*HEADER    CONOTOXIN                               08-OCT-99   1QMW
*TITLE     SOLUTION STRUCTURE OF ALPHA-CONOTOXIN SI
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN SI;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: SI (2-7,3-13);
*COMPND   5 OTHER_DETAILS: AMIDATED C-TERMINUS
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS STRIATUS;
*SOURCE   4 ORGANISM_COMMON: STRIATED CONE;
*SOURCE   5 ORGAN: VENOM DUCT;
*SOURCE   6 SECRETION: VENOM COMPONENT;
*SOURCE   7 OTHER_DETAILS: SYNTHESISED BY SOLID PHASE PEPTIDE CHEMISTRY
*KEYWDS    CONOTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR, TOXIN, VENOM
*EXPDTA    NMR, 36 STRUCTURES
*AUTHOR    A.J.BENIE,D.WHITFORD,B.HARGITTAI,G.BARANY,R.W.JANES
*REVDAT   1   13-OCT-99 1QMW    0




#NOE distance restraints in Dyana UPL format
  1 ILE  HA      1 ILE  HB      2.74                
  1 ILE  HA      1 ILE  QG2     3.58                
  1 ILE  HA      2 CYS  HN      2.65                
  1 ILE  HA      2 CYS  QB      6.38                
  1 ILE  HA     12 SER  HN      5.50                
  1 ILE  HA     12 SER  HB2     2.40                
  1 ILE  HA     12 SER  HB3     2.40                
  1 ILE  HB      1 ILE  QG1     2.65                
  1 ILE  HB      2 CYS  HN      2.91                
  1 ILE  HB     12 SER  QB      3.40                
  1 ILE  QG2     1 ILE  QD1     4.46                
  1 ILE  QG2    12 SER  QB      4.31                
  1 ILE  QG2    13 CYS  QB      6.63                
  1 ILE  QD1    13 CYS  QB      6.42                
  2 CYS  HN      2 CYS  QB      3.67                
  2 CYS  HN     12 SER  HN      2.90                
  2 CYS  HN     12 SER  QB      3.59                
  2 CYS  HA      2 CYS  QB      2.62                
  2 CYS  HA      3 CYS  HN      2.71                
  2 CYS  HB2    12 SER  HN      5.50                
  2 CYS  HB3    12 SER  HN      5.50                
  2 CYS  QB      7 CYS  QB      7.25                
  2 CYS  QB     11 TYR  HA      5.05                
  2 CYS  QB     11 TYR  QB      7.25                
  3 CYS  HN      3 CYS  HB2     3.33                
  3 CYS  HN      3 CYS  HB3     3.33                
  3 CYS  HN      3 CYS  QB      3.13                
  3 CYS  HN      4 ASN  HN      3.55                
  3 CYS  HA      4 ASN  HN      2.65                
  3 CYS  HA     11 TYR  QD      6.96                
  3 CYS  HA     11 TYR  QE      5.31                
  3 CYS  HA     12 SER  HN      3.61                
  3 CYS  HA     13 CYS  QB      5.51                
  3 CYS  HB2     4 ASN  HN      5.50                
  3 CYS  HB3     4 ASN  HN      5.50                
  3 CYS  QB      4 ASN  HN      5.07                
  4 ASN  HN      5 PRO  HA      5.50                
  4 ASN  HN      5 PRO  HD2     5.50                
  4 ASN  HN      5 PRO  HD3     5.50                
  4 ASN  HN      7 CYS  HN      5.50                
  4 ASN  HN      7 CYS  HB2     5.50                
  4 ASN  HN      7 CYS  HB3     5.50                
  4 ASN  HN      8 GLY  HN      5.50                
  4 ASN  HN     11 TYR  HA      3.70                
  4 ASN  HN     11 TYR  QD      7.39                
  4 ASN  HN     11 TYR  QE      7.07                
  4 ASN  HA      5 PRO  QG      5.72                
  4 ASN  HA      5 PRO  HD2     3.36                
  4 ASN  HA      5 PRO  HD3     3.36                
  4 ASN  HA      5 PRO  QD      2.79                
  4 ASN  HA      6 ALA  HN      4.48                
  4 ASN  HA     11 TYR  QE      7.63                
  4 ASN  QB      5 PRO  QD      4.56                
  4 ASN  QB      6 ALA  HN      3.52                
  4 ASN  QB      6 ALA  QB      6.23                
  4 ASN  QB      7 CYS  HN      4.02                
  4 ASN  QB      7 CYS  QB      5.64                
  4 ASN  QD2     6 ALA  HN      6.37                
  5 PRO  HA      8 GLY  HN      3.70                
  5 PRO  HA     11 TYR  QD      6.83                
  5 PRO  HA     11 TYR  QE      5.93                
  5 PRO  QB      6 ALA  HN      4.07                
  5 PRO  HD2    11 TYR  QE      7.63                
  5 PRO  HD3    11 TYR  QE      7.63                
  5 PRO  QD      6 ALA  HN      3.43                
  5 PRO  QD      6 ALA  QB      6.60                
  6 ALA  HN      6 ALA  QB      3.43                
  6 ALA  HN      7 CYS  HN      2.55                
  6 ALA  HN      7 CYS  HA      5.50                
  7 CYS  HN      7 CYS  HB2     3.64                
  7 CYS  HN      7 CYS  HB3     3.64                
  7 CYS  HN      7 CYS  QB      2.96                
  7 CYS  HN      8 GLY  HN      2.74                
  7 CYS  HN      8 GLY  HA1     5.50                
  7 CYS  HN      8 GLY  HA2     5.50                
  7 CYS  HN     11 TYR  HN      5.50                
  7 CYS  HA      9 PRO  QD      6.38                
  7 CYS  HA     10 LYS  QB      3.62                
  7 CYS  HB2    10 LYS  HN      3.59                
  7 CYS  HB2    11 TYR  HN      4.20                
  7 CYS  HB2    11 TYR  HA      3.17                
  7 CYS  HB2    11 TYR  QD      7.64                
  7 CYS  HB2    12 SER  HN      5.50                
  7 CYS  HB3    10 LYS  HN      3.59                
  7 CYS  HB3    11 TYR  HN      4.20                
  7 CYS  HB3    11 TYR  HA      3.17                
  7 CYS  HB3    11 TYR  QD      7.64                
  7 CYS  HB3    12 SER  HN      5.50                
  7 CYS  QB      8 GLY  HN      4.43                
  7 CYS  QB     10 LYS  HN      3.36                
  7 CYS  QB     10 LYS  QB      5.36                
  7 CYS  QB     11 TYR  HN      3.34                
  7 CYS  QB     11 TYR  HA      2.67                
  7 CYS  QB     11 TYR  QB      5.61                
  7 CYS  QB     11 TYR  QD      7.41                
  7 CYS  QB     12 SER  HN      5.20                
  8 GLY  HN      8 GLY  HA1     2.90                
  8 GLY  HN      8 GLY  HA2     2.90                
  8 GLY  HN      8 GLY  QA      2.54                
  8 GLY  HN      9 PRO  QD      6.38                
  8 GLY  HN     11 TYR  HN      5.50                
  8 GLY  HN     11 TYR  HB2     4.45                
  8 GLY  HN     11 TYR  HB3     4.45                
  8 GLY  HN     11 TYR  QB      4.00                
  8 GLY  HN     11 TYR  QD      6.86                
  8 GLY  HA1    10 LYS  HN      4.07                
  8 GLY  HA1    11 TYR  HN      5.50                
  8 GLY  HA2    10 LYS  HN      4.07                
  8 GLY  HA2    11 TYR  HN      5.50                
  8 GLY  QA      9 PRO  QD      3.14                
  8 GLY  QA     10 LYS  HN      3.79                
  9 PRO  HA     10 LYS  HN      3.39                
  9 PRO  HA     11 TYR  HN      5.50                
  9 PRO  HD2    10 LYS  HN      4.35                
  9 PRO  HD3    10 LYS  HN      4.35                
  9 PRO  QD     10 LYS  HN      3.94                
 10 LYS  HN     10 LYS  HB2     2.99                
 10 LYS  HN     10 LYS  HB3     2.99                
 10 LYS  HN     10 LYS  HG2     5.50                
 10 LYS  HN     10 LYS  HG3     5.50                
 10 LYS  HN     11 TYR  HN      2.40                
 10 LYS  HN     11 TYR  HA      4.31                
 10 LYS  HA     10 LYS  HG2     3.21                
 10 LYS  HA     10 LYS  HG3     3.21                
 10 LYS  HA     10 LYS  QG      2.87                
 10 LYS  HA     12 SER  HN      5.50                
 10 LYS  QB     10 LYS  QD      3.64                
 10 LYS  QB     11 TYR  HN      4.58                
 11 TYR  HN     11 TYR  HA      2.93                
 11 TYR  HN     11 TYR  HB2     3.14                
 11 TYR  HN     11 TYR  HB3     3.14                
 11 TYR  HN     11 TYR  QB      2.65                
 11 TYR  HN     11 TYR  QE      7.63                
 11 TYR  HN     12 SER  HN      5.50                
 11 TYR  HA     11 TYR  HB2     2.99                
 11 TYR  HA     11 TYR  HB3     2.99                
 11 TYR  HA     12 SER  HN      2.55                
 11 TYR  HB2    12 SER  HN      5.50                
 11 TYR  HB3    12 SER  HN      5.50                
 11 TYR  QD     12 SER  HN      4.54                
 11 TYR  QD     12 SER  HA      6.99                
 11 TYR  QD     13 CYS  HN      6.52                
 11 TYR  QD     13 CYS  HA      7.64                
 11 TYR  QD     13 CYS  QB      7.40                
 11 TYR  QE     13 CYS  HN      7.63                
 11 TYR  QE     13 CYS  QB      5.44                
 12 SER  HN     12 SER  HB2     4.07                
 12 SER  HN     12 SER  HB3     4.07                
 12 SER  HN     12 SER  QB      3.63                
 12 SER  HN     13 CYS  HN      3.64                
 12 SER  HN     13 CYS  HA      5.50                
 12 SER  HN     13 CYS  QB      6.38                
 12 SER  HA     13 CYS  HN      2.46                
 12 SER  HA     14 NH2  HN1     4.63                
 12 SER  HB2    13 CYS  HN      5.50                
 12 SER  HB3    13 CYS  HN      5.50                
 13 CYS  HN     13 CYS  HB2     3.45                
 13 CYS  HN     13 CYS  HB3     3.45                
 13 CYS  HN     13 CYS  QB      3.00                
 13 CYS  HN     14 NH2  HN1     2.96                
 13 CYS  HA     14 NH2  HN1     3.45                
 13 CYS  QB     14 NH2  HN1     6.38                
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H1       ILE   1   0.663   6.108  -3.739
    2    H2   ILE   1           H2       ILE   1   1.943   6.807  -2.954
    3    H3   ILE   1           H3       ILE   1   2.146   5.371  -3.752
    4    HA   ILE   1           HA       ILE   1   2.046   4.710  -1.606
    5    HB   ILE   1           HB       ILE   1   0.056   5.654  -0.198
    6   1HG1  ILE   1          1HG1      ILE   1   0.400   7.889  -2.238
    7   2HG1  ILE   1          2HG1      ILE   1  -0.977   6.760  -2.233
    8   1HG2  ILE   1          1HG2      ILE   1   2.756   6.375  -0.568
    9   2HG2  ILE   1          2HG2      ILE   1   1.866   7.917  -0.546
   10   3HG2  ILE   1          3HG2      ILE   1   1.723   6.788   0.822
   11   1HD1  ILE   1          1HD1      ILE   1  -0.367   8.010   0.391
   12   2HD1  ILE   1          2HD1      ILE   1  -0.930   9.137  -0.865
   13   3HD1  ILE   1          3HD1      ILE   1  -1.934   7.741  -0.407
   14    H    CYS   2           H        CYS   2   0.142   3.466  -0.364
   15    HA   CYS   2           HA       CYS   2  -2.033   2.752  -2.063
   16   1HB   CYS   2          1HB       CYS   2  -0.058   1.464  -2.996
   17   2HB   CYS   2          2HB       CYS   2  -0.017   0.581  -1.482
   18    H    CYS   3           H        CYS   3  -3.621   2.778  -0.508
   19    HA   CYS   3           HA       CYS   3  -2.889   1.955   2.179
   20   1HB   CYS   3          1HB       CYS   3  -4.097   4.129   1.664
   21   2HB   CYS   3          2HB       CYS   3  -5.503   3.160   1.273
   22    H    ASN   4           H        ASN   4  -2.689  -0.330   1.095
   23    HA   ASN   4           HA       ASN   4  -5.166  -1.658   1.633
   24   1HB   ASN   4          1HB       ASN   4  -4.424  -1.093  -1.069
   25   2HB   ASN   4          2HB       ASN   4  -4.045  -2.788  -0.830
   26   2HD2  ASN   4          1HD2      ASN   4  -5.881  -2.453  -2.583
   27   1HD2  ASN   4          2HD2      ASN   4  -7.488  -2.763  -2.015
   28    HA   PRO   5           HA       PRO   5  -2.182  -4.596   2.936
   29   1HB   PRO   5          1HB       PRO   5  -3.681  -6.873   3.122
   30   2HB   PRO   5          2HB       PRO   5  -3.680  -5.624   4.351
   31   1HG   PRO   5          2HG       PRO   5  -5.897  -5.299   3.806
   32   2HG   PRO   5          1HG       PRO   5  -5.749  -6.233   2.330
   33   1HD   PRO   5          1HD       PRO   5  -5.711  -4.269   1.136
   34   2HD   PRO   5          2HD       PRO   5  -5.742  -3.336   2.619
   35    H    ALA   6           H        ALA   6  -4.023  -5.342   0.091
   36    HA   ALA   6           HA       ALA   6  -2.357  -7.466  -0.738
   37   1HB   ALA   6          2HB       ALA   6  -4.136  -5.615  -2.376
   38   2HB   ALA   6          1HB       ALA   6  -4.702  -7.057  -1.499
   39   3HB   ALA   6          3HB       ALA   6  -3.557  -7.231  -2.851
   40    H    CYS   7           H        CYS   7  -1.782  -4.131  -0.374
   41    HA   CYS   7           HA       CYS   7  -0.192  -3.746  -2.692
   42   1HB   CYS   7          1HB       CYS   7  -0.173  -2.173  -0.109
   43   2HB   CYS   7          2HB       CYS   7   0.476  -1.662  -1.654
   44    H    GLY   8           H        GLY   8   0.218  -5.043   0.589
   45   1HA   GLY   8          1HA       GLY   8   1.989  -5.892   1.688
   46   2HA   GLY   8          2HA       GLY   8   2.517  -6.449   0.113
   47    HA   PRO   9           HA       PRO   9   5.894  -3.755   0.677
   48   1HB   PRO   9          1HB       PRO   9   7.152  -4.165  -1.715
   49   2HB   PRO   9          2HB       PRO   9   7.335  -5.236  -0.340
   50   1HG   PRO   9          1HG       PRO   9   5.769  -5.647  -2.813
   51   2HG   PRO   9          2HG       PRO   9   6.308  -6.836  -1.645
   52   1HD   PRO   9          1HD       PRO   9   3.656  -5.774  -1.916
   53   2HD   PRO   9          2HD       PRO   9   4.222  -6.876  -0.676
   54    H    LYS  10           H        LYS  10   3.251  -3.125  -1.009
   55    HA   LYS  10           HA       LYS  10   4.395  -0.620  -2.031
   56   1HB   LYS  10          1HB       LYS  10   3.469  -2.274  -3.726
   57   2HB   LYS  10          2HB       LYS  10   1.886  -1.985  -3.035
   58   1HG   LYS  10          1HG       LYS  10   2.684   0.601  -3.379
   59   2HG   LYS  10          2HG       LYS  10   3.616  -0.149  -4.660
   60   1HD   LYS  10          1HD       LYS  10   1.134  -1.357  -4.990
   61   2HD   LYS  10          2HD       LYS  10   0.679   0.244  -4.442
   62   1HE   LYS  10          1HE       LYS  10   2.707  -0.167  -6.680
   63   2HE   LYS  10          2HE       LYS  10   0.986  -0.089  -6.998
   64   1HZ   LYS  10          1HZ       LYS  10   2.242   2.007  -5.411
   65   2HZ   LYS  10          2HZ       LYS  10   2.373   2.040  -7.039
   66   3HZ   LYS  10          3HZ       LYS  10   0.898   2.083  -6.337
   67    H    TYR  11           H        TYR  11   2.718  -1.993   0.509
   68    HA   TYR  11           HA       TYR  11   0.545  -0.234   0.803
   69   1HB   TYR  11          1HB       TYR  11   0.941  -2.444   1.980
   70   2HB   TYR  11          2HB       TYR  11   2.359  -1.776   2.763
   71    HD1  TYR  11           HD1      TYR  11  -1.084  -0.352   2.315
   72    HD2  TYR  11           HD2      TYR  11   1.918  -1.701   5.049
   73    HE1  TYR  11           HE1      TYR  11  -2.516   0.407   4.273
   74    HE2  TYR  11           HE2      TYR  11   0.474  -0.938   6.998
   75    HH   TYR  11           HH       TYR  11  -2.795  -0.090   6.595
   76    H    SER  12           H        SER  12   0.599   1.934   1.094
   77    HA   SER  12           HA       SER  12   2.583   2.943   2.938
   78   1HB   SER  12          1HB       SER  12   2.804   3.276   0.115
   79   2HB   SER  12          2HB       SER  12   2.273   4.825   0.738
   80    HG   SER  12           HG       SER  12   4.206   5.153   1.601
   81    H    CYS  13           H        CYS  13   0.523   2.944   4.241
   82    HA   CYS  13           HA       CYS  13  -0.812   5.478   3.859
   83   1HB   CYS  13          1HB       CYS  13  -2.298   4.095   2.621
   84   2HB   CYS  13          2HB       CYS  13  -2.269   2.836   3.839

  No H/Q in entry =          84
  Start of MODEL    2
    1    H1   ILE   1           H1       ILE   1   0.697   6.266  -3.598
    2    H2   ILE   1           H2       ILE   1   1.901   7.029  -2.755
    3    H3   ILE   1           H3       ILE   1   2.220   5.617  -3.559
    4    HA   ILE   1           HA       ILE   1   2.061   4.868  -1.467
    5    HB   ILE   1           HB       ILE   1   0.062   5.770  -0.043
    6   1HG1  ILE   1          1HG1      ILE   1   0.428   8.125  -1.926
    7   2HG1  ILE   1          2HG1      ILE   1  -0.886   6.942  -2.134
    8   1HG2  ILE   1          1HG2      ILE   1   2.762   6.492  -0.364
    9   2HG2  ILE   1          2HG2      ILE   1   1.881   8.039  -0.326
   10   3HG2  ILE   1          3HG2      ILE   1   1.715   6.886   1.019
   11   1HD1  ILE   1          1HD1      ILE   1  -1.592   7.384   0.233
   12   2HD1  ILE   1          2HD1      ILE   1  -0.350   8.656   0.328
   13   3HD1  ILE   1          3HD1      ILE   1  -1.708   8.823  -0.809
   14    H    CYS   2           H        CYS   2   0.124   3.614  -0.258
   15    HA   CYS   2           HA       CYS   2  -2.031   2.936  -1.993
   16   1HB   CYS   2          1HB       CYS   2  -0.051   1.671  -2.946
   17   2HB   CYS   2          2HB       CYS   2  -0.020   0.749  -1.456
   18    H    CYS   3           H        CYS   3  -3.629   2.919  -0.446
   19    HA   CYS   3           HA       CYS   3  -2.912   2.023   2.222
   20   1HB   CYS   3          1HB       CYS   3  -4.114   4.215   1.756
   21   2HB   CYS   3          2HB       CYS   3  -5.522   3.259   1.339
   22    H    ASN   4           H        ASN   4  -2.713  -0.232   1.084
   23    HA   ASN   4           HA       ASN   4  -5.197  -1.567   1.570
   24   1HB   ASN   4          1HB       ASN   4  -4.440  -0.931  -1.112
   25   2HB   ASN   4          2HB       ASN   4  -4.067  -2.631  -0.917
   26   2HD2  ASN   4          1HD2      ASN   4  -5.621  -3.910  -1.525
   27   1HD2  ASN   4          2HD2      ASN   4  -7.326  -3.651  -1.373
   28    HA   PRO   5           HA       PRO   5  -2.229  -4.550   2.808
   29   1HB   PRO   5          1HB       PRO   5  -3.737  -6.826   2.920
   30   2HB   PRO   5          2HB       PRO   5  -3.739  -5.612   4.184
   31   1HG   PRO   5          2HG       PRO   5  -5.952  -5.266   3.635
   32   2HG   PRO   5          1HG       PRO   5  -5.798  -6.158   2.134
   33   1HD   PRO   5          1HD       PRO   5  -5.747  -4.162   0.995
   34   2HD   PRO   5          2HD       PRO   5  -5.784  -3.271   2.504
   35    H    ALA   6           H        ALA   6  -4.056  -5.212  -0.069
   36    HA   ALA   6           HA       ALA   6  -2.391  -7.315  -0.948
   37   1HB   ALA   6          3HB       ALA   6  -4.461  -7.304  -1.984
   38   2HB   ALA   6          1HB       ALA   6  -4.510  -5.530  -2.110
   39   3HB   ALA   6          2HB       ALA   6  -3.489  -6.474  -3.221
   40    H    CYS   7           H        CYS   7  -1.812  -3.991  -0.490
   41    HA   CYS   7           HA       CYS   7  -0.207  -3.544  -2.785
   42   1HB   CYS   7          2HB       CYS   7   0.463  -1.495  -1.681
   43   2HB   CYS   7          1HB       CYS   7  -0.196  -2.050  -0.156
   44    H    GLY   8           H        GLY   8   0.184  -4.937   0.460
   45   1HA   GLY   8          1HA       GLY   8   1.947  -5.821   1.544
   46   2HA   GLY   8          2HA       GLY   8   2.477  -6.340  -0.044
   47    HA   PRO   9           HA       PRO   9   5.866  -3.679   0.600
   48   1HB   PRO   9          1HB       PRO   9   7.127  -4.027  -1.799
   49   2HB   PRO   9          2HB       PRO   9   7.302  -5.137  -0.454
   50   1HG   PRO   9          2HG       PRO   9   6.270  -6.695  -1.806
   51   2HG   PRO   9          1HG       PRO   9   5.740  -5.470  -2.942
   52   1HD   PRO   9          1HD       PRO   9   3.624  -5.614  -2.053
   53   2HD   PRO   9          2HD       PRO   9   4.182  -6.751  -0.843
   54    H    LYS  10           H        LYS  10   3.229  -2.990  -1.075
   55    HA   LYS  10           HA       LYS  10   4.387  -0.461  -2.023
   56   1HB   LYS  10          1HB       LYS  10   3.458  -2.067  -3.764
   57   2HB   LYS  10          2HB       LYS  10   1.874  -1.781  -3.073
   58   1HG   LYS  10          1HG       LYS  10   2.761   0.808  -3.350
   59   2HG   LYS  10          2HG       LYS  10   3.598   0.048  -4.688
   60   1HD   LYS  10          1HD       LYS  10   0.850  -0.912  -4.598
   61   2HD   LYS  10          2HD       LYS  10   0.855   0.840  -4.573
   62   1HE   LYS  10          2HE       LYS  10   2.502   0.746  -6.556
   63   2HE   LYS  10          1HE       LYS  10   0.852   0.262  -6.894
   64   1HZ   LYS  10          1HZ       LYS  10   1.558  -2.037  -6.549
   65   2HZ   LYS  10          2HZ       LYS  10   2.360  -1.327  -7.782
   66   3HZ   LYS  10          3HZ       LYS  10   3.102  -1.546  -6.345
   67    H    TYR  11           H        TYR  11   2.693  -1.899   0.471
   68    HA   TYR  11           HA       TYR  11   0.526  -0.144   0.808
   69   1HB   TYR  11          1HB       TYR  11   0.917  -2.385   1.926
   70   2HB   TYR  11          2HB       TYR  11   2.332  -1.738   2.732
   71    HD1  TYR  11           HD1      TYR  11  -1.218  -0.561   2.320
   72    HD2  TYR  11           HD2      TYR  11   1.989  -1.466   5.004
   73    HE1  TYR  11           HE1      TYR  11  -2.659   0.147   4.292
   74    HE2  TYR  11           HE2      TYR  11   0.537  -0.755   6.967
   75    HH   TYR  11           HH       TYR  11  -1.324   0.557   7.442
   76    H    SER  12           H        SER  12   0.585   2.016   1.155
   77    HA   SER  12           HA       SER  12   2.565   2.972   3.031
   78   1HB   SER  12          1HB       SER  12   2.792   3.381   0.216
   79   2HB   SER  12          2HB       SER  12   2.269   4.915   0.886
   80    HG   SER  12           HG       SER  12   4.551   3.365   1.778
   81    H    CYS  13           H        CYS  13   0.499   2.943   4.327
   82    HA   CYS  13           HA       CYS  13  -0.827   5.491   4.008
   83   1HB   CYS  13          1HB       CYS  13  -2.311   4.146   2.724
   84   2HB   CYS  13          2HB       CYS  13  -2.293   2.856   3.909

  No H/Q in entry =          84
  Start of MODEL    3
    1    H1   ILE   1           H1       ILE   1   0.864   6.034  -3.774
    2    H2   ILE   1           H2       ILE   1   1.964   6.910  -2.899
    3    H3   ILE   1           H3       ILE   1   2.421   5.492  -3.622
    4    HA   ILE   1           HA       ILE   1   2.176   4.747  -1.558
    5    HB   ILE   1           HB       ILE   1   0.151   5.679  -0.188
    6   1HG1  ILE   1          1HG1      ILE   1   0.558   8.058  -2.011
    7   2HG1  ILE   1          2HG1      ILE   1  -0.671   6.829  -2.396
    8   1HG2  ILE   1          1HG2      ILE   1   2.835   6.300  -0.352
    9   2HG2  ILE   1          2HG2      ILE   1   2.076   7.892  -0.592
   10   3HG2  ILE   1          3HG2      ILE   1   1.718   6.946   0.872
   11   1HD1  ILE   1          1HD1      ILE   1  -0.907   7.426   0.390
   12   2HD1  ILE   1          2HD1      ILE   1  -0.814   8.977  -0.478
   13   3HD1  ILE   1          3HD1      ILE   1  -2.067   7.789  -0.911
   14    H    CYS   2           H        CYS   2   0.198   3.538  -0.348
   15    HA   CYS   2           HA       CYS   2  -1.920   2.817  -2.105
   16   1HB   CYS   2          1HB       CYS   2   0.074   1.528  -2.996
   17   2HB   CYS   2          2HB       CYS   2   0.079   0.639  -1.486
   18    H    CYS   3           H        CYS   3  -3.537   2.857  -0.578
   19    HA   CYS   3           HA       CYS   3  -2.868   2.009   2.118
   20   1HB   CYS   3          1HB       CYS   3  -4.046   4.198   1.594
   21   2HB   CYS   3          2HB       CYS   3  -5.452   3.244   1.165
   22    H    ASN   4           H        ASN   4  -2.665  -0.271   1.025
   23    HA   ASN   4           HA       ASN   4  -5.167  -1.580   1.501
   24   1HB   ASN   4          1HB       ASN   4  -4.357  -1.008  -1.180
   25   2HB   ASN   4          2HB       ASN   4  -3.999  -2.706  -0.942
   26   2HD2  ASN   4          1HD2      ASN   4  -5.550  -4.011  -1.500
   27   1HD2  ASN   4          2HD2      ASN   4  -7.256  -3.730  -1.401
   28    HA   PRO   5           HA       PRO   5  -2.240  -4.552   2.857
   29   1HB   PRO   5          1HB       PRO   5  -3.766  -6.815   2.997
   30   2HB   PRO   5          2HB       PRO   5  -3.780  -5.572   4.232
   31   1HG   PRO   5          2HG       PRO   5  -5.981  -5.224   3.638
   32   2HG   PRO   5          1HG       PRO   5  -5.809  -6.151   2.161
   33   1HD   PRO   5          1HD       PRO   5  -5.725  -4.182   0.977
   34   2HD   PRO   5          2HD       PRO   5  -5.781  -3.256   2.465
   35    H    ALA   6           H        ALA   6  -4.023  -5.266  -0.034
   36    HA   ALA   6           HA       ALA   6  -2.359  -7.401  -0.836
   37   1HB   ALA   6          3HB       ALA   6  -4.444  -7.367  -1.874
   38   2HB   ALA   6          1HB       ALA   6  -4.412  -5.604  -2.116
   39   3HB   ALA   6          2HB       ALA   6  -3.412  -6.661  -3.140
   40    H    CYS   7           H        CYS   7  -1.761  -4.072  -0.444
   41    HA   CYS   7           HA       CYS   7  -0.115  -3.689  -2.720
   42   1HB   CYS   7          2HB       CYS   7   0.552  -1.620  -1.653
   43   2HB   CYS   7          1HB       CYS   7  -0.136  -2.136  -0.125
   44    H    GLY   8           H        GLY   8   0.210  -5.010   0.562
   45   1HA   GLY   8          1HA       GLY   8   1.949  -5.883   1.695
   46   2HA   GLY   8          2HA       GLY   8   2.501  -6.441   0.129
   47    HA   PRO   9           HA       PRO   9   5.900  -3.791   0.768
   48   1HB   PRO   9          1HB       PRO   9   7.197  -4.205  -1.602
   49   2HB   PRO   9          2HB       PRO   9   7.341  -5.285  -0.230
   50   1HG   PRO   9          1HG       PRO   9   5.817  -5.663  -2.735
   51   2HG   PRO   9          2HG       PRO   9   6.319  -6.866  -1.563
   52   1HD   PRO   9          1HD       PRO   9   3.686  -5.771  -1.878
   53   2HD   PRO   9          2HD       PRO   9   4.216  -6.884  -0.633
   54    H    LYS  10           H        LYS  10   3.296  -3.123  -0.967
   55    HA   LYS  10           HA       LYS  10   4.489  -0.624  -1.950
   56   1HB   LYS  10          1HB       LYS  10   3.605  -2.230  -3.690
   57   2HB   LYS  10          2HB       LYS  10   2.005  -1.989  -3.017
   58   1HG   LYS  10          1HG       LYS  10   2.819   0.626  -3.299
   59   2HG   LYS  10          2HG       LYS  10   3.689  -0.118  -4.625
   60   1HD   LYS  10          1HD       LYS  10   1.577  -1.094  -5.498
   61   2HD   LYS  10          2HD       LYS  10   0.689  -0.432  -4.142
   62   1HE   LYS  10          1HE       LYS  10   0.721   1.725  -4.985
   63   2HE   LYS  10          2HE       LYS  10   2.321   1.548  -5.681
   64   1HZ   LYS  10          1HZ       LYS  10   1.053  -0.094  -7.224
   65   2HZ   LYS  10          2HZ       LYS  10  -0.245   0.805  -6.803
   66   3HZ   LYS  10          3HZ       LYS  10   1.039   1.511  -7.524
   67    H    TYR  11           H        TYR  11   2.743  -1.993   0.545
   68    HA   TYR  11           HA       TYR  11   0.581  -0.220   0.803
   69   1HB   TYR  11          1HB       TYR  11   0.941  -2.435   1.981
   70   2HB   TYR  11          2HB       TYR  11   2.345  -1.777   2.795
   71    HD1  TYR  11           HD1      TYR  11  -1.129  -0.438   2.283
   72    HD2  TYR  11           HD2      TYR  11   1.905  -1.601   5.065
   73    HE1  TYR  11           HE1      TYR  11  -2.597   0.324   4.213
   74    HE2  TYR  11           HE2      TYR  11   0.427  -0.835   6.987
   75    HH   TYR  11           HH       TYR  11  -2.501  -0.576   7.012
   76    H    SER  12           H        SER  12   0.640   1.946   1.103
   77    HA   SER  12           HA       SER  12   2.597   2.939   2.985
   78   1HB   SER  12          1HB       SER  12   2.861   3.285   0.164
   79   2HB   SER  12          2HB       SER  12   2.341   4.835   0.795
   80    HG   SER  12           HG       SER  12   4.465   5.027   1.171
   81    H    CYS  13           H        CYS  13   0.517   2.951   4.255
   82    HA   CYS  13           HA       CYS  13  -0.799   5.492   3.856
   83   1HB   CYS  13          1HB       CYS  13  -2.270   4.119   2.589
   84   2HB   CYS  13          2HB       CYS  13  -2.269   2.857   3.805

  No H/Q in entry =          84
  Start of MODEL    4
    1    H1   ILE   1           H1       ILE   1   0.808   6.140  -3.706
    2    H2   ILE   1           H2       ILE   1   1.973   6.948  -2.850
    3    H3   ILE   1           H3       ILE   1   2.343   5.527  -3.616
    4    HA   ILE   1           HA       ILE   1   2.144   4.799  -1.525
    5    HB   ILE   1           HB       ILE   1   0.120   5.717  -0.144
    6   1HG1  ILE   1          1HG1      ILE   1   0.511   8.113  -1.945
    7   2HG1  ILE   1          2HG1      ILE   1  -0.704   6.877  -2.354
    8   1HG2  ILE   1          1HG2      ILE   1   2.828   6.466  -0.467
    9   2HG2  ILE   1          2HG2      ILE   1   1.916   7.993  -0.400
   10   3HG2  ILE   1          3HG2      ILE   1   1.776   6.814   0.926
   11   1HD1  ILE   1          1HD1      ILE   1  -1.464   7.149   0.137
   12   2HD1  ILE   1          2HD1      ILE   1  -0.569   8.687   0.067
   13   3HD1  ILE   1          3HD1      ILE   1  -1.931   8.398  -1.042
   14    H    CYS   2           H        CYS   2   0.164   3.586  -0.312
   15    HA   CYS   2           HA       CYS   2  -1.954   2.864  -2.067
   16   1HB   CYS   2          1HB       CYS   2   0.040   1.588  -2.975
   17   2HB   CYS   2          2HB       CYS   2   0.054   0.689  -1.471
   18    H    CYS   3           H        CYS   3  -3.566   2.885  -0.535
   19    HA   CYS   3           HA       CYS   3  -2.882   2.023   2.154
   20   1HB   CYS   3          1HB       CYS   3  -4.070   4.212   1.647
   21   2HB   CYS   3          2HB       CYS   3  -5.475   3.255   1.220
   22    H    ASN   4           H        ASN   4  -2.677  -0.249   1.045
   23    HA   ASN   4           HA       ASN   4  -5.174  -1.568   1.520
   24   1HB   ASN   4          1HB       ASN   4  -4.373  -0.977  -1.159
   25   2HB   ASN   4          2HB       ASN   4  -4.009  -2.677  -0.933
   26   2HD2  ASN   4          1HD2      ASN   4  -5.562  -4.048  -1.324
   27   1HD2  ASN   4          2HD2      ASN   4  -7.268  -3.749  -1.278
   28    HA   PRO   5           HA       PRO   5  -2.234  -4.540   2.850
   29   1HB   PRO   5          1HB       PRO   5  -3.752  -6.810   2.978
   30   2HB   PRO   5          2HB       PRO   5  -3.767  -5.574   4.221
   31   1HG   PRO   5          2HG       PRO   5  -5.971  -5.229   3.635
   32   2HG   PRO   5          1HG       PRO   5  -5.799  -6.146   2.151
   33   1HD   PRO   5          1HD       PRO   5  -5.724  -4.169   0.981
   34   2HD   PRO   5          2HD       PRO   5  -5.781  -3.254   2.475
   35    H    ALA   6           H        ALA   6  -4.022  -5.241  -0.043
   36    HA   ALA   6           HA       ALA   6  -2.351  -7.366  -0.862
   37   1HB   ALA   6          3HB       ALA   6  -4.539  -7.210  -1.793
   38   2HB   ALA   6          1HB       ALA   6  -4.303  -5.509  -2.260
   39   3HB   ALA   6          2HB       ALA   6  -3.428  -6.798  -3.121
   40    H    CYS   7           H        CYS   7  -1.763  -4.038  -0.447
   41    HA   CYS   7           HA       CYS   7  -0.125  -3.636  -2.727
   42   1HB   CYS   7          1HB       CYS   7  -0.150  -2.095  -0.124
   43   2HB   CYS   7          2HB       CYS   7   0.536  -1.568  -1.649
   44    H    GLY   8           H        GLY   8   0.211  -4.977   0.545
   45   1HA   GLY   8          1HA       GLY   8   1.957  -5.842   1.673
   46   2HA   GLY   8          2HA       GLY   8   2.504  -6.396   0.104
   47    HA   PRO   9           HA       PRO   9   5.899  -3.738   0.730
   48   1HB   PRO   9          1HB       PRO   9   7.182  -4.136  -1.650
   49   2HB   PRO   9          2HB       PRO   9   7.338  -5.223  -0.284
   50   1HG   PRO   9          2HG       PRO   9   6.310  -6.801  -1.617
   51   2HG   PRO   9          1HG       PRO   9   5.798  -5.593  -2.780
   52   1HD   PRO   9          1HD       PRO   9   3.674  -5.710  -1.911
   53   2HD   PRO   9          2HD       PRO   9   4.214  -6.829  -0.675
   54    H    LYS  10           H        LYS  10   3.283  -3.067  -0.980
   55    HA   LYS  10           HA       LYS  10   4.462  -0.559  -1.959
   56   1HB   LYS  10          1HB       LYS  10   3.575  -2.155  -3.705
   57   2HB   LYS  10          2HB       LYS  10   1.979  -1.931  -3.020
   58   1HG   LYS  10          1HG       LYS  10   2.743   0.689  -3.285
   59   2HG   LYS  10          2HG       LYS  10   3.654  -0.021  -4.604
   60   1HD   LYS  10          1HD       LYS  10   0.991  -1.151  -4.641
   61   2HD   LYS  10          2HD       LYS  10   0.841   0.591  -4.511
   62   1HE   LYS  10          1HE       LYS  10   2.849   0.345  -6.418
   63   2HE   LYS  10          2HE       LYS  10   1.854  -1.054  -6.772
   64   1HZ   LYS  10          1HZ       LYS  10   0.066   0.926  -6.379
   65   2HZ   LYS  10          2HZ       LYS  10   1.275   1.690  -7.164
   66   3HZ   LYS  10          3HZ       LYS  10   0.571   0.377  -7.831
   67    H    TYR  11           H        TYR  11   2.728  -1.951   0.535
   68    HA   TYR  11           HA       TYR  11   0.564  -0.185   0.815
   69   1HB   TYR  11          1HB       TYR  11   0.938  -2.407   1.977
   70   2HB   TYR  11          2HB       TYR  11   2.343  -1.746   2.791
   71    HD1  TYR  11           HD1      TYR  11  -1.081  -0.296   2.294
   72    HD2  TYR  11           HD2      TYR  11   1.852  -1.712   5.069
   73    HE1  TYR  11           HE1      TYR  11  -2.546   0.448   4.234
   74    HE2  TYR  11           HE2      TYR  11   0.376  -0.963   6.999
   75    HH   TYR  11           HH       TYR  11  -2.208  -0.624   7.260
   76    H    SER  12           H        SER  12   0.621   1.981   1.126
   77    HA   SER  12           HA       SER  12   2.581   2.967   3.006
   78   1HB   SER  12          1HB       SER  12   2.832   3.330   0.186
   79   2HB   SER  12          2HB       SER  12   2.317   4.876   0.831
   80    HG   SER  12           HG       SER  12   4.395   3.487   2.211
   81    H    CYS  13           H        CYS  13   0.507   2.968   4.284
   82    HA   CYS  13           HA       CYS  13  -0.816   5.508   3.903
   83   1HB   CYS  13          1HB       CYS  13  -2.291   4.144   2.634
   84   2HB   CYS  13          2HB       CYS  13  -2.278   2.871   3.838

  No H/Q in entry =          84
  Start of MODEL    5
    1    H1   ILE   1           H1       ILE   1   0.768   6.319  -3.518
    2    H2   ILE   1           H2       ILE   1   2.111   6.902  -2.746
    3    H3   ILE   1           H3       ILE   1   2.197   5.488  -3.604
    4    HA   ILE   1           HA       ILE   1   2.131   4.808  -1.441
    5    HB   ILE   1           HB       ILE   1   0.144   5.734  -0.023
    6   1HG1  ILE   1          1HG1      ILE   1  -0.429   8.089  -0.662
    7   2HG1  ILE   1          2HG1      ILE   1   0.435   7.849  -2.199
    8   1HG2  ILE   1          1HG2      ILE   1   2.850   6.539  -0.457
    9   2HG2  ILE   1          2HG2      ILE   1   1.890   8.020  -0.230
   10   3HG2  ILE   1          3HG2      ILE   1   1.870   6.747   1.013
   11   1HD1  ILE   1          1HD1      ILE   1  -1.653   5.834  -1.414
   12   2HD1  ILE   1          2HD1      ILE   1  -2.197   7.422  -2.004
   13   3HD1  ILE   1          3HD1      ILE   1  -1.167   6.396  -3.033
   14    H    CYS   2           H        CYS   2   0.185   3.575  -0.231
   15    HA   CYS   2           HA       CYS   2  -1.974   2.905  -1.963
   16   1HB   CYS   2          1HB       CYS   2  -0.002   1.621  -2.911
   17   2HB   CYS   2          2HB       CYS   2   0.022   0.705  -1.418
   18    H    CYS   3           H        CYS   3  -3.571   2.909  -0.416
   19    HA   CYS   3           HA       CYS   3  -2.862   2.019   2.255
   20   1HB   CYS   3          1HB       CYS   3  -4.048   4.218   1.778
   21   2HB   CYS   3          2HB       CYS   3  -5.463   3.266   1.367
   22    H    ASN   4           H        ASN   4  -2.678  -0.243   1.126
   23    HA   ASN   4           HA       ASN   4  -5.173  -1.557   1.615
   24   1HB   ASN   4          1HB       ASN   4  -4.404  -0.941  -1.068
   25   2HB   ASN   4          2HB       ASN   4  -4.041  -2.644  -0.863
   26   2HD2  ASN   4          1HD2      ASN   4  -5.605  -3.822  -1.643
   27   1HD2  ASN   4          2HD2      ASN   4  -7.308  -3.585  -1.436
   28    HA   PRO   5           HA       PRO   5  -2.229  -4.555   2.878
   29   1HB   PRO   5          1HB       PRO   5  -3.754  -6.820   2.998
   30   2HB   PRO   5          2HB       PRO   5  -3.751  -5.600   4.255
   31   1HG   PRO   5          1HG       PRO   5  -5.808  -6.141   2.202
   32   2HG   PRO   5          2HG       PRO   5  -5.960  -5.240   3.698
   33   1HD   PRO   5          1HD       PRO   5  -5.739  -4.152   1.053
   34   2HD   PRO   5          2HD       PRO   5  -5.775  -3.253   2.557
   35    H    ALA   6           H        ALA   6  -4.051  -5.216  -0.002
   36    HA   ALA   6           HA       ALA   6  -2.398  -7.338  -0.863
   37   1HB   ALA   6          3HB       ALA   6  -4.641  -7.090  -1.721
   38   2HB   ALA   6          1HB       ALA   6  -4.297  -5.441  -2.295
   39   3HB   ALA   6          2HB       ALA   6  -3.515  -6.837  -3.075
   40    H    CYS   7           H        CYS   7  -1.795  -4.016  -0.420
   41    HA   CYS   7           HA       CYS   7  -0.180  -3.596  -2.713
   42   1HB   CYS   7          2HB       CYS   7   0.493  -1.539  -1.626
   43   2HB   CYS   7          1HB       CYS   7  -0.177  -2.076  -0.099
   44    H    GLY   8           H        GLY   8   0.182  -4.973   0.537
   45   1HA   GLY   8          1HA       GLY   8   1.939  -5.846   1.645
   46   2HA   GLY   8          2HA       GLY   8   2.468  -6.391   0.065
   47    HA   PRO   9           HA       PRO   9   5.877  -3.747   0.673
   48   1HB   PRO   9          1HB       PRO   9   7.130  -4.127  -1.726
   49   2HB   PRO   9          2HB       PRO   9   7.298  -5.226  -0.371
   50   1HG   PRO   9          1HG       PRO   9   5.728  -5.569  -2.853
   51   2HG   PRO   9          2HG       PRO   9   6.252  -6.789  -1.707
   52   1HD   PRO   9          1HD       PRO   9   3.615  -5.688  -1.959
   53   2HD   PRO   9          2HD       PRO   9   4.166  -6.820  -0.740
   54    H    LYS  10           H        LYS  10   3.242  -3.052  -1.000
   55    HA   LYS  10           HA       LYS  10   4.417  -0.540  -1.971
   56   1HB   LYS  10          1HB       LYS  10   3.493  -2.130  -3.712
   57   2HB   LYS  10          2HB       LYS  10   1.908  -1.880  -3.011
   58   1HG   LYS  10          1HG       LYS  10   2.675   0.724  -3.277
   59   2HG   LYS  10          2HG       LYS  10   3.618   0.025  -4.579
   60   1HD   LYS  10          1HD       LYS  10   0.991  -1.135  -4.726
   61   2HD   LYS  10          2HD       LYS  10   0.777   0.590  -4.508
   62   1HE   LYS  10          1HE       LYS  10   2.901  -0.144  -6.466
   63   2HE   LYS  10          2HE       LYS  10   1.286  -0.637  -6.936
   64   1HZ   LYS  10          1HZ       LYS  10   1.167   1.948  -5.919
   65   2HZ   LYS  10          2HZ       LYS  10   2.368   1.899  -7.025
   66   3HZ   LYS  10          3HZ       LYS  10   0.855   1.444  -7.440
   67    H    TYR  11           H        TYR  11   2.709  -1.949   0.531
   68    HA   TYR  11           HA       TYR  11   0.558  -0.173   0.854
   69   1HB   TYR  11          1HB       TYR  11   0.925  -2.411   1.985
   70   2HB   TYR  11          2HB       TYR  11   2.344  -1.773   2.791
   71    HD1  TYR  11           HD1      TYR  11  -1.179  -0.526   2.361
   72    HD2  TYR  11           HD2      TYR  11   1.984  -1.525   5.064
   73    HE1  TYR  11           HE1      TYR  11  -2.617   0.206   4.326
   74    HE2  TYR  11           HE2      TYR  11   0.534  -0.790   7.019
   75    HH   TYR  11           HH       TYR  11  -2.611  -0.525   6.930
   76    H    SER  12           H        SER  12   0.634   1.988   1.192
   77    HA   SER  12           HA       SER  12   2.621   2.936   3.064
   78   1HB   SER  12          1HB       SER  12   2.852   3.330   0.249
   79   2HB   SER  12          2HB       SER  12   2.343   4.871   0.910
   80    HG   SER  12           HG       SER  12   4.797   3.601   1.098
   81    H    CYS  13           H        CYS  13   0.550   2.927   4.356
   82    HA   CYS  13           HA       CYS  13  -0.750   5.487   4.030
   83   1HB   CYS  13          1HB       CYS  13  -2.242   4.153   2.743
   84   2HB   CYS  13          2HB       CYS  13  -2.241   2.866   3.932

  No H/Q in entry =          84
  Start of MODEL    6
    1    H1   ILE   1           H1       ILE   1   0.727   6.347  -3.482
    2    H2   ILE   1           H2       ILE   1   2.081   6.914  -2.716
    3    H3   ILE   1           H3       ILE   1   2.147   5.500  -3.576
    4    HA   ILE   1           HA       ILE   1   2.088   4.836  -1.401
    5    HB   ILE   1           HB       ILE   1   0.073   5.756  -0.008
    6   1HG1  ILE   1          1HG1      ILE   1  -0.487   8.110  -0.653
    7   2HG1  ILE   1          2HG1      ILE   1   0.408   7.876  -2.174
    8   1HG2  ILE   1          1HG2      ILE   1   2.789   6.593  -0.436
    9   2HG2  ILE   1          2HG2      ILE   1   1.799   8.043  -0.141
   10   3HG2  ILE   1          3HG2      ILE   1   1.814   6.719   1.048
   11   1HD1  ILE   1          1HD1      ILE   1  -1.627   5.796  -1.513
   12   2HD1  ILE   1          2HD1      ILE   1  -2.260   7.406  -1.929
   13   3HD1  ILE   1          3HD1      ILE   1  -1.218   6.535  -3.081
   14    H    CYS   2           H        CYS   2   0.168   3.571  -0.207
   15    HA   CYS   2           HA       CYS   2  -1.985   2.885  -1.945
   16   1HB   CYS   2          1HB       CYS   2   0.003   1.619  -2.881
   17   2HB   CYS   2          2HB       CYS   2   0.029   0.705  -1.386
   18    H    CYS   3           H        CYS   3  -3.576   2.914  -0.390
   19    HA   CYS   3           HA       CYS   3  -2.874   2.016   2.280
   20   1HB   CYS   3          1HB       CYS   3  -4.061   4.210   1.809
   21   2HB   CYS   3          2HB       CYS   3  -5.471   3.264   1.378
   22    H    ASN   4           H        ASN   4  -2.682  -0.246   1.146
   23    HA   ASN   4           HA       ASN   4  -5.172  -1.568   1.636
   24   1HB   ASN   4          1HB       ASN   4  -4.406  -0.946  -1.048
   25   2HB   ASN   4          2HB       ASN   4  -4.043  -2.648  -0.846
   26   2HD2  ASN   4          1HD2      ASN   4  -5.755  -2.792  -2.486
   27   1HD2  ASN   4          2HD2      ASN   4  -7.406  -2.916  -1.977
   28    HA   PRO   5           HA       PRO   5  -2.218  -4.557   2.891
   29   1HB   PRO   5          1HB       PRO   5  -3.735  -6.827   3.012
   30   2HB   PRO   5          2HB       PRO   5  -3.734  -5.606   4.271
   31   1HG   PRO   5          2HG       PRO   5  -5.944  -5.253   3.718
   32   2HG   PRO   5          1HG       PRO   5  -5.793  -6.152   2.222
   33   1HD   PRO   5          1HD       PRO   5  -5.733  -4.162   1.074
   34   2HD   PRO   5          2HD       PRO   5  -5.767  -3.264   2.578
   35    H    ALA   6           H        ALA   6  -4.046  -5.225   0.016
   36    HA   ALA   6           HA       ALA   6  -2.388  -7.340  -0.851
   37   1HB   ALA   6          1HB       ALA   6  -4.718  -5.867  -1.733
   38   2HB   ALA   6          2HB       ALA   6  -3.567  -6.040  -3.080
   39   3HB   ALA   6          3HB       ALA   6  -4.159  -7.484  -2.225
   40    H    CYS   7           H        CYS   7  -1.786  -4.022  -0.400
   41    HA   CYS   7           HA       CYS   7  -0.191  -3.581  -2.701
   42   1HB   CYS   7          1HB       CYS   7  -0.155  -2.095  -0.067
   43   2HB   CYS   7          2HB       CYS   7   0.501  -1.540  -1.594
   44    H    GLY   8           H        GLY   8   0.214  -4.967   0.549
   45   1HA   GLY   8          1HA       GLY   8   1.978  -5.868   1.618
   46   2HA   GLY   8          2HA       GLY   8   2.489  -6.395   0.027
   47    HA   PRO   9           HA       PRO   9   5.907  -3.762   0.630
   48   1HB   PRO   9          1HB       PRO   9   7.137  -4.120  -1.785
   49   2HB   PRO   9          2HB       PRO   9   7.317  -5.233  -0.443
   50   1HG   PRO   9          2HG       PRO   9   6.256  -6.780  -1.784
   51   2HG   PRO   9          1HG       PRO   9   5.724  -5.550  -2.912
   52   1HD   PRO   9          1HD       PRO   9   3.618  -5.675  -1.999
   53   2HD   PRO   9          2HD       PRO   9   4.180  -6.820  -0.796
   54    H    LYS  10           H        LYS  10   3.257  -3.049  -1.013
   55    HA   LYS  10           HA       LYS  10   4.426  -0.527  -1.966
   56   1HB   LYS  10          1HB       LYS  10   3.506  -2.077  -3.729
   57   2HB   LYS  10          2HB       LYS  10   1.923  -1.882  -3.006
   58   1HG   LYS  10          1HG       LYS  10   2.656   0.749  -3.223
   59   2HG   LYS  10          2HG       LYS  10   3.551   0.082  -4.573
   60   1HD   LYS  10          1HD       LYS  10   1.246  -1.136  -5.126
   61   2HD   LYS  10          2HD       LYS  10   0.559   0.125  -4.122
   62   1HE   LYS  10          1HE       LYS  10   0.526   1.343  -6.064
   63   2HE   LYS  10          2HE       LYS  10   2.216   1.634  -5.708
   64   1HZ   LYS  10          1HZ       LYS  10   1.243  -0.618  -7.324
   65   2HZ   LYS  10          2HZ       LYS  10   1.831   0.775  -7.940
   66   3HZ   LYS  10          3HZ       LYS  10   2.804  -0.210  -7.075
   67    H    TYR  11           H        TYR  11   2.735  -1.963   0.533
   68    HA   TYR  11           HA       TYR  11   0.575  -0.216   0.893
   69   1HB   TYR  11          1HB       TYR  11   1.018  -2.447   2.024
   70   2HB   TYR  11          2HB       TYR  11   2.422  -1.761   2.818
   71    HD1  TYR  11           HD1      TYR  11   1.896   0.433   4.270
   72    HD2  TYR  11           HD2      TYR  11  -0.967  -2.568   3.222
   73    HE1  TYR  11           HE1      TYR  11   0.438   1.129   6.234
   74    HE2  TYR  11           HE2      TYR  11  -2.417  -1.862   5.188
   75    HH   TYR  11           HH       TYR  11  -2.072   0.998   6.745
   76    H    SER  12           H        SER  12   0.622   1.950   1.209
   77    HA   SER  12           HA       SER  12   2.614   2.943   3.052
   78   1HB   SER  12          1HB       SER  12   2.834   3.306   0.240
   79   2HB   SER  12          2HB       SER  12   2.270   4.843   0.865
   80    HG   SER  12           HG       SER  12   4.594   3.379   1.791
   81    H    CYS  13           H        CYS  13   0.563   2.919   4.370
   82    HA   CYS  13           HA       CYS  13  -0.786   5.451   4.031
   83   1HB   CYS  13          1HB       CYS  13  -2.273   4.081   2.781
   84   2HB   CYS  13          2HB       CYS  13  -2.230   2.804   3.980

  No H/Q in entry =          84
  Start of MODEL    7
    1    H1   ILE   1           H1       ILE   1   1.601   5.999  -3.475
    2    H2   ILE   1           H2       ILE   1   2.866   6.636  -2.616
    3    H3   ILE   1           H3       ILE   1   2.972   5.103  -3.234
    4    HA   ILE   1           HA       ILE   1   2.532   4.635  -1.105
    5    HB   ILE   1           HB       ILE   1   0.777   6.033   0.135
    6   1HG1  ILE   1          1HG1      ILE   1   0.557   8.375  -0.856
    7   2HG1  ILE   1          2HG1      ILE   1   1.192   7.700  -2.376
    8   1HG2  ILE   1          1HG2      ILE   1   3.521   6.358  -0.268
    9   2HG2  ILE   1          2HG2      ILE   1   2.863   7.988  -0.546
   10   3HG2  ILE   1          3HG2      ILE   1   2.549   7.152   0.994
   11   1HD1  ILE   1          1HD1      ILE   1  -0.972   6.084  -1.187
   12   2HD1  ILE   1          2HD1      ILE   1  -1.478   7.732  -1.630
   13   3HD1  ILE   1          3HD1      ILE   1  -0.767   6.659  -2.859
   14    H    CYS   2           H        CYS   2   0.620   3.537  -0.053
   15    HA   CYS   2           HA       CYS   2  -1.654   3.229  -1.805
   16   1HB   CYS   2          1HB       CYS   2   0.118   1.583  -2.560
   17   2HB   CYS   2          2HB       CYS   2  -0.062   0.790  -1.007
   18    H    CYS   3           H        CYS   3  -3.374   1.861  -0.634
   19    HA   CYS   3           HA       CYS   3  -2.909   1.775   2.241
   20   1HB   CYS   3          1HB       CYS   3  -4.121   3.932   1.360
   21   2HB   CYS   3          2HB       CYS   3  -5.509   2.870   1.233
   22    H    ASN   4           H        ASN   4  -2.658  -0.552   1.312
   23    HA   ASN   4           HA       ASN   4  -5.105  -1.877   1.786
   24   1HB   ASN   4          1HB       ASN   4  -4.530  -1.231  -0.933
   25   2HB   ASN   4          2HB       ASN   4  -4.117  -2.926  -0.772
   26   2HD2  ASN   4          1HD2      ASN   4  -6.079  -2.480  -2.404
   27   1HD2  ASN   4          2HD2      ASN   4  -7.638  -2.860  -1.752
   28    HA   PRO   5           HA       PRO   5  -2.111  -4.926   2.773
   29   1HB   PRO   5          1HB       PRO   5  -3.541  -7.253   2.672
   30   2HB   PRO   5          2HB       PRO   5  -3.609  -6.144   4.028
   31   1HG   PRO   5          1HG       PRO   5  -5.609  -6.591   1.897
   32   2HG   PRO   5          2HG       PRO   5  -5.823  -5.827   3.460
   33   1HD   PRO   5          1HD       PRO   5  -5.606  -4.510   0.922
   34   2HD   PRO   5          2HD       PRO   5  -5.702  -3.744   2.495
   35    H    ALA   6           H        ALA   6  -3.899  -5.507  -0.161
   36    HA   ALA   6           HA       ALA   6  -2.131  -7.445  -1.170
   37   1HB   ALA   6          1HB       ALA   6  -4.574  -6.599  -1.855
   38   2HB   ALA   6          3HB       ALA   6  -3.485  -7.364  -3.037
   39   3HB   ALA   6          2HB       ALA   6  -3.638  -5.591  -2.984
   40    H    CYS   7           H        CYS   7  -1.852  -4.021  -0.663
   41    HA   CYS   7           HA       CYS   7  -0.158  -3.425  -2.820
   42   1HB   CYS   7          1HB       CYS   7  -0.298  -2.059  -0.126
   43   2HB   CYS   7          2HB       CYS   7   0.376  -1.397  -1.603
   44    H    GLY   8           H        GLY   8   0.234  -4.911   0.390
   45   1HA   GLY   8          1HA       GLY   8   2.024  -5.725   1.489
   46   2HA   GLY   8          2HA       GLY   8   2.587  -6.204  -0.101
   47    HA   PRO   9           HA       PRO   9   5.866  -3.422   0.598
   48   1HB   PRO   9          1HB       PRO   9   7.149  -3.682  -1.801
   49   2HB   PRO   9          2HB       PRO   9   7.361  -4.806  -0.473
   50   1HG   PRO   9          1HG       PRO   9   5.823  -5.159  -2.973
   51   2HG   PRO   9          2HG       PRO   9   6.395  -6.381  -1.856
   52   1HD   PRO   9          1HD       PRO   9   3.712  -5.398  -2.097
   53   2HD   PRO   9          2HD       PRO   9   4.308  -6.534  -0.903
   54    H    LYS  10           H        LYS  10   3.207  -2.799  -1.053
   55    HA   LYS  10           HA       LYS  10   4.278  -0.236  -2.011
   56   1HB   LYS  10          1HB       LYS  10   3.361  -1.764  -3.763
   57   2HB   LYS  10          2HB       LYS  10   1.801  -1.701  -2.968
   58   1HG   LYS  10          1HG       LYS  10   2.485   1.002  -3.179
   59   2HG   LYS  10          2HG       LYS  10   3.130   0.330  -4.663
   60   1HD   LYS  10          1HD       LYS  10   0.327  -0.427  -3.803
   61   2HD   LYS  10          2HD       LYS  10   0.597   1.141  -4.538
   62   1HE   LYS  10          1HE       LYS  10   1.398   0.177  -6.585
   63   2HE   LYS  10          2HE       LYS  10   1.656  -1.392  -5.848
   64   1HZ   LYS  10          1HZ       LYS  10  -1.017  -0.212  -5.980
   65   2HZ   LYS  10          2HZ       LYS  10  -0.408  -1.071  -7.229
   66   3HZ   LYS  10          3HZ       LYS  10  -0.611  -1.780  -5.770
   67    H    TYR  11           H        TYR  11   2.604  -1.758   0.492
   68    HA   TYR  11           HA       TYR  11   0.498   0.067   0.913
   69   1HB   TYR  11          1HB       TYR  11   0.817  -2.269   1.888
   70   2HB   TYR  11          2HB       TYR  11   2.211  -1.693   2.779
   71    HD1  TYR  11           HD1      TYR  11  -0.999   0.145   2.349
   72    HD2  TYR  11           HD2      TYR  11   1.485  -2.113   5.000
   73    HE1  TYR  11           HE1      TYR  11  -2.503   0.770   4.303
   74    HE2  TYR  11           HE2      TYR  11  -0.026  -1.481   6.944
   75    HH   TYR  11           HH       TYR  11  -2.607   0.856   6.535
   76    H    SER  12           H        SER  12   0.655   2.195   1.400
   77    HA   SER  12           HA       SER  12   2.534   2.957   3.420
   78   1HB   SER  12          1HB       SER  12   3.230   3.299   0.692
   79   2HB   SER  12          2HB       SER  12   2.731   4.888   1.235
   80    HG   SER  12           HG       SER  12   4.837   4.873   1.841
   81    H    CYS  13           H        CYS  13   0.170   3.039   4.260
   82    HA   CYS  13           HA       CYS  13  -0.720   5.771   3.957
   83   1HB   CYS  13          1HB       CYS  13  -2.107   4.909   2.299
   84   2HB   CYS  13          2HB       CYS  13  -2.361   3.395   3.143

  No H/Q in entry =          84
  Start of MODEL    8
    1    H1   ILE   1           H1       ILE   1   0.917   6.033  -3.812
    2    H2   ILE   1           H2       ILE   1   2.054   6.871  -2.947
    3    H3   ILE   1           H3       ILE   1   2.455   5.436  -3.670
    4    HA   ILE   1           HA       ILE   1   2.205   4.727  -1.587
    5    HB   ILE   1           HB       ILE   1   0.193   5.702  -0.232
    6   1HG1  ILE   1          1HG1      ILE   1   0.629   8.020  -2.137
    7   2HG1  ILE   1          2HG1      ILE   1  -0.662   6.826  -2.413
    8   1HG2  ILE   1          1HG2      ILE   1   2.915   6.418  -0.572
    9   2HG2  ILE   1          2HG2      ILE   1   2.011   7.950  -0.501
   10   3HG2  ILE   1          3HG2      ILE   1   1.872   6.774   0.827
   11   1HD1  ILE   1          1HD1      ILE   1  -0.554   7.769   0.373
   12   2HD1  ILE   1          2HD1      ILE   1  -0.855   9.082  -0.791
   13   3HD1  ILE   1          3HD1      ILE   1  -1.939   7.671  -0.742
   14    H    CYS   2           H        CYS   2   0.272   3.497  -0.395
   15    HA   CYS   2           HA       CYS   2  -1.877   2.811  -2.144
   16   1HB   CYS   2          1HB       CYS   2   0.106   1.499  -3.026
   17   2HB   CYS   2          2HB       CYS   2   0.100   0.617  -1.513
   18    H    CYS   3           H        CYS   3  -3.503   2.853  -0.628
   19    HA   CYS   3           HA       CYS   3  -2.843   2.028   2.078
   20   1HB   CYS   3          1HB       CYS   3  -4.020   4.213   1.527
   21   2HB   CYS   3          2HB       CYS   3  -5.425   3.254   1.107
   22    H    ASN   4           H        ASN   4  -2.639  -0.261   1.001
   23    HA   ASN   4           HA       ASN   4  -5.139  -1.566   1.483
   24   1HB   ASN   4          1HB       ASN   4  -4.332  -1.010  -1.202
   25   2HB   ASN   4          2HB       ASN   4  -3.974  -2.707  -0.954
   26   2HD2  ASN   4          1HD2      ASN   4  -5.531  -4.078  -1.332
   27   1HD2  ASN   4          2HD2      ASN   4  -7.235  -3.773  -1.292
   28    HA   PRO   5           HA       PRO   5  -2.211  -4.531   2.854
   29   1HB   PRO   5          1HB       PRO   5  -3.737  -6.793   3.009
   30   2HB   PRO   5          2HB       PRO   5  -3.750  -5.542   4.237
   31   1HG   PRO   5          2HG       PRO   5  -5.952  -5.198   3.643
   32   2HG   PRO   5          1HG       PRO   5  -5.781  -6.133   2.171
   33   1HD   PRO   5          1HD       PRO   5  -5.698  -4.171   0.976
   34   2HD   PRO   5          2HD       PRO   5  -5.753  -3.237   2.458
   35    H    ALA   6           H        ALA   6  -3.999  -5.263  -0.030
   36    HA   ALA   6           HA       ALA   6  -2.335  -7.403  -0.820
   37   1HB   ALA   6          1HB       ALA   6  -4.713  -6.154  -1.672
   38   2HB   ALA   6          2HB       ALA   6  -3.566  -5.941  -3.017
   39   3HB   ALA   6          3HB       ALA   6  -3.924  -7.573  -2.404
   40    H    CYS   7           H        CYS   7  -1.735  -4.073  -0.447
   41    HA   CYS   7           HA       CYS   7  -0.093  -3.703  -2.729
   42   1HB   CYS   7          2HB       CYS   7   0.575  -1.628  -1.676
   43   2HB   CYS   7          1HB       CYS   7  -0.112  -2.133  -0.145
   44    H    GLY   8           H        GLY   8   0.237  -5.000   0.562
   45   1HA   GLY   8          1HA       GLY   8   1.975  -5.872   1.696
   46   2HA   GLY   8          2HA       GLY   8   2.533  -6.430   0.132
   47    HA   PRO   9           HA       PRO   9   5.920  -3.767   0.781
   48   1HB   PRO   9          1HB       PRO   9   7.231  -4.187  -1.579
   49   2HB   PRO   9          2HB       PRO   9   7.371  -5.260  -0.202
   50   1HG   PRO   9          2HG       PRO   9   6.362  -6.850  -1.533
   51   2HG   PRO   9          1HG       PRO   9   5.862  -5.656  -2.713
   52   1HD   PRO   9          1HD       PRO   9   3.728  -5.766  -1.867
   53   2HD   PRO   9          2HD       PRO   9   4.254  -6.872  -0.615
   54    H    LYS  10           H        LYS  10   3.323  -3.114  -0.967
   55    HA   LYS  10           HA       LYS  10   4.514  -0.618  -1.961
   56   1HB   LYS  10          1HB       LYS  10   3.642  -2.223  -3.699
   57   2HB   LYS  10          2HB       LYS  10   2.040  -2.008  -3.024
   58   1HG   LYS  10          1HG       LYS  10   2.952   0.627  -3.322
   59   2HG   LYS  10          2HG       LYS  10   3.613  -0.181  -4.730
   60   1HD   LYS  10          1HD       LYS  10   1.338  -1.071  -5.287
   61   2HD   LYS  10          2HD       LYS  10   0.678  -0.255  -3.884
   62   1HE   LYS  10          1HE       LYS  10   1.070   1.917  -4.804
   63   2HE   LYS  10          2HE       LYS  10   2.220   1.313  -5.981
   64   1HZ   LYS  10          1HZ       LYS  10   0.121  -0.045  -6.712
   65   2HZ   LYS  10          2HZ       LYS  10  -0.666   1.222  -6.046
   66   3HZ   LYS  10          3HZ       LYS  10   0.395   1.468  -7.262
   67    H    TYR  11           H        TYR  11   2.768  -1.974   0.541
   68    HA   TYR  11           HA       TYR  11   0.603  -0.198   0.784
   69   1HB   TYR  11          1HB       TYR  11   0.951  -2.409   1.970
   70   2HB   TYR  11          2HB       TYR  11   2.358  -1.756   2.785
   71    HD1  TYR  11           HD1      TYR  11  -1.214  -0.676   2.294
   72    HD2  TYR  11           HD2      TYR  11   2.021  -1.300   5.025
   73    HE1  TYR  11           HE1      TYR  11  -2.681   0.098   4.220
   74    HE2  TYR  11           HE2      TYR  11   0.541  -0.524   6.942
   75    HH   TYR  11           HH       TYR  11  -2.265   1.146   6.491
   76    H    SER  12           H        SER  12   0.671   1.970   1.074
   77    HA   SER  12           HA       SER  12   2.619   2.963   2.965
   78   1HB   SER  12          1HB       SER  12   2.919   3.287   0.151
   79   2HB   SER  12          2HB       SER  12   2.375   4.842   0.752
   80    HG   SER  12           HG       SER  12   4.227   5.130   1.844
   81    H    CYS  13           H        CYS  13   0.530   2.987   4.220
   82    HA   CYS  13           HA       CYS  13  -0.772   5.531   3.805
   83   1HB   CYS  13          1HB       CYS  13  -2.238   4.159   2.529
   84   2HB   CYS  13          2HB       CYS  13  -2.255   2.904   3.752

  No H/Q in entry =          84
  Start of MODEL    9
    1    H1   ILE   1           H1       ILE   1   0.715   6.160  -3.663
    2    H2   ILE   1           H2       ILE   1   1.870   6.987  -2.813
    3    H3   ILE   1           H3       ILE   1   2.259   5.566  -3.568
    4    HA   ILE   1           HA       ILE   1   2.064   4.830  -1.486
    5    HB   ILE   1           HB       ILE   1   0.062   5.761  -0.082
    6   1HG1  ILE   1          1HG1      ILE   1   0.439   8.119  -1.948
    7   2HG1  ILE   1          2HG1      ILE   1  -0.831   6.908  -2.242
    8   1HG2  ILE   1          1HG2      ILE   1   2.772   6.570  -0.515
    9   2HG2  ILE   1          2HG2      ILE   1   1.804   8.046  -0.284
   10   3HG2  ILE   1          3HG2      ILE   1   1.790   6.769   0.955
   11   1HD1  ILE   1          1HD1      ILE   1  -1.284   7.342   0.378
   12   2HD1  ILE   1          2HD1      ILE   1  -0.576   8.921  -0.037
   13   3HD1  ILE   1          3HD1      ILE   1  -2.028   8.345  -0.890
   14    H    CYS   2           H        CYS   2   0.158   3.569  -0.273
   15    HA   CYS   2           HA       CYS   2  -2.012   2.878  -1.987
   16   1HB   CYS   2          1HB       CYS   2  -0.035   1.608  -2.938
   17   2HB   CYS   2          2HB       CYS   2   0.007   0.700  -1.439
   18    H    CYS   3           H        CYS   3  -3.597   2.888  -0.426
   19    HA   CYS   3           HA       CYS   3  -2.867   2.016   2.245
   20   1HB   CYS   3          1HB       CYS   3  -4.079   4.198   1.762
   21   2HB   CYS   3          2HB       CYS   3  -5.484   3.231   1.360
   22    H    ASN   4           H        ASN   4  -2.664  -0.250   1.119
   23    HA   ASN   4           HA       ASN   4  -5.141  -1.590   1.635
   24   1HB   ASN   4          1HB       ASN   4  -4.385  -0.984  -1.059
   25   2HB   ASN   4          2HB       ASN   4  -4.025  -2.685  -0.842
   26   2HD2  ASN   4          1HD2      ASN   4  -5.931  -1.958  -2.593
   27   1HD2  ASN   4          2HD2      ASN   4  -7.516  -2.380  -2.036
   28    HA   PRO   5           HA       PRO   5  -2.151  -4.541   2.897
   29   1HB   PRO   5          1HB       PRO   5  -3.654  -6.818   3.064
   30   2HB   PRO   5          2HB       PRO   5  -3.645  -5.583   4.307
   31   1HG   PRO   5          2HG       PRO   5  -5.864  -5.249   3.775
   32   2HG   PRO   5          1HG       PRO   5  -5.724  -6.166   2.288
   33   1HD   PRO   5          1HD       PRO   5  -5.689  -4.189   1.116
   34   2HD   PRO   5          2HD       PRO   5  -5.712  -3.273   2.609
   35    H    ALA   6           H        ALA   6  -4.003  -5.246   0.049
   36    HA   ALA   6           HA       ALA   6  -2.348  -7.366  -0.812
   37   1HB   ALA   6          3HB       ALA   6  -4.608  -7.128  -1.639
   38   2HB   ALA   6          1HB       ALA   6  -4.265  -5.492  -2.251
   39   3HB   ALA   6          2HB       ALA   6  -3.496  -6.906  -3.010
   40    H    CYS   7           H        CYS   7  -1.760  -4.036  -0.409
   41    HA   CYS   7           HA       CYS   7  -0.172  -3.632  -2.725
   42   1HB   CYS   7          2HB       CYS   7   0.502  -1.560  -1.667
   43   2HB   CYS   7          1HB       CYS   7  -0.150  -2.085  -0.128
   44    H    GLY   8           H        GLY   8   0.236  -4.963   0.542
   45   1HA   GLY   8          1HA       GLY   8   2.004  -5.832   1.631
   46   2HA   GLY   8          2HA       GLY   8   2.536  -6.366   0.048
   47    HA   PRO   9           HA       PRO   9   5.911  -3.679   0.665
   48   1HB   PRO   9          1HB       PRO   9   7.178  -4.055  -1.727
   49   2HB   PRO   9          2HB       PRO   9   7.355  -5.146  -0.367
   50   1HG   PRO   9          2HG       PRO   9   6.334  -6.728  -1.698
   51   2HG   PRO   9          1HG       PRO   9   5.800  -5.522  -2.852
   52   1HD   PRO   9          1HD       PRO   9   3.684  -5.664  -1.965
   53   2HD   PRO   9          2HD       PRO   9   4.245  -6.782  -0.738
   54    H    LYS  10           H        LYS  10   3.272  -3.028  -1.021
   55    HA   LYS  10           HA       LYS  10   4.419  -0.508  -2.008
   56   1HB   LYS  10          1HB       LYS  10   3.519  -2.106  -3.744
   57   2HB   LYS  10          2HB       LYS  10   1.932  -1.899  -3.035
   58   1HG   LYS  10          1HG       LYS  10   2.643   0.727  -3.303
   59   2HG   LYS  10          2HG       LYS  10   3.573   0.044  -4.622
   60   1HD   LYS  10          1HD       LYS  10   1.053  -1.210  -4.842
   61   2HD   LYS  10          2HD       LYS  10   0.668   0.443  -4.407
   62   1HE   LYS  10          1HE       LYS  10   0.982   0.983  -6.592
   63   2HE   LYS  10          2HE       LYS  10   2.697   0.746  -6.324
   64   1HZ   LYS  10          1HZ       LYS  10   0.961  -1.523  -6.938
   65   2HZ   LYS  10          2HZ       LYS  10   1.575  -0.592  -8.131
   66   3HZ   LYS  10          3HZ       LYS  10   2.578  -1.399  -7.126
   67    H    TYR  11           H        TYR  11   2.738  -1.912   0.511
   68    HA   TYR  11           HA       TYR  11   0.566  -0.158   0.824
   69   1HB   TYR  11          1HB       TYR  11   0.952  -2.380   1.974
   70   2HB   TYR  11          2HB       TYR  11   2.375  -1.728   2.763
   71    HD1  TYR  11           HD1      TYR  11  -1.210  -0.653   2.371
   72    HD2  TYR  11           HD2      TYR  11   2.085  -1.313   5.019
   73    HE1  TYR  11           HE1      TYR  11  -2.635   0.086   4.343
   74    HE2  TYR  11           HE2      TYR  11   0.649  -0.571   6.981
   75    HH   TYR  11           HH       TYR  11  -2.604   0.693   6.455
   76    H    SER  12           H        SER  12   0.615   2.005   1.150
   77    HA   SER  12           HA       SER  12   2.600   2.991   3.005
   78   1HB   SER  12          1HB       SER  12   2.830   3.358   0.192
   79   2HB   SER  12          2HB       SER  12   2.276   4.896   0.822
   80    HG   SER  12           HG       SER  12   4.559   4.862   0.891
   81    H    CYS  13           H        CYS  13   0.550   2.977   4.317
   82    HA   CYS  13           HA       CYS  13  -0.793   5.511   3.971
   83   1HB   CYS  13          1HB       CYS  13  -2.279   4.140   2.718
   84   2HB   CYS  13          2HB       CYS  13  -2.246   2.868   3.924

  No H/Q in entry =          84
  Start of MODEL   10
    1    H1   ILE   1           H1       ILE   1   0.873   6.257  -3.634
    2    H2   ILE   1           H2       ILE   1   2.211   6.845  -2.856
    3    H3   ILE   1           H3       ILE   1   2.301   5.421  -3.695
    4    HA   ILE   1           HA       ILE   1   2.212   4.767  -1.526
    5    HB   ILE   1           HB       ILE   1   0.212   5.718  -0.140
    6   1HG1  ILE   1          2HG1      ILE   1   0.547   7.815  -2.327
    7   2HG1  ILE   1          1HG1      ILE   1  -0.348   8.063  -0.809
    8   1HG2  ILE   1          1HG2      ILE   1   2.890   6.305  -0.302
    9   2HG2  ILE   1          2HG2      ILE   1   2.167   7.906  -0.592
   10   3HG2  ILE   1          3HG2      ILE   1   1.780   7.010   0.897
   11   1HD1  ILE   1          1HD1      ILE   1  -1.502   5.752  -1.636
   12   2HD1  ILE   1          2HD1      ILE   1  -2.115   7.358  -2.098
   13   3HD1  ILE   1          3HD1      ILE   1  -1.072   6.449  -3.217
   14    H    CYS   2           H        CYS   2   0.248   3.557  -0.319
   15    HA   CYS   2           HA       CYS   2  -1.895   2.872  -2.065
   16   1HB   CYS   2          1HB       CYS   2   0.081   1.567  -2.973
   17   2HB   CYS   2          2HB       CYS   2   0.085   0.672  -1.467
   18    H    CYS   3           H        CYS   3  -3.510   2.900  -0.537
   19    HA   CYS   3           HA       CYS   3  -2.834   2.045   2.154
   20   1HB   CYS   3          1HB       CYS   3  -4.008   4.242   1.631
   21   2HB   CYS   3          2HB       CYS   3  -5.420   3.290   1.223
   22    H    ASN   4           H        ASN   4  -2.646  -0.232   1.056
   23    HA   ASN   4           HA       ASN   4  -5.152  -1.530   1.537
   24   1HB   ASN   4          1HB       ASN   4  -4.352  -0.953  -1.145
   25   2HB   ASN   4          2HB       ASN   4  -3.998  -2.654  -0.915
   26   2HD2  ASN   4          1HD2      ASN   4  -5.557  -3.926  -1.525
   27   1HD2  ASN   4          2HD2      ASN   4  -7.262  -3.648  -1.398
   28    HA   PRO   5           HA       PRO   5  -2.234  -4.522   2.871
   29   1HB   PRO   5          1HB       PRO   5  -3.768  -6.780   3.003
   30   2HB   PRO   5          2HB       PRO   5  -3.775  -5.543   4.245
   31   1HG   PRO   5          1HG       PRO   5  -5.811  -6.104   2.177
   32   2HG   PRO   5          2HG       PRO   5  -5.975  -5.183   3.658
   33   1HD   PRO   5          1HD       PRO   5  -5.722  -4.130   1.002
   34   2HD   PRO   5          2HD       PRO   5  -5.770  -3.211   2.494
   35    H    ALA   6           H        ALA   6  -4.026  -5.215  -0.020
   36    HA   ALA   6           HA       ALA   6  -2.370  -7.352  -0.835
   37   1HB   ALA   6          1HB       ALA   6  -4.780  -6.358  -1.601
   38   2HB   ALA   6          3HB       ALA   6  -3.792  -7.429  -2.623
   39   3HB   ALA   6          2HB       ALA   6  -3.743  -5.668  -2.874
   40    H    CYS   7           H        CYS   7  -1.760  -4.029  -0.426
   41    HA   CYS   7           HA       CYS   7  -0.121  -3.642  -2.709
   42   1HB   CYS   7          2HB       CYS   7   0.550  -1.575  -1.639
   43   2HB   CYS   7          1HB       CYS   7  -0.137  -2.092  -0.112
   44    H    GLY   8           H        GLY   8   0.206  -4.979   0.563
   45   1HA   GLY   8          1HA       GLY   8   1.947  -5.847   1.697
   46   2HA   GLY   8          2HA       GLY   8   2.490  -6.412   0.131
   47    HA   PRO   9           HA       PRO   9   5.903  -3.774   0.739
   48   1HB   PRO   9          1HB       PRO   9   7.179  -4.190  -1.641
   49   2HB   PRO   9          2HB       PRO   9   7.330  -5.273  -0.271
   50   1HG   PRO   9          2HG       PRO   9   6.290  -6.847  -1.598
   51   2HG   PRO   9          1HG       PRO   9   5.783  -5.641  -2.764
   52   1HD   PRO   9          1HD       PRO   9   3.660  -5.740  -1.890
   53   2HD   PRO   9          2HD       PRO   9   4.195  -6.858  -0.651
   54    H    LYS  10           H        LYS  10   3.287  -3.092  -0.970
   55    HA   LYS  10           HA       LYS  10   4.483  -0.596  -1.959
   56   1HB   LYS  10          1HB       LYS  10   3.585  -2.186  -3.700
   57   2HB   LYS  10          2HB       LYS  10   1.991  -1.962  -3.009
   58   1HG   LYS  10          1HG       LYS  10   2.776   0.661  -3.280
   59   2HG   LYS  10          2HG       LYS  10   3.646  -0.064  -4.617
   60   1HD   LYS  10          1HD       LYS  10   1.359  -1.225  -5.194
   61   2HD   LYS  10          2HD       LYS  10   0.648  -0.030  -4.128
   62   1HE   LYS  10          1HE       LYS  10   2.538   1.245  -5.964
   63   2HE   LYS  10          2HE       LYS  10   1.352   0.316  -6.859
   64   1HZ   LYS  10          1HZ       LYS  10  -0.350   1.447  -5.479
   65   2HZ   LYS  10          2HZ       LYS  10   0.819   2.426  -4.892
   66   3HZ   LYS  10          3HZ       LYS  10   0.466   2.440  -6.487
   67    H    TYR  11           H        TYR  11   2.745  -1.966   0.543
   68    HA   TYR  11           HA       TYR  11   0.596  -0.179   0.821
   69   1HB   TYR  11          1HB       TYR  11   0.947  -2.404   1.985
   70   2HB   TYR  11          2HB       TYR  11   2.358  -1.757   2.798
   71    HD1  TYR  11           HD1      TYR  11  -1.053  -0.277   2.298
   72    HD2  TYR  11           HD2      TYR  11   1.868  -1.712   5.076
   73    HE1  TYR  11           HE1      TYR  11  -2.512   0.483   4.237
   74    HE2  TYR  11           HE2      TYR  11   0.399  -0.947   7.004
   75    HH   TYR  11           HH       TYR  11  -1.489  -0.084   7.594
   76    H    SER  12           H        SER  12   0.675   1.986   1.131
   77    HA   SER  12           HA       SER  12   2.647   2.953   3.010
   78   1HB   SER  12          1HB       SER  12   2.906   3.309   0.190
   79   2HB   SER  12          2HB       SER  12   2.398   4.860   0.829
   80    HG   SER  12           HG       SER  12   4.621   4.881   1.005
   81    H    CYS  13           H        CYS  13   0.563   2.968   4.281
   82    HA   CYS  13           HA       CYS  13  -0.726   5.527   3.907
   83   1HB   CYS  13          1HB       CYS  13  -2.209   4.180   2.623
   84   2HB   CYS  13          2HB       CYS  13  -2.225   2.910   3.829

  No H/Q in entry =          84
  Start of MODEL   11
    1    H1   ILE   1           H1       ILE   1   0.740   6.306  -3.555
    2    H2   ILE   1           H2       ILE   1   2.086   6.901  -2.796
    3    H3   ILE   1           H3       ILE   1   2.173   5.482  -3.645
    4    HA   ILE   1           HA       ILE   1   2.125   4.816  -1.478
    5    HB   ILE   1           HB       ILE   1   0.137   5.742  -0.055
    6   1HG1  ILE   1          1HG1      ILE   1  -0.452   8.086  -0.702
    7   2HG1  ILE   1          2HG1      ILE   1   0.422   7.854  -2.234
    8   1HG2  ILE   1          1HG2      ILE   1   2.841   6.541  -0.495
    9   2HG2  ILE   1          2HG2      ILE   1   1.885   8.029  -0.290
   10   3HG2  ILE   1          3HG2      ILE   1   1.858   6.773   0.971
   11   1HD1  ILE   1          1HD1      ILE   1  -1.600   5.771  -1.525
   12   2HD1  ILE   1          2HD1      ILE   1  -2.233   7.374  -1.969
   13   3HD1  ILE   1          3HD1      ILE   1  -1.199   6.479  -3.108
   14    H    CYS   2           H        CYS   2   0.175   3.596  -0.241
   15    HA   CYS   2           HA       CYS   2  -1.986   2.899  -1.956
   16   1HB   CYS   2          1HB       CYS   2  -0.016   1.619  -2.910
   17   2HB   CYS   2          2HB       CYS   2   0.024   0.711  -1.412
   18    H    CYS   3           H        CYS   3  -3.570   2.908  -0.395
   19    HA   CYS   3           HA       CYS   3  -2.836   2.035   2.276
   20   1HB   CYS   3          1HB       CYS   3  -4.035   4.226   1.795
   21   2HB   CYS   3          2HB       CYS   3  -5.449   3.268   1.402
   22    H    ASN   4           H        ASN   4  -2.654  -0.231   1.152
   23    HA   ASN   4           HA       ASN   4  -5.139  -1.553   1.670
   24   1HB   ASN   4          1HB       ASN   4  -4.392  -0.949  -1.022
   25   2HB   ASN   4          2HB       ASN   4  -4.023  -2.649  -0.810
   26   2HD2  ASN   4          1HD2      ASN   4  -5.875  -2.193  -2.564
   27   1HD2  ASN   4          2HD2      ASN   4  -7.478  -2.530  -2.001
   28    HA   PRO   5           HA       PRO   5  -2.176  -4.531   2.929
   29   1HB   PRO   5          1HB       PRO   5  -3.692  -6.801   3.076
   30   2HB   PRO   5          2HB       PRO   5  -3.683  -5.571   4.325
   31   1HG   PRO   5          2HG       PRO   5  -5.896  -5.223   3.784
   32   2HG   PRO   5          1HG       PRO   5  -5.754  -6.133   2.293
   33   1HD   PRO   5          1HD       PRO   5  -5.702  -4.151   1.131
   34   2HD   PRO   5          2HD       PRO   5  -5.727  -3.242   2.629
   35    H    ALA   6           H        ALA   6  -4.019  -5.217   0.068
   36    HA   ALA   6           HA       ALA   6  -2.366  -7.338  -0.793
   37   1HB   ALA   6          3HB       ALA   6  -4.602  -7.130  -1.650
   38   2HB   ALA   6          1HB       ALA   6  -4.305  -5.462  -2.195
   39   3HB   ALA   6          2HB       ALA   6  -3.496  -6.822  -3.010
   40    H    CYS   7           H        CYS   7  -1.769  -4.013  -0.375
   41    HA   CYS   7           HA       CYS   7  -0.175  -3.602  -2.685
   42   1HB   CYS   7          2HB       CYS   7   0.503  -1.537  -1.615
   43   2HB   CYS   7          1HB       CYS   7  -0.155  -2.066  -0.080
   44    H    GLY   8           H        GLY   8   0.220  -4.957   0.572
   45   1HA   GLY   8          1HA       GLY   8   1.987  -5.821   1.668
   46   2HA   GLY   8          2HA       GLY   8   2.507  -6.370   0.088
   47    HA   PRO   9           HA       PRO   9   5.909  -3.711   0.659
   48   1HB   PRO   9          1HB       PRO   9   7.147  -4.098  -1.746
   49   2HB   PRO   9          2HB       PRO   9   7.330  -5.190  -0.387
   50   1HG   PRO   9          1HG       PRO   9   5.744  -5.552  -2.856
   51   2HG   PRO   9          2HG       PRO   9   6.279  -6.763  -1.708
   52   1HD   PRO   9          1HD       PRO   9   3.637  -5.674  -1.946
   53   2HD   PRO   9          2HD       PRO   9   4.201  -6.798  -0.726
   54    H    LYS  10           H        LYS  10   3.260  -3.036  -1.000
   55    HA   LYS  10           HA       LYS  10   4.419  -0.524  -1.992
   56   1HB   LYS  10          1HB       LYS  10   3.508  -2.098  -3.733
   57   2HB   LYS  10          2HB       LYS  10   1.924  -1.911  -3.007
   58   1HG   LYS  10          1HG       LYS  10   2.673   0.730  -3.263
   59   2HG   LYS  10          2HG       LYS  10   3.505   0.027  -4.636
   60   1HD   LYS  10          1HD       LYS  10   1.203  -1.155  -5.137
   61   2HD   LYS  10          2HD       LYS  10   0.526   0.042  -4.049
   62   1HE   LYS  10          1HE       LYS  10   0.344   1.223  -6.039
   63   2HE   LYS  10          2HE       LYS  10   1.950   1.741  -5.564
   64   1HZ   LYS  10          1HZ       LYS  10   2.429  -0.548  -6.867
   65   2HZ   LYS  10          2HZ       LYS  10   1.170   0.050  -7.718
   66   3HZ   LYS  10          3HZ       LYS  10   2.527   0.940  -7.533
   67    H    TYR  11           H        TYR  11   2.735  -1.926   0.530
   68    HA   TYR  11           HA       TYR  11   0.578  -0.156   0.859
   69   1HB   TYR  11          1HB       TYR  11   0.965  -2.385   2.001
   70   2HB   TYR  11          2HB       TYR  11   2.388  -1.737   2.791
   71    HD1  TYR  11           HD1      TYR  11  -1.201  -0.673   2.403
   72    HD2  TYR  11           HD2      TYR  11   2.103  -1.311   5.045
   73    HE1  TYR  11           HE1      TYR  11  -2.627   0.065   4.375
   74    HE2  TYR  11           HE2      TYR  11   0.666  -0.571   7.008
   75    HH   TYR  11           HH       TYR  11  -2.489  -0.524   7.014
   76    H    SER  12           H        SER  12   0.648   2.007   1.183
   77    HA   SER  12           HA       SER  12   2.645   2.975   3.035
   78   1HB   SER  12          1HB       SER  12   2.852   3.353   0.213
   79   2HB   SER  12          2HB       SER  12   2.348   4.897   0.874
   80    HG   SER  12           HG       SER  12   4.812   3.916   0.855
   81    H    CYS  13           H        CYS  13   0.589   2.973   4.345
   82    HA   CYS  13           HA       CYS  13  -0.728   5.521   4.007
   83   1HB   CYS  13          1HB       CYS  13  -2.225   4.169   2.748
   84   2HB   CYS  13          2HB       CYS  13  -2.206   2.892   3.948

  No H/Q in entry =          84
  Start of MODEL   12
    1    H1   ILE   1           H1       ILE   1   1.691   5.711  -3.620
    2    H2   ILE   1           H2       ILE   1   2.883   6.469  -2.755
    3    H3   ILE   1           H3       ILE   1   3.065   4.885  -3.206
    4    HA   ILE   1           HA       ILE   1   2.477   4.550  -1.109
    5    HB   ILE   1           HB       ILE   1   0.810   6.086   0.018
    6   1HG1  ILE   1          1HG1      ILE   1   0.695   8.374  -1.258
    7   2HG1  ILE   1          2HG1      ILE   1   1.033   7.390  -2.703
    8   1HG2  ILE   1          1HG2      ILE   1   3.505   6.334  -0.333
    9   2HG2  ILE   1          2HG2      ILE   1   2.951   7.887  -1.003
   10   3HG2  ILE   1          3HG2      ILE   1   2.537   7.442   0.670
   11   1HD1  ILE   1          1HD1      ILE   1  -0.967   6.027  -1.172
   12   2HD1  ILE   1          2HD1      ILE   1  -1.463   7.731  -1.310
   13   3HD1  ILE   1          3HD1      ILE   1  -1.133   6.778  -2.777
   14    H    CYS   2           H        CYS   2   0.756   3.265  -0.237
   15    HA   CYS   2           HA       CYS   2  -1.588   3.058  -1.952
   16   1HB   CYS   2          1HB       CYS   2   0.171   1.368  -2.634
   17   2HB   CYS   2          2HB       CYS   2  -0.045   0.619  -1.065
   18    H    CYS   3           H        CYS   3  -3.321   1.676  -0.769
   19    HA   CYS   3           HA       CYS   3  -2.911   1.694   2.114
   20   1HB   CYS   3          1HB       CYS   3  -4.116   3.822   1.128
   21   2HB   CYS   3          2HB       CYS   3  -5.501   2.752   1.048
   22    H    ASN   4           H        ASN   4  -2.648  -0.658   1.240
   23    HA   ASN   4           HA       ASN   4  -5.100  -1.969   1.726
   24   1HB   ASN   4          1HB       ASN   4  -4.497  -1.395  -1.005
   25   2HB   ASN   4          2HB       ASN   4  -4.096  -3.087  -0.795
   26   2HD2  ASN   4          1HD2      ASN   4  -6.581  -0.875   0.491
   27   1HD2  ASN   4          2HD2      ASN   4  -7.960  -1.852   0.112
   28    HA   PRO   5           HA       PRO   5  -2.119  -4.997   2.811
   29   1HB   PRO   5          1HB       PRO   5  -3.548  -7.326   2.748
   30   2HB   PRO   5          2HB       PRO   5  -3.630  -6.186   4.078
   31   1HG   PRO   5          2HG       PRO   5  -5.837  -5.883   3.480
   32   2HG   PRO   5          1HG       PRO   5  -5.608  -6.682   1.937
   33   1HD   PRO   5          1HD       PRO   5  -5.594  -4.624   0.914
   34   2HD   PRO   5          2HD       PRO   5  -5.707  -3.823   2.469
   35    H    ALA   6           H        ALA   6  -3.879  -5.651  -0.125
   36    HA   ALA   6           HA       ALA   6  -2.100  -7.609  -1.072
   37   1HB   ALA   6          1HB       ALA   6  -4.482  -6.238  -1.910
   38   2HB   ALA   6          2HB       ALA   6  -3.295  -6.167  -3.234
   39   3HB   ALA   6          3HB       ALA   6  -3.778  -7.741  -2.556
   40    H    CYS   7           H        CYS   7  -1.830  -4.172  -0.648
   41    HA   CYS   7           HA       CYS   7  -0.102  -3.639  -2.798
   42   1HB   CYS   7          2HB       CYS   7   0.403  -1.569  -1.639
   43   2HB   CYS   7          1HB       CYS   7  -0.299  -2.182  -0.154
   44    H    GLY   8           H        GLY   8   0.234  -5.009   0.471
   45   1HA   GLY   8          1HA       GLY   8   2.006  -5.774   1.632
   46   2HA   GLY   8          2HA       GLY   8   2.598  -6.312   0.073
   47    HA   PRO   9           HA       PRO   9   5.860  -3.497   0.721
   48   1HB   PRO   9          1HB       PRO   9   7.183  -3.843  -1.645
   49   2HB   PRO   9          2HB       PRO   9   7.374  -4.918  -0.273
   50   1HG   PRO   9          1HG       PRO   9   5.879  -5.365  -2.784
   51   2HG   PRO   9          2HG       PRO   9   6.435  -6.544  -1.612
   52   1HD   PRO   9          1HD       PRO   9   3.754  -5.577  -1.935
   53   2HD   PRO   9          2HD       PRO   9   4.332  -6.666  -0.690
   54    H    LYS  10           H        LYS  10   3.227  -2.941  -0.996
   55    HA   LYS  10           HA       LYS  10   4.309  -0.415  -2.034
   56   1HB   LYS  10          1HB       LYS  10   3.417  -2.009  -3.739
   57   2HB   LYS  10          2HB       LYS  10   1.847  -1.920  -2.965
   58   1HG   LYS  10          1HG       LYS  10   2.539   0.777  -3.272
   59   2HG   LYS  10          2HG       LYS  10   3.186   0.043  -4.725
   60   1HD   LYS  10          1HD       LYS  10   0.991  -0.951  -5.259
   61   2HD   LYS  10          2HD       LYS  10   0.323  -0.371  -3.745
   62   1HE   LYS  10          1HE       LYS  10  -0.052   1.713  -4.592
   63   2HE   LYS  10          2HE       LYS  10   1.565   1.820  -5.258
   64   1HZ   LYS  10          1HZ       LYS  10  -0.635   0.317  -6.497
   65   2HZ   LYS  10          2HZ       LYS  10  -0.166   1.816  -6.945
   66   3HZ   LYS  10          3HZ       LYS  10   0.851   0.552  -7.134
   67    H    TYR  11           H        TYR  11   2.612  -1.837   0.509
   68    HA   TYR  11           HA       TYR  11   0.506   0.016   0.827
   69   1HB   TYR  11          1HB       TYR  11   0.779  -2.296   1.874
   70   2HB   TYR  11          2HB       TYR  11   2.159  -1.707   2.778
   71    HD1  TYR  11           HD1      TYR  11  -1.009   0.166   2.229
   72    HD2  TYR  11           HD2      TYR  11   1.370  -2.072   4.991
   73    HE1  TYR  11           HE1      TYR  11  -2.547   0.862   4.130
   74    HE2  TYR  11           HE2      TYR  11  -0.175  -1.368   6.883
   75    HH   TYR  11           HH       TYR  11  -2.998  -0.503   6.672
   76    H    SER  12           H        SER  12   0.662   2.151   1.283
   77    HA   SER  12           HA       SER  12   2.535   2.945   3.299
   78   1HB   SER  12          1HB       SER  12   3.327   3.176   0.628
   79   2HB   SER  12          2HB       SER  12   2.701   4.774   0.987
   80    HG   SER  12           HG       SER  12   5.044   4.369   1.477
   81    H    CYS  13           H        CYS  13   0.108   3.006   4.055
   82    HA   CYS  13           HA       CYS  13  -0.734   5.754   3.768
   83   1HB   CYS  13          1HB       CYS  13  -2.074   4.948   2.048
   84   2HB   CYS  13          2HB       CYS  13  -2.370   3.416   2.845

  No H/Q in entry =          84
  Start of MODEL   13
    1    H1   ILE   1           H1       ILE   1   0.980   6.219  -3.527
    2    H2   ILE   1           H2       ILE   1   2.152   6.983  -2.640
    3    H3   ILE   1           H3       ILE   1   2.460   5.506  -3.323
    4    HA   ILE   1           HA       ILE   1   2.085   4.855  -1.243
    5    HB   ILE   1           HB       ILE   1   0.126   6.022   0.037
    6   1HG1  ILE   1          1HG1      ILE   1   0.808   8.319  -1.798
    7   2HG1  ILE   1          2HG1      ILE   1  -0.483   7.183  -2.256
    8   1HG2  ILE   1          1HG2      ILE   1   2.919   6.559  -0.300
    9   2HG2  ILE   1          2HG2      ILE   1   2.084   8.123  -0.146
   10   3HG2  ILE   1          3HG2      ILE   1   1.900   6.887   1.122
   11   1HD1  ILE   1          1HD1      ILE   1  -0.819   7.838   0.518
   12   2HD1  ILE   1          2HD1      ILE   1  -0.606   9.357  -0.384
   13   3HD1  ILE   1          3HD1      ILE   1  -1.898   8.221  -0.845
   14    H    CYS   2           H        CYS   2   0.523   3.321  -0.379
   15    HA   CYS   2           HA       CYS   2  -1.836   2.960  -2.039
   16   1HB   CYS   2          1HB       CYS   2   0.089   1.595  -2.964
   17   2HB   CYS   2          2HB       CYS   2   0.045   0.666  -1.478
   18    H    CYS   3           H        CYS   3  -3.493   2.937  -0.561
   19    HA   CYS   3           HA       CYS   3  -2.870   2.077   2.141
   20   1HB   CYS   3          1HB       CYS   3  -4.058   4.264   1.579
   21   2HB   CYS   3          2HB       CYS   3  -5.454   3.289   1.164
   22    H    ASN   4           H        ASN   4  -2.639  -0.197   1.038
   23    HA   ASN   4           HA       ASN   4  -5.123  -1.531   1.494
   24   1HB   ASN   4          1HB       ASN   4  -4.350  -0.904  -1.188
   25   2HB   ASN   4          2HB       ASN   4  -3.989  -2.607  -0.984
   26   2HD2  ASN   4          1HD2      ASN   4  -5.552  -3.768  -1.794
   27   1HD2  ASN   4          2HD2      ASN   4  -7.255  -3.535  -1.580
   28    HA   PRO   5           HA       PRO   5  -2.146  -4.496   2.756
   29   1HB   PRO   5          1HB       PRO   5  -3.656  -6.769   2.902
   30   2HB   PRO   5          2HB       PRO   5  -3.650  -5.541   4.152
   31   1HG   PRO   5          2HG       PRO   5  -5.866  -5.197   3.612
   32   2HG   PRO   5          1HG       PRO   5  -5.721  -6.106   2.121
   33   1HD   PRO   5          1HD       PRO   5  -5.674  -4.123   0.959
   34   2HD   PRO   5          2HD       PRO   5  -5.701  -3.215   2.458
   35    H    ALA   6           H        ALA   6  -3.988  -5.181  -0.104
   36    HA   ALA   6           HA       ALA   6  -2.333  -7.300  -0.969
   37   1HB   ALA   6          3HB       ALA   6  -4.294  -7.381  -2.123
   38   2HB   ALA   6          1HB       ALA   6  -4.550  -5.623  -2.012
   39   3HB   ALA   6          2HB       ALA   6  -3.455  -6.286  -3.248
   40    H    CYS   7           H        CYS   7  -1.734  -3.978  -0.541
   41    HA   CYS   7           HA       CYS   7  -0.135  -3.564  -2.849
   42   1HB   CYS   7          2HB       CYS   7   0.538  -1.499  -1.776
   43   2HB   CYS   7          1HB       CYS   7  -0.123  -2.030  -0.243
   44    H    GLY   8           H        GLY   8   0.252  -4.910   0.415
   45   1HA   GLY   8          1HA       GLY   8   2.005  -5.810   1.499
   46   2HA   GLY   8          2HA       GLY   8   2.565  -6.304  -0.086
   47    HA   PRO   9           HA       PRO   9   5.911  -3.611   0.651
   48   1HB   PRO   9          1HB       PRO   9   7.233  -3.946  -1.717
   49   2HB   PRO   9          2HB       PRO   9   7.388  -5.054  -0.369
   50   1HG   PRO   9          2HG       PRO   9   6.406  -6.623  -1.744
   51   2HG   PRO   9          1HG       PRO   9   5.890  -5.405  -2.892
   52   1HD   PRO   9          1HD       PRO   9   3.756  -5.572  -2.055
   53   2HD   PRO   9          2HD       PRO   9   4.297  -6.704  -0.831
   54    H    LYS  10           H        LYS  10   3.308  -2.953  -1.086
   55    HA   LYS  10           HA       LYS  10   4.462  -0.418  -2.023
   56   1HB   LYS  10          1HB       LYS  10   3.608  -1.957  -3.804
   57   2HB   LYS  10          2HB       LYS  10   2.010  -1.847  -3.092
   58   1HG   LYS  10          1HG       LYS  10   2.776   0.838  -3.297
   59   2HG   LYS  10          2HG       LYS  10   3.472   0.129  -4.741
   60   1HD   LYS  10          1HD       LYS  10   0.613  -0.549  -4.010
   61   2HD   LYS  10          2HD       LYS  10   0.955   1.007  -4.740
   62   1HE   LYS  10          1HE       LYS  10   1.164   0.066  -6.794
   63   2HE   LYS  10          2HE       LYS  10   2.384  -1.050  -6.211
   64   1HZ   LYS  10          1HZ       LYS  10   0.323  -2.226  -5.214
   65   2HZ   LYS  10          2HZ       LYS  10  -0.489  -1.424  -6.382
   66   3HZ   LYS  10          3HZ       LYS  10   0.715  -2.452  -6.783
   67    H    TYR  11           H        TYR  11   2.763  -1.843   0.470
   68    HA   TYR  11           HA       TYR  11   0.587  -0.085   0.772
   69   1HB   TYR  11          1HB       TYR  11   0.939  -2.325   1.895
   70   2HB   TYR  11          2HB       TYR  11   2.359  -1.702   2.709
   71    HD1  TYR  11           HD1      TYR  11  -1.046  -0.190   2.274
   72    HD2  TYR  11           HD2      TYR  11   1.887  -1.713   4.991
   73    HE1  TYR  11           HE1      TYR  11  -2.485   0.532   4.242
   74    HE2  TYR  11           HE2      TYR  11   0.439  -0.985   6.950
   75    HH   TYR  11           HH       TYR  11  -2.671   0.644   6.385
   76    H    SER  12           H        SER  12   0.647   2.073   1.134
   77    HA   SER  12           HA       SER  12   2.612   3.015   3.031
   78   1HB   SER  12          1HB       SER  12   3.046   3.351   0.306
   79   2HB   SER  12          2HB       SER  12   2.251   4.854   0.735
   80    HG   SER  12           HG       SER  12   3.959   4.609   2.679
   81    H    CYS  13           H        CYS  13   0.498   2.954   4.277
   82    HA   CYS  13           HA       CYS  13  -0.791   5.525   3.990
   83   1HB   CYS  13          1HB       CYS  13  -2.229   4.174   2.624
   84   2HB   CYS  13          2HB       CYS  13  -2.312   2.918   3.844

  No H/Q in entry =          84
  Start of MODEL   14
    1    H1   ILE   1           H1       ILE   1   0.999   6.190  -3.600
    2    H2   ILE   1           H2       ILE   1   2.268   6.837  -2.755
    3    H3   ILE   1           H3       ILE   1   2.444   5.383  -3.528
    4    HA   ILE   1           HA       ILE   1   2.196   4.743  -1.392
    5    HB   ILE   1           HB       ILE   1   0.211   5.808  -0.077
    6   1HG1  ILE   1          1HG1      ILE   1   0.735   7.994  -2.132
    7   2HG1  ILE   1          2HG1      ILE   1  -0.695   6.935  -2.159
    8   1HG2  ILE   1          1HG2      ILE   1   2.952   6.391  -0.344
    9   2HG2  ILE   1          2HG2      ILE   1   2.143   7.976  -0.387
   10   3HG2  ILE   1          3HG2      ILE   1   1.884   6.882   0.994
   11   1HD1  ILE   1          1HD1      ILE   1  -0.410   7.918   0.511
   12   2HD1  ILE   1          2HD1      ILE   1  -0.246   9.309  -0.588
   13   3HD1  ILE   1          3HD1      ILE   1  -1.700   8.284  -0.660
   14    H    CYS   2           H        CYS   2   0.311   3.480  -0.287
   15    HA   CYS   2           HA       CYS   2  -1.881   2.925  -2.053
   16   1HB   CYS   2          1HB       CYS   2   0.067   1.555  -2.923
   17   2HB   CYS   2          2HB       CYS   2   0.017   0.664  -1.416
   18    H    CYS   3           H        CYS   3  -3.585   2.810  -0.635
   19    HA   CYS   3           HA       CYS   3  -2.975   2.054   2.109
   20   1HB   CYS   3          1HB       CYS   3  -4.184   4.220   1.471
   21   2HB   CYS   3          2HB       CYS   3  -5.568   3.212   1.096
   22    H    ASN   4           H        ASN   4  -2.712  -0.245   1.131
   23    HA   ASN   4           HA       ASN   4  -5.176  -1.594   1.571
   24   1HB   ASN   4          1HB       ASN   4  -4.443  -0.989  -1.125
   25   2HB   ASN   4          2HB       ASN   4  -4.045  -2.683  -0.907
   26   2HD2  ASN   4          1HD2      ASN   4  -5.836  -2.563  -2.623
   27   1HD2  ASN   4          2HD2      ASN   4  -7.457  -2.822  -2.069
   28    HA   PRO   5           HA       PRO   5  -2.170  -4.529   2.830
   29   1HB   PRO   5          1HB       PRO   5  -3.638  -6.831   2.949
   30   2HB   PRO   5          2HB       PRO   5  -3.666  -5.609   4.206
   31   1HG   PRO   5          2HG       PRO   5  -5.884  -5.304   3.645
   32   2HG   PRO   5          1HG       PRO   5  -5.708  -6.202   2.150
   33   1HD   PRO   5          1HD       PRO   5  -5.686  -4.212   1.000
   34   2HD   PRO   5          2HD       PRO   5  -5.745  -3.313   2.503
   35    H    ALA   6           H        ALA   6  -3.981  -5.256  -0.044
   36    HA   ALA   6           HA       ALA   6  -2.269  -7.328  -0.903
   37   1HB   ALA   6          1HB       ALA   6  -4.598  -5.835  -1.846
   38   2HB   ALA   6          2HB       ALA   6  -3.443  -6.157  -3.163
   39   3HB   ALA   6          3HB       ALA   6  -4.099  -7.506  -2.205
   40    H    CYS   7           H        CYS   7  -1.757  -3.990  -0.472
   41    HA   CYS   7           HA       CYS   7  -0.180  -3.502  -2.766
   42   1HB   CYS   7          1HB       CYS   7  -0.142  -2.050  -0.115
   43   2HB   CYS   7          2HB       CYS   7   0.490  -1.464  -1.641
   44    H    GLY   8           H        GLY   8   0.291  -4.900   0.473
   45   1HA   GLY   8          1HA       GLY   8   2.073  -5.813   1.497
   46   2HA   GLY   8          2HA       GLY   8   2.601  -6.274  -0.109
   47    HA   PRO   9           HA       PRO   9   5.942  -3.567   0.596
   48   1HB   PRO   9          1HB       PRO   9   7.206  -3.843  -1.811
   49   2HB   PRO   9          2HB       PRO   9   7.404  -4.977  -0.488
   50   1HG   PRO   9          2HG       PRO   9   6.400  -6.526  -1.872
   51   2HG   PRO   9          1HG       PRO   9   5.845  -5.289  -2.982
   52   1HD   PRO   9          1HD       PRO   9   3.735  -5.490  -2.094
   53   2HD   PRO   9          2HD       PRO   9   4.316  -6.642  -0.908
   54    H    LYS  10           H        LYS  10   3.289  -2.894  -1.058
   55    HA   LYS  10           HA       LYS  10   4.400  -0.332  -1.971
   56   1HB   LYS  10          1HB       LYS  10   3.504  -1.864  -3.752
   57   2HB   LYS  10          2HB       LYS  10   1.922  -1.733  -3.011
   58   1HG   LYS  10          1HG       LYS  10   2.625   0.931  -3.189
   59   2HG   LYS  10          2HG       LYS  10   3.447   0.282  -4.595
   60   1HD   LYS  10          1HD       LYS  10   0.585  -0.549  -4.115
   61   2HD   LYS  10          2HD       LYS  10   0.884   1.071  -4.714
   62   1HE   LYS  10          1HE       LYS  10   1.282   0.287  -6.806
   63   2HE   LYS  10          2HE       LYS  10   2.533  -0.789  -6.212
   64   1HZ   LYS  10          1HZ       LYS  10   0.788  -2.351  -5.607
   65   2HZ   LYS  10          2HZ       LYS  10  -0.350  -1.358  -6.226
   66   3HZ   LYS  10          3HZ       LYS  10   0.770  -2.027  -7.207
   67    H    TYR  11           H        TYR  11   2.739  -1.842   0.511
   68    HA   TYR  11           HA       TYR  11   0.560  -0.123   0.911
   69   1HB   TYR  11          1HB       TYR  11   1.028  -2.376   1.991
   70   2HB   TYR  11          2HB       TYR  11   2.422  -1.692   2.803
   71    HD1  TYR  11           HD1      TYR  11   1.879   0.448   4.315
   72    HD2  TYR  11           HD2      TYR  11  -0.970  -2.531   3.169
   73    HE1  TYR  11           HE1      TYR  11   0.410   1.084   6.289
   74    HE2  TYR  11           HE2      TYR  11  -2.430  -1.884   5.147
   75    HH   TYR  11           HH       TYR  11  -1.291   0.391   7.561
   76    H    SER  12           H        SER  12   0.601   2.039   1.254
   77    HA   SER  12           HA       SER  12   2.512   3.013   3.175
   78   1HB   SER  12          1HB       SER  12   2.935   3.354   0.383
   79   2HB   SER  12          2HB       SER  12   2.362   4.906   0.962
   80    HG   SER  12           HG       SER  12   4.725   4.599   1.090
   81    H    CYS  13           H        CYS  13   0.367   3.029   4.339
   82    HA   CYS  13           HA       CYS  13  -0.897   5.590   3.904
   83   1HB   CYS  13          1HB       CYS  13  -2.311   4.239   2.542
   84   2HB   CYS  13          2HB       CYS  13  -2.401   2.978   3.755

  No H/Q in entry =          84
  Start of MODEL   15
    1    H1   ILE   1           H1       ILE   1   0.964   6.033  -3.723
    2    H2   ILE   1           H2       ILE   1   2.093   6.868  -2.847
    3    H3   ILE   1           H3       ILE   1   2.493   5.421  -3.546
    4    HA   ILE   1           HA       ILE   1   2.195   4.731  -1.465
    5    HB   ILE   1           HB       ILE   1   0.179   5.749  -0.149
    6   1HG1  ILE   1          1HG1      ILE   1   0.677   8.045  -2.064
    7   2HG1  ILE   1          2HG1      ILE   1  -0.623   6.866  -2.355
    8   1HG2  ILE   1          1HG2      ILE   1   2.913   6.405  -0.436
    9   2HG2  ILE   1          2HG2      ILE   1   2.050   7.961  -0.431
   10   3HG2  ILE   1          3HG2      ILE   1   1.846   6.826   0.925
   11   1HD1  ILE   1          1HD1      ILE   1  -0.290   8.343   0.283
   12   2HD1  ILE   1          2HD1      ILE   1  -1.300   8.956  -1.048
   13   3HD1  ILE   1          3HD1      ILE   1  -1.696   7.403  -0.273
   14    H    CYS   2           H        CYS   2   0.243   3.524  -0.300
   15    HA   CYS   2           HA       CYS   2  -1.900   2.864  -2.067
   16   1HB   CYS   2          1HB       CYS   2   0.073   1.525  -2.928
   17   2HB   CYS   2          2HB       CYS   2   0.042   0.646  -1.411
   18    H    CYS   3           H        CYS   3  -3.576   2.813  -0.612
   19    HA   CYS   3           HA       CYS   3  -2.946   2.054   2.124
   20   1HB   CYS   3          1HB       CYS   3  -4.154   4.216   1.506
   21   2HB   CYS   3          2HB       CYS   3  -5.539   3.218   1.112
   22    H    ASN   4           H        ASN   4  -2.689  -0.249   1.146
   23    HA   ASN   4           HA       ASN   4  -5.155  -1.595   1.609
   24   1HB   ASN   4          1HB       ASN   4  -4.417  -1.016  -1.091
   25   2HB   ASN   4          2HB       ASN   4  -4.021  -2.707  -0.856
   26   2HD2  ASN   4          1HD2      ASN   4  -5.882  -2.297  -2.616
   27   1HD2  ASN   4          2HD2      ASN   4  -7.478  -2.655  -2.048
   28    HA   PRO   5           HA       PRO   5  -2.147  -4.512   2.904
   29   1HB   PRO   5          1HB       PRO   5  -3.622  -6.808   3.066
   30   2HB   PRO   5          2HB       PRO   5  -3.642  -5.567   4.303
   31   1HG   PRO   5          1HG       PRO   5  -5.693  -6.184   2.267
   32   2HG   PRO   5          2HG       PRO   5  -5.859  -5.264   3.748
   33   1HD   PRO   5          1HD       PRO   5  -5.671  -4.213   1.087
   34   2HD   PRO   5          2HD       PRO   5  -5.720  -3.291   2.576
   35    H    ALA   6           H        ALA   6  -3.971  -5.272   0.048
   36    HA   ALA   6           HA       ALA   6  -2.273  -7.365  -0.788
   37   1HB   ALA   6          2HB       ALA   6  -4.109  -5.526  -2.376
   38   2HB   ALA   6          3HB       ALA   6  -3.449  -7.082  -2.933
   39   3HB   ALA   6          1HB       ALA   6  -4.597  -7.038  -1.574
   40    H    CYS   7           H        CYS   7  -1.743  -4.024  -0.405
   41    HA   CYS   7           HA       CYS   7  -0.170  -3.576  -2.712
   42   1HB   CYS   7          2HB       CYS   7   0.512  -1.525  -1.617
   43   2HB   CYS   7          1HB       CYS   7  -0.119  -2.086  -0.081
   44    H    GLY   8           H        GLY   8   0.302  -4.931   0.545
   45   1HA   GLY   8          1HA       GLY   8   2.082  -5.838   1.577
   46   2HA   GLY   8          2HA       GLY   8   2.605  -6.323  -0.024
   47    HA   PRO   9           HA       PRO   9   5.959  -3.620   0.638
   48   1HB   PRO   9          1HB       PRO   9   7.215  -3.930  -1.769
   49   2HB   PRO   9          2HB       PRO   9   7.411  -5.049  -0.435
   50   1HG   PRO   9          2HG       PRO   9   6.397  -6.611  -1.795
   51   2HG   PRO   9          1HG       PRO   9   5.845  -5.385  -2.919
   52   1HD   PRO   9          1HD       PRO   9   3.736  -5.567  -2.023
   53   2HD   PRO   9          2HD       PRO   9   4.316  -6.707  -0.825
   54    H    LYS  10           H        LYS  10   3.304  -2.957  -1.018
   55    HA   LYS  10           HA       LYS  10   4.422  -0.409  -1.962
   56   1HB   LYS  10          1HB       LYS  10   3.522  -1.957  -3.727
   57   2HB   LYS  10          2HB       LYS  10   1.941  -1.818  -2.985
   58   1HG   LYS  10          1HG       LYS  10   2.641   0.844  -3.191
   59   2HG   LYS  10          2HG       LYS  10   3.467   0.184  -4.589
   60   1HD   LYS  10          1HD       LYS  10   0.584  -0.590  -4.074
   61   2HD   LYS  10          2HD       LYS  10   0.937   0.976  -4.778
   62   1HE   LYS  10          1HE       LYS  10   2.556  -0.716  -6.289
   63   2HE   LYS  10          2HE       LYS  10   1.158  -1.727  -5.986
   64   1HZ   LYS  10          1HZ       LYS  10  -0.198   0.190  -6.741
   65   2HZ   LYS  10          2HZ       LYS  10   1.176   0.933  -7.219
   66   3HZ   LYS  10          3HZ       LYS  10   0.731  -0.479  -7.906
   67    H    TYR  11           H        TYR  11   2.750  -1.890   0.534
   68    HA   TYR  11           HA       TYR  11   0.575  -0.170   0.917
   69   1HB   TYR  11          1HB       TYR  11   1.052  -2.401   2.035
   70   2HB   TYR  11          2HB       TYR  11   2.452  -1.702   2.825
   71    HD1  TYR  11           HD1      TYR  11   1.935   0.440   4.324
   72    HD2  TYR  11           HD2      TYR  11  -0.953  -2.514   3.211
   73    HE1  TYR  11           HE1      TYR  11   0.480   1.108   6.299
   74    HE2  TYR  11           HE2      TYR  11  -2.398  -1.836   5.189
   75    HH   TYR  11           HH       TYR  11  -2.661   0.383   6.548
   76    H    SER  12           H        SER  12   0.609   1.998   1.222
   77    HA   SER  12           HA       SER  12   2.532   3.012   3.113
   78   1HB   SER  12          1HB       SER  12   2.896   3.329   0.303
   79   2HB   SER  12          2HB       SER  12   2.347   4.885   0.894
   80    HG   SER  12           HG       SER  12   4.610   3.361   1.868
   81    H    CYS  13           H        CYS  13   0.419   3.044   4.319
   82    HA   CYS  13           HA       CYS  13  -0.884   5.579   3.850
   83   1HB   CYS  13          1HB       CYS  13  -2.316   4.191   2.553
   84   2HB   CYS  13          2HB       CYS  13  -2.354   2.946   3.784

  No H/Q in entry =          84
  Start of MODEL   16
    1    H1   ILE   1           H1       ILE   1   0.951   6.018  -3.758
    2    H2   ILE   1           H2       ILE   1   2.291   6.591  -2.974
    3    H3   ILE   1           H3       ILE   1   2.344   5.124  -3.738
    4    HA   ILE   1           HA       ILE   1   2.170   4.573  -1.550
    5    HB   ILE   1           HB       ILE   1   0.203   5.687  -0.246
    6   1HG1  ILE   1          1HG1      ILE   1   0.730   7.878  -2.283
    7   2HG1  ILE   1          2HG1      ILE   1  -0.643   6.755  -2.434
    8   1HG2  ILE   1          1HG2      ILE   1   2.925   6.184  -0.465
    9   2HG2  ILE   1          2HG2      ILE   1   2.211   7.795  -0.723
   10   3HG2  ILE   1          3HG2      ILE   1   1.845   6.887   0.764
   11   1HD1  ILE   1          1HD1      ILE   1  -0.256   8.021   0.244
   12   2HD1  ILE   1          2HD1      ILE   1  -0.789   9.098  -1.070
   13   3HD1  ILE   1          3HD1      ILE   1  -1.758   7.668  -0.646
   14    H    CYS   2           H        CYS   2   0.296   3.349  -0.389
   15    HA   CYS   2           HA       CYS   2  -1.919   2.753  -2.111
   16   1HB   CYS   2          1HB       CYS   2   0.012   1.351  -2.965
   17   2HB   CYS   2          2HB       CYS   2  -0.024   0.502  -1.433
   18    H    CYS   3           H        CYS   3  -3.604   2.696  -0.667
   19    HA   CYS   3           HA       CYS   3  -2.965   2.013   2.089
   20   1HB   CYS   3          1HB       CYS   3  -4.172   4.166   1.404
   21   2HB   CYS   3          2HB       CYS   3  -5.564   3.155   1.073
   22    H    ASN   4           H        ASN   4  -2.724  -0.314   1.171
   23    HA   ASN   4           HA       ASN   4  -5.190  -1.638   1.681
   24   1HB   ASN   4          1HB       ASN   4  -4.487  -1.114  -1.039
   25   2HB   ASN   4          2HB       ASN   4  -4.089  -2.802  -0.777
   26   2HD2  ASN   4          1HD2      ASN   4  -5.860  -2.906  -2.426
   27   1HD2  ASN   4          2HD2      ASN   4  -7.489  -3.083  -1.862
   28    HA   PRO   5           HA       PRO   5  -2.182  -4.551   2.990
   29   1HB   PRO   5          1HB       PRO   5  -3.659  -6.842   3.187
   30   2HB   PRO   5          2HB       PRO   5  -3.670  -5.587   4.410
   31   1HG   PRO   5          1HG       PRO   5  -5.733  -6.227   2.391
   32   2HG   PRO   5          2HG       PRO   5  -5.891  -5.287   3.862
   33   1HD   PRO   5          1HD       PRO   5  -5.715  -4.270   1.186
   34   2HD   PRO   5          2HD       PRO   5  -5.756  -3.330   2.665
   35    H    ALA   6           H        ALA   6  -4.027  -5.355   0.156
   36    HA   ALA   6           HA       ALA   6  -2.329  -7.455  -0.663
   37   1HB   ALA   6          3HB       ALA   6  -4.450  -7.477  -1.636
   38   2HB   ALA   6          1HB       ALA   6  -4.451  -5.720  -1.922
   39   3HB   ALA   6          2HB       ALA   6  -3.460  -6.788  -2.945
   40    H    CYS   7           H        CYS   7  -1.805  -4.106  -0.331
   41    HA   CYS   7           HA       CYS   7  -0.250  -3.687  -2.654
   42   1HB   CYS   7          2HB       CYS   7   0.438  -1.621  -1.593
   43   2HB   CYS   7          1HB       CYS   7  -0.177  -2.163  -0.043
   44    H    GLY   8           H        GLY   8   0.252  -4.999   0.616
   45   1HA   GLY   8          1HA       GLY   8   2.044  -5.885   1.647
   46   2HA   GLY   8          2HA       GLY   8   2.547  -6.400   0.049
   47    HA   PRO   9           HA       PRO   9   5.912  -3.692   0.619
   48   1HB   PRO   9          1HB       PRO   9   7.136  -4.046  -1.799
   49   2HB   PRO   9          2HB       PRO   9   7.349  -5.141  -0.447
   50   1HG   PRO   9          2HG       PRO   9   6.315  -6.725  -1.768
   51   2HG   PRO   9          1HG       PRO   9   5.749  -5.517  -2.905
   52   1HD   PRO   9          1HD       PRO   9   3.652  -5.681  -1.979
   53   2HD   PRO   9          2HD       PRO   9   4.245  -6.800  -0.769
   54    H    LYS  10           H        LYS  10   3.237  -3.051  -1.010
   55    HA   LYS  10           HA       LYS  10   4.347  -0.522  -2.013
   56   1HB   LYS  10          1HB       LYS  10   3.412  -2.115  -3.732
   57   2HB   LYS  10          2HB       LYS  10   1.841  -1.924  -2.980
   58   1HG   LYS  10          1HG       LYS  10   2.173   0.632  -3.282
   59   2HG   LYS  10          2HG       LYS  10   3.532   0.232  -4.314
   60   1HD   LYS  10          1HD       LYS  10   2.145  -0.873  -5.923
   61   2HD   LYS  10          2HD       LYS  10   0.809  -1.028  -4.799
   62   1HE   LYS  10          2HE       LYS  10   0.980   1.668  -4.794
   63   2HE   LYS  10          1HE       LYS  10   0.025   0.800  -5.979
   64   1HZ   LYS  10          1HZ       LYS  10   2.473   0.788  -7.064
   65   2HZ   LYS  10          2HZ       LYS  10   1.297   1.859  -7.430
   66   3HZ   LYS  10          3HZ       LYS  10   2.446   2.251  -6.338
   67    H    TYR  11           H        TYR  11   2.712  -1.954   0.531
   68    HA   TYR  11           HA       TYR  11   0.544  -0.217   0.910
   69   1HB   TYR  11          1HB       TYR  11   1.020  -2.440   2.048
   70   2HB   TYR  11          2HB       TYR  11   2.426  -1.737   2.822
   71    HD1  TYR  11           HD1      TYR  11   1.906   0.449   4.277
   72    HD2  TYR  11           HD2      TYR  11  -0.961  -2.557   3.255
   73    HE1  TYR  11           HE1      TYR  11   0.462   1.147   6.250
   74    HE2  TYR  11           HE2      TYR  11  -2.395  -1.850   5.233
   75    HH   TYR  11           HH       TYR  11  -2.109   0.988   6.742
   76    H    SER  12           H        SER  12   0.597   1.954   1.191
   77    HA   SER  12           HA       SER  12   2.535   2.976   3.059
   78   1HB   SER  12          1HB       SER  12   2.934   3.230   0.257
   79   2HB   SER  12          2HB       SER  12   2.361   4.800   0.786
   80    HG   SER  12           HG       SER  12   4.653   4.707   0.973
   81    H    CYS  13           H        CYS  13   0.407   3.037   4.249
   82    HA   CYS  13           HA       CYS  13  -0.854   5.589   3.753
   83   1HB   CYS  13          1HB       CYS  13  -2.291   4.203   2.451
   84   2HB   CYS  13          2HB       CYS  13  -2.367   2.978   3.702

  No H/Q in entry =          84
  Start of MODEL   17
    1    H1   ILE   1           H1       ILE   1   1.569   6.145  -3.527
    2    H2   ILE   1           H2       ILE   1   3.065   6.231  -2.821
    3    H3   ILE   1           H3       ILE   1   2.577   4.831  -3.557
    4    HA   ILE   1           HA       ILE   1   2.438   4.534  -1.251
    5    HB   ILE   1           HB       ILE   1   0.718   6.059  -0.069
    6   1HG1  ILE   1          1HG1      ILE   1   1.463   7.902  -2.373
    7   2HG1  ILE   1          2HG1      ILE   1  -0.083   7.023  -2.289
    8   1HG2  ILE   1          1HG2      ILE   1   3.428   6.108  -0.226
    9   2HG2  ILE   1          2HG2      ILE   1   3.061   7.722  -0.880
   10   3HG2  ILE   1          3HG2      ILE   1   2.491   7.270   0.744
   11   1HD1  ILE   1          1HD1      ILE   1   0.849   8.687   0.058
   12   2HD1  ILE   1          2HD1      ILE   1   0.056   9.467  -1.331
   13   3HD1  ILE   1          3HD1      ILE   1  -0.806   8.217  -0.401
   14    H    CYS   2           H        CYS   2   0.654   3.355  -0.237
   15    HA   CYS   2           HA       CYS   2  -1.716   3.136  -1.906
   16   1HB   CYS   2          1HB       CYS   2   0.001   1.417  -2.624
   17   2HB   CYS   2          2HB       CYS   2  -0.181   0.682  -1.044
   18    H    CYS   3           H        CYS   3  -3.383   1.665  -0.652
   19    HA   CYS   3           HA       CYS   3  -2.909   1.750   2.212
   20   1HB   CYS   3          1HB       CYS   3  -4.110   3.882   1.299
   21   2HB   CYS   3          2HB       CYS   3  -5.505   2.831   1.162
   22    H    ASN   4           H        ASN   4  -2.670  -0.608   1.310
   23    HA   ASN   4           HA       ASN   4  -5.099  -1.921   1.904
   24   1HB   ASN   4          1HB       ASN   4  -4.598  -1.350  -0.855
   25   2HB   ASN   4          2HB       ASN   4  -4.219  -3.049  -0.653
   26   2HD2  ASN   4          1HD2      ASN   4  -5.868  -4.177  -1.349
   27   1HD2  ASN   4          2HD2      ASN   4  -7.537  -3.950  -0.946
   28    HA   PRO   5           HA       PRO   5  -2.079  -4.960   2.841
   29   1HB   PRO   5          1HB       PRO   5  -3.498  -7.296   2.790
   30   2HB   PRO   5          2HB       PRO   5  -3.544  -6.176   4.137
   31   1HG   PRO   5          1HG       PRO   5  -5.585  -6.652   2.053
   32   2HG   PRO   5          2HG       PRO   5  -5.770  -5.877   3.613
   33   1HD   PRO   5          1HD       PRO   5  -5.613  -4.579   1.060
   34   2HD   PRO   5          2HD       PRO   5  -5.681  -3.800   2.628
   35    H    ALA   6           H        ALA   6  -3.927  -5.584  -0.047
   36    HA   ALA   6           HA       ALA   6  -2.162  -7.516  -1.076
   37   1HB   ALA   6          1HB       ALA   6  -4.515  -5.974  -1.917
   38   2HB   ALA   6          2HB       ALA   6  -3.372  -6.266  -3.249
   39   3HB   ALA   6          3HB       ALA   6  -4.036  -7.638  -2.329
   40    H    CYS   7           H        CYS   7  -1.864  -4.112  -0.558
   41    HA   CYS   7           HA       CYS   7  -0.223  -3.531  -2.781
   42   1HB   CYS   7          1HB       CYS   7  -0.375  -2.088  -0.128
   43   2HB   CYS   7          2HB       CYS   7   0.283  -1.460  -1.626
   44    H    GLY   8           H        GLY   8   0.207  -4.913   0.470
   45   1HA   GLY   8          1HA       GLY   8   2.014  -5.664   1.584
   46   2HA   GLY   8          2HA       GLY   8   2.577  -6.184   0.008
   47    HA   PRO   9           HA       PRO   9   5.816  -3.331   0.601
   48   1HB   PRO   9          1HB       PRO   9   7.090  -3.647  -1.796
   49   2HB   PRO   9          2HB       PRO   9   7.326  -4.726  -0.436
   50   1HG   PRO   9          2HG       PRO   9   6.378  -6.356  -1.762
   51   2HG   PRO   9          1HG       PRO   9   5.781  -5.179  -2.915
   52   1HD   PRO   9          1HD       PRO   9   3.678  -5.422  -2.019
   53   2HD   PRO   9          2HD       PRO   9   4.298  -6.512  -0.795
   54    H    LYS  10           H        LYS  10   3.139  -2.800  -1.053
   55    HA   LYS  10           HA       LYS  10   4.165  -0.254  -2.100
   56   1HB   LYS  10          1HB       LYS  10   3.255  -1.849  -3.794
   57   2HB   LYS  10          2HB       LYS  10   1.702  -1.786  -2.986
   58   1HG   LYS  10          1HG       LYS  10   2.357   0.922  -3.292
   59   2HG   LYS  10          2HG       LYS  10   2.969   0.202  -4.768
   60   1HD   LYS  10          1HD       LYS  10   0.213  -0.607  -3.847
   61   2HD   LYS  10          2HD       LYS  10   0.407   0.993  -4.535
   62   1HE   LYS  10          1HE       LYS  10   1.588  -1.390  -5.988
   63   2HE   LYS  10          2HE       LYS  10  -0.134  -1.085  -6.107
   64   1HZ   LYS  10          1HZ       LYS  10   1.175   1.323  -6.478
   65   2HZ   LYS  10          2HZ       LYS  10   1.927   0.224  -7.423
   66   3HZ   LYS  10          3HZ       LYS  10   0.319   0.468  -7.575
   67    H    TYR  11           H        TYR  11   2.557  -1.706   0.478
   68    HA   TYR  11           HA       TYR  11   0.432   0.120   0.852
   69   1HB   TYR  11          1HB       TYR  11   0.748  -2.197   1.874
   70   2HB   TYR  11          2HB       TYR  11   2.143  -1.603   2.753
   71    HD1  TYR  11           HD1      TYR  11  -1.095   0.184   2.279
   72    HD2  TYR  11           HD2      TYR  11   1.450  -1.931   4.990
   73    HE1  TYR  11           HE1      TYR  11  -2.596   0.851   4.220
   74    HE2  TYR  11           HE2      TYR  11  -0.059  -1.257   6.921
   75    HH   TYR  11           HH       TYR  11  -1.866  -0.245   7.522
   76    H    SER  12           H        SER  12   0.590   2.256   1.300
   77    HA   SER  12           HA       SER  12   2.467   3.057   3.304
   78   1HB   SER  12          1HB       SER  12   3.229   3.298   0.606
   79   2HB   SER  12          2HB       SER  12   2.663   4.903   1.024
   80    HG   SER  12           HG       SER  12   4.796   3.381   2.213
   81    H    CYS  13           H        CYS  13   0.092   3.169   4.119
   82    HA   CYS  13           HA       CYS  13  -0.795   5.895   3.702
   83   1HB   CYS  13          1HB       CYS  13  -2.247   5.006   2.155
   84   2HB   CYS  13          2HB       CYS  13  -2.388   3.471   2.987

  No H/Q in entry =          84
  Start of MODEL   18
    1    H1   ILE   1           H1       ILE   1   1.078   6.119  -3.619
    2    H2   ILE   1           H2       ILE   1   2.242   6.883  -2.722
    3    H3   ILE   1           H3       ILE   1   2.562   5.414  -3.418
    4    HA   ILE   1           HA       ILE   1   2.197   4.773  -1.323
    5    HB   ILE   1           HB       ILE   1   0.171   5.865  -0.085
    6   1HG1  ILE   1          1HG1      ILE   1   0.775   8.238  -1.821
    7   2HG1  ILE   1          2HG1      ILE   1  -0.350   7.014  -2.455
    8   1HG2  ILE   1          1HG2      ILE   1   2.951   6.562  -0.420
    9   2HG2  ILE   1          2HG2      ILE   1   2.007   8.054  -0.188
   10   3HG2  ILE   1          3HG2      ILE   1   1.923   6.750   1.022
   11   1HD1  ILE   1          1HD1      ILE   1  -1.427   7.200  -0.042
   12   2HD1  ILE   1          2HD1      ILE   1  -0.614   8.782  -0.027
   13   3HD1  ILE   1          3HD1      ILE   1  -1.813   8.410  -1.289
   14    H    CYS   2           H        CYS   2   0.343   3.473  -0.278
   15    HA   CYS   2           HA       CYS   2  -1.841   2.926  -2.059
   16   1HB   CYS   2          1HB       CYS   2   0.121   1.574  -2.926
   17   2HB   CYS   2          2HB       CYS   2   0.064   0.669  -1.427
   18    H    CYS   3           H        CYS   3  -3.532   2.876  -0.620
   19    HA   CYS   3           HA       CYS   3  -2.942   2.069   2.109
   20   1HB   CYS   3          1HB       CYS   3  -4.140   4.240   1.496
   21   2HB   CYS   3          2HB       CYS   3  -5.522   3.246   1.080
   22    H    ASN   4           H        ASN   4  -2.674  -0.221   1.088
   23    HA   ASN   4           HA       ASN   4  -5.145  -1.571   1.513
   24   1HB   ASN   4          1HB       ASN   4  -4.378  -0.956  -1.172
   25   2HB   ASN   4          2HB       ASN   4  -3.991  -2.652  -0.956
   26   2HD2  ASN   4          1HD2      ASN   4  -5.882  -2.004  -2.725
   27   1HD2  ASN   4          2HD2      ASN   4  -7.468  -2.435  -2.180
   28    HA   PRO   5           HA       PRO   5  -2.148  -4.504   2.798
   29   1HB   PRO   5          1HB       PRO   5  -3.630  -6.797   2.931
   30   2HB   PRO   5          2HB       PRO   5  -3.652  -5.569   4.180
   31   1HG   PRO   5          2HG       PRO   5  -5.866  -5.254   3.619
   32   2HG   PRO   5          1HG       PRO   5  -5.696  -6.161   2.129
   33   1HD   PRO   5          1HD       PRO   5  -5.663  -4.178   0.967
   34   2HD   PRO   5          2HD       PRO   5  -5.716  -3.271   2.465
   35    H    ALA   6           H        ALA   6  -3.958  -5.225  -0.076
   36    HA   ALA   6           HA       ALA   6  -2.262  -7.317  -0.924
   37   1HB   ALA   6          3HB       ALA   6  -4.464  -7.189  -1.828
   38   2HB   ALA   6          1HB       ALA   6  -4.255  -5.485  -2.297
   39   3HB   ALA   6          2HB       ALA   6  -3.373  -6.763  -3.167
   40    H    CYS   7           H        CYS   7  -1.719  -3.985  -0.498
   41    HA   CYS   7           HA       CYS   7  -0.131  -3.523  -2.795
   42   1HB   CYS   7          1HB       CYS   7  -0.099  -2.048  -0.155
   43   2HB   CYS   7          2HB       CYS   7   0.544  -1.479  -1.683
   44    H    GLY   8           H        GLY   8   0.309  -4.906   0.454
   45   1HA   GLY   8          1HA       GLY   8   2.078  -5.825   1.495
   46   2HA   GLY   8          2HA       GLY   8   2.618  -6.291  -0.106
   47    HA   PRO   9           HA       PRO   9   5.963  -3.594   0.626
   48   1HB   PRO   9          1HB       PRO   9   7.249  -3.878  -1.769
   49   2HB   PRO   9          2HB       PRO   9   7.430  -5.010  -0.444
   50   1HG   PRO   9          2HG       PRO   9   6.433  -6.559  -1.833
   51   2HG   PRO   9          1HG       PRO   9   5.893  -5.322  -2.951
   52   1HD   PRO   9          1HD       PRO   9   3.774  -5.514  -2.082
   53   2HD   PRO   9          2HD       PRO   9   4.340  -6.666  -0.889
   54    H    LYS  10           H        LYS  10   3.328  -2.915  -1.055
   55    HA   LYS  10           HA       LYS  10   4.456  -0.357  -1.960
   56   1HB   LYS  10          1HB       LYS  10   3.585  -1.868  -3.760
   57   2HB   LYS  10          2HB       LYS  10   1.997  -1.776  -3.025
   58   1HG   LYS  10          1HG       LYS  10   2.732   0.912  -3.187
   59   2HG   LYS  10          2HG       LYS  10   3.443   0.243  -4.642
   60   1HD   LYS  10          1HD       LYS  10   0.571  -0.412  -3.901
   61   2HD   LYS  10          2HD       LYS  10   0.953   1.094  -4.710
   62   1HE   LYS  10          1HE       LYS  10   1.378   0.062  -6.715
   63   2HE   LYS  10          2HE       LYS  10   2.252  -1.258  -5.963
   64   1HZ   LYS  10          1HZ       LYS  10  -0.603  -1.162  -5.525
   65   2HZ   LYS  10          2HZ       LYS  10  -0.099  -1.578  -7.022
   66   3HZ   LYS  10          3HZ       LYS  10   0.376  -2.453  -5.728
   67    H    TYR  11           H        TYR  11   2.764  -1.860   0.507
   68    HA   TYR  11           HA       TYR  11   0.584  -0.142   0.884
   69   1HB   TYR  11          1HB       TYR  11   1.043  -2.383   1.984
   70   2HB   TYR  11          2HB       TYR  11   2.440  -1.700   2.791
   71    HD1  TYR  11           HD1      TYR  11   1.923   0.427   4.312
   72    HD2  TYR  11           HD2      TYR  11  -0.972  -2.499   3.143
   73    HE1  TYR  11           HE1      TYR  11   0.455   1.080   6.283
   74    HE2  TYR  11           HE2      TYR  11  -2.429  -1.836   5.117
   75    HH   TYR  11           HH       TYR  11  -1.361   0.694   7.377
   76    H    SER  12           H        SER  12   0.614   2.021   1.219
   77    HA   SER  12           HA       SER  12   2.521   3.013   3.137
   78   1HB   SER  12          1HB       SER  12   2.983   3.324   0.371
   79   2HB   SER  12          2HB       SER  12   2.315   4.865   0.869
   80    HG   SER  12           HG       SER  12   4.654   3.528   1.910
   81    H    CYS  13           H        CYS  13   0.406   3.040   4.331
   82    HA   CYS  13           HA       CYS  13  -0.899   5.576   3.872
   83   1HB   CYS  13          1HB       CYS  13  -2.321   4.193   2.560
   84   2HB   CYS  13          2HB       CYS  13  -2.365   2.941   3.786

  No H/Q in entry =          84
  Start of MODEL   19
    1    H1   ILE   1           H1       ILE   1   2.129   4.926  -3.766
    2    H2   ILE   1           H2       ILE   1   2.116   6.495  -3.234
    3    H3   ILE   1           H3       ILE   1   3.426   5.528  -2.932
    4    HA   ILE   1           HA       ILE   1   2.532   4.515  -1.223
    5    HB   ILE   1           HB       ILE   1   1.014   6.028   0.007
    6   1HG1  ILE   1          1HG1      ILE   1   1.004   7.899  -2.354
    7   2HG1  ILE   1          2HG1      ILE   1  -0.190   6.582  -2.295
    8   1HG2  ILE   1          1HG2      ILE   1   3.262   7.325  -1.584
    9   2HG2  ILE   1          2HG2      ILE   1   2.452   8.112  -0.207
   10   3HG2  ILE   1          3HG2      ILE   1   3.360   6.601   0.039
   11   1HD1  ILE   1          1HD1      ILE   1  -0.213   7.637   0.300
   12   2HD1  ILE   1          2HD1      ILE   1  -0.080   9.069  -0.749
   13   3HD1  ILE   1          3HD1      ILE   1  -1.429   7.928  -0.966
   14    H    CYS   2           H        CYS   2   0.763   3.306  -0.259
   15    HA   CYS   2           HA       CYS   2  -1.579   3.045  -1.960
   16   1HB   CYS   2          1HB       CYS   2   0.176   1.352  -2.651
   17   2HB   CYS   2          2HB       CYS   2  -0.020   0.616  -1.073
   18    H    CYS   3           H        CYS   3  -3.313   1.734  -0.743
   19    HA   CYS   3           HA       CYS   3  -2.856   1.764   2.135
   20   1HB   CYS   3          1HB       CYS   3  -4.106   3.862   1.093
   21   2HB   CYS   3          2HB       CYS   3  -5.479   2.774   1.130
   22    H    ASN   4           H        ASN   4  -2.595  -0.601   1.298
   23    HA   ASN   4           HA       ASN   4  -5.037  -1.912   1.830
   24   1HB   ASN   4          1HB       ASN   4  -4.463  -1.379  -0.917
   25   2HB   ASN   4          2HB       ASN   4  -4.058  -3.068  -0.682
   26   2HD2  ASN   4          1HD2      ASN   4  -5.992  -2.792  -2.323
   27   1HD2  ASN   4          2HD2      ASN   4  -7.562  -3.096  -1.657
   28    HA   PRO   5           HA       PRO   5  -2.029  -4.903   2.939
   29   1HB   PRO   5          1HB       PRO   5  -3.459  -7.232   2.964
   30   2HB   PRO   5          2HB       PRO   5  -3.514  -6.059   4.265
   31   1HG   PRO   5          2HG       PRO   5  -5.733  -5.770   3.705
   32   2HG   PRO   5          1HG       PRO   5  -5.534  -6.608   2.179
   33   1HD   PRO   5          1HD       PRO   5  -5.541  -4.576   1.104
   34   2HD   PRO   5          2HD       PRO   5  -5.623  -3.735   2.640
   35    H    ALA   6           H        ALA   6  -3.842  -5.619   0.053
   36    HA   ALA   6           HA       ALA   6  -2.088  -7.607  -0.880
   37   1HB   ALA   6          1HB       ALA   6  -4.434  -6.122  -1.773
   38   2HB   ALA   6          2HB       ALA   6  -3.266  -6.344  -3.098
   39   3HB   ALA   6          3HB       ALA   6  -3.893  -7.758  -2.217
   40    H    CYS   7           H        CYS   7  -1.810  -4.156  -0.555
   41    HA   CYS   7           HA       CYS   7  -0.115  -3.683  -2.742
   42   1HB   CYS   7          2HB       CYS   7   0.418  -1.589  -1.640
   43   2HB   CYS   7          1HB       CYS   7  -0.265  -2.163  -0.132
   44    H    GLY   8           H        GLY   8   0.275  -4.982   0.548
   45   1HA   GLY   8          1HA       GLY   8   2.065  -5.727   1.695
   46   2HA   GLY   8          2HA       GLY   8   2.629  -6.298   0.137
   47    HA   PRO   9           HA       PRO   9   5.906  -3.477   0.670
   48   1HB   PRO   9          1HB       PRO   9   7.187  -3.873  -1.712
   49   2HB   PRO   9          2HB       PRO   9   7.401  -4.920  -0.323
   50   1HG   PRO   9          1HG       PRO   9   5.859  -5.416  -2.797
   51   2HG   PRO   9          2HG       PRO   9   6.434  -6.572  -1.612
   52   1HD   PRO   9          1HD       PRO   9   3.750  -5.605  -1.906
   53   2HD   PRO   9          2HD       PRO   9   4.348  -6.671  -0.651
   54    H    LYS  10           H        LYS  10   3.245  -2.950  -1.010
   55    HA   LYS  10           HA       LYS  10   4.312  -0.443  -2.109
   56   1HB   LYS  10          1HB       LYS  10   3.400  -2.080  -3.772
   57   2HB   LYS  10          2HB       LYS  10   1.836  -1.956  -2.991
   58   1HG   LYS  10          1HG       LYS  10   2.495   0.720  -3.351
   59   2HG   LYS  10          2HG       LYS  10   3.220  -0.015  -4.767
   60   1HD   LYS  10          1HD       LYS  10   1.090  -1.013  -5.433
   61   2HD   LYS  10          2HD       LYS  10   0.337  -0.551  -3.921
   62   1HE   LYS  10          1HE       LYS  10   0.793   1.891  -4.534
   63   2HE   LYS  10          2HE       LYS  10   1.328   1.336  -6.107
   64   1HZ   LYS  10          1HZ       LYS  10  -1.286   0.543  -5.074
   65   2HZ   LYS  10          2HZ       LYS  10  -1.088   1.984  -5.817
   66   3HZ   LYS  10          3HZ       LYS  10  -0.777   0.598  -6.624
   67    H    TYR  11           H        TYR  11   2.615  -1.840   0.459
   68    HA   TYR  11           HA       TYR  11   0.537   0.059   0.762
   69   1HB   TYR  11          1HB       TYR  11   0.903  -2.327   1.772
   70   2HB   TYR  11          2HB       TYR  11   2.091  -1.604   2.837
   71    HD1  TYR  11           HD1      TYR  11  -0.291   0.879   2.437
   72    HD2  TYR  11           HD2      TYR  11   0.212  -2.927   4.326
   73    HE1  TYR  11           HE1      TYR  11  -2.129   1.453   4.098
   74    HE2  TYR  11           HE2      TYR  11  -1.627  -2.339   5.981
   75    HH   TYR  11           HH       TYR  11  -2.594  -0.230   6.921
   76    H    SER  12           H        SER  12   0.737   2.180   1.257
   77    HA   SER  12           HA       SER  12   2.608   2.904   3.296
   78   1HB   SER  12          1HB       SER  12   3.354   3.199   0.570
   79   2HB   SER  12          2HB       SER  12   2.917   4.809   1.108
   80    HG   SER  12           HG       SER  12   4.362   4.373   3.016
   81    H    CYS  13           H        CYS  13   0.159   3.020   3.998
   82    HA   CYS  13           HA       CYS  13  -0.588   5.799   3.742
   83   1HB   CYS  13          1HB       CYS  13  -1.912   5.077   1.976
   84   2HB   CYS  13          2HB       CYS  13  -2.270   3.533   2.727

  No H/Q in entry =          84
  Start of MODEL   20
    1    H1   ILE   1           H1       ILE   1   1.822   5.216  -3.676
    2    H2   ILE   1           H2       ILE   1   1.724   6.749  -3.056
    3    H3   ILE   1           H3       ILE   1   3.092   5.846  -2.820
    4    HA   ILE   1           HA       ILE   1   2.274   4.679  -1.169
    5    HB   ILE   1           HB       ILE   1   0.721   6.034   0.177
    6   1HG1  ILE   1          1HG1      ILE   1   0.517   8.011  -2.093
    7   2HG1  ILE   1          2HG1      ILE   1  -0.604   6.628  -2.036
    8   1HG2  ILE   1          1HG2      ILE   1   3.190   6.666  -0.243
    9   2HG2  ILE   1          2HG2      ILE   1   2.557   7.921  -1.336
   10   3HG2  ILE   1          3HG2      ILE   1   2.125   7.944   0.391
   11   1HD1  ILE   1          1HD1      ILE   1  -0.144   8.631   0.217
   12   2HD1  ILE   1          2HD1      ILE   1  -1.548   8.608  -0.876
   13   3HD1  ILE   1          3HD1      ILE   1  -1.280   7.260   0.254
   14    H    CYS   2           H        CYS   2   0.672   3.231  -0.338
   15    HA   CYS   2           HA       CYS   2  -1.739   3.008  -1.947
   16   1HB   CYS   2          1HB       CYS   2   0.075   1.523  -2.908
   17   2HB   CYS   2          2HB       CYS   2   0.016   0.608  -1.415
   18    H    CYS   3           H        CYS   3  -3.490   2.612  -0.603
   19    HA   CYS   3           HA       CYS   3  -2.826   1.921   2.160
   20   1HB   CYS   3          1HB       CYS   3  -4.050   4.125   1.460
   21   2HB   CYS   3          2HB       CYS   3  -5.457   3.089   1.312
   22    H    ASN   4           H        ASN   4  -2.648  -0.378   1.244
   23    HA   ASN   4           HA       ASN   4  -5.132  -1.664   1.676
   24   1HB   ASN   4          1HB       ASN   4  -4.502  -1.017  -1.018
   25   2HB   ASN   4          2HB       ASN   4  -4.062  -2.707  -0.864
   26   2HD2  ASN   4          1HD2      ASN   4  -5.601  -3.987  -1.511
   27   1HD2  ASN   4          2HD2      ASN   4  -7.305  -3.806  -1.255
   28    HA   PRO   5           HA       PRO   5  -2.204  -4.739   2.771
   29   1HB   PRO   5          1HB       PRO   5  -3.692  -7.030   2.718
   30   2HB   PRO   5          2HB       PRO   5  -3.737  -5.889   4.047
   31   1HG   PRO   5          1HG       PRO   5  -5.739  -6.336   1.918
   32   2HG   PRO   5          2HG       PRO   5  -5.939  -5.530   3.462
   33   1HD   PRO   5          1HD       PRO   5  -5.680  -4.281   0.894
   34   2HD   PRO   5          2HD       PRO   5  -5.762  -3.475   2.448
   35    H    ALA   6           H        ALA   6  -3.985  -5.326  -0.163
   36    HA   ALA   6           HA       ALA   6  -2.237  -7.328  -1.111
   37   1HB   ALA   6          1HB       ALA   6  -4.684  -6.223  -1.836
   38   2HB   ALA   6          2HB       ALA   6  -3.596  -5.698  -3.143
   39   3HB   ALA   6          3HB       ALA   6  -3.767  -7.429  -2.769
   40    H    CYS   7           H        CYS   7  -1.776  -4.009  -0.509
   41    HA   CYS   7           HA       CYS   7  -0.155  -3.428  -2.767
   42   1HB   CYS   7          1HB       CYS   7  -0.261  -2.006  -0.101
   43   2HB   CYS   7          2HB       CYS   7   0.409  -1.384  -1.596
   44    H    GLY   8           H        GLY   8   0.232  -4.854   0.471
   45   1HA   GLY   8          1HA       GLY   8   2.016  -5.669   1.579
   46   2HA   GLY   8          2HA       GLY   8   2.563  -6.190  -0.002
   47    HA   PRO   9           HA       PRO   9   5.886  -3.442   0.613
   48   1HB   PRO   9          1HB       PRO   9   7.146  -3.769  -1.791
   49   2HB   PRO   9          2HB       PRO   9   7.352  -4.869  -0.443
   50   1HG   PRO   9          1HG       PRO   9   5.789  -5.249  -2.924
   51   2HG   PRO   9          2HG       PRO   9   6.353  -6.457  -1.786
   52   1HD   PRO   9          1HD       PRO   9   3.681  -5.440  -2.026
   53   2HD   PRO   9          2HD       PRO   9   4.271  -6.560  -0.816
   54    H    LYS  10           H        LYS  10   3.224  -2.814  -1.033
   55    HA   LYS  10           HA       LYS  10   4.323  -0.283  -2.043
   56   1HB   LYS  10          1HB       LYS  10   3.365  -1.868  -3.748
   57   2HB   LYS  10          2HB       LYS  10   1.807  -1.697  -2.967
   58   1HG   LYS  10          1HG       LYS  10   2.465   0.945  -3.246
   59   2HG   LYS  10          2HG       LYS  10   3.333   0.283  -4.617
   60   1HD   LYS  10          1HD       LYS  10   0.456  -0.541  -4.150
   61   2HD   LYS  10          2HD       LYS  10   0.792   1.022  -4.870
   62   1HE   LYS  10          1HE       LYS  10   1.590   0.104  -6.843
   63   2HE   LYS  10          2HE       LYS  10   2.304  -1.281  -6.041
   64   1HZ   LYS  10          1HZ       LYS  10  -0.356  -1.581  -5.650
   65   2HZ   LYS  10          2HZ       LYS  10  -0.270  -1.016  -7.180
   66   3HZ   LYS  10          3HZ       LYS  10   0.542  -2.371  -6.763
   67    H    TYR  11           H        TYR  11   2.681  -1.720   0.512
   68    HA   TYR  11           HA       TYR  11   0.583   0.133   0.897
   69   1HB   TYR  11          1HB       TYR  11   0.884  -2.198   1.905
   70   2HB   TYR  11          2HB       TYR  11   2.271  -1.611   2.801
   71    HD1  TYR  11           HD1      TYR  11  -1.050   0.036   2.274
   72    HD2  TYR  11           HD2      TYR  11   1.643  -1.793   5.050
   73    HE1  TYR  11           HE1      TYR  11  -2.571   0.703   4.200
   74    HE2  TYR  11           HE2      TYR  11   0.114  -1.120   6.967
   75    HH   TYR  11           HH       TYR  11  -2.951  -0.348   6.639
   76    H    SER  12           H        SER  12   0.776   2.267   1.346
   77    HA   SER  12           HA       SER  12   2.731   3.021   3.316
   78   1HB   SER  12          1HB       SER  12   3.260   3.398   0.554
   79   2HB   SER  12          2HB       SER  12   2.779   4.976   1.144
   80    HG   SER  12           HG       SER  12   4.863   3.296   2.256
   81    H    CYS  13           H        CYS  13   0.372   3.033   4.241
   82    HA   CYS  13           HA       CYS  13  -0.534   5.771   4.070
   83   1HB   CYS  13          1HB       CYS  13  -1.985   4.984   2.438
   84   2HB   CYS  13          2HB       CYS  13  -2.187   3.423   3.208

  No H/Q in entry =          84
  Start of MODEL   21
    1    H1   ILE   1           H1       ILE   1   1.391   6.101  -3.647
    2    H2   ILE   1           H2       ILE   1   2.818   6.507  -2.913
    3    H3   ILE   1           H3       ILE   1   2.640   5.015  -3.610
    4    HA   ILE   1           HA       ILE   1   2.451   4.617  -1.380
    5    HB   ILE   1           HB       ILE   1   0.625   6.033  -0.145
    6   1HG1  ILE   1          2HG1      ILE   1   1.349   7.804  -2.518
    7   2HG1  ILE   1          1HG1      ILE   1   0.502   8.362  -1.056
    8   1HG2  ILE   1          1HG2      ILE   1   3.444   6.285  -0.559
    9   2HG2  ILE   1          2HG2      ILE   1   2.763   7.930  -0.520
   10   3HG2  ILE   1          3HG2      ILE   1   2.490   6.821   0.845
   11   1HD1  ILE   1          1HD1      ILE   1  -1.026   6.201  -1.695
   12   2HD1  ILE   1          2HD1      ILE   1  -1.362   7.846  -2.285
   13   3HD1  ILE   1          3HD1      ILE   1  -0.487   6.692  -3.319
   14    H    CYS   2           H        CYS   2   0.575   3.542  -0.207
   15    HA   CYS   2           HA       CYS   2  -1.753   3.162  -1.871
   16   1HB   CYS   2          1HB       CYS   2   0.003   1.508  -2.639
   17   2HB   CYS   2          2HB       CYS   2  -0.109   0.764  -1.055
   18    H    CYS   3           H        CYS   3  -3.340   1.633  -0.587
   19    HA   CYS   3           HA       CYS   3  -2.801   1.681   2.261
   20   1HB   CYS   3          1HB       CYS   3  -4.003   3.838   1.477
   21   2HB   CYS   3          2HB       CYS   3  -5.408   2.810   1.273
   22    H    ASN   4           H        ASN   4  -2.590  -0.652   1.259
   23    HA   ASN   4           HA       ASN   4  -4.985  -1.991   1.918
   24   1HB   ASN   4          1HB       ASN   4  -4.148  -1.707  -0.971
   25   2HB   ASN   4          2HB       ASN   4  -4.746  -3.275  -0.465
   26   2HD2  ASN   4          1HD2      ASN   4  -6.856  -3.551   0.147
   27   1HD2  ASN   4          2HD2      ASN   4  -8.100  -2.375  -0.114
   28    HA   PRO   5           HA       PRO   5  -1.899  -5.026   2.620
   29   1HB   PRO   5          1HB       PRO   5  -3.334  -7.352   2.672
   30   2HB   PRO   5          2HB       PRO   5  -3.264  -6.239   4.024
   31   1HG   PRO   5          1HG       PRO   5  -5.469  -6.689   2.107
   32   2HG   PRO   5          2HG       PRO   5  -5.523  -5.920   3.681
   33   1HD   PRO   5          1HD       PRO   5  -5.562  -4.611   1.129
   34   2HD   PRO   5          2HD       PRO   5  -5.497  -3.841   2.702
   35    H    ALA   6           H        ALA   6  -3.895  -5.432  -0.173
   36    HA   ALA   6           HA       ALA   6  -2.348  -7.467  -1.350
   37   1HB   ALA   6          3HB       ALA   6  -4.508  -7.215  -2.214
   38   2HB   ALA   6          1HB       ALA   6  -4.380  -5.441  -2.287
   39   3HB   ALA   6          2HB       ALA   6  -3.507  -6.446  -3.469
   40    H    CYS   7           H        CYS   7  -1.705  -4.153  -0.674
   41    HA   CYS   7           HA       CYS   7  -0.022  -3.735  -2.954
   42   1HB   CYS   7          2HB       CYS   7   0.533  -1.613  -1.895
   43   2HB   CYS   7          1HB       CYS   7  -0.272  -2.105  -0.418
   44    H    GLY   8           H        GLY   8   0.161  -5.005   0.344
   45   1HA   GLY   8          1HA       GLY   8   1.867  -5.763   1.606
   46   2HA   GLY   8          2HA       GLY   8   2.527  -6.334   0.087
   47    HA   PRO   9           HA       PRO   9   5.784  -3.541   0.840
   48   1HB   PRO   9          1HB       PRO   9   7.207  -3.931  -1.460
   49   2HB   PRO   9          2HB       PRO   9   7.327  -4.990  -0.069
   50   1HG   PRO   9          1HG       PRO   9   5.940  -5.455  -2.638
   51   2HG   PRO   9          2HG       PRO   9   6.431  -6.624  -1.427
   52   1HD   PRO   9          1HD       PRO   9   3.776  -5.635  -1.882
   53   2HD   PRO   9          2HD       PRO   9   4.288  -6.713  -0.599
   54    H    LYS  10           H        LYS  10   3.240  -2.988  -1.013
   55    HA   LYS  10           HA       LYS  10   4.390  -0.477  -2.015
   56   1HB   LYS  10          1HB       LYS  10   3.634  -2.003  -3.792
   57   2HB   LYS  10          2HB       LYS  10   2.035  -2.064  -3.079
   58   1HG   LYS  10          1HG       LYS  10   2.772   0.715  -3.363
   59   2HG   LYS  10          2HG       LYS  10   3.107  -0.088  -4.884
   60   1HD   LYS  10          1HD       LYS  10   0.799  -0.992  -4.953
   61   2HD   LYS  10          2HD       LYS  10   0.452  -0.290  -3.385
   62   1HE   LYS  10          2HE       LYS  10   1.325   1.948  -4.697
   63   2HE   LYS  10          1HE       LYS  10  -0.358   1.465  -4.626
   64   1HZ   LYS  10          1HZ       LYS  10   1.212   0.239  -6.706
   65   2HZ   LYS  10          2HZ       LYS  10  -0.320   0.805  -6.751
   66   3HZ   LYS  10          3HZ       LYS  10   0.937   1.840  -6.877
   67    H    TYR  11           H        TYR  11   2.713  -1.775   0.532
   68    HA   TYR  11           HA       TYR  11   0.532   0.049   0.688
   69   1HB   TYR  11          1HB       TYR  11   0.657  -2.208   1.795
   70   2HB   TYR  11          2HB       TYR  11   2.097  -1.721   2.667
   71    HD1  TYR  11           HD1      TYR  11  -1.084   0.188   2.167
   72    HD2  TYR  11           HD2      TYR  11   1.476  -1.847   4.925
   73    HE1  TYR  11           HE1      TYR  11  -2.523   0.988   4.103
   74    HE2  TYR  11           HE2      TYR  11   0.029  -1.039   6.852
   75    HH   TYR  11           HH       TYR  11  -2.974   0.006   6.535
   76    H    SER  12           H        SER  12   0.674   2.189   1.119
   77    HA   SER  12           HA       SER  12   2.526   2.999   3.167
   78   1HB   SER  12          1HB       SER  12   3.204   3.317   0.448
   79   2HB   SER  12          2HB       SER  12   2.622   4.898   0.932
   80    HG   SER  12           HG       SER  12   4.137   4.296   2.947
   81    H    CYS  13           H        CYS  13   0.299   3.133   4.174
   82    HA   CYS  13           HA       CYS  13  -0.742   5.791   3.730
   83   1HB   CYS  13          1HB       CYS  13  -2.234   4.779   2.280
   84   2HB   CYS  13          2HB       CYS  13  -2.305   3.292   3.203

  No H/Q in entry =          84
  Start of MODEL   22
    1    H1   ILE   1           H1       ILE   1   0.731   6.074  -3.796
    2    H2   ILE   1           H2       ILE   1   2.071   6.745  -3.093
    3    H3   ILE   1           H3       ILE   1   2.141   5.210  -3.711
    4    HA   ILE   1           HA       ILE   1   1.948   4.720  -1.560
    5    HB   ILE   1           HB       ILE   1   0.211   6.169  -0.196
    6   1HG1  ILE   1          1HG1      ILE   1   1.091   8.269  -2.179
    7   2HG1  ILE   1          2HG1      ILE   1  -0.375   7.312  -2.504
    8   1HG2  ILE   1          1HG2      ILE   1   3.025   6.291  -0.726
    9   2HG2  ILE   1          2HG2      ILE   1   2.425   7.961  -0.587
   10   3HG2  ILE   1          3HG2      ILE   1   2.157   6.805   0.741
   11   1HD1  ILE   1          1HD1      ILE   1  -1.225   7.938  -0.225
   12   2HD1  ILE   1          2HD1      ILE   1   0.192   8.998  -0.029
   13   3HD1  ILE   1          3HD1      ILE   1  -1.006   9.339  -1.301
   14    H    CYS   2           H        CYS   2   0.366   3.385  -0.454
   15    HA   CYS   2           HA       CYS   2  -2.191   3.184  -1.824
   16   1HB   CYS   2          1HB       CYS   2  -1.119   1.541  -3.043
   17   2HB   CYS   2          2HB       CYS   2  -0.096   1.051  -1.707
   18    H    CYS   3           H        CYS   3  -3.739   1.802  -0.471
   19    HA   CYS   3           HA       CYS   3  -2.887   1.673   2.319
   20   1HB   CYS   3          1HB       CYS   3  -4.248   3.784   1.707
   21   2HB   CYS   3          2HB       CYS   3  -5.617   2.699   1.574
   22    H    ASN   4           H        ASN   4  -2.733  -0.563   0.845
   23    HA   ASN   4           HA       ASN   4  -5.092  -2.007   1.685
   24   1HB   ASN   4          1HB       ASN   4  -3.858  -2.664  -1.010
   25   2HB   ASN   4          2HB       ASN   4  -5.463  -3.053  -0.424
   26   2HD2  ASN   4          1HD2      ASN   4  -4.337  -1.586  -2.816
   27   1HD2  ASN   4          2HD2      ASN   4  -5.216  -0.095  -2.902
   28    HA   PRO   5           HA       PRO   5  -1.933  -4.848   2.775
   29   1HB   PRO   5          1HB       PRO   5  -3.343  -7.174   3.043
   30   2HB   PRO   5          2HB       PRO   5  -3.301  -5.930   4.277
   31   1HG   PRO   5          2HG       PRO   5  -5.559  -5.676   3.880
   32   2HG   PRO   5          1HG       PRO   5  -5.478  -6.598   2.392
   33   1HD   PRO   5          1HD       PRO   5  -5.581  -4.629   1.211
   34   2HD   PRO   5          2HD       PRO   5  -5.545  -3.704   2.699
   35    H    ALA   6           H        ALA   6  -3.870  -5.513  -0.001
   36    HA   ALA   6           HA       ALA   6  -2.296  -7.653  -0.949
   37   1HB   ALA   6          2HB       ALA   6  -3.951  -5.704  -2.589
   38   2HB   ALA   6          1HB       ALA   6  -4.676  -6.996  -1.603
   39   3HB   ALA   6          3HB       ALA   6  -3.587  -7.407  -2.949
   40    H    CYS   7           H        CYS   7  -1.680  -4.291  -0.575
   41    HA   CYS   7           HA       CYS   7  -0.002  -4.037  -2.873
   42   1HB   CYS   7          2HB       CYS   7   0.601  -1.862  -1.907
   43   2HB   CYS   7          1HB       CYS   7  -0.270  -2.259  -0.440
   44    H    GLY   8           H        GLY   8   0.206  -5.137   0.477
   45   1HA   GLY   8          1HA       GLY   8   1.920  -5.834   1.764
   46   2HA   GLY   8          2HA       GLY   8   2.578  -6.468   0.269
   47    HA   PRO   9           HA       PRO   9   5.825  -3.632   0.882
   48   1HB   PRO   9          1HB       PRO   9   7.236  -4.109  -1.410
   49   2HB   PRO   9          2HB       PRO   9   7.369  -5.108   0.023
   50   1HG   PRO   9          1HG       PRO   9   5.968  -5.684  -2.516
   51   2HG   PRO   9          2HG       PRO   9   6.471  -6.801  -1.262
   52   1HD   PRO   9          1HD       PRO   9   3.810  -5.843  -1.739
   53   2HD   PRO   9          2HD       PRO   9   4.334  -6.866  -0.416
   54    H    LYS  10           H        LYS  10   3.268  -3.167  -0.979
   55    HA   LYS  10           HA       LYS  10   4.398  -0.689  -2.081
   56   1HB   LYS  10          1HB       LYS  10   3.671  -2.257  -3.814
   57   2HB   LYS  10          2HB       LYS  10   2.080  -2.366  -3.086
   58   1HG   LYS  10          1HG       LYS  10   2.767   0.436  -3.476
   59   2HG   LYS  10          2HG       LYS  10   3.006  -0.432  -4.979
   60   1HD   LYS  10          1HD       LYS  10   0.599  -1.498  -4.177
   61   2HD   LYS  10          2HD       LYS  10   0.479   0.103  -3.477
   62   1HE   LYS  10          1HE       LYS  10   1.330  -0.273  -6.374
   63   2HE   LYS  10          2HE       LYS  10  -0.364  -0.239  -5.930
   64   1HZ   LYS  10          1HZ       LYS  10   1.080   1.881  -4.738
   65   2HZ   LYS  10          2HZ       LYS  10   1.206   1.914  -6.366
   66   3HZ   LYS  10          3HZ       LYS  10  -0.267   1.936  -5.660
   67    H    TYR  11           H        TYR  11   2.736  -1.900   0.514
   68    HA   TYR  11           HA       TYR  11   0.524  -0.119   0.605
   69   1HB   TYR  11          1HB       TYR  11   0.724  -2.303   1.839
   70   2HB   TYR  11          2HB       TYR  11   2.164  -1.729   2.658
   71    HD1  TYR  11           HD1      TYR  11  -1.473  -0.924   2.256
   72    HD2  TYR  11           HD2      TYR  11   1.980  -0.754   4.775
   73    HE1  TYR  11           HE1      TYR  11  -2.902  -0.048   4.168
   74    HE2  TYR  11           HE2      TYR  11   0.540   0.122   6.679
   75    HH   TYR  11           HH       TYR  11  -2.677  -0.151   6.775
   76    H    SER  12           H        SER  12   0.589   2.042   0.938
   77    HA   SER  12           HA       SER  12   2.528   3.010   2.848
   78   1HB   SER  12          1HB       SER  12   2.951   3.291   0.080
   79   2HB   SER  12          2HB       SER  12   2.289   4.842   0.560
   80    HG   SER  12           HG       SER  12   4.708   3.562   1.404
   81    H    CYS  13           H        CYS  13   0.483   3.114   4.122
   82    HA   CYS  13           HA       CYS  13  -0.823   5.646   3.642
   83   1HB   CYS  13          1HB       CYS  13  -2.360   4.351   2.449
   84   2HB   CYS  13          2HB       CYS  13  -2.259   3.007   3.569

  No H/Q in entry =          84
  Start of MODEL   23
    1    H1   ILE   1           H1       ILE   1   1.716   5.236  -3.726
    2    H2   ILE   1           H2       ILE   1   1.788   6.738  -3.034
    3    H3   ILE   1           H3       ILE   1   3.074   5.704  -2.905
    4    HA   ILE   1           HA       ILE   1   2.272   4.638  -1.205
    5    HB   ILE   1           HB       ILE   1   0.659   5.971   0.121
    6   1HG1  ILE   1          1HG1      ILE   1   0.515   8.144  -1.880
    7   2HG1  ILE   1          2HG1      ILE   1  -0.381   6.677  -2.341
    8   1HG2  ILE   1          1HG2      ILE   1   2.951   7.304  -1.331
    9   2HG2  ILE   1          2HG2      ILE   1   1.978   8.228  -0.163
   10   3HG2  ILE   1          3HG2      ILE   1   2.852   6.770   0.363
   11   1HD1  ILE   1          1HD1      ILE   1  -0.624   7.982   0.396
   12   2HD1  ILE   1          2HD1      ILE   1  -1.700   8.373  -0.967
   13   3HD1  ILE   1          3HD1      ILE   1  -1.665   6.721  -0.306
   14    H    CYS   2           H        CYS   2   0.591   3.269  -0.290
   15    HA   CYS   2           HA       CYS   2  -1.767   2.965  -1.950
   16   1HB   CYS   2          1HB       CYS   2   0.068   1.465  -2.846
   17   2HB   CYS   2          2HB       CYS   2  -0.011   0.586  -1.332
   18    H    CYS   3           H        CYS   3  -3.537   2.595  -0.624
   19    HA   CYS   3           HA       CYS   3  -2.910   1.976   2.166
   20   1HB   CYS   3          1HB       CYS   3  -4.134   4.157   1.388
   21   2HB   CYS   3          2HB       CYS   3  -5.534   3.112   1.257
   22    H    ASN   4           H        ASN   4  -2.715  -0.346   1.327
   23    HA   ASN   4           HA       ASN   4  -5.188  -1.634   1.767
   24   1HB   ASN   4          1HB       ASN   4  -4.577  -1.028  -0.942
   25   2HB   ASN   4          2HB       ASN   4  -4.129  -2.712  -0.763
   26   2HD2  ASN   4          1HD2      ASN   4  -5.827  -3.275  -2.152
   27   1HD2  ASN   4          2HD2      ASN   4  -7.474  -3.353  -1.622
   28    HA   PRO   5           HA       PRO   5  -2.241  -4.681   2.888
   29   1HB   PRO   5          1HB       PRO   5  -3.715  -6.983   2.867
   30   2HB   PRO   5          2HB       PRO   5  -3.764  -5.825   4.182
   31   1HG   PRO   5          2HG       PRO   5  -5.970  -5.487   3.597
   32   2HG   PRO   5          1HG       PRO   5  -5.768  -6.311   2.063
   33   1HD   PRO   5          1HD       PRO   5  -5.723  -4.267   1.013
   34   2HD   PRO   5          2HD       PRO   5  -5.808  -3.443   2.558
   35    H    ALA   6           H        ALA   6  -4.026  -5.319  -0.032
   36    HA   ALA   6           HA       ALA   6  -2.262  -7.318  -0.959
   37   1HB   ALA   6          2HB       ALA   6  -4.112  -5.456  -2.503
   38   2HB   ALA   6          1HB       ALA   6  -4.610  -6.979  -1.727
   39   3HB   ALA   6          3HB       ALA   6  -3.447  -7.005  -3.075
   40    H    CYS   7           H        CYS   7  -1.819  -3.996  -0.391
   41    HA   CYS   7           HA       CYS   7  -0.251  -3.387  -2.668
   42   1HB   CYS   7          2HB       CYS   7   0.363  -1.372  -1.468
   43   2HB   CYS   7          1HB       CYS   7  -0.267  -2.025   0.032
   44    H    GLY   8           H        GLY   8   0.244  -4.853   0.544
   45   1HA   GLY   8          1HA       GLY   8   2.063  -5.690   1.576
   46   2HA   GLY   8          2HA       GLY   8   2.541  -6.209  -0.029
   47    HA   PRO   9           HA       PRO   9   5.911  -3.495   0.453
   48   1HB   PRO   9          1HB       PRO   9   7.049  -3.795  -2.013
   49   2HB   PRO   9          2HB       PRO   9   7.310  -4.919  -0.695
   50   1HG   PRO   9          1HG       PRO   9   5.624  -5.245  -3.101
   51   2HG   PRO   9          2HG       PRO   9   6.230  -6.475  -2.011
   52   1HD   PRO   9          1HD       PRO   9   3.561  -5.430  -2.105
   53   2HD   PRO   9          2HD       PRO   9   4.198  -6.574  -0.941
   54    H    LYS  10           H        LYS  10   3.178  -2.816  -1.050
   55    HA   LYS  10           HA       LYS  10   4.251  -0.274  -2.058
   56   1HB   LYS  10          1HB       LYS  10   3.223  -1.832  -3.754
   57   2HB   LYS  10          2HB       LYS  10   1.692  -1.646  -2.922
   58   1HG   LYS  10          1HG       LYS  10   2.152   0.948  -3.179
   59   2HG   LYS  10          2HG       LYS  10   3.294   0.454  -4.414
   60   1HD   LYS  10          1HD       LYS  10   0.618  -0.854  -4.598
   61   2HD   LYS  10          2HD       LYS  10   0.603   0.879  -4.856
   62   1HE   LYS  10          1HE       LYS  10   1.473   0.626  -6.936
   63   2HE   LYS  10          2HE       LYS  10   2.861  -0.229  -6.292
   64   1HZ   LYS  10          1HZ       LYS  10   0.261  -1.501  -6.785
   65   2HZ   LYS  10          2HZ       LYS  10   1.507  -1.536  -7.839
   66   3HZ   LYS  10          3HZ       LYS  10   1.653  -2.250  -6.377
   67    H    TYR  11           H        TYR  11   2.672  -1.771   0.512
   68    HA   TYR  11           HA       TYR  11   0.582   0.034   1.022
   69   1HB   TYR  11          1HB       TYR  11   1.062  -2.290   2.017
   70   2HB   TYR  11          2HB       TYR  11   2.427  -1.602   2.873
   71    HD1  TYR  11           HD1      TYR  11   1.745   0.610   4.312
   72    HD2  TYR  11           HD2      TYR  11  -0.885  -2.588   3.234
   73    HE1  TYR  11           HE1      TYR  11   0.220   1.198   6.260
   74    HE2  TYR  11           HE2      TYR  11  -2.400  -1.990   5.186
   75    HH   TYR  11           HH       TYR  11  -2.891  -0.363   6.647
   76    H    SER  12           H        SER  12   0.730   2.179   1.431
   77    HA   SER  12           HA       SER  12   2.705   3.026   3.328
   78   1HB   SER  12          1HB       SER  12   3.198   3.336   0.541
   79   2HB   SER  12          2HB       SER  12   2.738   4.926   1.118
   80    HG   SER  12           HG       SER  12   4.499   5.034   2.421
   81    H    CYS  13           H        CYS  13   0.370   3.057   4.283
   82    HA   CYS  13           HA       CYS  13  -0.583   5.770   4.004
   83   1HB   CYS  13          1HB       CYS  13  -2.020   4.847   2.411
   84   2HB   CYS  13          2HB       CYS  13  -2.235   3.359   3.310

  No H/Q in entry =          84
  Start of MODEL   24
    1    H1   ILE   1           H1       ILE   1   0.807   6.288  -3.640
    2    H2   ILE   1           H2       ILE   1   1.924   7.127  -2.753
    3    H3   ILE   1           H3       ILE   1   2.361   5.730  -3.525
    4    HA   ILE   1           HA       ILE   1   2.139   4.936  -1.471
    5    HB   ILE   1           HB       ILE   1   0.105   5.820  -0.075
    6   1HG1  ILE   1          1HG1      ILE   1   0.485   8.338  -1.648
    7   2HG1  ILE   1          2HG1      ILE   1  -0.558   7.087  -2.366
    8   1HG2  ILE   1          1HG2      ILE   1   2.784   6.436  -0.200
    9   2HG2  ILE   1          2HG2      ILE   1   2.041   8.038  -0.424
   10   3HG2  ILE   1          3HG2      ILE   1   1.659   7.073   1.022
   11   1HD1  ILE   1          1HD1      ILE   1  -1.657   6.978   0.004
   12   2HD1  ILE   1          2HD1      ILE   1  -0.886   8.562   0.257
   13   3HD1  ILE   1          3HD1      ILE   1  -2.064   8.345  -1.061
   14    H    CYS   2           H        CYS   2   0.177   3.679  -0.290
   15    HA   CYS   2           HA       CYS   2  -1.939   2.988  -2.065
   16   1HB   CYS   2          1HB       CYS   2   0.066   1.733  -2.981
   17   2HB   CYS   2          2HB       CYS   2   0.072   0.809  -1.491
   18    H    CYS   3           H        CYS   3  -3.607   2.816  -0.609
   19    HA   CYS   3           HA       CYS   3  -2.923   1.982   2.097
   20   1HB   CYS   3          1HB       CYS   3  -4.164   4.156   1.579
   21   2HB   CYS   3          2HB       CYS   3  -5.544   3.156   1.172
   22    H    ASN   4           H        ASN   4  -2.659  -0.282   1.067
   23    HA   ASN   4           HA       ASN   4  -5.091  -1.676   1.508
   24   1HB   ASN   4          1HB       ASN   4  -3.995  -1.283  -1.266
   25   2HB   ASN   4          2HB       ASN   4  -4.504  -2.912  -0.870
   26   2HD2  ASN   4          1HD2      ASN   4  -6.608  -2.616   0.756
   27   1HD2  ASN   4          2HD2      ASN   4  -7.924  -1.803  -0.021
   28    HA   PRO   5           HA       PRO   5  -1.984  -4.585   2.575
   29   1HB   PRO   5          1HB       PRO   5  -3.443  -6.888   2.778
   30   2HB   PRO   5          2HB       PRO   5  -3.387  -5.675   4.040
   31   1HG   PRO   5          1HG       PRO   5  -5.559  -6.254   2.122
   32   2HG   PRO   5          2HG       PRO   5  -5.636  -5.367   3.631
   33   1HD   PRO   5          1HD       PRO   5  -5.614  -4.258   0.986
   34   2HD   PRO   5          2HD       PRO   5  -5.573  -3.368   2.495
   35    H    ALA   6           H        ALA   6  -3.911  -5.149  -0.231
   36    HA   ALA   6           HA       ALA   6  -2.393  -7.303  -1.218
   37   1HB   ALA   6          1HB       ALA   6  -4.751  -6.374  -1.869
   38   2HB   ALA   6          3HB       ALA   6  -3.711  -7.059  -3.141
   39   3HB   ALA   6          2HB       ALA   6  -3.839  -5.294  -2.950
   40    H    CYS   7           H        CYS   7  -1.597  -4.026  -0.669
   41    HA   CYS   7           HA       CYS   7   0.113  -3.748  -2.950
   42   1HB   CYS   7          2HB       CYS   7   0.768  -1.633  -1.947
   43   2HB   CYS   7          1HB       CYS   7  -0.052  -2.048  -0.454
   44    H    GLY   8           H        GLY   8   0.211  -4.988   0.354
   45   1HA   GLY   8          1HA       GLY   8   1.864  -5.822   1.636
   46   2HA   GLY   8          2HA       GLY   8   2.529  -6.412   0.126
   47    HA   PRO   9           HA       PRO   9   5.873  -3.745   0.944
   48   1HB   PRO   9          1HB       PRO   9   7.320  -4.178  -1.334
   49   2HB   PRO   9          2HB       PRO   9   7.377  -5.244   0.055
   50   1HG   PRO   9          2HG       PRO   9   6.443  -6.839  -1.325
   51   2HG   PRO   9          1HG       PRO   9   6.017  -5.649  -2.538
   52   1HD   PRO   9          1HD       PRO   9   3.836  -5.752  -1.819
   53   2HD   PRO   9          2HD       PRO   9   4.286  -6.853  -0.533
   54    H    LYS  10           H        LYS  10   3.388  -3.101  -0.969
   55    HA   LYS  10           HA       LYS  10   4.637  -0.605  -1.889
   56   1HB   LYS  10          1HB       LYS  10   3.939  -2.139  -3.713
   57   2HB   LYS  10          2HB       LYS  10   2.293  -2.089  -3.113
   58   1HG   LYS  10          1HG       LYS  10   3.113   0.633  -3.312
   59   2HG   LYS  10          2HG       LYS  10   3.702  -0.141  -4.769
   60   1HD   LYS  10          1HD       LYS  10   0.934  -0.932  -4.032
   61   2HD   LYS  10          2HD       LYS  10   1.108   0.775  -4.386
   62   1HE   LYS  10          1HE       LYS  10   2.285   0.144  -6.553
   63   2HE   LYS  10          2HE       LYS  10   1.926  -1.537  -6.208
   64   1HZ   LYS  10          1HZ       LYS  10  -0.217   0.444  -6.217
   65   2HZ   LYS  10          2HZ       LYS  10   0.308  -0.208  -7.619
   66   3HZ   LYS  10          3HZ       LYS  10  -0.315  -1.169  -6.454
   67    H    TYR  11           H        TYR  11   2.874  -1.871   0.578
   68    HA   TYR  11           HA       TYR  11   0.648  -0.112   0.642
   69   1HB   TYR  11          1HB       TYR  11   0.808  -2.303   1.844
   70   2HB   TYR  11          2HB       TYR  11   2.246  -1.767   2.688
   71    HD1  TYR  11           HD1      TYR  11  -1.056  -0.067   2.148
   72    HD2  TYR  11           HD2      TYR  11   1.736  -1.684   4.958
   73    HE1  TYR  11           HE1      TYR  11  -2.491   0.776   4.070
   74    HE2  TYR  11           HE2      TYR  11   0.292  -0.835   6.870
   75    HH   TYR  11           HH       TYR  11  -1.606   0.062   7.428
   76    H    SER  12           H        SER  12   0.643   2.034   1.072
   77    HA   SER  12           HA       SER  12   2.563   2.985   3.011
   78   1HB   SER  12          1HB       SER  12   2.853   3.430   0.206
   79   2HB   SER  12          2HB       SER  12   2.309   4.951   0.885
   80    HG   SER  12           HG       SER  12   4.778   4.122   0.879
   81    H    CYS  13           H        CYS  13   0.470   2.930   4.257
   82    HA   CYS  13           HA       CYS  13  -0.873   5.466   3.929
   83   1HB   CYS  13          1HB       CYS  13  -2.307   4.110   2.596
   84   2HB   CYS  13          2HB       CYS  13  -2.315   2.820   3.782

  No H/Q in entry =          84
  Start of MODEL   25
    1    H1   ILE   1           H1       ILE   1   0.283   6.625  -3.409
    2    H2   ILE   1           H2       ILE   1   1.756   6.994  -2.751
    3    H3   ILE   1           H3       ILE   1   1.557   5.583  -3.594
    4    HA   ILE   1           HA       ILE   1   1.522   4.863  -1.468
    5    HB   ILE   1           HB       ILE   1  -0.010   6.150   0.189
    6   1HG1  ILE   1          1HG1      ILE   1   0.549   8.444  -1.710
    7   2HG1  ILE   1          2HG1      ILE   1  -0.958   7.505  -1.826
    8   1HG2  ILE   1          1HG2      ILE   1   2.707   6.354  -0.545
    9   2HG2  ILE   1          2HG2      ILE   1   2.144   8.033  -0.372
   10   3HG2  ILE   1          3HG2      ILE   1   1.969   6.891   0.983
   11   1HD1  ILE   1          1HD1      ILE   1  -0.866   7.957   0.865
   12   2HD1  ILE   1          2HD1      ILE   1  -0.065   9.428   0.264
   13   3HD1  ILE   1          3HD1      ILE   1  -1.708   9.022  -0.286
   14    H    CYS   2           H        CYS   2   0.009   3.362  -0.588
   15    HA   CYS   2           HA       CYS   2  -2.684   3.504  -1.640
   16   1HB   CYS   2          2HB       CYS   2  -1.560   2.286  -3.388
   17   2HB   CYS   2          1HB       CYS   2  -2.641   1.226  -2.507
   18    H    CYS   3           H        CYS   3  -4.036   3.022   0.062
   19    HA   CYS   3           HA       CYS   3  -2.823   1.813   2.398
   20   1HB   CYS   3          1HB       CYS   3  -4.235   3.938   2.434
   21   2HB   CYS   3          2HB       CYS   3  -5.625   2.908   2.157
   22    H    ASN   4           H        ASN   4  -2.721  -0.214   0.812
   23    HA   ASN   4           HA       ASN   4  -5.130  -1.730   1.381
   24   1HB   ASN   4          1HB       ASN   4  -3.873  -1.190  -1.283
   25   2HB   ASN   4          2HB       ASN   4  -4.281  -2.870  -0.996
   26   2HD2  ASN   4          1HD2      ASN   4  -6.344  -3.535  -1.017
   27   1HD2  ASN   4          2HD2      ASN   4  -7.720  -2.530  -1.324
   28    HA   PRO   5           HA       PRO   5  -2.057  -4.605   2.629
   29   1HB   PRO   5          1HB       PRO   5  -3.530  -6.901   2.790
   30   2HB   PRO   5          2HB       PRO   5  -3.520  -5.679   4.046
   31   1HG   PRO   5          2HG       PRO   5  -5.750  -5.366   3.545
   32   2HG   PRO   5          1HG       PRO   5  -5.617  -6.266   2.048
   33   1HD   PRO   5          1HD       PRO   5  -5.620  -4.277   0.895
   34   2HD   PRO   5          2HD       PRO   5  -5.635  -3.376   2.398
   35    H    ALA   6           H        ALA   6  -3.869  -5.177  -0.249
   36    HA   ALA   6           HA       ALA   6  -2.352  -7.354  -1.166
   37   1HB   ALA   6          1HB       ALA   6  -4.635  -6.086  -1.936
   38   2HB   ALA   6          2HB       ALA   6  -3.493  -5.447  -3.144
   39   3HB   ALA   6          3HB       ALA   6  -3.726  -7.203  -2.981
   40    H    CYS   7           H        CYS   7  -1.749  -3.893  -0.949
   41    HA   CYS   7           HA       CYS   7   0.142  -3.723  -3.009
   42   1HB   CYS   7          1HB       CYS   7  -0.157  -2.052  -0.505
   43   2HB   CYS   7          2HB       CYS   7   0.858  -1.647  -1.876
   44    H    GLY   8           H        GLY   8   0.152  -4.937   0.319
   45   1HA   GLY   8          1HA       GLY   8   1.765  -5.798   1.633
   46   2HA   GLY   8          2HA       GLY   8   2.420  -6.442   0.142
   47    HA   PRO   9           HA       PRO   9   5.850  -3.874   0.923
   48   1HB   PRO   9          1HB       PRO   9   7.284  -4.386  -1.347
   49   2HB   PRO   9          2HB       PRO   9   7.303  -5.436   0.055
   50   1HG   PRO   9          2HG       PRO   9   6.318  -7.017  -1.306
   51   2HG   PRO   9          1HG       PRO   9   5.933  -5.828  -2.536
   52   1HD   PRO   9          1HD       PRO   9   3.750  -5.846  -1.819
   53   2HD   PRO   9          2HD       PRO   9   4.159  -6.946  -0.517
   54    H    LYS  10           H        LYS  10   3.385  -3.158  -0.977
   55    HA   LYS  10           HA       LYS  10   4.722  -0.724  -1.938
   56   1HB   LYS  10          1HB       LYS  10   3.955  -2.274  -3.733
   57   2HB   LYS  10          2HB       LYS  10   2.314  -2.118  -3.142
   58   1HG   LYS  10          1HG       LYS  10   3.209   0.549  -3.375
   59   2HG   LYS  10          2HG       LYS  10   3.887  -0.249  -4.781
   60   1HD   LYS  10          1HD       LYS  10   1.078  -1.026  -4.268
   61   2HD   LYS  10          2HD       LYS  10   1.265   0.694  -4.544
   62   1HE   LYS  10          2HE       LYS  10   2.907  -0.457  -6.514
   63   2HE   LYS  10          1HE       LYS  10   1.317   0.235  -6.769
   64   1HZ   LYS  10          1HZ       LYS  10   0.630  -2.132  -5.902
   65   2HZ   LYS  10          2HZ       LYS  10   0.938  -1.844  -7.479
   66   3HZ   LYS  10          3HZ       LYS  10   2.079  -2.537  -6.539
   67    H    TYR  11           H        TYR  11   2.782  -1.976   0.468
   68    HA   TYR  11           HA       TYR  11   0.660  -0.134   0.537
   69   1HB   TYR  11          1HB       TYR  11   0.806  -2.310   1.787
   70   2HB   TYR  11          2HB       TYR  11   2.235  -1.752   2.634
   71    HD1  TYR  11           HD1      TYR  11  -1.320  -0.656   2.085
   72    HD2  TYR  11           HD2      TYR  11   1.955  -1.014   4.814
   73    HE1  TYR  11           HE1      TYR  11  -2.778   0.241   3.963
   74    HE2  TYR  11           HE2      TYR  11   0.486  -0.115   6.683
   75    HH   TYR  11           HH       TYR  11  -2.947   0.453   6.163
   76    H    SER  12           H        SER  12   0.617   1.998   1.043
   77    HA   SER  12           HA       SER  12   2.651   2.961   2.859
   78   1HB   SER  12          1HB       SER  12   2.702   3.454   0.036
   79   2HB   SER  12          2HB       SER  12   2.237   4.958   0.804
   80    HG   SER  12           HG       SER  12   4.279   5.215   1.357
   81    H    CYS  13           H        CYS  13   0.721   2.925   4.299
   82    HA   CYS  13           HA       CYS  13  -0.728   5.410   4.038
   83   1HB   CYS  13          1HB       CYS  13  -2.304   4.093   2.921
   84   2HB   CYS  13          2HB       CYS  13  -2.049   2.712   3.970

  No H/Q in entry =          84
  Start of MODEL   26
    1    H1   ILE   1           H1       ILE   1   0.892   6.416  -3.520
    2    H2   ILE   1           H2       ILE   1   2.268   6.896  -2.732
    3    H3   ILE   1           H3       ILE   1   2.255   5.477  -3.587
    4    HA   ILE   1           HA       ILE   1   2.134   4.893  -1.366
    5    HB   ILE   1           HB       ILE   1  -0.004   5.860  -0.151
    6   1HG1  ILE   1          1HG1      ILE   1   0.668   8.195  -1.965
    7   2HG1  ILE   1          2HG1      ILE   1  -0.627   7.046  -2.378
    8   1HG2  ILE   1          1HG2      ILE   1   2.739   6.434  -0.166
    9   2HG2  ILE   1          2HG2      ILE   1   1.961   8.030  -0.284
   10   3HG2  ILE   1          3HG2      ILE   1   1.562   6.944   1.069
   11   1HD1  ILE   1          1HD1      ILE   1  -0.461   8.452   0.313
   12   2HD1  ILE   1          2HD1      ILE   1  -1.363   9.115  -1.070
   13   3HD1  ILE   1          3HD1      ILE   1  -1.838   7.551  -0.366
   14    H    CYS   2           H        CYS   2   0.198   3.614  -0.265
   15    HA   CYS   2           HA       CYS   2  -1.903   2.916  -2.053
   16   1HB   CYS   2          1HB       CYS   2   0.115   1.682  -2.970
   17   2HB   CYS   2          2HB       CYS   2   0.123   0.749  -1.487
   18    H    CYS   3           H        CYS   3  -3.464   3.054  -0.458
   19    HA   CYS   3           HA       CYS   3  -2.815   2.073   2.184
   20   1HB   CYS   3          1HB       CYS   3  -3.994   4.272   1.730
   21   2HB   CYS   3          2HB       CYS   3  -5.398   3.335   1.258
   22    H    ASN   4           H        ASN   4  -2.612  -0.164   0.957
   23    HA   ASN   4           HA       ASN   4  -5.116  -1.492   1.415
   24   1HB   ASN   4          1HB       ASN   4  -4.259  -0.862  -1.244
   25   2HB   ASN   4          2HB       ASN   4  -3.929  -2.570  -1.036
   26   2HD2  ASN   4          1HD2      ASN   4  -5.510  -3.955  -1.316
   27   1HD2  ASN   4          2HD2      ASN   4  -7.207  -3.610  -1.350
   28    HA   PRO   5           HA       PRO   5  -2.192  -4.480   2.747
   29   1HB   PRO   5          1HB       PRO   5  -3.732  -6.734   2.873
   30   2HB   PRO   5          2HB       PRO   5  -3.733  -5.502   4.120
   31   1HG   PRO   5          1HG       PRO   5  -5.775  -6.050   2.053
   32   2HG   PRO   5          2HG       PRO   5  -5.934  -5.134   3.539
   33   1HD   PRO   5          1HD       PRO   5  -5.683  -4.071   0.887
   34   2HD   PRO   5          2HD       PRO   5  -5.726  -3.159   2.382
   35    H    ALA   6           H        ALA   6  -3.982  -5.137  -0.150
   36    HA   ALA   6           HA       ALA   6  -2.347  -7.286  -0.978
   37   1HB   ALA   6          1HB       ALA   6  -4.565  -5.645  -2.001
   38   2HB   ALA   6          2HB       ALA   6  -3.420  -6.144  -3.269
   39   3HB   ALA   6          3HB       ALA   6  -4.212  -7.371  -2.252
   40    H    CYS   7           H        CYS   7  -1.701  -3.973  -0.539
   41    HA   CYS   7           HA       CYS   7  -0.048  -3.585  -2.812
   42   1HB   CYS   7          2HB       CYS   7   0.637  -1.534  -1.727
   43   2HB   CYS   7          1HB       CYS   7  -0.055  -2.056  -0.204
   44    H    GLY   8           H        GLY   8   0.249  -4.949   0.453
   45   1HA   GLY   8          1HA       GLY   8   1.970  -5.866   1.577
   46   2HA   GLY   8          2HA       GLY   8   2.536  -6.391   0.003
   47    HA   PRO   9           HA       PRO   9   5.940  -3.773   0.745
   48   1HB   PRO   9          1HB       PRO   9   7.267  -4.147  -1.615
   49   2HB   PRO   9          2HB       PRO   9   7.387  -5.254  -0.263
   50   1HG   PRO   9          1HG       PRO   9   5.894  -5.575  -2.794
   51   2HG   PRO   9          2HG       PRO   9   6.375  -6.803  -1.639
   52   1HD   PRO   9          1HD       PRO   9   3.753  -5.688  -1.968
   53   2HD   PRO   9          2HD       PRO   9   4.260  -6.830  -0.740
   54    H    LYS  10           H        LYS  10   3.367  -3.065  -1.028
   55    HA   LYS  10           HA       LYS  10   4.581  -0.543  -1.925
   56   1HB   LYS  10          1HB       LYS  10   3.801  -2.027  -3.762
   57   2HB   LYS  10          2HB       LYS  10   2.181  -1.980  -3.097
   58   1HG   LYS  10          1HG       LYS  10   3.047   0.740  -3.260
   59   2HG   LYS  10          2HG       LYS  10   3.525  -0.010  -4.769
   60   1HD   LYS  10          1HD       LYS  10   0.724  -0.369  -3.629
   61   2HD   LYS  10          2HD       LYS  10   1.135   1.003  -4.639
   62   1HE   LYS  10          1HE       LYS  10   2.167  -1.088  -6.134
   63   2HE   LYS  10          2HE       LYS  10   0.781  -1.858  -5.387
   64   1HZ   LYS  10          1HZ       LYS  10   0.213   0.749  -6.376
   65   2HZ   LYS  10          2HZ       LYS  10   0.692  -0.282  -7.549
   66   3HZ   LYS  10          3HZ       LYS  10  -0.594  -0.650  -6.612
   67    H    TYR  11           H        TYR  11   2.811  -1.952   0.512
   68    HA   TYR  11           HA       TYR  11   0.608  -0.231   0.751
   69   1HB   TYR  11          1HB       TYR  11   0.980  -2.428   1.936
   70   2HB   TYR  11          2HB       TYR  11   2.391  -1.769   2.739
   71    HD1  TYR  11           HD1      TYR  11  -1.182  -0.674   2.289
   72    HD2  TYR  11           HD2      TYR  11   2.061  -1.370   4.992
   73    HE1  TYR  11           HE1      TYR  11  -2.634   0.074   4.236
   74    HE2  TYR  11           HE2      TYR  11   0.597  -0.618   6.930
   75    HH   TYR  11           HH       TYR  11  -1.906  -0.569   7.379
   76    H    SER  12           H        SER  12   0.619   1.938   1.042
   77    HA   SER  12           HA       SER  12   2.519   2.976   2.957
   78   1HB   SER  12          1HB       SER  12   2.896   3.290   0.174
   79   2HB   SER  12          2HB       SER  12   2.220   4.820   0.699
   80    HG   SER  12           HG       SER  12   4.240   5.252   1.281
   81    H    CYS  13           H        CYS  13   0.634   3.177   4.343
   82    HA   CYS  13           HA       CYS  13  -0.888   5.554   3.727
   83   1HB   CYS  13          1HB       CYS  13  -2.335   3.915   2.771
   84   2HB   CYS  13          2HB       CYS  13  -2.175   2.857   4.157

  No H/Q in entry =          84
  Start of MODEL   27
    1    H1   ILE   1           H1       ILE   1   0.268   6.357  -3.604
    2    H2   ILE   1           H2       ILE   1   1.584   7.025  -2.855
    3    H3   ILE   1           H3       ILE   1   1.712   5.547  -3.589
    4    HA   ILE   1           HA       ILE   1   1.514   4.817  -1.529
    5    HB   ILE   1           HB       ILE   1  -0.022   6.143   0.094
    6   1HG1  ILE   1          1HG1      ILE   1   0.553   8.419  -1.811
    7   2HG1  ILE   1          2HG1      ILE   1  -0.930   7.452  -1.995
    8   1HG2  ILE   1          1HG2      ILE   1   2.689   6.288  -0.589
    9   2HG2  ILE   1          2HG2      ILE   1   2.162   7.987  -0.562
   10   3HG2  ILE   1          3HG2      ILE   1   1.938   6.963   0.876
   11   1HD1  ILE   1          1HD1      ILE   1  -0.120   8.627   0.682
   12   2HD1  ILE   1          2HD1      ILE   1  -1.067   9.562  -0.501
   13   3HD1  ILE   1          3HD1      ILE   1  -1.721   8.046   0.164
   14    H    CYS   2           H        CYS   2   0.004   3.333  -0.618
   15    HA   CYS   2           HA       CYS   2  -2.692   3.449  -1.663
   16   1HB   CYS   2          1HB       CYS   2  -2.630   1.123  -2.452
   17   2HB   CYS   2          2HB       CYS   2  -1.627   2.202  -3.400
   18    H    CYS   3           H        CYS   3  -4.048   2.963   0.038
   19    HA   CYS   3           HA       CYS   3  -2.819   1.813   2.398
   20   1HB   CYS   3          1HB       CYS   3  -4.246   3.931   2.396
   21   2HB   CYS   3          2HB       CYS   3  -5.628   2.883   2.147
   22    H    ASN   4           H        ASN   4  -2.703  -0.245   0.859
   23    HA   ASN   4           HA       ASN   4  -5.093  -1.771   1.470
   24   1HB   ASN   4          1HB       ASN   4  -3.759  -1.416  -1.230
   25   2HB   ASN   4          2HB       ASN   4  -4.484  -2.968  -0.859
   26   2HD2  ASN   4          1HD2      ASN   4  -5.351  -1.302  -2.905
   27   1HD2  ASN   4          2HD2      ASN   4  -6.955  -0.739  -2.574
   28    HA   PRO   5           HA       PRO   5  -1.974  -4.609   2.685
   29   1HB   PRO   5          1HB       PRO   5  -3.418  -6.922   2.875
   30   2HB   PRO   5          2HB       PRO   5  -3.407  -5.695   4.125
   31   1HG   PRO   5          1HG       PRO   5  -5.522  -6.315   2.155
   32   2HG   PRO   5          2HG       PRO   5  -5.646  -5.410   3.650
   33   1HD   PRO   5          1HD       PRO   5  -5.563  -4.332   0.994
   34   2HD   PRO   5          2HD       PRO   5  -5.570  -3.425   2.493
   35    H    ALA   6           H        ALA   6  -3.807  -5.201  -0.173
   36    HA   ALA   6           HA       ALA   6  -2.288  -7.371  -1.100
   37   1HB   ALA   6          1HB       ALA   6  -4.588  -6.183  -1.850
   38   2HB   ALA   6          3HB       ALA   6  -3.628  -7.197  -2.955
   39   3HB   ALA   6          2HB       ALA   6  -3.488  -5.423  -3.025
   40    H    CYS   7           H        CYS   7  -1.695  -3.907  -0.888
   41    HA   CYS   7           HA       CYS   7   0.187  -3.741  -2.961
   42   1HB   CYS   7          1HB       CYS   7  -0.133  -2.051  -0.472
   43   2HB   CYS   7          2HB       CYS   7   0.898  -1.653  -1.832
   44    H    GLY   8           H        GLY   8   0.210  -4.929   0.375
   45   1HA   GLY   8          1HA       GLY   8   1.831  -5.770   1.694
   46   2HA   GLY   8          2HA       GLY   8   2.489  -6.420   0.206
   47    HA   PRO   9           HA       PRO   9   5.901  -3.822   0.962
   48   1HB   PRO   9          1HB       PRO   9   7.334  -4.336  -1.308
   49   2HB   PRO   9          2HB       PRO   9   7.363  -5.379   0.101
   50   1HG   PRO   9          2HG       PRO   9   6.386  -6.974  -1.250
   51   2HG   PRO   9          1HG       PRO   9   5.991  -5.794  -2.485
   52   1HD   PRO   9          1HD       PRO   9   3.809  -5.824  -1.762
   53   2HD   PRO   9          2HD       PRO   9   4.230  -6.914  -0.456
   54    H    LYS  10           H        LYS  10   3.426  -3.134  -0.935
   55    HA   LYS  10           HA       LYS  10   4.745  -0.697  -1.914
   56   1HB   LYS  10          1HB       LYS  10   3.991  -2.238  -3.708
   57   2HB   LYS  10          2HB       LYS  10   2.352  -2.139  -3.097
   58   1HG   LYS  10          1HG       LYS  10   3.232   0.559  -3.345
   59   2HG   LYS  10          2HG       LYS  10   3.796  -0.250  -4.793
   60   1HD   LYS  10          1HD       LYS  10   0.979  -0.846  -3.934
   61   2HD   LYS  10          2HD       LYS  10   1.284   0.764  -4.554
   62   1HE   LYS  10          1HE       LYS  10   1.610   0.019  -6.702
   63   2HE   LYS  10          2HE       LYS  10   2.532  -1.379  -6.187
   64   1HZ   LYS  10          1HZ       LYS  10  -0.382  -1.183  -5.881
   65   2HZ   LYS  10          2HZ       LYS  10   0.344  -1.879  -7.170
   66   3HZ   LYS  10          3HZ       LYS  10   0.544  -2.513  -5.678
   67    H    TYR  11           H        TYR  11   2.797  -1.961   0.492
   68    HA   TYR  11           HA       TYR  11   0.672  -0.130   0.568
   69   1HB   TYR  11          1HB       TYR  11   0.855  -2.293   1.839
   70   2HB   TYR  11          2HB       TYR  11   2.280  -1.706   2.673
   71    HD1  TYR  11           HD1      TYR  11  -1.176  -0.347   2.066
   72    HD2  TYR  11           HD2      TYR  11   1.885  -1.268   4.909
   73    HE1  TYR  11           HE1      TYR  11  -2.639   0.551   3.943
   74    HE2  TYR  11           HE2      TYR  11   0.414  -0.367   6.775
   75    HH   TYR  11           HH       TYR  11  -2.896   0.310   6.294
   76    H    SER  12           H        SER  12   0.624   2.011   1.028
   77    HA   SER  12           HA       SER  12   2.644   3.014   2.837
   78   1HB   SER  12          1HB       SER  12   2.708   3.459   0.006
   79   2HB   SER  12          2HB       SER  12   2.231   4.974   0.746
   80    HG   SER  12           HG       SER  12   4.689   4.110   0.530
   81    H    CYS  13           H        CYS  13   0.725   3.010   4.279
   82    HA   CYS  13           HA       CYS  13  -0.748   5.473   3.955
   83   1HB   CYS  13          1HB       CYS  13  -2.325   4.135   2.882
   84   2HB   CYS  13          2HB       CYS  13  -2.038   2.763   3.933

  No H/Q in entry =          84
  Start of MODEL   28
    1    H1   ILE   1           H1       ILE   1   0.609   6.471  -3.702
    2    H2   ILE   1           H2       ILE   1   2.096   6.867  -3.090
    3    H3   ILE   1           H3       ILE   1   1.869   5.404  -3.833
    4    HA   ILE   1           HA       ILE   1   1.843   4.808  -1.678
    5    HB   ILE   1           HB       ILE   1   0.330   6.283  -0.105
    6   1HG1  ILE   1          1HG1      ILE   1   1.211   8.480  -1.960
    7   2HG1  ILE   1          2HG1      ILE   1  -0.297   7.611  -2.331
    8   1HG2  ILE   1          1HG2      ILE   1   3.084   6.197  -0.778
    9   2HG2  ILE   1          2HG2      ILE   1   2.665   7.922  -0.637
   10   3HG2  ILE   1          3HG2      ILE   1   2.358   6.818   0.724
   11   1HD1  ILE   1          1HD1      ILE   1   0.270   8.711   0.440
   12   2HD1  ILE   1          2HD1      ILE   1  -0.478   9.711  -0.828
   13   3HD1  ILE   1          3HD1      ILE   1  -1.293   8.232  -0.265
   14    H    CYS   2           H        CYS   2   0.284   3.446  -0.640
   15    HA   CYS   2           HA       CYS   2  -2.388   3.569  -1.791
   16   1HB   CYS   2          2HB       CYS   2  -0.581   1.813  -2.811
   17   2HB   CYS   2          1HB       CYS   2  -2.321   1.611  -2.842
   18    H    CYS   3           H        CYS   3  -3.878   2.007  -0.468
   19    HA   CYS   3           HA       CYS   3  -2.855   1.698   2.248
   20   1HB   CYS   3          1HB       CYS   3  -4.239   3.844   1.880
   21   2HB   CYS   3          2HB       CYS   3  -5.621   2.774   1.742
   22    H    ASN   4           H        ASN   4  -2.752  -0.470   0.764
   23    HA   ASN   4           HA       ASN   4  -5.139  -1.919   1.525
   24   1HB   ASN   4          1HB       ASN   4  -4.386  -1.300  -1.206
   25   2HB   ASN   4          2HB       ASN   4  -4.168  -3.023  -0.969
   26   2HD2  ASN   4          1HD2      ASN   4  -5.847  -3.965  -1.865
   27   1HD2  ASN   4          2HD2      ASN   4  -7.518  -3.615  -1.570
   28    HA   PRO   5           HA       PRO   5  -2.033  -4.812   2.632
   29   1HB   PRO   5          1HB       PRO   5  -3.467  -7.132   2.804
   30   2HB   PRO   5          2HB       PRO   5  -3.450  -5.919   4.070
   31   1HG   PRO   5          1HG       PRO   5  -5.578  -6.523   2.109
   32   2HG   PRO   5          2HG       PRO   5  -5.694  -5.638   3.616
   33   1HD   PRO   5          1HD       PRO   5  -5.634  -4.526   0.973
   34   2HD   PRO   5          2HD       PRO   5  -5.633  -3.638   2.484
   35    H    ALA   6           H        ALA   6  -3.909  -5.419  -0.203
   36    HA   ALA   6           HA       ALA   6  -2.359  -7.550  -1.167
   37   1HB   ALA   6          1HB       ALA   6  -4.695  -6.350  -1.872
   38   2HB   ALA   6          3HB       ALA   6  -3.777  -7.426  -2.954
   39   3HB   ALA   6          2HB       ALA   6  -3.608  -5.661  -3.102
   40    H    CYS   7           H        CYS   7  -1.727  -4.151  -0.786
   41    HA   CYS   7           HA       CYS   7   0.076  -3.899  -2.954
   42   1HB   CYS   7          2HB       CYS   7   0.728  -1.799  -1.900
   43   2HB   CYS   7          1HB       CYS   7  -0.130  -2.235  -0.435
   44    H    GLY   8           H        GLY   8   0.185  -5.022   0.425
   45   1HA   GLY   8          1HA       GLY   8   1.825  -5.903   1.686
   46   2HA   GLY   8          2HA       GLY   8   2.493  -6.504   0.181
   47    HA   PRO   9           HA       PRO   9   5.835  -3.833   1.014
   48   1HB   PRO   9          1HB       PRO   9   7.328  -4.341  -1.218
   49   2HB   PRO   9          2HB       PRO   9   7.352  -5.365   0.204
   50   1HG   PRO   9          2HG       PRO   9   6.443  -6.999  -1.146
   51   2HG   PRO   9          1HG       PRO   9   6.046  -5.845  -2.404
   52   1HD   PRO   9          1HD       PRO   9   3.849  -5.919  -1.728
   53   2HD   PRO   9          2HD       PRO   9   4.268  -6.982  -0.399
   54    H    LYS  10           H        LYS  10   3.385  -3.229  -0.944
   55    HA   LYS  10           HA       LYS  10   4.673  -0.794  -1.966
   56   1HB   LYS  10          1HB       LYS  10   3.869  -2.429  -3.686
   57   2HB   LYS  10          2HB       LYS  10   2.238  -2.214  -3.082
   58   1HG   LYS  10          1HG       LYS  10   3.064   0.418  -3.418
   59   2HG   LYS  10          2HG       LYS  10   3.896  -0.384  -4.735
   60   1HD   LYS  10          2HD       LYS  10   1.302  -1.502  -4.779
   61   2HD   LYS  10          1HD       LYS  10   1.956  -0.330  -5.907
   62   1HE   LYS  10          1HE       LYS  10   0.012   0.062  -3.699
   63   2HE   LYS  10          2HE       LYS  10   1.278   1.273  -3.727
   64   1HZ   LYS  10          1HZ       LYS  10  -0.091   0.551  -6.199
   65   2HZ   LYS  10          2HZ       LYS  10  -0.784   1.604  -5.160
   66   3HZ   LYS  10          3HZ       LYS  10   0.672   1.945  -5.819
   67    H    TYR  11           H        TYR  11   2.762  -2.008   0.496
   68    HA   TYR  11           HA       TYR  11   0.644  -0.159   0.552
   69   1HB   TYR  11          1HB       TYR  11   0.837  -2.334   1.830
   70   2HB   TYR  11          2HB       TYR  11   2.230  -1.710   2.692
   71    HD1  TYR  11           HD1      TYR  11  -1.368  -0.834   2.068
   72    HD2  TYR  11           HD2      TYR  11   1.907  -0.835   4.821
   73    HE1  TYR  11           HE1      TYR  11  -2.893   0.065   3.894
   74    HE2  TYR  11           HE2      TYR  11   0.372   0.063   6.637
   75    HH   TYR  11           HH       TYR  11  -3.090   0.426   6.054
   76    H    SER  12           H        SER  12   0.677   1.999   0.910
   77    HA   SER  12           HA       SER  12   2.645   2.987   2.782
   78   1HB   SER  12          1HB       SER  12   2.864   3.342  -0.059
   79   2HB   SER  12          2HB       SER  12   2.420   4.896   0.618
   80    HG   SER  12           HG       SER  12   4.625   3.249   1.529
   81    H    CYS  13           H        CYS  13   0.606   3.054   4.084
   82    HA   CYS  13           HA       CYS  13  -0.717   5.584   3.651
   83   1HB   CYS  13          1HB       CYS  13  -2.264   4.302   2.458
   84   2HB   CYS  13          2HB       CYS  13  -2.143   2.940   3.555

  No H/Q in entry =          84
  Start of MODEL   29
    1    H1   ILE   1           H1       ILE   1   0.402   6.874  -3.336
    2    H2   ILE   1           H2       ILE   1   1.820   7.465  -2.719
    3    H3   ILE   1           H3       ILE   1   1.827   6.087  -3.637
    4    HA   ILE   1           HA       ILE   1   2.016   5.233  -1.581
    5    HB   ILE   1           HB       ILE   1   0.258   6.245   0.170
    6   1HG1  ILE   1          1HG1      ILE   1   0.962   8.717  -1.422
    7   2HG1  ILE   1          2HG1      ILE   1  -0.509   7.795  -1.812
    8   1HG2  ILE   1          1HG2      ILE   1   3.006   6.432  -0.324
    9   2HG2  ILE   1          2HG2      ILE   1   2.489   8.125  -0.140
   10   3HG2  ILE   1          3HG2      ILE   1   2.168   6.950   1.158
   11   1HD1  ILE   1          1HD1      ILE   1  -0.323   8.105   1.053
   12   2HD1  ILE   1          2HD1      ILE   1  -0.141   9.699   0.282
   13   3HD1  ILE   1          3HD1      ILE   1  -1.581   8.707  -0.053
   14    H    CYS   2           H        CYS   2   0.937   3.359  -0.990
   15    HA   CYS   2           HA       CYS   2  -1.629   3.012  -2.335
   16   1HB   CYS   2          1HB       CYS   2   0.344   1.487  -2.812
   17   2HB   CYS   2          2HB       CYS   2   0.145   0.854  -1.190
   18    H    CYS   3           H        CYS   3  -3.417   2.036  -1.126
   19    HA   CYS   3           HA       CYS   3  -3.029   2.079   1.770
   20   1HB   CYS   3          1HB       CYS   3  -4.158   4.177   0.795
   21   2HB   CYS   3          2HB       CYS   3  -5.535   3.141   0.482
   22    H    ASN   4           H        ASN   4  -2.743  -0.313   1.056
   23    HA   ASN   4           HA       ASN   4  -5.210  -1.604   1.527
   24   1HB   ASN   4          1HB       ASN   4  -4.435  -1.216  -1.220
   25   2HB   ASN   4          2HB       ASN   4  -4.163  -2.909  -0.859
   26   2HD2  ASN   4          1HD2      ASN   4  -5.813  -3.769  -1.974
   27   1HD2  ASN   4          2HD2      ASN   4  -7.493  -3.525  -1.627
   28    HA   PRO   5           HA       PRO   5  -2.251  -4.525   2.917
   29   1HB   PRO   5          1HB       PRO   5  -3.698  -6.841   3.027
   30   2HB   PRO   5          2HB       PRO   5  -3.786  -5.596   4.257
   31   1HG   PRO   5          1HG       PRO   5  -5.742  -6.253   2.139
   32   2HG   PRO   5          2HG       PRO   5  -5.984  -5.328   3.607
   33   1HD   PRO   5          1HD       PRO   5  -5.698  -4.287   0.950
   34   2HD   PRO   5          2HD       PRO   5  -5.824  -3.358   2.431
   35    H    ALA   6           H        ALA   6  -3.968  -5.384   0.012
   36    HA   ALA   6           HA       ALA   6  -2.211  -7.441  -0.747
   37   1HB   ALA   6          1HB       ALA   6  -4.445  -5.882  -1.877
   38   2HB   ALA   6          2HB       ALA   6  -3.249  -6.400  -3.091
   39   3HB   ALA   6          3HB       ALA   6  -4.050  -7.608  -2.057
   40    H    CYS   7           H        CYS   7  -1.808  -4.028  -0.482
   41    HA   CYS   7           HA       CYS   7  -0.120  -3.582  -2.664
   42   1HB   CYS   7          2HB       CYS   7   0.551  -1.561  -1.507
   43   2HB   CYS   7          1HB       CYS   7  -0.113  -2.153   0.002
   44    H    GLY   8           H        GLY   8   0.302  -4.936   0.615
   45   1HA   GLY   8          1HA       GLY   8   2.067  -5.850   1.668
   46   2HA   GLY   8          2HA       GLY   8   2.568  -6.390   0.079
   47    HA   PRO   9           HA       PRO   9   5.992  -3.756   0.657
   48   1HB   PRO   9          1HB       PRO   9   7.232  -4.166  -1.743
   49   2HB   PRO   9          2HB       PRO   9   7.405  -5.251  -0.378
   50   1HG   PRO   9          1HG       PRO   9   5.822  -5.618  -2.847
   51   2HG   PRO   9          2HG       PRO   9   6.348  -6.825  -1.691
   52   1HD   PRO   9          1HD       PRO   9   3.712  -5.722  -1.942
   53   2HD   PRO   9          2HD       PRO   9   4.267  -6.841  -0.712
   54    H    LYS  10           H        LYS  10   3.349  -3.071  -1.004
   55    HA   LYS  10           HA       LYS  10   4.526  -0.570  -2.004
   56   1HB   LYS  10          1HB       LYS  10   3.578  -2.220  -3.710
   57   2HB   LYS  10          2HB       LYS  10   1.998  -1.868  -3.039
   58   1HG   LYS  10          1HG       LYS  10   3.256   0.665  -3.438
   59   2HG   LYS  10          2HG       LYS  10   3.601  -0.272  -4.878
   60   1HD   LYS  10          1HD       LYS  10   0.785  -0.393  -3.835
   61   2HD   LYS  10          2HD       LYS  10   1.293   1.123  -4.553
   62   1HE   LYS  10          1HE       LYS  10   1.707   0.135  -6.676
   63   2HE   LYS  10          2HE       LYS  10   1.846  -1.479  -6.009
   64   1HZ   LYS  10          1HZ       LYS  10  -0.685  -0.130  -5.651
   65   2HZ   LYS  10          2HZ       LYS  10  -0.326  -0.637  -7.161
   66   3HZ   LYS  10          3HZ       LYS  10  -0.378  -1.710  -5.932
   67    H    TYR  11           H        TYR  11   2.754  -1.991   0.474
   68    HA   TYR  11           HA       TYR  11   0.605  -0.246   0.794
   69   1HB   TYR  11          1HB       TYR  11   1.100  -2.447   1.984
   70   2HB   TYR  11          2HB       TYR  11   2.459  -1.688   2.791
   71    HD1  TYR  11           HD1      TYR  11  -0.755   0.064   2.272
   72    HD2  TYR  11           HD2      TYR  11   1.666  -2.138   5.028
   73    HE1  TYR  11           HE1      TYR  11  -2.277   0.768   4.183
   74    HE2  TYR  11           HE2      TYR  11   0.135  -1.427   6.929
   75    HH   TYR  11           HH       TYR  11  -2.355  -0.731   7.069
   76    H    SER  12           H        SER  12   0.610   1.926   1.064
   77    HA   SER  12           HA       SER  12   2.588   3.000   2.878
   78   1HB   SER  12          1HB       SER  12   2.595   3.418  -0.009
   79   2HB   SER  12          2HB       SER  12   2.344   4.942   0.818
   80    HG   SER  12           HG       SER  12   4.558   4.723   0.722
   81    H    CYS  13           H        CYS  13   0.303   2.746   3.990
   82    HA   CYS  13           HA       CYS  13  -0.920   5.358   3.839
   83   1HB   CYS  13          1HB       CYS  13  -2.213   3.991   2.238
   84   2HB   CYS  13          2HB       CYS  13  -2.570   2.843   3.513

  No H/Q in entry =          84
  Start of MODEL   30
    1    H1   ILE   1           H1       ILE   1   0.148   6.769  -3.408
    2    H2   ILE   1           H2       ILE   1   1.592   7.365  -2.856
    3    H3   ILE   1           H3       ILE   1   1.559   5.973  -3.752
    4    HA   ILE   1           HA       ILE   1   1.831   5.159  -1.686
    5    HB   ILE   1           HB       ILE   1   0.126   6.191   0.104
    6   1HG1  ILE   1          1HG1      ILE   1   0.762   8.635  -1.558
    7   2HG1  ILE   1          2HG1      ILE   1  -0.722   7.702  -1.869
    8   1HG2  ILE   1          1HG2      ILE   1   2.869   6.451  -0.555
    9   2HG2  ILE   1          2HG2      ILE   1   2.291   8.102  -0.225
   10   3HG2  ILE   1          3HG2      ILE   1   2.095   6.828   1.003
   11   1HD1  ILE   1          1HD1      ILE   1  -0.060   8.443   0.972
   12   2HD1  ILE   1          2HD1      ILE   1  -0.705   9.704  -0.108
   13   3HD1  ILE   1          3HD1      ILE   1  -1.648   8.226   0.197
   14    H    CYS   2           H        CYS   2   0.783   3.290  -1.027
   15    HA   CYS   2           HA       CYS   2  -1.824   2.905  -2.278
   16   1HB   CYS   2          1HB       CYS   2   0.140   1.382  -2.797
   17   2HB   CYS   2          2HB       CYS   2   0.003   0.777  -1.158
   18    H    CYS   3           H        CYS   3  -3.560   1.922  -0.993
   19    HA   CYS   3           HA       CYS   3  -3.076   2.023   1.888
   20   1HB   CYS   3          1HB       CYS   3  -4.251   4.098   0.920
   21   2HB   CYS   3          2HB       CYS   3  -5.630   3.048   0.664
   22    H    ASN   4           H        ASN   4  -2.798  -0.378   1.197
   23    HA   ASN   4           HA       ASN   4  -5.235  -1.678   1.777
   24   1HB   ASN   4          1HB       ASN   4  -4.564  -1.327  -1.001
   25   2HB   ASN   4          2HB       ASN   4  -4.268  -3.013  -0.625
   26   2HD2  ASN   4          1HD2      ASN   4  -6.239  -2.212  -2.368
   27   1HD2  ASN   4          2HD2      ASN   4  -7.807  -2.560  -1.720
   28    HA   PRO   5           HA       PRO   5  -2.206  -4.559   3.101
   29   1HB   PRO   5          1HB       PRO   5  -3.631  -6.883   3.299
   30   2HB   PRO   5          2HB       PRO   5  -3.685  -5.620   4.511
   31   1HG   PRO   5          1HG       PRO   5  -5.710  -6.322   2.476
   32   2HG   PRO   5          2HG       PRO   5  -5.906  -5.376   3.938
   33   1HD   PRO   5          1HD       PRO   5  -5.725  -4.373   1.258
   34   2HD   PRO   5          2HD       PRO   5  -5.803  -3.424   2.729
   35    H    ALA   6           H        ALA   6  -4.022  -5.473   0.275
   36    HA   ALA   6           HA       ALA   6  -2.277  -7.528  -0.519
   37   1HB   ALA   6          1HB       ALA   6  -4.629  -7.154  -1.312
   38   2HB   ALA   6          3HB       ALA   6  -3.459  -7.374  -2.635
   39   3HB   ALA   6          2HB       ALA   6  -4.051  -5.744  -2.232
   40    H    CYS   7           H        CYS   7  -1.881  -4.116  -0.303
   41    HA   CYS   7           HA       CYS   7  -0.287  -3.684  -2.560
   42   1HB   CYS   7          2HB       CYS   7   0.412  -1.642  -1.456
   43   2HB   CYS   7          1HB       CYS   7  -0.191  -2.219   0.084
   44    H    GLY   8           H        GLY   8   0.271  -4.985   0.721
   45   1HA   GLY   8          1HA       GLY   8   2.081  -5.877   1.717
   46   2HA   GLY   8          2HA       GLY   8   2.531  -6.428   0.114
   47    HA   PRO   9           HA       PRO   9   5.947  -3.755   0.545
   48   1HB   PRO   9          1HB       PRO   9   7.108  -4.183  -1.891
   49   2HB   PRO   9          2HB       PRO   9   7.339  -5.249  -0.520
   50   1HG   PRO   9          1HG       PRO   9   5.675  -5.661  -2.929
   51   2HG   PRO   9          2HG       PRO   9   6.252  -6.849  -1.777
   52   1HD   PRO   9          1HD       PRO   9   3.599  -5.774  -1.949
   53   2HD   PRO   9          2HD       PRO   9   4.207  -6.873  -0.728
   54    H    LYS  10           H        LYS  10   3.242  -3.116  -1.032
   55    HA   LYS  10           HA       LYS  10   4.358  -0.618  -2.104
   56   1HB   LYS  10          1HB       LYS  10   3.367  -2.288  -3.757
   57   2HB   LYS  10          2HB       LYS  10   1.809  -1.961  -3.026
   58   1HG   LYS  10          1HG       LYS  10   2.350   0.562  -3.436
   59   2HG   LYS  10          2HG       LYS  10   3.630  -0.009  -4.487
   60   1HD   LYS  10          1HD       LYS  10   1.176  -1.455  -5.089
   61   2HD   LYS  10          2HD       LYS  10   0.850   0.267  -5.106
   62   1HE   LYS  10          1HE       LYS  10   3.382  -0.559  -6.467
   63   2HE   LYS  10          2HE       LYS  10   1.908  -1.118  -7.233
   64   1HZ   LYS  10          1HZ       LYS  10   1.556   1.534  -6.497
   65   2HZ   LYS  10          2HZ       LYS  10   2.984   1.428  -7.284
   66   3HZ   LYS  10          3HZ       LYS  10   1.613   0.904  -8.002
   67    H    TYR  11           H        TYR  11   2.687  -2.023   0.453
   68    HA   TYR  11           HA       TYR  11   0.538  -0.291   0.834
   69   1HB   TYR  11          1HB       TYR  11   1.106  -2.470   2.036
   70   2HB   TYR  11          2HB       TYR  11   2.483  -1.683   2.782
   71    HD1  TYR  11           HD1      TYR  11   1.864   0.545   4.142
   72    HD2  TYR  11           HD2      TYR  11  -0.859  -2.635   3.261
   73    HE1  TYR  11           HE1      TYR  11   0.392   1.257   6.091
   74    HE2  TYR  11           HE2      TYR  11  -2.321  -1.914   5.212
   75    HH   TYR  11           HH       TYR  11  -2.564  -0.558   6.871
   76    H    SER  12           H        SER  12   0.538   1.886   1.061
   77    HA   SER  12           HA       SER  12   2.566   3.005   2.790
   78   1HB   SER  12          1HB       SER  12   2.473   3.373  -0.103
   79   2HB   SER  12          2HB       SER  12   2.238   4.910   0.706
   80    HG   SER  12           HG       SER  12   4.323   3.211   1.665
   81    H    CYS  13           H        CYS  13   0.325   2.757   3.983
   82    HA   CYS  13           HA       CYS  13  -0.927   5.356   3.823
   83   1HB   CYS  13          1HB       CYS  13  -2.267   3.960   2.298
   84   2HB   CYS  13          2HB       CYS  13  -2.555   2.816   3.594

  No H/Q in entry =          84
  Start of MODEL   31
    1    H1   ILE   1           H1       ILE   1   0.233   6.755  -3.458
    2    H2   ILE   1           H2       ILE   1   1.678   7.346  -2.904
    3    H3   ILE   1           H3       ILE   1   1.640   5.950  -3.794
    4    HA   ILE   1           HA       ILE   1   1.903   5.148  -1.722
    5    HB   ILE   1           HB       ILE   1   0.188   6.189   0.054
    6   1HG1  ILE   1          1HG1      ILE   1   0.834   8.623  -1.620
    7   2HG1  ILE   1          2HG1      ILE   1  -0.651   7.690  -1.928
    8   1HG2  ILE   1          1HG2      ILE   1   2.908   6.331  -0.461
    9   2HG2  ILE   1          2HG2      ILE   1   2.434   8.046  -0.417
   10   3HG2  ILE   1          3HG2      ILE   1   2.100   6.995   0.979
   11   1HD1  ILE   1          1HD1      ILE   1  -0.982   7.876   0.676
   12   2HD1  ILE   1          2HD1      ILE   1   0.156   9.238   0.539
   13   3HD1  ILE   1          3HD1      ILE   1  -1.383   9.269  -0.357
   14    H    CYS   2           H        CYS   2   0.850   3.282  -1.059
   15    HA   CYS   2           HA       CYS   2  -1.749   2.892  -2.326
   16   1HB   CYS   2          1HB       CYS   2   0.218   1.366  -2.821
   17   2HB   CYS   2          2HB       CYS   2   0.066   0.769  -1.181
   18    H    CYS   3           H        CYS   3  -3.490   1.902  -1.045
   19    HA   CYS   3           HA       CYS   3  -3.027   2.023   1.837
   20   1HB   CYS   3          1HB       CYS   3  -4.193   4.095   0.855
   21   2HB   CYS   3          2HB       CYS   3  -5.572   3.046   0.592
   22    H    ASN   4           H        ASN   4  -2.745  -0.382   1.151
   23    HA   ASN   4           HA       ASN   4  -5.184  -1.680   1.730
   24   1HB   ASN   4          1HB       ASN   4  -4.456  -1.361  -1.060
   25   2HB   ASN   4          2HB       ASN   4  -4.266  -3.053  -0.647
   26   2HD2  ASN   4          1HD2      ASN   4  -6.219  -1.710  -2.352
   27   1HD2  ASN   4          2HD2      ASN   4  -7.793  -2.114  -1.752
   28    HA   PRO   5           HA       PRO   5  -2.153  -4.556   3.060
   29   1HB   PRO   5          1HB       PRO   5  -3.585  -6.872   3.284
   30   2HB   PRO   5          2HB       PRO   5  -3.627  -5.600   4.489
   31   1HG   PRO   5          2HG       PRO   5  -5.850  -5.352   3.927
   32   2HG   PRO   5          1HG       PRO   5  -5.667  -6.310   2.471
   33   1HD   PRO   5          1HD       PRO   5  -5.682  -4.369   1.238
   34   2HD   PRO   5          2HD       PRO   5  -5.749  -3.409   2.703
   35    H    ALA   6           H        ALA   6  -3.975  -5.448   0.237
   36    HA   ALA   6           HA       ALA   6  -2.255  -7.531  -0.549
   37   1HB   ALA   6          1HB       ALA   6  -4.495  -5.939  -1.668
   38   2HB   ALA   6          2HB       ALA   6  -3.369  -6.608  -2.874
   39   3HB   ALA   6          3HB       ALA   6  -4.194  -7.692  -1.728
   40    H    CYS   7           H        CYS   7  -1.783  -4.148  -0.292
   41    HA   CYS   7           HA       CYS   7  -0.180  -3.753  -2.572
   42   1HB   CYS   7          1HB       CYS   7  -0.131  -2.226   0.037
   43   2HB   CYS   7          2HB       CYS   7   0.504  -1.687  -1.505
   44    H    GLY   8           H        GLY   8   0.309  -5.000   0.737
   45   1HA   GLY   8          1HA       GLY   8   2.097  -5.870   1.788
   46   2HA   GLY   8          2HA       GLY   8   2.579  -6.449   0.206
   47    HA   PRO   9           HA       PRO   9   5.988  -3.772   0.657
   48   1HB   PRO   9          1HB       PRO   9   7.195  -4.239  -1.750
   49   2HB   PRO   9          2HB       PRO   9   7.399  -5.284  -0.359
   50   1HG   PRO   9          2HG       PRO   9   6.334  -6.902  -1.611
   51   2HG   PRO   9          1HG       PRO   9   5.780  -5.732  -2.791
   52   1HD   PRO   9          1HD       PRO   9   3.685  -5.828  -1.850
   53   2HD   PRO   9          2HD       PRO   9   4.269  -6.908  -0.600
   54    H    LYS  10           H        LYS  10   3.314  -3.157  -0.983
   55    HA   LYS  10           HA       LYS  10   4.454  -0.675  -2.070
   56   1HB   LYS  10          1HB       LYS  10   3.510  -2.349  -3.730
   57   2HB   LYS  10          2HB       LYS  10   1.935  -2.057  -3.023
   58   1HG   LYS  10          1HG       LYS  10   2.881   0.533  -3.431
   59   2HG   LYS  10          2HG       LYS  10   3.551  -0.323  -4.805
   60   1HD   LYS  10          1HD       LYS  10   1.220  -1.264  -5.255
   61   2HD   LYS  10          2HD       LYS  10   0.610  -0.214  -3.992
   62   1HE   LYS  10          1HE       LYS  10   0.314   1.274  -5.716
   63   2HE   LYS  10          2HE       LYS  10   2.011   1.622  -5.456
   64   1HZ   LYS  10          1HZ       LYS  10   2.132  -0.496  -7.056
   65   2HZ   LYS  10          2HZ       LYS  10   0.767   0.210  -7.608
   66   3HZ   LYS  10          3HZ       LYS  10   2.167   1.049  -7.584
   67    H    TYR  11           H        TYR  11   2.758  -2.027   0.489
   68    HA   TYR  11           HA       TYR  11   0.595  -0.286   0.794
   69   1HB   TYR  11          1HB       TYR  11   1.108  -2.452   2.031
   70   2HB   TYR  11          2HB       TYR  11   2.487  -1.681   2.789
   71    HD1  TYR  11           HD1      TYR  11  -1.124  -0.737   2.317
   72    HD2  TYR  11           HD2      TYR  11   2.137  -1.262   5.036
   73    HE1  TYR  11           HE1      TYR  11  -2.598   0.023   4.244
   74    HE2  TYR  11           HE2      TYR  11   0.652  -0.500   6.954
   75    HH   TYR  11           HH       TYR  11  -2.776  -0.011   6.493
   76    H    SER  12           H        SER  12   0.590   1.889   1.028
   77    HA   SER  12           HA       SER  12   2.605   3.012   2.768
   78   1HB   SER  12          1HB       SER  12   2.536   3.370  -0.127
   79   2HB   SER  12          2HB       SER  12   2.292   4.910   0.674
   80    HG   SER  12           HG       SER  12   4.585   4.244   0.253
   81    H    CYS  13           H        CYS  13   0.357   2.772   3.949
   82    HA   CYS  13           HA       CYS  13  -0.891   5.370   3.771
   83   1HB   CYS  13          1HB       CYS  13  -2.225   3.974   2.241
   84   2HB   CYS  13          2HB       CYS  13  -2.518   2.830   3.535

  No H/Q in entry =          84
  Start of MODEL   32
    1    H1   ILE   1           H1       ILE   1  -0.113   7.005  -3.197
    2    H2   ILE   1           H2       ILE   1   1.422   7.454  -2.771
    3    H3   ILE   1           H3       ILE   1   1.182   6.109  -3.706
    4    HA   ILE   1           HA       ILE   1   1.637   5.283  -1.635
    5    HB   ILE   1           HB       ILE   1  -0.053   6.234   0.222
    6   1HG1  ILE   1          1HG1      ILE   1   0.501   8.681  -1.490
    7   2HG1  ILE   1          2HG1      ILE   1  -1.031   7.779  -1.593
    8   1HG2  ILE   1          1HG2      ILE   1   2.654   6.428  -0.359
    9   2HG2  ILE   1          2HG2      ILE   1   2.159   8.134  -0.231
   10   3HG2  ILE   1          3HG2      ILE   1   1.875   7.020   1.128
   11   1HD1  ILE   1          1HD1      ILE   1   0.036   8.661   1.096
   12   2HD1  ILE   1          2HD1      ILE   1  -0.849   9.812   0.064
   13   3HD1  ILE   1          3HD1      ILE   1  -1.642   8.314   0.611
   14    H    CYS   2           H        CYS   2   0.643   3.376  -0.997
   15    HA   CYS   2           HA       CYS   2  -1.985   2.969  -2.194
   16   1HB   CYS   2          1HB       CYS   2  -0.001   1.501  -2.796
   17   2HB   CYS   2          2HB       CYS   2  -0.093   0.850  -1.172
   18    H    CYS   3           H        CYS   3  -3.641   1.832  -0.890
   19    HA   CYS   3           HA       CYS   3  -3.098   1.898   1.978
   20   1HB   CYS   3          1HB       CYS   3  -4.333   3.977   1.124
   21   2HB   CYS   3          2HB       CYS   3  -5.695   2.914   0.831
   22    H    ASN   4           H        ASN   4  -2.782  -0.472   1.076
   23    HA   ASN   4           HA       ASN   4  -5.149  -1.862   1.756
   24   1HB   ASN   4          2HB       ASN   4  -5.347  -3.161  -0.358
   25   2HB   ASN   4          1HB       ASN   4  -4.016  -2.264  -1.063
   26   2HD2  ASN   4          1HD2      ASN   4  -4.250  -0.016  -1.469
   27   1HD2  ASN   4          2HD2      ASN   4  -5.804   0.694  -1.754
   28    HA   PRO   5           HA       PRO   5  -1.948  -4.686   2.760
   29   1HB   PRO   5          1HB       PRO   5  -3.332  -7.020   3.090
   30   2HB   PRO   5          2HB       PRO   5  -3.262  -5.767   4.312
   31   1HG   PRO   5          1HG       PRO   5  -5.489  -6.467   2.498
   32   2HG   PRO   5          2HG       PRO   5  -5.533  -5.533   3.981
   33   1HD   PRO   5          1HD       PRO   5  -5.644  -4.509   1.303
   34   2HD   PRO   5          2HD       PRO   5  -5.571  -3.571   2.782
   35    H    ALA   6           H        ALA   6  -3.936  -5.340   0.029
   36    HA   ALA   6           HA       ALA   6  -2.411  -7.502  -0.946
   37   1HB   ALA   6          2HB       ALA   6  -4.021  -5.544  -2.609
   38   2HB   ALA   6          1HB       ALA   6  -4.801  -6.742  -1.549
   39   3HB   ALA   6          3HB       ALA   6  -3.757  -7.282  -2.886
   40    H    CYS   7           H        CYS   7  -1.657  -4.209  -0.492
   41    HA   CYS   7           HA       CYS   7  -0.051  -3.933  -2.847
   42   1HB   CYS   7          2HB       CYS   7   0.616  -1.794  -1.887
   43   2HB   CYS   7          1HB       CYS   7  -0.160  -2.201  -0.369
   44    H    GLY   8           H        GLY   8   0.216  -5.084   0.488
   45   1HA   GLY   8          1HA       GLY   8   1.941  -5.860   1.713
   46   2HA   GLY   8          2HA       GLY   8   2.533  -6.496   0.190
   47    HA   PRO   9           HA       PRO   9   5.890  -3.776   0.734
   48   1HB   PRO   9          1HB       PRO   9   7.205  -4.256  -1.613
   49   2HB   PRO   9          2HB       PRO   9   7.353  -5.286  -0.203
   50   1HG   PRO   9          2HG       PRO   9   6.357  -6.924  -1.485
   51   2HG   PRO   9          1HG       PRO   9   5.849  -5.769  -2.702
   52   1HD   PRO   9          1HD       PRO   9   3.715  -5.870  -1.853
   53   2HD   PRO   9          2HD       PRO   9   4.249  -6.935  -0.568
   54    H    LYS  10           H        LYS  10   3.290  -3.199  -1.039
   55    HA   LYS  10           HA       LYS  10   4.457  -0.713  -2.086
   56   1HB   LYS  10          1HB       LYS  10   3.679  -2.322  -3.827
   57   2HB   LYS  10          2HB       LYS  10   2.062  -2.230  -3.159
   58   1HG   LYS  10          1HG       LYS  10   2.825   0.470  -3.462
   59   2HG   LYS  10          2HG       LYS  10   3.474  -0.314  -4.888
   60   1HD   LYS  10          1HD       LYS  10   0.846  -1.389  -4.497
   61   2HD   LYS  10          2HD       LYS  10   0.711   0.344  -4.274
   62   1HE   LYS  10          2HE       LYS  10   2.021   0.625  -6.467
   63   2HE   LYS  10          1HE       LYS  10   0.399  -0.019  -6.625
   64   1HZ   LYS  10          1HZ       LYS  10   1.687  -2.254  -6.365
   65   2HZ   LYS  10          2HZ       LYS  10   1.558  -1.520  -7.817
   66   3HZ   LYS  10          3HZ       LYS  10   2.934  -1.375  -6.949
   67    H    TYR  11           H        TYR  11   2.803  -1.970   0.476
   68    HA   TYR  11           HA       TYR  11   0.557  -0.263   0.624
   69   1HB   TYR  11          1HB       TYR  11   0.902  -2.408   1.895
   70   2HB   TYR  11          2HB       TYR  11   2.337  -1.747   2.656
   71    HD1  TYR  11           HD1      TYR  11   1.920   0.512   4.027
   72    HD2  TYR  11           HD2      TYR  11  -1.096  -2.373   3.084
   73    HE1  TYR  11           HE1      TYR  11   0.499   1.355   5.960
   74    HE2  TYR  11           HE2      TYR  11  -2.506  -1.520   5.020
   75    HH   TYR  11           HH       TYR  11  -1.478   1.294   6.895
   76    H    SER  12           H        SER  12   0.474   1.890   1.007
   77    HA   SER  12           HA       SER  12   2.500   2.990   2.751
   78   1HB   SER  12          1HB       SER  12   2.361   3.454  -0.125
   79   2HB   SER  12          2HB       SER  12   2.097   4.957   0.735
   80    HG   SER  12           HG       SER  12   4.099   4.064   2.058
   81    H    CYS  13           H        CYS  13   0.324   2.690   4.006
   82    HA   CYS  13           HA       CYS  13  -1.012   5.249   3.914
   83   1HB   CYS  13          1HB       CYS  13  -2.376   3.869   2.423
   84   2HB   CYS  13          2HB       CYS  13  -2.544   2.652   3.672

  No H/Q in entry =          84
  Start of MODEL   33
    1    H1   ILE   1           H1       ILE   1   0.527   6.396  -3.622
    2    H2   ILE   1           H2       ILE   1   1.686   7.339  -2.908
    3    H3   ILE   1           H3       ILE   1   2.103   5.893  -3.600
    4    HA   ILE   1           HA       ILE   1   2.022   5.101  -1.580
    5    HB   ILE   1           HB       ILE   1   0.559   6.270   0.172
    6   1HG1  ILE   1          1HG1      ILE   1   0.551   8.688  -1.563
    7   2HG1  ILE   1          2HG1      ILE   1  -0.629   7.428  -1.998
    8   1HG2  ILE   1          1HG2      ILE   1   2.830   7.640  -1.309
    9   2HG2  ILE   1          2HG2      ILE   1   2.143   8.304   0.192
   10   3HG2  ILE   1          3HG2      ILE   1   2.907   6.696   0.198
   11   1HD1  ILE   1          1HD1      ILE   1  -0.276   8.569   0.806
   12   2HD1  ILE   1          2HD1      ILE   1  -1.524   9.099  -0.348
   13   3HD1  ILE   1          3HD1      ILE   1  -1.533   7.429   0.269
   14    H    CYS   2           H        CYS   2   0.914   3.277  -0.980
   15    HA   CYS   2           HA       CYS   2  -1.726   3.001  -2.192
   16   1HB   CYS   2          1HB       CYS   2   0.167   1.397  -2.744
   17   2HB   CYS   2          2HB       CYS   2   0.021   0.792  -1.106
   18    H    CYS   3           H        CYS   3  -3.258   1.526  -0.797
   19    HA   CYS   3           HA       CYS   3  -2.780   1.762   2.036
   20   1HB   CYS   3          1HB       CYS   3  -3.874   3.929   1.200
   21   2HB   CYS   3          2HB       CYS   3  -5.312   2.964   0.931
   22    H    ASN   4           H        ASN   4  -2.644  -0.622   1.237
   23    HA   ASN   4           HA       ASN   4  -5.119  -1.825   1.863
   24   1HB   ASN   4          1HB       ASN   4  -4.583  -1.369  -0.915
   25   2HB   ASN   4          2HB       ASN   4  -4.283  -3.074  -0.649
   26   2HD2  ASN   4          1HD2      ASN   4  -6.021  -3.923  -1.615
   27   1HD2  ASN   4          2HD2      ASN   4  -7.665  -3.686  -1.125
   28    HA   PRO   5           HA       PRO   5  -2.226  -4.955   2.898
   29   1HB   PRO   5          1HB       PRO   5  -3.715  -7.245   2.857
   30   2HB   PRO   5          2HB       PRO   5  -3.753  -6.102   4.184
   31   1HG   PRO   5          1HG       PRO   5  -5.766  -6.551   2.068
   32   2HG   PRO   5          2HG       PRO   5  -5.958  -5.743   3.611
   33   1HD   PRO   5          1HD       PRO   5  -5.712  -4.496   1.040
   34   2HD   PRO   5          2HD       PRO   5  -5.786  -3.689   2.593
   35    H    ALA   6           H        ALA   6  -4.037  -5.574  -0.016
   36    HA   ALA   6           HA       ALA   6  -2.319  -7.578  -0.978
   37   1HB   ALA   6          1HB       ALA   6  -4.712  -6.912  -1.701
   38   2HB   ALA   6          3HB       ALA   6  -3.562  -7.370  -2.981
   39   3HB   ALA   6          2HB       ALA   6  -3.924  -5.652  -2.681
   40    H    CYS   7           H        CYS   7  -1.868  -4.207  -0.456
   41    HA   CYS   7           HA       CYS   7  -0.169  -3.711  -2.666
   42   1HB   CYS   7          1HB       CYS   7  -0.330  -2.223  -0.038
   43   2HB   CYS   7          2HB       CYS   7   0.389  -1.644  -1.527
   44    H    GLY   8           H        GLY   8   0.142  -4.976   0.662
   45   1HA   GLY   8          1HA       GLY   8   1.898  -5.759   1.836
   46   2HA   GLY   8          2HA       GLY   8   2.439  -6.401   0.298
   47    HA   PRO   9           HA       PRO   9   5.831  -3.706   0.745
   48   1HB   PRO   9          1HB       PRO   9   7.088  -4.222  -1.626
   49   2HB   PRO   9          2HB       PRO   9   7.261  -5.238  -0.209
   50   1HG   PRO   9          1HG       PRO   9   5.696  -5.734  -2.667
   51   2HG   PRO   9          2HG       PRO   9   6.224  -6.881  -1.451
   52   1HD   PRO   9          1HD       PRO   9   3.582  -5.811  -1.769
   53   2HD   PRO   9          2HD       PRO   9   4.137  -6.866  -0.485
   54    H    LYS  10           H        LYS  10   3.191  -3.113  -0.944
   55    HA   LYS  10           HA       LYS  10   4.359  -0.674  -2.094
   56   1HB   LYS  10          1HB       LYS  10   3.375  -2.382  -3.696
   57   2HB   LYS  10          2HB       LYS  10   1.809  -2.041  -2.987
   58   1HG   LYS  10          1HG       LYS  10   2.632   0.517  -3.460
   59   2HG   LYS  10          2HG       LYS  10   3.531  -0.300  -4.723
   60   1HD   LYS  10          1HD       LYS  10   1.000  -1.479  -4.913
   61   2HD   LYS  10          2HD       LYS  10   0.621   0.182  -4.503
   62   1HE   LYS  10          1HE       LYS  10   2.660  -0.395  -6.673
   63   2HE   LYS  10          2HE       LYS  10   0.951  -0.505  -7.041
   64   1HZ   LYS  10          1HZ       LYS  10   2.269   1.853  -5.884
   65   2HZ   LYS  10          2HZ       LYS  10   1.822   1.692  -7.446
   66   3HZ   LYS  10          3HZ       LYS  10   0.687   1.747  -6.273
   67    H    TYR  11           H        TYR  11   2.618  -1.942   0.495
   68    HA   TYR  11           HA       TYR  11   0.542  -0.059   0.740
   69   1HB   TYR  11          1HB       TYR  11   0.852  -2.306   1.925
   70   2HB   TYR  11          2HB       TYR  11   2.226  -1.639   2.784
   71    HD1  TYR  11           HD1      TYR  11  -0.740   0.445   2.185
   72    HD2  TYR  11           HD2      TYR  11   1.218  -2.162   4.955
   73    HE1  TYR  11           HE1      TYR  11  -2.284   1.244   4.042
   74    HE2  TYR  11           HE2      TYR  11  -0.332  -1.356   6.801
   75    HH   TYR  11           HH       TYR  11  -1.761   0.261   7.369
   76    H    SER  12           H        SER  12   0.701   2.100   1.055
   77    HA   SER  12           HA       SER  12   2.744   2.998   2.892
   78   1HB   SER  12          1HB       SER  12   2.836   3.420   0.023
   79   2HB   SER  12          2HB       SER  12   2.614   4.966   0.819
   80    HG   SER  12           HG       SER  12   4.907   3.969   0.490
   81    H    CYS  13           H        CYS  13   0.411   2.877   3.961
   82    HA   CYS  13           HA       CYS  13  -0.593   5.584   3.881
   83   1HB   CYS  13          1HB       CYS  13  -2.084   4.735   2.296
   84   2HB   CYS  13          2HB       CYS  13  -2.238   3.191   3.111

  No H/Q in entry =          84
  Start of MODEL   34
    1    H1   ILE   1           H1       ILE   1  -0.024   6.835  -3.117
    2    H2   ILE   1           H2       ILE   1   1.214   7.553  -2.283
    3    H3   ILE   1           H3       ILE   1   1.528   6.294  -3.312
    4    HA   ILE   1           HA       ILE   1   1.634   5.299  -1.300
    5    HB   ILE   1           HB       ILE   1  -0.444   5.778   0.277
    6   1HG1  ILE   1          1HG1      ILE   1  -0.215   8.479  -1.053
    7   2HG1  ILE   1          2HG1      ILE   1  -1.356   7.274  -1.695
    8   1HG2  ILE   1          1HG2      ILE   1   2.204   6.915  -0.080
    9   2HG2  ILE   1          2HG2      ILE   1   1.102   8.133   0.604
   10   3HG2  ILE   1          3HG2      ILE   1   1.325   6.572   1.429
   11   1HD1  ILE   1          1HD1      ILE   1  -2.336   7.039   0.596
   12   2HD1  ILE   1          2HD1      ILE   1  -1.250   8.331   1.162
   13   3HD1  ILE   1          3HD1      ILE   1  -2.499   8.688  -0.053
   14    H    CYS   2           H        CYS   2   0.061   3.590  -0.251
   15    HA   CYS   2           HA       CYS   2  -2.072   2.879  -2.069
   16   1HB   CYS   2          1HB       CYS   2   0.075   1.862  -2.949
   17   2HB   CYS   2          2HB       CYS   2   0.127   0.890  -1.492
   18    H    CYS   3           H        CYS   3  -3.551   3.144  -0.344
   19    HA   CYS   3           HA       CYS   3  -2.942   1.972   2.202
   20   1HB   CYS   3          1HB       CYS   3  -4.857   3.886   1.134
   21   2HB   CYS   3          2HB       CYS   3  -5.626   2.726   2.199
   22    H    ASN   4           H        ASN   4  -2.661  -0.209   0.918
   23    HA   ASN   4           HA       ASN   4  -5.120  -1.630   1.290
   24   1HB   ASN   4          1HB       ASN   4  -3.850  -1.163  -1.398
   25   2HB   ASN   4          2HB       ASN   4  -4.393  -2.799  -1.082
   26   2HD2  ASN   4          1HD2      ASN   4  -6.593  -2.534   0.416
   27   1HD2  ASN   4          2HD2      ASN   4  -7.854  -1.688  -0.418
   28    HA   PRO   5           HA       PRO   5  -2.059  -4.537   2.495
   29   1HB   PRO   5          1HB       PRO   5  -3.562  -6.809   2.708
   30   2HB   PRO   5          2HB       PRO   5  -3.505  -5.577   3.953
   31   1HG   PRO   5          1HG       PRO   5  -5.656  -6.148   2.007
   32   2HG   PRO   5          2HG       PRO   5  -5.740  -5.235   3.501
   33   1HD   PRO   5          1HD       PRO   5  -5.655  -4.168   0.840
   34   2HD   PRO   5          2HD       PRO   5  -5.623  -3.256   2.335
   35    H    ALA   6           H        ALA   6  -3.941  -5.096  -0.339
   36    HA   ALA   6           HA       ALA   6  -2.472  -7.303  -1.272
   37   1HB   ALA   6          3HB       ALA   6  -4.652  -6.820  -2.164
   38   2HB   ALA   6          2HB       ALA   6  -3.484  -6.581  -3.486
   39   3HB   ALA   6          1HB       ALA   6  -4.164  -5.174  -2.633
   40    H    CYS   7           H        CYS   7  -1.585  -4.038  -0.746
   41    HA   CYS   7           HA       CYS   7   0.187  -3.832  -2.977
   42   1HB   CYS   7          2HB       CYS   7   0.916  -1.754  -1.944
   43   2HB   CYS   7          1HB       CYS   7   0.051  -2.143  -0.472
   44    H    GLY   8           H        GLY   8   0.186  -5.076   0.332
   45   1HA   GLY   8          1HA       GLY   8   1.785  -5.979   1.636
   46   2HA   GLY   8          2HA       GLY   8   2.432  -6.613   0.136
   47    HA   PRO   9           HA       PRO   9   5.901  -4.107   0.935
   48   1HB   PRO   9          1HB       PRO   9   7.303  -4.572  -1.364
   49   2HB   PRO   9          2HB       PRO   9   7.322  -5.663   0.007
   50   1HG   PRO   9          1HG       PRO   9   5.920  -5.961  -2.578
   51   2HG   PRO   9          2HG       PRO   9   6.301  -7.189  -1.389
   52   1HD   PRO   9          1HD       PRO   9   3.744  -5.970  -1.838
   53   2HD   PRO   9          2HD       PRO   9   4.152  -7.113  -0.574
   54    H    LYS  10           H        LYS  10   3.436  -3.327  -0.967
   55    HA   LYS  10           HA       LYS  10   4.779  -0.844  -1.787
   56   1HB   LYS  10          1HB       LYS  10   4.127  -2.351  -3.678
   57   2HB   LYS  10          2HB       LYS  10   2.454  -2.205  -3.178
   58   1HG   LYS  10          1HG       LYS  10   3.320   0.461  -3.260
   59   2HG   LYS  10          2HG       LYS  10   4.156  -0.265  -4.617
   60   1HD   LYS  10          1HD       LYS  10   1.218  -0.874  -4.240
   61   2HD   LYS  10          2HD       LYS  10   1.672   0.694  -4.880
   62   1HE   LYS  10          1HE       LYS  10   3.158  -0.623  -6.574
   63   2HE   LYS  10          2HE       LYS  10   2.270  -2.046  -6.065
   64   1HZ   LYS  10          1HZ       LYS  10   0.259  -0.484  -6.527
   65   2HZ   LYS  10          2HZ       LYS  10   1.316   0.268  -7.519
   66   3HZ   LYS  10          3HZ       LYS  10   0.972  -1.313  -7.740
   67    H    TYR  11           H        TYR  11   2.845  -2.176   0.526
   68    HA   TYR  11           HA       TYR  11   0.588  -0.539   0.574
   69   1HB   TYR  11          1HB       TYR  11   0.949  -2.598   1.942
   70   2HB   TYR  11          2HB       TYR  11   2.365  -1.892   2.694
   71    HD1  TYR  11           HD1      TYR  11   2.006   0.225   4.155
   72    HD2  TYR  11           HD2      TYR  11  -1.161  -2.390   2.956
   73    HE1  TYR  11           HE1      TYR  11   0.555   1.100   6.051
   74    HE2  TYR  11           HE2      TYR  11  -2.601  -1.506   4.857
   75    HH   TYR  11           HH       TYR  11  -1.515  -0.053   7.412
   76    H    SER  12           H        SER  12   0.393   1.624   0.830
   77    HA   SER  12           HA       SER  12   2.233   2.898   2.658
   78   1HB   SER  12          1HB       SER  12   2.268   3.243  -0.247
   79   2HB   SER  12          2HB       SER  12   1.925   4.766   0.551
   80    HG   SER  12           HG       SER  12   4.062   3.116   1.526
   81    H    CYS  13           H        CYS  13   0.920   3.898   4.137
   82    HA   CYS  13           HA       CYS  13  -1.629   4.933   3.129
   83   1HB   CYS  13          1HB       CYS  13  -0.859   3.544   5.637
   84   2HB   CYS  13          2HB       CYS  13  -2.005   4.859   5.797

  No H/Q in entry =          84
  Start of MODEL   35
    1    H1   ILE   1           H1       ILE   1   0.975   5.998  -3.308
    2    H2   ILE   1           H2       ILE   1   0.788   7.347  -2.368
    3    H3   ILE   1           H3       ILE   1   2.258   6.590  -2.445
    4    HA   ILE   1           HA       ILE   1   1.770   5.101  -0.952
    5    HB   ILE   1           HB       ILE   1  -0.013   5.854   0.620
    6   1HG1  ILE   1          1HG1      ILE   1  -0.523   8.228  -1.150
    7   2HG1  ILE   1          2HG1      ILE   1  -1.378   6.709  -1.514
    8   1HG2  ILE   1          1HG2      ILE   1   1.934   7.854  -0.568
    9   2HG2  ILE   1          2HG2      ILE   1   0.927   8.262   0.843
   10   3HG2  ILE   1          3HG2      ILE   1   2.086   6.914   0.936
   11   1HD1  ILE   1          1HD1      ILE   1  -1.295   7.838   1.299
   12   2HD1  ILE   1          2HD1      ILE   1  -2.516   8.376   0.122
   13   3HD1  ILE   1          3HD1      ILE   1  -2.439   6.664   0.604
   14    H    CYS   2           H        CYS   2   0.344   3.352  -0.183
   15    HA   CYS   2           HA       CYS   2  -1.902   2.848  -1.966
   16   1HB   CYS   2          1HB       CYS   2   0.195   1.713  -2.821
   17   2HB   CYS   2          2HB       CYS   2   0.169   0.730  -1.370
   18    H    CYS   3           H        CYS   3  -3.433   3.120  -0.308
   19    HA   CYS   3           HA       CYS   3  -2.923   1.963   2.268
   20   1HB   CYS   3          1HB       CYS   3  -4.917   3.795   1.080
   21   2HB   CYS   3          2HB       CYS   3  -5.522   2.756   2.355
   22    H    ASN   4           H        ASN   4  -2.649  -0.235   1.007
   23    HA   ASN   4           HA       ASN   4  -5.158  -1.595   1.306
   24   1HB   ASN   4          1HB       ASN   4  -4.171  -0.885  -1.296
   25   2HB   ASN   4          2HB       ASN   4  -3.876  -2.603  -1.118
   26   2HD2  ASN   4          1HD2      ASN   4  -5.553  -2.058  -2.999
   27   1HD2  ASN   4          2HD2      ASN   4  -7.209  -2.345  -2.583
   28    HA   PRO   5           HA       PRO   5  -2.249  -4.576   2.688
   29   1HB   PRO   5          1HB       PRO   5  -3.794  -6.829   2.767
   30   2HB   PRO   5          2HB       PRO   5  -3.816  -5.608   4.024
   31   1HG   PRO   5          2HG       PRO   5  -6.006  -5.232   3.406
   32   2HG   PRO   5          1HG       PRO   5  -5.821  -6.134   1.916
   33   1HD   PRO   5          1HD       PRO   5  -5.705  -4.146   0.769
   34   2HD   PRO   5          2HD       PRO   5  -5.774  -3.246   2.270
   35    H    ALA   6           H        ALA   6  -3.980  -5.193  -0.250
   36    HA   ALA   6           HA       ALA   6  -2.346  -7.345  -1.069
   37   1HB   ALA   6          1HB       ALA   6  -4.602  -5.813  -2.026
   38   2HB   ALA   6          2HB       ALA   6  -3.401  -5.984  -3.329
   39   3HB   ALA   6          3HB       ALA   6  -4.054  -7.431  -2.523
   40    H    CYS   7           H        CYS   7  -1.684  -4.039  -0.581
   41    HA   CYS   7           HA       CYS   7   0.017  -3.629  -2.806
   42   1HB   CYS   7          1HB       CYS   7  -0.014  -2.164  -0.161
   43   2HB   CYS   7          2HB       CYS   7   0.721  -1.616  -1.655
   44    H    GLY   8           H        GLY   8   0.254  -5.051   0.445
   45   1HA   GLY   8          1HA       GLY   8   1.957  -5.986   1.585
   46   2HA   GLY   8          2HA       GLY   8   2.495  -6.550   0.015
   47    HA   PRO   9           HA       PRO   9   5.988  -4.033   0.665
   48   1HB   PRO   9          1HB       PRO   9   7.235  -4.411  -1.737
   49   2HB   PRO   9          2HB       PRO   9   7.359  -5.542  -0.404
   50   1HG   PRO   9          2HG       PRO   9   6.261  -7.037  -1.774
   51   2HG   PRO   9          1HG       PRO   9   5.788  -5.778  -2.897
   52   1HD   PRO   9          1HD       PRO   9   3.667  -5.838  -2.011
   53   2HD   PRO   9          2HD       PRO   9   4.173  -7.012  -0.814
   54    H    LYS  10           H        LYS  10   3.388  -3.215  -1.016
   55    HA   LYS  10           HA       LYS  10   4.648  -0.697  -1.858
   56   1HB   LYS  10          1HB       LYS  10   3.841  -2.208  -3.722
   57   2HB   LYS  10          2HB       LYS  10   2.211  -1.979  -3.120
   58   1HG   LYS  10          1HG       LYS  10   3.245   0.638  -3.241
   59   2HG   LYS  10          2HG       LYS  10   3.906  -0.132  -4.670
   60   1HD   LYS  10          1HD       LYS  10   0.975  -0.528  -4.031
   61   2HD   LYS  10          2HD       LYS  10   1.486   1.000  -4.719
   62   1HE   LYS  10          1HE       LYS  10   1.900   0.083  -6.782
   63   2HE   LYS  10          2HE       LYS  10   2.647  -1.351  -6.107
   64   1HZ   LYS  10          1HZ       LYS  10   0.156  -1.760  -5.401
   65   2HZ   LYS  10          2HZ       LYS  10  -0.119  -0.877  -6.748
   66   3HZ   LYS  10          3HZ       LYS  10   0.751  -2.255  -6.839
   67    H    TYR  11           H        TYR  11   2.835  -2.157   0.506
   68    HA   TYR  11           HA       TYR  11   0.601  -0.519   0.769
   69   1HB   TYR  11          1HB       TYR  11   1.128  -2.664   2.002
   70   2HB   TYR  11          2HB       TYR  11   2.494  -1.890   2.780
   71    HD1  TYR  11           HD1      TYR  11  -0.967  -0.556   2.278
   72    HD2  TYR  11           HD2      TYR  11   1.969  -1.944   5.064
   73    HE1  TYR  11           HE1      TYR  11  -2.459   0.147   4.212
   74    HE2  TYR  11           HE2      TYR  11   0.467  -1.236   6.989
   75    HH   TYR  11           HH       TYR  11  -1.900   0.856   6.750
   76    H    SER  12           H        SER  12   0.433   1.635   1.115
   77    HA   SER  12           HA       SER  12   2.206   2.836   3.008
   78   1HB   SER  12          1HB       SER  12   2.602   3.157   0.122
   79   2HB   SER  12          2HB       SER  12   2.285   4.702   0.887
   80    HG   SER  12           HG       SER  12   4.143   2.938   2.151
   81    H    CYS  13           H        CYS  13   0.994   4.256   4.223
   82    HA   CYS  13           HA       CYS  13  -1.489   5.201   2.988
   83   1HB   CYS  13          1HB       CYS  13  -0.865   4.166   5.704
   84   2HB   CYS  13          2HB       CYS  13  -1.996   5.500   5.605

  No H/Q in entry =          84
  Start of MODEL   36
    1    H1   ILE   1           H1       ILE   1   1.165   5.691  -3.816
    2    H2   ILE   1           H2       ILE   1   1.529   7.087  -3.004
    3    H3   ILE   1           H3       ILE   1   2.718   5.979  -3.320
    4    HA   ILE   1           HA       ILE   1   2.272   4.751  -1.597
    5    HB   ILE   1           HB       ILE   1   1.084   5.995   0.218
    6   1HG1  ILE   1          1HG1      ILE   1   0.796   8.491  -1.236
    7   2HG1  ILE   1          2HG1      ILE   1  -0.193   7.223  -2.001
    8   1HG2  ILE   1          1HG2      ILE   1   3.040   7.581  -1.500
    9   2HG2  ILE   1          2HG2      ILE   1   2.632   7.965   0.189
   10   3HG2  ILE   1          3HG2      ILE   1   3.453   6.436  -0.202
   11   1HD1  ILE   1          1HD1      ILE   1  -0.193   7.871   0.977
   12   2HD1  ILE   1          2HD1      ILE   1  -1.417   8.433  -0.185
   13   3HD1  ILE   1          3HD1      ILE   1  -1.240   6.694   0.150
   14    H    CYS   2           H        CYS   2   1.010   3.032  -0.984
   15    HA   CYS   2           HA       CYS   2  -1.644   2.985  -2.194
   16   1HB   CYS   2          1HB       CYS   2   0.113   1.221  -2.733
   17   2HB   CYS   2          2HB       CYS   2  -0.107   0.631  -1.097
   18    H    CYS   3           H        CYS   3  -3.227   1.509  -0.761
   19    HA   CYS   3           HA       CYS   3  -2.749   1.857   2.063
   20   1HB   CYS   3          1HB       CYS   3  -3.839   3.985   1.141
   21   2HB   CYS   3          2HB       CYS   3  -5.273   3.011   0.885
   22    H    ASN   4           H        ASN   4  -2.608  -0.558   1.141
   23    HA   ASN   4           HA       ASN   4  -5.071  -1.753   1.908
   24   1HB   ASN   4          1HB       ASN   4  -4.613  -1.344  -0.875
   25   2HB   ASN   4          2HB       ASN   4  -4.231  -3.032  -0.602
   26   2HD2  ASN   4          1HD2      ASN   4  -5.932  -4.040  -1.435
   27   1HD2  ASN   4          2HD2      ASN   4  -7.579  -3.846  -0.939
   28    HA   PRO   5           HA       PRO   5  -2.164  -4.860   2.974
   29   1HB   PRO   5          1HB       PRO   5  -3.638  -7.161   2.968
   30   2HB   PRO   5          2HB       PRO   5  -3.681  -5.999   4.279
   31   1HG   PRO   5          2HG       PRO   5  -5.889  -5.662   3.703
   32   2HG   PRO   5          1HG       PRO   5  -5.695  -6.491   2.172
   33   1HD   PRO   5          1HD       PRO   5  -5.655  -4.450   1.115
   34   2HD   PRO   5          2HD       PRO   5  -5.733  -3.621   2.657
   35    H    ALA   6           H        ALA   6  -3.998  -5.585   0.091
   36    HA   ALA   6           HA       ALA   6  -2.227  -7.559  -0.844
   37   1HB   ALA   6          3HB       ALA   6  -4.405  -7.515  -1.765
   38   2HB   ALA   6          1HB       ALA   6  -4.324  -5.770  -2.102
   39   3HB   ALA   6          2HB       ALA   6  -3.365  -6.909  -3.076
   40    H    CYS   7           H        CYS   7  -1.854  -4.183  -0.385
   41    HA   CYS   7           HA       CYS   7  -0.233  -3.668  -2.652
   42   1HB   CYS   7          2HB       CYS   7   0.288  -1.568  -1.564
   43   2HB   CYS   7          1HB       CYS   7  -0.367  -2.144  -0.045
   44    H    GLY   8           H        GLY   8   0.192  -4.906   0.666
   45   1HA   GLY   8          1HA       GLY   8   1.996  -5.632   1.805
   46   2HA   GLY   8          2HA       GLY   8   2.536  -6.243   0.253
   47    HA   PRO   9           HA       PRO   9   5.828  -3.420   0.674
   48   1HB   PRO   9          1HB       PRO   9   7.081  -3.886  -1.710
   49   2HB   PRO   9          2HB       PRO   9   7.307  -4.895  -0.295
   50   1HG   PRO   9          1HG       PRO   9   5.738  -5.454  -2.736
   51   2HG   PRO   9          2HG       PRO   9   6.321  -6.578  -1.526
   52   1HD   PRO   9          1HD       PRO   9   3.636  -5.612  -1.817
   53   2HD   PRO   9          2HD       PRO   9   4.247  -6.645  -0.539
   54    H    LYS  10           H        LYS  10   3.149  -2.929  -0.984
   55    HA   LYS  10           HA       LYS  10   4.211  -0.459  -2.168
   56   1HB   LYS  10          1HB       LYS  10   3.216  -2.227  -3.715
   57   2HB   LYS  10          2HB       LYS  10   1.664  -1.879  -2.978
   58   1HG   LYS  10          1HG       LYS  10   2.437   0.670  -3.518
   59   2HG   LYS  10          2HG       LYS  10   3.351  -0.151  -4.768
   60   1HD   LYS  10          1HD       LYS  10   0.765  -1.341  -4.821
   61   2HD   LYS  10          2HD       LYS  10   0.480   0.378  -4.634
   62   1HE   LYS  10          1HE       LYS  10   2.543  -0.465  -6.662
   63   2HE   LYS  10          2HE       LYS  10   0.861  -0.761  -7.057
   64   1HZ   LYS  10          1HZ       LYS  10   0.636   1.686  -6.252
   65   2HZ   LYS  10          2HZ       LYS  10   2.216   1.767  -6.655
   66   3HZ   LYS  10          3HZ       LYS  10   1.107   1.350  -7.779
   67    H    TYR  11           H        TYR  11   2.562  -1.767   0.469
   68    HA   TYR  11           HA       TYR  11   0.489   0.147   0.743
   69   1HB   TYR  11          1HB       TYR  11   0.741  -2.174   1.823
   70   2HB   TYR  11          2HB       TYR  11   2.084  -1.553   2.762
   71    HD1  TYR  11           HD1      TYR  11  -1.089   0.261   2.040
   72    HD2  TYR  11           HD2      TYR  11   1.232  -1.839   4.958
   73    HE1  TYR  11           HE1      TYR  11  -2.700   0.999   3.863
   74    HE2  TYR  11           HE2      TYR  11  -0.387  -1.094   6.771
   75    HH   TYR  11           HH       TYR  11  -2.083   0.173   7.257
   76    H    SER  12           H        SER  12   0.736   2.287   1.128
   77    HA   SER  12           HA       SER  12   2.758   3.032   3.054
   78   1HB   SER  12          1HB       SER  12   3.154   3.406   0.286
   79   2HB   SER  12          2HB       SER  12   2.639   4.979   0.861
   80    HG   SER  12           HG       SER  12   5.059   3.737   1.184
   81    H    CYS  13           H        CYS  13   0.333   2.940   3.982
   82    HA   CYS  13           HA       CYS  13  -0.516   5.701   4.031
   83   1HB   CYS  13          1HB       CYS  13  -2.033   5.198   2.404
   84   2HB   CYS  13          2HB       CYS  13  -2.136   3.505   2.845

  No H/Q in entry =          84