*HEADER   PEPTIDE TOXIN                           18-NOV-98   1IM1    
*TITLE    NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1, 20           
*TITLE   2 STRUCTURES                                                 
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ALPHA-CONOTOXIN IM1;                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: NEUROTOXIN                                  
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;                     
*SOURCE  4 OTHER_DETAILS: VERMIVOROUS MARINE SNAIL                    
*KEYWDS   PEPTIDE TOXIN, NEUROTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR 
*KEYWDS  2 ANTAGONIST, ALPHA-CONOTOXIN, NMR STRUCTURE                 
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.P.ROGERS,P.LUGINBUHL,G.S.SHEN,R.T.MCCABE,R.C.STEVENS,     
*AUTHOR  2 D.E.WEMMER                                                 
*REVDAT  1   15-JUN-99 1IM1    0                                      
 
Upper Distance Constraints
==========================
  1 GLY  HA1     2 CYSS HN      2.83                
  1 GLY  HA2     2 CYSS HN      2.83                
  1 GLY  QA      3 CYSS HN      5.05                
  1 GLY  QA      4 SER  HN      5.42                
  2 CYSS HN      2 CYSS HB2     3.17                
  2 CYSS HN      2 CYSS HB3     3.17                
  2 CYSS HN      2 CYSS QB      2.95                
  2 CYSS HN      3 CYSS HN      3.05                
  2 CYSS HA      2 CYSS HB2     2.99                
  2 CYSS HA      2 CYSS HB3     2.99                
  2 CYSS HA      5 ASP- HB3     3.30                
  2 CYSS QB      3 CYSS HN      3.71                
  3 CYSS HN      3 CYSS HB2     2.68                
  3 CYSS HN      4 SER  HN      3.24                
  3 CYSS HA      3 CYSS HB3     2.55                
  3 CYSS HA      9 ALA  HA      2.77                
  3 CYSS HB2     4 SER  HN      3.73                
  3 CYSS HB2    12 CYSS QB      6.38                
  3 CYSS HB3    12 CYSS QB      4.99                
  5 ASP- HN      5 ASP- HB2     3.17                
  5 ASP- HN      5 ASP- HB3     2.99                
  5 ASP- HA      5 ASP- HB2     2.62                
  5 ASP- HA      6 PRO  HD2     2.55                
  5 ASP- HA      6 PRO  HD3     2.55                
  5 ASP- HA      6 PRO  QD      2.32                
  5 ASP- HB3     8 CYSS HN      3.24                
  6 PRO  HA      7 ARG+ HN      3.39                
  6 PRO  HA      8 CYSS HN      3.95                
  6 PRO  HA      9 ALA  QB      4.14                
  6 PRO  HD2     7 ARG+ HN      5.00                
  6 PRO  HD3     7 ARG+ HN      5.00                
  6 PRO  QD      7 ARG+ HN      4.80                
  7 ARG+ HN      7 ARG+ HB2     3.05                
  7 ARG+ HN      7 ARG+ HB3     3.05                
  7 ARG+ HN      7 ARG+ QB      2.81                
  7 ARG+ HN      7 ARG+ QG      4.36                
  7 ARG+ HN      7 ARG+ QD      6.38                
  7 ARG+ HN      7 ARG+ HE      5.50                
  7 ARG+ HN      8 CYSS HN      2.77                
  7 ARG+ HA      7 ARG+ HB2     2.86                
  7 ARG+ HA      7 ARG+ HB3     2.86                
  7 ARG+ HA      7 ARG+ QD      6.10                
  7 ARG+ HA      8 CYSS HN      3.24                
  7 ARG+ HB2     7 ARG+ HE      4.60                
  7 ARG+ HB2     8 CYSS HN      4.11                
  7 ARG+ HB3     7 ARG+ HE      4.60                
  7 ARG+ HB3     8 CYSS HN      4.11                
  7 ARG+ QB      7 ARG+ HE      4.01                
  7 ARG+ QB      8 CYSS HN      3.95                
  7 ARG+ QG      8 CYSS HN      6.38                
  8 CYSS HN      8 CYSS HB2     2.86                
  8 CYSS HN      8 CYSS HB3     3.76                
  8 CYSS HN      9 ALA  HN      2.86                
  8 CYSS HA      8 CYSS HB2     2.65                
  8 CYSS HA      9 ALA  HN      2.83                
  8 CYSS HA     10 TRP  HD1     5.00                
  9 ALA  HN     10 TRP  HN      3.39                
  9 ALA  HN     10 TRP  HD1     5.50                
  9 ALA  HA     10 TRP  HN      3.64                
  9 ALA  HA     12 CYSS HN      4.23                
  9 ALA  QB     12 CYSS HN      5.81                
 10 TRP  HN     10 TRP  HB2     3.30                
 10 TRP  HN     10 TRP  HB3     2.86                
 10 TRP  HN     10 TRP  HD1     2.99                
 10 TRP  HA     10 TRP  HB2     2.55                
 10 TRP  HA     10 TRP  HB3     2.59                
 10 TRP  HA     11 ARG+ HN      2.86                
 10 TRP  HB2    10 TRP  HE3     3.11                
 10 TRP  HB2    11 ARG+ HN      4.29                
 10 TRP  HB3    10 TRP  HD1     3.42                
 10 TRP  HB3    10 TRP  HE3     4.07                
 10 TRP  HB3    11 ARG+ HN      4.04                
 11 ARG+ HN     11 ARG+ QG      6.35                
 11 ARG+ HN     12 CYSS HN      3.45                
 11 ARG+ HA     11 ARG+ QD      6.38                
 11 ARG+ HA     12 CYSS HN      3.36                
 11 ARG+ QB     11 ARG+ HE      6.38                
 12 CYSS HN     12 CYSS HB2     3.98                
 12 CYSS HN     12 CYSS HB3     3.98                
 12 CYSS HN     12 CYSS QB      3.70     
 
Dihedral Angle Constraints
==========================           
   2 CYSS  PHI     -65.0   -45.0
   2 CYSS  CHI1   -235.0   -95.0
   3 CYSS  PHI     -65.0   -35.0
   3 CYSS  CHI1   -195.0   -35.0
   3 CYSS  CHI1    -95.0   205.0
   4 SER   PHI    -335.0   -25.0
   4 SER   PHI    -215.0    95.0
   5 ASP-  PHI    -325.0   -25.0
   5 ASP-  PHI    -145.0    45.0
   5 ASP-  CHI1    145.0   175.0
   7 ARG+  PHI     -95.0   -75.0
   7 ARG+  CHI1   -155.0  -115.0
   8 CYSS  PHI    -155.0   -95.0
   8 CYSS  PHI    -115.0   235.0
   8 CYSS  CHI1   -145.0  -135.0
   9 ALA   PHI    -335.0   -25.0
   9 ALA   PHI    -205.0    95.0
  10 TRP   PHI     -65.0   -35.0
  10 TRP   CHI1     75.0   105.0
  11 ARG+  PHI      25.0   295.0
  11 ARG+  PHI    -285.0    45.0
  11 ARG+  PHI    -175.0    95.0
  11 ARG+  PHI     -75.0   195.0
  11 ARG+  CHI1   -215.0    95.0
  12 CYSS  PHI    -325.0   -35.0
  12 CYSS  PHI    -215.0    85.0
  12 CYSS  CHI1   -255.0    25.0
  12 CYSS  CHI1   -205.0   125.0
  12 CYSS  CHI1   -145.0   195.0
  12 CYSS  CHI1    -65.0   225.0
  12 CYSS  CHI1     -5.0   325.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          2HN       GLY   1   4.561   8.291   3.476
    2   2H    GLY   1          3HN       GLY   1   4.168   8.963   4.932
    3   3H    GLY   1          1HN       GLY   1   4.896   7.476   4.861
    4   1HA   GLY   1          1HA       GLY   1   2.603   7.181   5.347
    5   2HA   GLY   1          2HA       GLY   1   2.202   8.132   3.901
    6    QA   GLY   1           QA       GLY   1   2.403   7.657   4.624
    7    H    CYS   2           H        CYS   2   1.330   5.411   4.339
    8    HA   CYS   2           HA       CYS   2   3.060   3.435   3.567
    9   1HB   CYS   2          1HB       CYS   2   0.250   3.717   4.124
   10   2HB   CYS   2          2HB       CYS   2   0.426   2.770   2.677
   11    QB   CYS   2           QB       CYS   2   0.338   3.243   3.401
   12    H    CYS   3           H        CYS   3   1.298   5.620   1.366
   13    HA   CYS   3           HA       CYS   3   1.239   3.954  -0.844
   14   1HB   CYS   3          1HB       CYS   3   1.702   6.935  -1.004
   15   2HB   CYS   3          2HB       CYS   3   0.867   5.893  -2.145
   16    QB   CYS   3           QB       CYS   3   1.285   6.414  -1.574
   17    H    SER   4           H        SER   4   4.099   5.583   0.442
   18    HA   SER   4           HA       SER   4   5.631   5.436  -2.003
   19   1HB   SER   4          1HB       SER   4   6.350   5.679   0.948
   20   2HB   SER   4          2HB       SER   4   7.569   5.603  -0.339
   21    HG   SER   4           HG       SER   4   6.627   7.321  -1.348
   22    QB   SER   4           QB       SER   4   6.960   5.641   0.304
   23    H    ASP   5           H        ASP   5   4.799   3.079   0.494
   24    HA   ASP   5           HA       ASP   5   6.888   1.169  -0.303
   25   1HB   ASP   5          1HB       ASP   5   6.330   1.235   2.061
   26   2HB   ASP   5          2HB       ASP   5   4.602   1.099   1.713
   27    QB   ASP   5           QB       ASP   5   5.466   1.167   1.887
   28    HA   PRO   6           HA       PRO   6   3.802   0.108  -3.447
   29   1HB   PRO   6          1HB       PRO   6   5.105  -1.886  -4.775
   30   2HB   PRO   6          2HB       PRO   6   5.528  -0.161  -4.968
   31   1HG   PRO   6          1HG       PRO   6   6.818  -2.186  -3.126
   32   2HG   PRO   6          2HG       PRO   6   7.639  -1.088  -4.273
   33   1HD   PRO   6          1HD       PRO   6   7.403  -0.480  -1.640
   34   2HD   PRO   6          2HD       PRO   6   7.218   0.802  -2.867
   35    QB   PRO   6           QB       PRO   6   5.317  -1.024  -4.872
   36    QG   PRO   6           QG       PRO   6   7.228  -1.637  -3.699
   37    QD   PRO   6           QD       PRO   6   7.311   0.161  -2.254
   38    H    ARG   7           H        ARG   7   5.130  -1.911  -0.973
   39    HA   ARG   7           HA       ARG   7   3.208  -4.096  -1.289
   40   1HB   ARG   7          1HB       ARG   7   5.730  -3.830  -0.120
   41   2HB   ARG   7          2HB       ARG   7   4.630  -3.803   1.258
   42   1HG   ARG   7          1HG       ARG   7   3.661  -5.970   0.482
   43   2HG   ARG   7          2HG       ARG   7   4.804  -5.979  -0.867
   44   1HD   ARG   7          1HD       ARG   7   5.654  -5.810   2.038
   45   2HD   ARG   7          2HD       ARG   7   5.492  -7.344   1.174
   46    HE   ARG   7           HE       ARG   7   7.124  -6.075  -0.499
   47   1HH1  ARG   7          2HH1      ARG   7   9.395  -5.981  -0.438
   48   2HH1  ARG   7          1HH1      ARG   7  10.241  -5.791   1.062
   49   1HH2  ARG   7          2HH2      ARG   7   7.354  -6.324   3.064
   50   2HH2  ARG   7          1HH2      ARG   7   9.094  -6.270   3.063
   51    QB   ARG   7           QB       ARG   7   5.180  -3.817   0.569
   52    QG   ARG   7           QG       ARG   7   4.233  -5.975  -0.192
   53    QD   ARG   7           QD       ARG   7   5.573  -6.577   1.606
   54    QH1  ARG   7           QH1      ARG   7   9.818  -5.886   0.312
   55    QH2  ARG   7           QH2      ARG   7   8.224  -6.297   3.064
   56    H    CYS   8           H        CYS   8   2.949  -0.956  -0.280
   57    HA   CYS   8           HA       CYS   8   0.487  -1.466   1.202
   58   1HB   CYS   8          1HB       CYS   8   2.649  -0.620   2.566
   59   2HB   CYS   8          2HB       CYS   8   2.154   0.922   1.892
   60    QB   CYS   8           QB       CYS   8   2.401   0.151   2.229
   61    H    ALA   9           H        ALA   9   1.082  -0.892  -1.589
   62    HA   ALA   9           HA       ALA   9   0.289   1.924  -2.005
   63   1HB   ALA   9          2HB       ALA   9   0.745  -0.329  -3.998
   64   2HB   ALA   9          3HB       ALA   9   0.371   1.364  -4.391
   65   3HB   ALA   9          1HB       ALA   9   1.878   0.980  -3.557
   66    QB   ALA   9           QB       ALA   9   0.998   0.671  -3.982
   67    H    TRP  10           H        TRP  10  -1.409  -1.203  -1.678
   68    HA   TRP  10           HA       TRP  10  -3.644  -0.630  -3.183
   69   1HB   TRP  10          1HB       TRP  10  -4.557  -2.412  -2.024
   70   2HB   TRP  10          2HB       TRP  10  -2.870  -2.779  -2.107
   71    HD1  TRP  10           HD       TRP  10  -1.564  -1.874   0.388
   72    HE1  TRP  10          1HE       TRP  10  -2.285  -2.556   2.755
   73    HE3  TRP  10          3HE       TRP  10  -6.479  -2.873  -0.537
   74    HZ2  TRP  10          2HZ       TRP  10  -4.597  -3.802   3.972
   75    HZ3  TRP  10          3HZ       TRP  10  -7.930  -3.793   1.243
   76    HH2  TRP  10           HH       TRP  10  -6.998  -4.286   3.492
   77    QB   TRP  10           QB       TRP  10  -3.713  -2.596  -2.066
   78    H    ARG  11           H        ARG  11  -5.694   0.068  -2.590
   79    HA   ARG  11           HA       ARG  11  -7.083   1.763  -2.174
   80   1HB   ARG  11          1HB       ARG  11  -6.058   1.604   0.698
   81   2HB   ARG  11          2HB       ARG  11  -7.522   2.411   0.168
   82   1HG   ARG  11          1HG       ARG  11  -7.057  -0.586   0.009
   83   2HG   ARG  11          2HG       ARG  11  -7.975   0.276   1.257
   84   1HD   ARG  11          1HD       ARG  11  -9.427   1.224  -0.613
   85   2HD   ARG  11          2HD       ARG  11  -8.626   0.104  -1.711
   86    HE   ARG  11           HE       ARG  11  -9.600  -1.720  -0.662
   87   1HH1  ARG  11          2HH1      ARG  11 -11.394  -2.690   0.404
   88   2HH1  ARG  11          1HH1      ARG  11 -12.577  -1.676   1.182
   89   1HH2  ARG  11          2HH2      ARG  11 -10.677   1.291   0.881
   90   2HH2  ARG  11          1HH2      ARG  11 -12.110   0.628   1.556
   91    QB   ARG  11           QB       ARG  11  -6.790   2.008   0.433
   92    QG   ARG  11           QG       ARG  11  -7.516  -0.155   0.633
   93    QD   ARG  11           QD       ARG  11  -9.026   0.664  -1.162
   94    QH1  ARG  11           QH1      ARG  11 -11.985  -2.183   0.793
   95    QH2  ARG  11           QH2      ARG  11 -11.393   0.960   1.219
   96    H    CYS  12           H        CYS  12  -3.789   2.402  -1.497
   97    HA   CYS  12           HA       CYS  12  -3.921   4.882  -0.277
   98   1HB   CYS  12          2HB       CYS  12  -2.024   2.970  -0.910
   99   2HB   CYS  12          3HB       CYS  12  -1.541   4.285  -1.968
  100    QB   CYS  12           QB       CYS  12  -1.782   3.628  -1.439
   
  No H/Q in entry =         100
  Start of MODEL    2
    1   1H    GLY   1          1HN       GLY   1   4.509   8.367   3.298
    2   2H    GLY   1          2HN       GLY   1   3.130   8.942   2.595
    3   3H    GLY   1          3HN       GLY   1   3.562   9.449   4.108
    4   1HA   GLY   1          1HA       GLY   1   3.153   7.374   5.065
    5   2HA   GLY   1          2HA       GLY   1   1.742   7.839   4.102
    6    QA   GLY   1           QA       GLY   1   2.448   7.607   4.583
    7    H    CYS   2           H        CYS   2   1.394   5.470   4.238
    8    HA   CYS   2           HA       CYS   2   3.139   3.473   3.512
    9   1HB   CYS   2          1HB       CYS   2   0.391   3.700   4.245
   10   2HB   CYS   2          2HB       CYS   2   0.406   2.811   2.739
   11    QB   CYS   2           QB       CYS   2   0.398   3.256   3.492
   12    H    CYS   3           H        CYS   3   1.174   5.422   1.226
   13    HA   CYS   3           HA       CYS   3   1.169   3.641  -0.867
   14   1HB   CYS   3          1HB       CYS   3   1.478   6.591  -1.252
   15   2HB   CYS   3          2HB       CYS   3   0.427   5.473  -2.115
   16    QB   CYS   3           QB       CYS   3   0.952   6.032  -1.683
   17    H    SER   4           H        SER   4   3.832   5.463   0.362
   18    HA   SER   4           HA       SER   4   5.589   5.596  -1.909
   19   1HB   SER   4          1HB       SER   4   5.750   7.043   0.067
   20   2HB   SER   4          2HB       SER   4   5.910   5.634   1.120
   21    HG   SER   4           HG       SER   4   7.767   6.643  -0.760
   22    QB   SER   4           QB       SER   4   5.830   6.339   0.594
   23    H    ASP   5           H        ASP   5   4.736   3.066   0.467
   24    HA   ASP   5           HA       ASP   5   7.074   1.405  -0.123
   25   1HB   ASP   5          1HB       ASP   5   6.307   1.471   2.182
   26   2HB   ASP   5          2HB       ASP   5   4.655   1.055   1.714
   27    QB   ASP   5           QB       ASP   5   5.481   1.263   1.948
   28    HA   PRO   6           HA       PRO   6   4.726  -0.097  -3.472
   29   1HB   PRO   6          1HB       PRO   6   6.116  -2.298  -4.342
   30   2HB   PRO   6          2HB       PRO   6   6.708  -0.621  -4.516
   31   1HG   PRO   6          1HG       PRO   6   7.404  -2.619  -2.347
   32   2HG   PRO   6          2HG       PRO   6   8.504  -1.569  -3.302
   33   1HD   PRO   6          1HD       PRO   6   7.649  -0.910  -0.793
   34   2HD   PRO   6          2HD       PRO   6   7.934   0.331  -2.038
   35    QB   PRO   6           QB       PRO   6   6.412  -1.460  -4.429
   36    QG   PRO   6           QG       PRO   6   7.954  -2.094  -2.825
   37    QD   PRO   6           QD       PRO   6   7.791  -0.289  -1.415
   38    H    ARG   7           H        ARG   7   4.954  -1.995  -0.587
   39    HA   ARG   7           HA       ARG   7   2.997  -3.980  -1.512
   40   1HB   ARG   7          1HB       ARG   7   5.233  -4.433  -0.246
   41   2HB   ARG   7          2HB       ARG   7   4.292  -3.889   1.136
   42   1HG   ARG   7          1HG       ARG   7   3.359  -5.888   1.344
   43   2HG   ARG   7          2HG       ARG   7   2.624  -5.730  -0.242
   44   1HD   ARG   7          1HD       ARG   7   3.801  -7.738  -0.396
   45   2HD   ARG   7          2HD       ARG   7   4.856  -6.566  -1.209
   46    HE   ARG   7           HE       ARG   7   5.397  -6.858   1.635
   47   1HH1  ARG   7          2HH1      ARG   7   7.226  -7.877   2.337
   48   2HH1  ARG   7          1HH1      ARG   7   8.152  -8.975   1.356
   49   1HH2  ARG   7          2HH2      ARG   7   6.049  -8.390  -1.510
   50   2HH2  ARG   7          1HH2      ARG   7   7.383  -9.337  -0.921
   51    QB   ARG   7           QB       ARG   7   4.763  -4.161   0.445
   52    QG   ARG   7           QG       ARG   7   2.992  -5.809   0.551
   53    QD   ARG   7           QD       ARG   7   4.329  -7.152  -0.803
   54    QH1  ARG   7           QH1      ARG   7   7.689  -8.426   1.847
   55    QH2  ARG   7           QH2      ARG   7   6.716  -8.864  -1.215
   56    H    CYS   8           H        CYS   8   2.964  -0.918  -0.313
   57    HA   CYS   8           HA       CYS   8   0.344  -1.294   1.022
   58   1HB   CYS   8          1HB       CYS   8   2.565  -0.656   2.386
   59   2HB   CYS   8          2HB       CYS   8   2.160   0.931   1.801
   60    QB   CYS   8           QB       CYS   8   2.363   0.137   2.094
   61    H    ALA   9           H        ALA   9   0.897  -0.706  -1.763
   62    HA   ALA   9           HA       ALA   9   0.092   2.119  -2.155
   63   1HB   ALA   9          1HB       ALA   9   1.597   1.085  -3.780
   64   2HB   ALA   9          2HB       ALA   9   0.403  -0.185  -4.130
   65   3HB   ALA   9          3HB       ALA   9   0.056   1.511  -4.543
   66    QB   ALA   9           QB       ALA   9   0.685   0.804  -4.151
   67    H    TRP  10           H        TRP  10  -1.440  -1.096  -1.735
   68    HA   TRP  10           HA       TRP  10  -3.770  -0.613  -3.117
   69   1HB   TRP  10          1HB       TRP  10  -4.469  -2.514  -2.267
   70   2HB   TRP  10          2HB       TRP  10  -2.815  -2.709  -1.867
   71    HD1  TRP  10           HD       TRP  10  -2.177  -2.434   0.805
   72    HE1  TRP  10          1HE       TRP  10  -3.580  -2.748   2.926
   73    HE3  TRP  10          3HE       TRP  10  -6.846  -2.143  -1.265
   74    HZ2  TRP  10          2HZ       TRP  10  -6.376  -3.090   3.601
   75    HZ3  TRP  10          3HZ       TRP  10  -8.861  -2.537   0.123
   76    HH2  TRP  10           HH       TRP  10  -8.642  -3.054   2.541
   77    QB   TRP  10           QB       TRP  10  -3.642  -2.611  -2.067
   78    H    ARG  11           H        ARG  11  -5.696   0.143  -2.615
   79    HA   ARG  11           HA       ARG  11  -7.060   1.884  -2.119
   80   1HB   ARG  11          1HB       ARG  11  -7.593   0.195  -0.454
   81   2HB   ARG  11          2HB       ARG  11  -6.410   0.846   0.663
   82   1HG   ARG  11          1HG       ARG  11  -8.655   1.287   1.341
   83   2HG   ARG  11          2HG       ARG  11  -7.811   2.788   1.093
   84   1HD   ARG  11          1HD       ARG  11  -9.750   1.519  -0.895
   85   2HD   ARG  11          2HD       ARG  11 -10.199   2.753   0.270
   86    HE   ARG  11           HE       ARG  11  -8.191   4.009  -0.926
   87   1HH1  ARG  11          2HH1      ARG  11  -7.970   5.077  -2.911
   88   2HH1  ARG  11          1HH1      ARG  11  -8.974   4.649  -4.262
   89   1HH2  ARG  11          2HH2      ARG  11 -10.897   2.270  -2.455
   90   2HH2  ARG  11          1HH2      ARG  11 -10.625   2.928  -4.017
   91    QB   ARG  11           QB       ARG  11  -7.002   0.521   0.104
   92    QG   ARG  11           QG       ARG  11  -8.233   2.038   1.217
   93    QD   ARG  11           QD       ARG  11  -9.975   2.136  -0.312
   94    QH1  ARG  11           QH1      ARG  11  -8.472   4.863  -3.586
   95    QH2  ARG  11           QH2      ARG  11 -10.761   2.599  -3.236
   96    H    CYS  12           H        CYS  12  -3.905   2.583  -1.905
   97    HA   CYS  12           HA       CYS  12  -4.022   4.744   0.047
   98   1HB   CYS  12          2HB       CYS  12  -2.239   2.820  -0.365
   99   2HB   CYS  12          3HB       CYS  12  -1.585   3.968  -1.528
  100    QB   CYS  12           QB       CYS  12  -1.912   3.394  -0.946
   
  No H/Q in entry =         100
  Start of MODEL    3
    1   1H    GLY   1          2HN       GLY   1   4.803   6.563   5.138
    2   2H    GLY   1          3HN       GLY   1   5.140   7.366   3.749
    3   3H    GLY   1          1HN       GLY   1   4.431   8.166   5.011
    4   1HA   GLY   1          1HA       GLY   1   2.468   6.840   4.809
    5   2HA   GLY   1          2HA       GLY   1   2.809   7.668   3.286
    6    QA   GLY   1           QA       GLY   1   2.639   7.254   4.047
    7    H    CYS   2           H        CYS   2   1.347   5.216   3.816
    8    HA   CYS   2           HA       CYS   2   2.854   2.913   2.948
    9   1HB   CYS   2          1HB       CYS   2   0.087   3.665   3.741
   10   2HB   CYS   2          2HB       CYS   2   0.175   2.499   2.468
   11    QB   CYS   2           QB       CYS   2   0.131   3.082   3.104
   12    H    CYS   3           H        CYS   3   1.194   5.627   1.328
   13    HA   CYS   3           HA       CYS   3   0.914   4.469  -1.243
   14   1HB   CYS   3          1HB       CYS   3   1.669   7.283  -0.404
   15   2HB   CYS   3          2HB       CYS   3   1.231   6.832  -2.044
   16    QB   CYS   3           QB       CYS   3   1.450   7.057  -1.224
   17    H    SER   4           H        SER   4   3.890   5.431   0.456
   18    HA   SER   4           HA       SER   4   5.546   5.531  -1.954
   19   1HB   SER   4          1HB       SER   4   6.289   5.218   0.987
   20   2HB   SER   4          2HB       SER   4   7.402   5.565  -0.345
   21    HG   SER   4           HG       SER   4   5.184   7.206   0.433
   22    QB   SER   4           QB       SER   4   6.846   5.391   0.321
   23    H    ASP   5           H        ASP   5   4.919   3.210   0.673
   24    HA   ASP   5           HA       ASP   5   6.841   1.247  -0.093
   25   1HB   ASP   5          1HB       ASP   5   6.072   1.607   2.198
   26   2HB   ASP   5          2HB       ASP   5   4.407   1.241   1.740
   27    QB   ASP   5           QB       ASP   5   5.240   1.424   1.969
   28    HA   PRO   6           HA       PRO   6   4.086   0.002  -3.418
   29   1HB   PRO   6          1HB       PRO   6   5.406  -2.147  -4.496
   30   2HB   PRO   6          2HB       PRO   6   5.958  -0.457  -4.680
   31   1HG   PRO   6          1HG       PRO   6   6.927  -2.509  -2.686
   32   2HG   PRO   6          2HG       PRO   6   7.903  -1.424  -3.726
   33   1HD   PRO   6          1HD       PRO   6   7.332  -0.841  -1.103
   34   2HD   PRO   6          2HD       PRO   6   7.454   0.446  -2.334
   35    QB   PRO   6           QB       PRO   6   5.682  -1.302  -4.588
   36    QG   PRO   6           QG       PRO   6   7.415  -1.966  -3.206
   37    QD   PRO   6           QD       PRO   6   7.393  -0.197  -1.718
   38    H    ARG   7           H        ARG   7   5.129  -2.145  -0.914
   39    HA   ARG   7           HA       ARG   7   3.112  -4.170  -1.299
   40   1HB   ARG   7          1HB       ARG   7   5.493  -4.333  -0.298
   41   2HB   ARG   7          2HB       ARG   7   4.700  -3.764   1.155
   42   1HG   ARG   7          1HG       ARG   7   3.329  -6.064  -0.109
   43   2HG   ARG   7          2HG       ARG   7   5.011  -6.396   0.293
   44   1HD   ARG   7          1HD       ARG   7   2.943  -5.358   2.262
   45   2HD   ARG   7          2HD       ARG   7   3.454  -7.046   2.076
   46    HE   ARG   7           HE       ARG   7   5.717  -5.309   2.494
   47   1HH1  ARG   7          2HH1      ARG   7   6.803  -5.338   4.562
   48   2HH1  ARG   7          1HH1      ARG   7   6.017  -6.036   5.932
   49   1HH2  ARG   7          2HH2      ARG   7   3.088  -6.995   4.171
   50   2HH2  ARG   7          1HH2      ARG   7   3.965  -7.188   5.659
   51    QB   ARG   7           QB       ARG   7   5.096  -4.049   0.428
   52    QG   ARG   7           QG       ARG   7   4.170  -6.230   0.092
   53    QD   ARG   7           QD       ARG   7   3.198  -6.202   2.169
   54    QH1  ARG   7           QH1      ARG   7   6.410  -5.687   5.247
   55    QH2  ARG   7           QH2      ARG   7   3.526  -7.092   4.915
   56    H    CYS   8           H        CYS   8   2.984  -1.055  -0.155
   57    HA   CYS   8           HA       CYS   8   0.399  -1.533   1.123
   58   1HB   CYS   8          1HB       CYS   8   2.544  -0.796   2.593
   59   2HB   CYS   8          2HB       CYS   8   2.111   0.782   1.981
   60    QB   CYS   8           QB       CYS   8   2.327  -0.007   2.287
   61    H    ALA   9           H        ALA   9   1.451  -0.532  -1.419
   62    HA   ALA   9           HA       ALA   9   0.357   2.183  -1.718
   63   1HB   ALA   9          2HB       ALA   9   1.216   0.185  -3.851
   64   2HB   ALA   9          3HB       ALA   9   0.804   1.893  -4.140
   65   3HB   ALA   9          1HB       ALA   9   2.214   1.480  -3.137
   66    QB   ALA   9           QB       ALA   9   1.411   1.186  -3.709
   67    H    TRP  10           H        TRP  10  -1.119  -0.962  -1.685
   68    HA   TRP  10           HA       TRP  10  -3.350  -0.435  -3.291
   69   1HB   TRP  10          1HB       TRP  10  -4.081  -2.363  -2.526
   70   2HB   TRP  10          2HB       TRP  10  -2.493  -2.533  -1.898
   71    HD1  TRP  10           HD       TRP  10  -2.519  -1.236   0.865
   72    HE1  TRP  10          1HE       TRP  10  -4.282  -1.521   2.684
   73    HE3  TRP  10          3HE       TRP  10  -6.202  -3.473  -1.908
   74    HZ2  TRP  10          2HZ       TRP  10  -6.922  -2.633   2.947
   75    HZ3  TRP  10          3HZ       TRP  10  -8.357  -4.087  -0.846
   76    HH2  TRP  10           HH       TRP  10  -8.734  -3.667   1.562
   77    QB   TRP  10           QB       TRP  10  -3.287  -2.448  -2.212
   78    H    ARG  11           H        ARG  11  -5.333   0.341  -2.723
   79    HA   ARG  11           HA       ARG  11  -6.768   1.999  -1.906
   80   1HB   ARG  11          1HB       ARG  11  -6.822  -0.165  -0.478
   81   2HB   ARG  11          2HB       ARG  11  -5.997   0.761   0.750
   82   1HG   ARG  11          1HG       ARG  11  -8.072   2.380   0.588
   83   2HG   ARG  11          2HG       ARG  11  -8.796   1.095  -0.389
   84   1HD   ARG  11          1HD       ARG  11  -7.827  -0.327   1.789
   85   2HD   ARG  11          2HD       ARG  11  -8.222   1.222   2.538
   86    HE   ARG  11           HE       ARG  11 -10.344   0.141   0.847
   87   1HH1  ARG  11          2HH1      ARG  11 -12.146  -0.923   1.741
   88   2HH1  ARG  11          1HH1      ARG  11 -12.298  -1.127   3.455
   89   1HH2  ARG  11          2HH2      ARG  11  -9.130   0.304   4.155
   90   2HH2  ARG  11          1HH2      ARG  11 -10.425  -0.630   4.844
   91    QB   ARG  11           QB       ARG  11  -6.410   0.298   0.136
   92    QG   ARG  11           QG       ARG  11  -8.434   1.738   0.099
   93    QD   ARG  11           QD       ARG  11  -8.025   0.447   2.163
   94    QH1  ARG  11           QH1      ARG  11 -12.222  -1.025   2.598
   95    QH2  ARG  11           QH2      ARG  11  -9.777  -0.163   4.500
   96    H    CYS  12           H        CYS  12  -3.873   2.868  -2.058
   97    HA   CYS  12           HA       CYS  12  -2.952   4.448  -0.009
   98   1HB   CYS  12          2HB       CYS  12  -1.491   4.075  -1.791
   99   2HB   CYS  12          3HB       CYS  12  -2.707   4.425  -3.005
  100    QB   CYS  12           QB       CYS  12  -2.099   4.250  -2.398
   
  No H/Q in entry =         100
  Start of MODEL    4
    1   1H    GLY   1          2HN       GLY   1   6.090   7.194   4.224
    2   2H    GLY   1          3HN       GLY   1   6.070   7.336   2.579
    3   3H    GLY   1          1HN       GLY   1   5.659   8.625   3.506
    4   1HA   GLY   1          1HA       GLY   1   3.714   7.527   4.317
    5   2HA   GLY   1          2HA       GLY   1   3.741   7.651   2.548
    6    QA   GLY   1           QA       GLY   1   3.728   7.589   3.433
    7    H    CYS   2           H        CYS   2   2.151   5.682   3.929
    8    HA   CYS   2           HA       CYS   2   3.474   3.112   3.680
    9   1HB   CYS   2          1HB       CYS   2   0.879   3.988   4.514
   10   2HB   CYS   2          2HB       CYS   2   0.637   2.943   3.132
   11    QB   CYS   2           QB       CYS   2   0.758   3.466   3.823
   12    H    CYS   3           H        CYS   3   1.314   5.080   1.469
   13    HA   CYS   3           HA       CYS   3   1.463   3.250  -0.617
   14   1HB   CYS   3          1HB       CYS   3   1.342   6.226  -1.033
   15   2HB   CYS   3          2HB       CYS   3   0.557   4.955  -1.975
   16    QB   CYS   3           QB       CYS   3   0.950   5.590  -1.504
   17    H    SER   4           H        SER   4   4.007   5.335   0.465
   18    HA   SER   4           HA       SER   4   5.509   5.545  -1.969
   19   1HB   SER   4          1HB       SER   4   6.767   5.607   0.752
   20   2HB   SER   4          2HB       SER   4   7.030   6.650  -0.649
   21    HG   SER   4           HG       SER   4   4.991   7.610  -0.221
   22    QB   SER   4           QB       SER   4   6.898   6.128   0.051
   23    H    ASP   5           H        ASP   5   4.956   2.986   0.352
   24    HA   ASP   5           HA       ASP   5   7.074   1.251  -0.774
   25   1HB   ASP   5          1HB       ASP   5   7.000   1.018   1.612
   26   2HB   ASP   5          2HB       ASP   5   5.231   1.089   1.644
   27    QB   ASP   5           QB       ASP   5   6.115   1.054   1.628
   28    HA   PRO   6           HA       PRO   6   3.541   0.441  -3.421
   29   1HB   PRO   6          1HB       PRO   6   4.494  -1.704  -4.887
   30   2HB   PRO   6          2HB       PRO   6   4.910   0.005  -5.210
   31   1HG   PRO   6          1HG       PRO   6   6.495  -2.033  -3.629
   32   2HG   PRO   6          2HG       PRO   6   7.089  -0.882  -4.869
   33   1HD   PRO   6          1HD       PRO   6   7.319  -0.366  -2.222
   34   2HD   PRO   6          2HD       PRO   6   6.939   0.949  -3.364
   35    QB   PRO   6           QB       PRO   6   4.702  -0.849  -5.048
   36    QG   PRO   6           QG       PRO   6   6.792  -1.457  -4.249
   37    QD   PRO   6           QD       PRO   6   7.129   0.292  -2.793
   38    H    ARG   7           H        ARG   7   4.945  -1.845  -1.217
   39    HA   ARG   7           HA       ARG   7   2.766  -3.742  -1.405
   40   1HB   ARG   7          1HB       ARG   7   5.326  -4.052  -0.800
   41   2HB   ARG   7          2HB       ARG   7   4.712  -3.658   0.802
   42   1HG   ARG   7          1HG       ARG   7   4.550  -5.875   0.929
   43   2HG   ARG   7          2HG       ARG   7   2.961  -5.585   0.225
   44   1HD   ARG   7          1HD       ARG   7   5.510  -6.507  -1.180
   45   2HD   ARG   7          2HD       ARG   7   4.068  -7.480  -0.862
   46    HE   ARG   7           HE       ARG   7   3.095  -5.431  -2.387
   47   1HH1  ARG   7          2HH1      ARG   7   3.038  -5.268  -4.653
   48   2HH1  ARG   7          1HH1      ARG   7   3.956  -6.333  -5.650
   49   1HH2  ARG   7          2HH2      ARG   7   5.689  -7.879  -2.947
   50   2HH2  ARG   7          1HH2      ARG   7   5.578  -7.737  -4.652
   51    QB   ARG   7           QB       ARG   7   5.019  -3.855   0.001
   52    QG   ARG   7           QG       ARG   7   3.756  -5.730   0.577
   53    QD   ARG   7           QD       ARG   7   4.789  -6.994  -1.021
   54    QH1  ARG   7           QH1      ARG   7   3.497  -5.801  -5.151
   55    QH2  ARG   7           QH2      ARG   7   5.634  -7.808  -3.799
   56    H    CYS   8           H        CYS   8   3.027  -0.738  -0.017
   57    HA   CYS   8           HA       CYS   8   0.585  -1.198   1.555
   58   1HB   CYS   8          1HB       CYS   8   2.811  -0.638   2.849
   59   2HB   CYS   8          2HB       CYS   8   2.437   0.995   2.349
   60    QB   CYS   8           QB       CYS   8   2.624   0.179   2.599
   61    H    ALA   9           H        ALA   9   0.879  -0.529  -1.244
   62    HA   ALA   9           HA       ALA   9  -0.286   2.213  -1.352
   63   1HB   ALA   9          3HB       ALA   9   1.743   1.827  -2.731
   64   2HB   ALA   9          1HB       ALA   9   0.873   0.536  -3.596
   65   3HB   ALA   9          2HB       ALA   9   0.311   2.219  -3.704
   66    QB   ALA   9           QB       ALA   9   0.976   1.527  -3.343
   67    H    TRP  10           H        TRP  10  -1.403  -0.940  -1.058
   68    HA   TRP  10           HA       TRP  10  -3.522  -1.189  -2.768
   69   1HB   TRP  10          1HB       TRP  10  -4.380  -2.550  -1.037
   70   2HB   TRP  10          2HB       TRP  10  -2.666  -2.780  -1.058
   71    HD1  TRP  10           HD       TRP  10  -1.362  -2.191   1.135
   72    HE1  TRP  10          1HE       TRP  10  -2.026  -1.455   3.519
   73    HE3  TRP  10          3HE       TRP  10  -6.246  -1.182   0.279
   74    HZ2  TRP  10          2HZ       TRP  10  -4.402  -0.439   4.841
   75    HZ3  TRP  10          3HZ       TRP  10  -7.712  -0.301   2.079
   76    HH2  TRP  10           HH       TRP  10  -6.786   0.083   4.373
   77    QB   TRP  10           QB       TRP  10  -3.523  -2.665  -1.048
   78    H    ARG  11           H        ARG  11  -5.615  -0.501  -2.750
   79    HA   ARG  11           HA       ARG  11  -7.065   1.120  -3.158
   80   1HB   ARG  11          1HB       ARG  11  -7.706   0.420  -0.889
   81   2HB   ARG  11          2HB       ARG  11  -6.708   1.686  -0.187
   82   1HG   ARG  11          1HG       ARG  11  -8.138   3.404  -1.113
   83   2HG   ARG  11          2HG       ARG  11  -9.085   2.207  -2.021
   84   1HD   ARG  11          1HD       ARG  11  -8.805   2.262   1.008
   85   2HD   ARG  11          2HD       ARG  11 -10.083   3.118   0.172
   86    HE   ARG  11           HE       ARG  11  -9.877   0.255   0.667
   87   1HH1  ARG  11          2HH1      ARG  11 -11.672  -0.970   0.321
   88   2HH1  ARG  11          1HH1      ARG  11 -12.985  -0.447  -0.696
   89   1HH2  ARG  11          2HH2      ARG  11 -11.414   2.686  -1.421
   90   2HH2  ARG  11          1HH2      ARG  11 -12.821   1.755  -1.748
   91    QB   ARG  11           QB       ARG  11  -7.207   1.053  -0.538
   92    QG   ARG  11           QG       ARG  11  -8.612   2.806  -1.567
   93    QD   ARG  11           QD       ARG  11  -9.444   2.690   0.590
   94    QH1  ARG  11           QH1      ARG  11 -12.328  -0.709  -0.188
   95    QH2  ARG  11           QH2      ARG  11 -12.118   2.221  -1.584
   96    H    CYS  12           H        CYS  12  -3.950   2.249  -2.309
   97    HA   CYS  12           HA       CYS  12  -4.624   5.088  -2.318
   98   1HB   CYS  12          2HB       CYS  12  -3.005   3.854  -0.757
   99   2HB   CYS  12          3HB       CYS  12  -1.919   3.742  -2.142
  100    QB   CYS  12           QB       CYS  12  -2.462   3.798  -1.449
   
  No H/Q in entry =         100
  Start of MODEL    5
    1   1H    GLY   1          3HN       GLY   1   5.469   7.392   3.263
    2   2H    GLY   1          1HN       GLY   1   4.268   8.089   2.404
    3   3H    GLY   1          2HN       GLY   1   4.752   8.751   3.841
    4   1HA   GLY   1          1HA       GLY   1   4.009   6.820   5.038
    5   2HA   GLY   1          2HA       GLY   1   2.671   7.561   4.123
    6    QA   GLY   1           QA       GLY   1   3.340   7.190   4.581
    7    H    CYS   2           H        CYS   2   2.323   5.025   4.803
    8    HA   CYS   2           HA       CYS   2   3.306   2.863   3.504
    9   1HB   CYS   2          1HB       CYS   2   1.125   3.449   5.098
   10   2HB   CYS   2          2HB       CYS   2   0.329   2.896   3.638
   11    QB   CYS   2           QB       CYS   2   0.727   3.173   4.368
   12    H    CYS   3           H        CYS   3   0.687   4.933   2.170
   13    HA   CYS   3           HA       CYS   3   0.068   3.961  -0.239
   14   1HB   CYS   3          1HB       CYS   3   0.982   6.807   0.359
   15   2HB   CYS   3          2HB       CYS   3   0.138   6.337  -1.106
   16    QB   CYS   3           QB       CYS   3   0.560   6.572  -0.373
   17    H    SER   4           H        SER   4   3.350   5.162   0.414
   18    HA   SER   4           HA       SER   4   3.974   5.435  -2.450
   19   1HB   SER   4          1HB       SER   4   4.407   7.264  -0.898
   20   2HB   SER   4          2HB       SER   4   5.338   6.193   0.150
   21    HG   SER   4           HG       SER   4   6.960   6.186  -1.198
   22    QB   SER   4           QB       SER   4   4.872   6.729  -0.374
   23    H    ASP   5           H        ASP   5   4.025   2.786  -0.325
   24    HA   ASP   5           HA       ASP   5   6.732   1.871  -1.228
   25   1HB   ASP   5          1HB       ASP   5   6.514   2.189   1.186
   26   2HB   ASP   5          2HB       ASP   5   5.054   1.176   1.204
   27    QB   ASP   5           QB       ASP   5   5.784   1.683   1.195
   28    HA   PRO   6           HA       PRO   6   4.482  -1.052  -3.607
   29   1HB   PRO   6          1HB       PRO   6   6.324  -3.041  -4.142
   30   2HB   PRO   6          2HB       PRO   6   6.374  -1.402  -4.856
   31   1HG   PRO   6          1HG       PRO   6   7.829  -2.382  -2.373
   32   2HG   PRO   6          2HG       PRO   6   8.526  -1.558  -3.804
   33   1HD   PRO   6          1HD       PRO   6   7.892  -0.141  -1.611
   34   2HD   PRO   6          2HD       PRO   6   7.462   0.513  -3.215
   35    QB   PRO   6           QB       PRO   6   6.349  -2.222  -4.499
   36    QG   PRO   6           QG       PRO   6   8.177  -1.970  -3.089
   37    QD   PRO   6           QD       PRO   6   7.677   0.186  -2.413
   38    H    ARG   7           H        ARG   7   5.242  -1.924  -0.346
   39    HA   ARG   7           HA       ARG   7   3.555  -4.343  -0.572
   40   1HB   ARG   7          1HB       ARG   7   5.781  -3.553   1.116
   41   2HB   ARG   7          2HB       ARG   7   4.344  -3.594   2.113
   42   1HG   ARG   7          1HG       ARG   7   5.203  -5.709   2.302
   43   2HG   ARG   7          2HG       ARG   7   3.885  -5.890   1.132
   44   1HD   ARG   7          1HD       ARG   7   6.877  -5.738   0.529
   45   2HD   ARG   7          2HD       ARG   7   5.894  -7.201   0.501
   46    HE   ARG   7           HE       ARG   7   5.482  -4.849  -1.290
   47   1HH1  ARG   7          2HH1      ARG   7   4.686  -5.219  -3.335
   48   2HH1  ARG   7          1HH1      ARG   7   4.617  -6.793  -4.032
   49   1HH2  ARG   7          2HH2      ARG   7   5.575  -8.406  -0.974
   50   2HH2  ARG   7          1HH2      ARG   7   5.017  -8.702  -2.557
   51    QB   ARG   7           QB       ARG   7   5.063  -3.573   1.614
   52    QG   ARG   7           QG       ARG   7   4.544  -5.800   1.717
   53    QD   ARG   7           QD       ARG   7   6.385  -6.470   0.515
   54    QH1  ARG   7           QH1      ARG   7   4.652  -6.006  -3.683
   55    QH2  ARG   7           QH2      ARG   7   5.296  -8.554  -1.765
   56    H    CYS   8           H        CYS   8   3.139  -1.062  -0.293
   57    HA   CYS   8           HA       CYS   8   0.541  -1.434   0.984
   58   1HB   CYS   8          1HB       CYS   8   2.588  -0.889   2.569
   59   2HB   CYS   8          2HB       CYS   8   2.342   0.735   2.017
   60    QB   CYS   8           QB       CYS   8   2.465  -0.077   2.293
   61    H    ALA   9           H        ALA   9   1.436  -0.679  -1.680
   62    HA   ALA   9           HA       ALA   9   0.646   2.101  -2.140
   63   1HB   ALA   9          3HB       ALA   9   2.169   0.909  -3.690
   64   2HB   ALA   9          1HB       ALA   9   0.877  -0.255  -4.074
   65   3HB   ALA   9          2HB       ALA   9   0.699   1.453  -4.523
   66    QB   ALA   9           QB       ALA   9   1.248   0.703  -4.096
   67    H    TRP  10           H        TRP  10  -1.194  -0.794  -1.465
   68    HA   TRP  10           HA       TRP  10  -3.445  -0.410  -2.913
   69   1HB   TRP  10          1HB       TRP  10  -4.426  -1.803  -1.368
   70   2HB   TRP  10          2HB       TRP  10  -2.757  -2.244  -1.311
   71    HD1  TRP  10           HD       TRP  10  -1.439  -0.727   0.849
   72    HE1  TRP  10          1HE       TRP  10  -2.129  -0.785   3.294
   73    HE3  TRP  10          3HE       TRP  10  -6.350  -1.951   0.220
   74    HZ2  TRP  10          2HZ       TRP  10  -4.508  -1.468   4.821
   75    HZ3  TRP  10          3HZ       TRP  10  -7.817  -2.254   2.169
   76    HH2  TRP  10           HH       TRP  10  -6.895  -2.072   4.494
   77    QB   TRP  10           QB       TRP  10  -3.592  -2.024  -1.339
   78    H    ARG  11           H        ARG  11  -5.303   0.682  -2.664
   79    HA   ARG  11           HA       ARG  11  -6.810   2.225  -2.105
   80   1HB   ARG  11          1HB       ARG  11  -6.419   1.125   0.172
   81   2HB   ARG  11          2HB       ARG  11  -5.532   2.575   0.636
   82   1HG   ARG  11          1HG       ARG  11  -8.268   2.929  -0.576
   83   2HG   ARG  11          2HG       ARG  11  -8.198   2.191   1.018
   84   1HD   ARG  11          1HD       ARG  11  -7.278   4.082   2.048
   85   2HD   ARG  11          2HD       ARG  11  -6.703   4.766   0.530
   86    HE   ARG  11           HE       ARG  11  -9.608   4.409   0.717
   87   1HH1  ARG  11          2HH1      ARG  11 -10.910   6.257   0.365
   88   2HH1  ARG  11          1HH1      ARG  11 -10.221   7.834   0.504
   89   1HH2  ARG  11          2HH2      ARG  11  -6.960   6.724   1.265
   90   2HH2  ARG  11          1HH2      ARG  11  -7.881   8.106   0.763
   91    QB   ARG  11           QB       ARG  11  -5.976   1.850   0.404
   92    QG   ARG  11           QG       ARG  11  -8.233   2.560   0.221
   93    QD   ARG  11           QD       ARG  11  -6.991   4.424   1.289
   94    QH1  ARG  11           QH1      ARG  11 -10.566   7.045   0.435
   95    QH2  ARG  11           QH2      ARG  11  -7.421   7.415   1.014
   96    H    CYS  12           H        CYS  12  -3.528   3.114  -2.391
   97    HA   CYS  12           HA       CYS  12  -4.440   5.823  -3.128
   98   1HB   CYS  12          2HB       CYS  12  -1.673   5.850  -2.315
   99   2HB   CYS  12          3HB       CYS  12  -2.989   6.894  -1.838
  100    QB   CYS  12           QB       CYS  12  -2.331   6.372  -2.076
   
  No H/Q in entry =         100
  Start of MODEL    6
    1   1H    GLY   1          2HN       GLY   1   4.483   8.069   1.507
    2   2H    GLY   1          3HN       GLY   1   4.710   9.327   2.547
    3   3H    GLY   1          1HN       GLY   1   5.752   8.036   2.557
    4   1HA   GLY   1          1HA       GLY   1   4.316   7.848   4.418
    5   2HA   GLY   1          2HA       GLY   1   2.923   8.077   3.339
    6    QA   GLY   1           QA       GLY   1   3.619   7.963   3.879
    7    H    CYS   2           H        CYS   2   2.195   5.932   4.327
    8    HA   CYS   2           HA       CYS   2   3.658   3.559   3.745
    9   1HB   CYS   2          1HB       CYS   2   1.514   3.901   5.227
   10   2HB   CYS   2          2HB       CYS   2   0.654   3.485   3.738
   11    QB   CYS   2           QB       CYS   2   1.084   3.693   4.483
   12    H    CYS   3           H        CYS   3   1.088   5.272   1.788
   13    HA   CYS   3           HA       CYS   3   0.912   3.457  -0.269
   14   1HB   CYS   3          1HB       CYS   3   0.933   6.455  -0.631
   15   2HB   CYS   3          2HB       CYS   3   0.160   5.275  -1.663
   16    QB   CYS   3           QB       CYS   3   0.547   5.865  -1.147
   17    H    SER   4           H        SER   4   3.642   5.687   0.244
   18    HA   SER   4           HA       SER   4   4.838   5.420  -2.330
   19   1HB   SER   4          1HB       SER   4   6.172   5.889   0.370
   20   2HB   SER   4          2HB       SER   4   6.835   6.277  -1.221
   21    HG   SER   4           HG       SER   4   5.234   7.782  -1.521
   22    QB   SER   4           QB       SER   4   6.504   6.083  -0.425
   23    H    ASP   5           H        ASP   5   4.706   3.197   0.435
   24    HA   ASP   5           HA       ASP   5   6.976   1.548  -0.386
   25   1HB   ASP   5          1HB       ASP   5   6.479   1.501   1.965
   26   2HB   ASP   5          2HB       ASP   5   4.763   1.182   1.665
   27    QB   ASP   5           QB       ASP   5   5.621   1.341   1.815
   28    HA   PRO   6           HA       PRO   6   4.389  -0.254  -3.500
   29   1HB   PRO   6          1HB       PRO   6   5.879  -2.474  -4.193
   30   2HB   PRO   6          2HB       PRO   6   6.278  -0.796  -4.684
   31   1HG   PRO   6          1HG       PRO   6   7.336  -2.374  -2.302
   32   2HG   PRO   6          2HG       PRO   6   8.294  -1.483  -3.527
   33   1HD   PRO   6          1HD       PRO   6   7.725  -0.315  -1.195
   34   2HD   PRO   6          2HD       PRO   6   7.536   0.632  -2.693
   35    QB   PRO   6           QB       PRO   6   6.079  -1.635  -4.439
   36    QG   PRO   6           QG       PRO   6   7.815  -1.928  -2.914
   37    QD   PRO   6           QD       PRO   6   7.631   0.158  -1.944
   38    H    ARG   7           H        ARG   7   4.875  -1.852  -0.457
   39    HA   ARG   7           HA       ARG   7   3.081  -4.058  -1.196
   40   1HB   ARG   7          1HB       ARG   7   5.232  -3.580   0.715
   41   2HB   ARG   7          2HB       ARG   7   3.787  -3.990   1.561
   42   1HG   ARG   7          1HG       ARG   7   4.954  -6.027   1.192
   43   2HG   ARG   7          2HG       ARG   7   3.609  -6.055   0.043
   44   1HD   ARG   7          1HD       ARG   7   5.641  -6.815  -1.047
   45   2HD   ARG   7          2HD       ARG   7   5.169  -5.264  -1.760
   46    HE   ARG   7           HE       ARG   7   6.884  -4.407   0.117
   47   1HH1  ARG   7          2HH1      ARG   7   9.070  -4.113  -0.042
   48   2HH1  ARG   7          1HH1      ARG   7  10.107  -5.394  -0.557
   49   1HH2  ARG   7          2HH2      ARG   7   7.379  -7.261  -1.974
   50   2HH2  ARG   7          1HH2      ARG   7   9.098  -7.232  -1.772
   51    QB   ARG   7           QB       ARG   7   4.509  -3.785   1.138
   52    QG   ARG   7           QG       ARG   7   4.282  -6.041   0.618
   53    QD   ARG   7           QD       ARG   7   5.405  -6.040  -1.403
   54    QH1  ARG   7           QH1      ARG   7   9.589  -4.754  -0.300
   55    QH2  ARG   7           QH2      ARG   7   8.238  -7.247  -1.873
   56    H    CYS   8           H        CYS   8   2.945  -0.910  -0.139
   57    HA   CYS   8           HA       CYS   8   0.295  -1.244   1.167
   58   1HB   CYS   8          1HB       CYS   8   2.565  -0.320   2.330
   59   2HB   CYS   8          2HB       CYS   8   2.021   1.145   1.566
   60    QB   CYS   8           QB       CYS   8   2.293   0.412   1.948
   61    H    ALA   9           H        ALA   9   1.063  -0.884  -1.621
   62    HA   ALA   9           HA       ALA   9   0.357   1.844  -2.443
   63   1HB   ALA   9          1HB       ALA   9   2.036   0.536  -3.713
   64   2HB   ALA   9          2HB       ALA   9   0.808  -0.701  -4.075
   65   3HB   ALA   9          3HB       ALA   9   0.643   0.934  -4.734
   66    QB   ALA   9           QB       ALA   9   1.163   0.257  -4.174
   67    H    TRP  10           H        TRP  10  -1.441  -1.247  -1.950
   68    HA   TRP  10           HA       TRP  10  -3.754  -0.548  -3.369
   69   1HB   TRP  10          1HB       TRP  10  -4.655  -2.295  -2.218
   70   2HB   TRP  10          2HB       TRP  10  -3.002  -2.756  -2.310
   71    HD1  TRP  10           HD       TRP  10  -1.625  -2.756   0.084
   72    HE1  TRP  10          1HE       TRP  10  -2.443  -3.114   2.462
   73    HE3  TRP  10          3HE       TRP  10  -6.590  -1.693  -0.601
   74    HZ2  TRP  10          2HZ       TRP  10  -4.904  -2.857   3.936
   75    HZ3  TRP  10          3HZ       TRP  10  -8.134  -1.713   1.327
   76    HH2  TRP  10           HH       TRP  10  -7.309  -2.313   3.597
   77    QB   TRP  10           QB       TRP  10  -3.828  -2.526  -2.264
   78    H    ARG  11           H        ARG  11  -5.770   0.265  -2.416
   79    HA   ARG  11           HA       ARG  11  -7.008   1.785  -1.366
   80   1HB   ARG  11          1HB       ARG  11  -6.524   0.761   0.698
   81   2HB   ARG  11          2HB       ARG  11  -5.022   1.627   0.918
   82   1HG   ARG  11          1HG       ARG  11  -7.550   3.227   0.588
   83   2HG   ARG  11          2HG       ARG  11  -7.282   2.371   2.091
   84   1HD   ARG  11          1HD       ARG  11  -4.963   3.986   1.056
   85   2HD   ARG  11          2HD       ARG  11  -6.338   4.872   1.692
   86    HE   ARG  11           HE       ARG  11  -4.483   3.141   3.164
   87   1HH1  ARG  11          2HH1      ARG  11  -4.703   2.952   5.386
   88   2HH1  ARG  11          1HH1      ARG  11  -6.009   3.689   6.264
   89   1HH2  ARG  11          2HH2      ARG  11  -7.566   4.867   3.263
   90   2HH2  ARG  11          1HH2      ARG  11  -7.746   4.805   4.985
   91    QB   ARG  11           QB       ARG  11  -5.773   1.194   0.808
   92    QG   ARG  11           QG       ARG  11  -7.416   2.799   1.339
   93    QD   ARG  11           QD       ARG  11  -5.650   4.429   1.374
   94    QH1  ARG  11           QH1      ARG  11  -5.356   3.320   5.825
   95    QH2  ARG  11           QH2      ARG  11  -7.656   4.836   4.124
   96    H    CYS  12           H        CYS  12  -3.891   2.487  -2.563
   97    HA   CYS  12           HA       CYS  12  -4.719   5.269  -3.007
   98   1HB   CYS  12          2HB       CYS  12  -1.861   5.090  -2.733
   99   2HB   CYS  12          3HB       CYS  12  -2.993   6.162  -1.937
  100    QB   CYS  12           QB       CYS  12  -2.427   5.626  -2.335
   
  No H/Q in entry =         100
  Start of MODEL    7
    1   1H    GLY   1          1HN       GLY   1   4.623   7.251   1.294
    2   2H    GLY   1          2HN       GLY   1   4.980   8.415   2.397
    3   3H    GLY   1          3HN       GLY   1   5.867   7.040   2.349
    4   1HA   GLY   1          1HA       GLY   1   4.454   6.892   4.213
    5   2HA   GLY   1          2HA       GLY   1   3.078   7.350   3.201
    6    QA   GLY   1           QA       GLY   1   3.766   7.121   3.707
    7    H    CYS   2           H        CYS   2   1.997   5.413   3.900
    8    HA   CYS   2           HA       CYS   2   2.732   2.769   3.015
    9   1HB   CYS   2          1HB       CYS   2   0.469   4.028   4.219
   10   2HB   CYS   2          2HB       CYS   2  -0.106   3.273   2.735
   11    QB   CYS   2           QB       CYS   2   0.181   3.650   3.477
   12    H    CYS   3           H        CYS   3   0.991   5.526   1.514
   13    HA   CYS   3           HA       CYS   3   0.665   4.664  -1.101
   14   1HB   CYS   3          1HB       CYS   3   1.408   7.364   0.080
   15   2HB   CYS   3          2HB       CYS   3   0.914   7.156  -1.586
   16    QB   CYS   3           QB       CYS   3   1.161   7.260  -0.753
   17    H    SER   4           H        SER   4   3.690   4.567   0.255
   18    HA   SER   4           HA       SER   4   5.104   4.981  -2.308
   19   1HB   SER   4          1HB       SER   4   6.199   5.755   0.413
   20   2HB   SER   4          2HB       SER   4   6.925   6.081  -1.168
   21    HG   SER   4           HG       SER   4   5.347   7.519  -1.596
   22    QB   SER   4           QB       SER   4   6.562   5.918  -0.378
   23    H    ASP   5           H        ASP   5   4.250   2.900   0.247
   24    HA   ASP   5           HA       ASP   5   6.703   1.266   0.252
   25   1HB   ASP   5          1HB       ASP   5   5.629   1.332   2.403
   26   2HB   ASP   5          2HB       ASP   5   4.026   1.162   1.694
   27    QB   ASP   5           QB       ASP   5   4.827   1.247   2.048
   28    HA   PRO   6           HA       PRO   6   4.646  -0.436  -3.352
   29   1HB   PRO   6          1HB       PRO   6   6.297  -2.542  -3.975
   30   2HB   PRO   6          2HB       PRO   6   6.690  -0.829  -4.283
   31   1HG   PRO   6          1HG       PRO   6   7.534  -2.507  -1.899
   32   2HG   PRO   6          2HG       PRO   6   8.564  -1.490  -2.961
   33   1HD   PRO   6          1HD       PRO   6   7.634  -0.557  -0.599
   34   2HD   PRO   6          2HD       PRO   6   7.701   0.514  -2.025
   35    QB   PRO   6           QB       PRO   6   6.494  -1.686  -4.129
   36    QG   PRO   6           QG       PRO   6   8.049  -1.999  -2.430
   37    QD   PRO   6           QD       PRO   6   7.667  -0.021  -1.312
   38    H    ARG   7           H        ARG   7   4.854  -1.988  -0.264
   39    HA   ARG   7           HA       ARG   7   3.001  -4.134  -1.042
   40   1HB   ARG   7          1HB       ARG   7   4.967  -3.682   1.061
   41   2HB   ARG   7          2HB       ARG   7   3.411  -3.850   1.795
   42   1HG   ARG   7          1HG       ARG   7   4.317  -6.035   1.736
   43   2HG   ARG   7          2HG       ARG   7   3.108  -6.015   0.450
   44   1HD   ARG   7          1HD       ARG   7   5.077  -7.161  -0.324
   45   2HD   ARG   7          2HD       ARG   7   4.909  -5.648  -1.226
   46    HE   ARG   7           HE       ARG   7   6.546  -4.865   0.769
   47   1HH1  ARG   7          2HH1      ARG   7   8.724  -4.969   0.940
   48   2HH1  ARG   7          1HH1      ARG   7   9.646  -6.273   0.216
   49   1HH2  ARG   7          2HH2      ARG   7   6.849  -7.688  -1.424
   50   2HH2  ARG   7          1HH2      ARG   7   8.587  -7.571  -1.419
   51    QB   ARG   7           QB       ARG   7   4.189  -3.766   1.428
   52    QG   ARG   7           QG       ARG   7   3.712  -6.025   1.093
   53    QD   ARG   7           QD       ARG   7   4.993  -6.405  -0.775
   54    QH1  ARG   7           QH1      ARG   7   9.185  -5.621   0.578
   55    QH2  ARG   7           QH2      ARG   7   7.718  -7.629  -1.422
   56    H    CYS   8           H        CYS   8   2.751  -0.905  -0.320
   57    HA   CYS   8           HA       CYS   8  -0.032  -1.118   0.618
   58   1HB   CYS   8          1HB       CYS   8   1.878  -0.644   2.409
   59   2HB   CYS   8          2HB       CYS   8   1.763   0.982   1.775
   60    QB   CYS   8           QB       CYS   8   1.820   0.169   2.092
   61    H    ALA   9           H        ALA   9   1.285  -0.474  -1.898
   62    HA   ALA   9           HA       ALA   9   0.541   2.267  -2.573
   63   1HB   ALA   9          2HB       ALA   9   0.849  -0.215  -4.319
   64   2HB   ALA   9          3HB       ALA   9   0.607   1.436  -4.916
   65   3HB   ALA   9          1HB       ALA   9   2.087   1.033  -4.015
   66    QB   ALA   9           QB       ALA   9   1.181   0.751  -4.416
   67    H    TRP  10           H        TRP  10  -1.182  -0.979  -2.573
   68    HA   TRP  10           HA       TRP  10  -3.648   0.029  -3.487
   69   1HB   TRP  10          1HB       TRP  10  -4.384  -2.067  -2.832
   70   2HB   TRP  10          2HB       TRP  10  -2.767  -2.379  -3.354
   71    HD1  TRP  10           HD       TRP  10  -0.966  -3.011  -1.382
   72    HE1  TRP  10          1HE       TRP  10  -1.239  -3.934   0.950
   73    HE3  TRP  10          3HE       TRP  10  -5.999  -2.237  -0.820
   74    HZ2  TRP  10          2HZ       TRP  10  -3.414  -4.299   2.887
   75    HZ3  TRP  10          3HZ       TRP  10  -7.127  -2.864   1.298
   76    HH2  TRP  10           HH       TRP  10  -5.841  -3.897   3.153
   77    QB   TRP  10           QB       TRP  10  -3.575  -2.223  -3.093
   78    H    ARG  11           H        ARG  11  -5.342   0.630  -2.239
   79    HA   ARG  11           HA       ARG  11  -6.613   1.436  -0.540
   80   1HB   ARG  11          1HB       ARG  11  -5.353  -0.325   0.944
   81   2HB   ARG  11          2HB       ARG  11  -4.445   1.070   1.526
   82   1HG   ARG  11          1HG       ARG  11  -6.546   2.108   2.318
   83   2HG   ARG  11          2HG       ARG  11  -7.474   0.777   1.604
   84   1HD   ARG  11          1HD       ARG  11  -7.254   0.382   3.970
   85   2HD   ARG  11          2HD       ARG  11  -6.301  -0.831   3.119
   86    HE   ARG  11           HE       ARG  11  -5.379   1.475   4.728
   87   1HH1  ARG  11          2HH1      ARG  11  -3.315   1.255   5.738
   88   2HH1  ARG  11          1HH1      ARG  11  -2.150   0.147   5.110
   89   1HH2  ARG  11          2HH2      ARG  11  -4.320  -1.288   2.700
   90   2HH2  ARG  11          1HH2      ARG  11  -2.803  -1.439   3.506
   91    QB   ARG  11           QB       ARG  11  -4.899   0.373   1.235
   92    QG   ARG  11           QG       ARG  11  -7.010   1.442   1.961
   93    QD   ARG  11           QD       ARG  11  -6.778  -0.224   3.545
   94    QH1  ARG  11           QH1      ARG  11  -2.733   0.701   5.424
   95    QH2  ARG  11           QH2      ARG  11  -3.562  -1.364   3.103
   96    H    CYS  12           H        CYS  12  -3.459   2.566  -1.291
   97    HA   CYS  12           HA       CYS  12  -3.527   5.119  -0.003
   98   1HB   CYS  12          2HB       CYS  12  -1.562   4.227  -1.316
   99   2HB   CYS  12          3HB       CYS  12  -2.530   4.450  -2.788
  100    QB   CYS  12           QB       CYS  12  -2.046   4.339  -2.052
   
  No H/Q in entry =         100
  Start of MODEL    8
    1   1H    GLY   1          3HN       GLY   1   4.471   7.633   1.862
    2   2H    GLY   1          1HN       GLY   1   5.127   8.506   3.097
    3   3H    GLY   1          2HN       GLY   1   5.874   7.125   2.564
    4   1HA   GLY   1          1HA       GLY   1   4.773   6.698   4.623
    5   2HA   GLY   1          2HA       GLY   1   3.271   7.287   3.877
    6    QA   GLY   1           QA       GLY   1   4.022   6.993   4.250
    7    H    CYS   2           H        CYS   2   2.338   5.191   4.399
    8    HA   CYS   2           HA       CYS   2   3.139   2.726   3.367
    9   1HB   CYS   2          1HB       CYS   2   0.860   3.819   4.684
   10   2HB   CYS   2          2HB       CYS   2   0.249   3.029   3.244
   11    QB   CYS   2           QB       CYS   2   0.555   3.424   3.964
   12    H    CYS   3           H        CYS   3   0.939   5.168   1.822
   13    HA   CYS   3           HA       CYS   3   0.494   3.851  -0.536
   14   1HB   CYS   3          1HB       CYS   3   0.977   6.832  -0.261
   15   2HB   CYS   3          2HB       CYS   3   0.063   6.032  -1.535
   16    QB   CYS   3           QB       CYS   3   0.520   6.432  -0.898
   17    H    SER   4           H        SER   4   3.561   5.388   0.335
   18    HA   SER   4           HA       SER   4   4.610   5.476  -2.375
   19   1HB   SER   4          1HB       SER   4   6.249   5.524   0.171
   20   2HB   SER   4          2HB       SER   4   6.558   6.334  -1.372
   21    HG   SER   4           HG       SER   4   5.712   7.981  -0.368
   22    QB   SER   4           QB       SER   4   6.404   5.929  -0.601
   23    H    ASP   5           H        ASP   5   4.473   3.100   0.262
   24    HA   ASP   5           HA       ASP   5   6.849   1.598  -0.570
   25   1HB   ASP   5          1HB       ASP   5   6.290   1.721   1.811
   26   2HB   ASP   5          2HB       ASP   5   4.664   1.102   1.506
   27    QB   ASP   5           QB       ASP   5   5.477   1.411   1.658
   28    HA   PRO   6           HA       PRO   6   4.299  -0.456  -3.463
   29   1HB   PRO   6          1HB       PRO   6   5.771  -2.638  -4.265
   30   2HB   PRO   6          2HB       PRO   6   6.185  -0.953  -4.704
   31   1HG   PRO   6          1HG       PRO   6   7.259  -2.597  -2.397
   32   2HG   PRO   6          2HG       PRO   6   8.198  -1.652  -3.602
   33   1HD   PRO   6          1HD       PRO   6   7.601  -0.665  -1.156
   34   2HD   PRO   6          2HD       PRO   6   7.557   0.406  -2.586
   35    QB   PRO   6           QB       PRO   6   5.978  -1.796  -4.485
   36    QG   PRO   6           QG       PRO   6   7.728  -2.124  -3.000
   37    QD   PRO   6           QD       PRO   6   7.579  -0.130  -1.871
   38    H    ARG   7           H        ARG   7   4.955  -2.021  -0.448
   39    HA   ARG   7           HA       ARG   7   2.967  -4.127  -0.990
   40   1HB   ARG   7          1HB       ARG   7   5.367  -3.932   0.611
   41   2HB   ARG   7          2HB       ARG   7   4.016  -4.067   1.715
   42   1HG   ARG   7          1HG       ARG   7   3.238  -6.103   0.390
   43   2HG   ARG   7          2HG       ARG   7   4.662  -5.901  -0.640
   44   1HD   ARG   7          1HD       ARG   7   5.280  -7.574   0.891
   45   2HD   ARG   7          2HD       ARG   7   6.080  -6.117   1.491
   46    HE   ARG   7           HE       ARG   7   3.513  -6.338   2.707
   47   1HH1  ARG   7          2HH1      ARG   7   3.087  -7.525   4.609
   48   2HH1  ARG   7          1HH1      ARG   7   4.318  -8.395   5.443
   49   1HH2  ARG   7          2HH2      ARG   7   6.772  -7.814   2.887
   50   2HH2  ARG   7          1HH2      ARG   7   6.472  -8.595   4.390
   51    QB   ARG   7           QB       ARG   7   4.691  -4.000   1.163
   52    QG   ARG   7           QG       ARG   7   3.950  -6.002  -0.125
   53    QD   ARG   7           QD       ARG   7   5.680  -6.845   1.191
   54    QH1  ARG   7           QH1      ARG   7   3.703  -7.960   5.026
   55    QH2  ARG   7           QH2      ARG   7   6.622  -8.204   3.639
   56    H    CYS   8           H        CYS   8   2.968  -0.926  -0.134
   57    HA   CYS   8           HA       CYS   8   0.322  -1.218   1.073
   58   1HB   CYS   8          1HB       CYS   8   2.345  -0.789   2.712
   59   2HB   CYS   8          2HB       CYS   8   2.174   0.860   2.178
   60    QB   CYS   8           QB       CYS   8   2.260   0.035   2.445
   61    H    ALA   9           H        ALA   9   1.397  -0.455  -1.524
   62    HA   ALA   9           HA       ALA   9   0.304   2.283  -1.936
   63   1HB   ALA   9          3HB       ALA   9   2.336   1.651  -3.175
   64   2HB   ALA   9          1HB       ALA   9   1.417   0.334  -3.972
   65   3HB   ALA   9          2HB       ALA   9   0.979   2.034  -4.252
   66    QB   ALA   9           QB       ALA   9   1.578   1.340  -3.800
   67    H    TRP  10           H        TRP  10  -1.048  -0.852  -1.642
   68    HA   TRP  10           HA       TRP  10  -3.284  -0.571  -3.314
   69   1HB   TRP  10          1HB       TRP  10  -4.173  -2.133  -1.902
   70   2HB   TRP  10          2HB       TRP  10  -2.497  -2.480  -1.704
   71    HD1  TRP  10           HD       TRP  10  -2.026  -0.084   0.574
   72    HE1  TRP  10          1HE       TRP  10  -3.049  -0.307   2.897
   73    HE3  TRP  10          3HE       TRP  10  -5.533  -3.684  -0.427
   74    HZ2  TRP  10          2HZ       TRP  10  -5.126  -1.836   4.176
   75    HZ3  TRP  10          3HZ       TRP  10  -7.037  -4.487   1.384
   76    HH2  TRP  10           HH       TRP  10  -6.865  -3.546   3.669
   77    QB   TRP  10           QB       TRP  10  -3.335  -2.307  -1.803
   78    H    ARG  11           H        ARG  11  -5.440   0.249  -2.454
   79    HA   ARG  11           HA       ARG  11  -6.832   1.606  -1.378
   80   1HB   ARG  11          1HB       ARG  11  -5.912   0.234   0.441
   81   2HB   ARG  11          2HB       ARG  11  -4.726   1.476   0.802
   82   1HG   ARG  11          1HG       ARG  11  -6.490   3.028   1.481
   83   2HG   ARG  11          2HG       ARG  11  -7.731   1.823   1.082
   84   1HD   ARG  11          1HD       ARG  11  -6.909   0.333   2.800
   85   2HD   ARG  11          2HD       ARG  11  -5.433   1.289   2.987
   86    HE   ARG  11           HE       ARG  11  -7.937   2.712   3.508
   87   1HH1  ARG  11          2HH1      ARG  11  -8.393   3.362   5.703
   88   2HH1  ARG  11          1HH1      ARG  11  -7.255   2.995   6.956
   89   1HH2  ARG  11          2HH2      ARG  11  -5.026   1.191   4.894
   90   2HH2  ARG  11          1HH2      ARG  11  -5.435   1.533   6.537
   91    QB   ARG  11           QB       ARG  11  -5.319   0.855   0.621
   92    QG   ARG  11           QG       ARG  11  -7.110   2.425   1.281
   93    QD   ARG  11           QD       ARG  11  -6.171   0.811   2.894
   94    QH1  ARG  11           QH1      ARG  11  -7.824   3.179   6.330
   95    QH2  ARG  11           QH2      ARG  11  -5.230   1.362   5.716
   96    H    CYS  12           H        CYS  12  -3.900   3.019  -2.429
   97    HA   CYS  12           HA       CYS  12  -5.225   5.662  -2.207
   98   1HB   CYS  12          2HB       CYS  12  -2.367   5.957  -2.390
   99   2HB   CYS  12          3HB       CYS  12  -3.500   6.636  -1.236
  100    QB   CYS  12           QB       CYS  12  -2.934   6.296  -1.813
   
  No H/Q in entry =         100
  Start of MODEL    9
    1   1H    GLY   1          1HN       GLY   1   6.317   6.975   4.182
    2   2H    GLY   1          2HN       GLY   1   5.735   8.085   3.128
    3   3H    GLY   1          3HN       GLY   1   5.945   8.496   4.712
    4   1HA   GLY   1          1HA       GLY   1   4.237   7.028   5.406
    5   2HA   GLY   1          2HA       GLY   1   3.606   8.096   4.127
    6    QA   GLY   1           QA       GLY   1   3.922   7.562   4.766
    7    H    CYS   2           H        CYS   2   2.641   5.480   4.852
    8    HA   CYS   2           HA       CYS   2   3.843   3.333   3.650
    9   1HB   CYS   2          1HB       CYS   2   1.513   3.774   5.124
   10   2HB   CYS   2          2HB       CYS   2   0.908   3.060   3.635
   11    QB   CYS   2           QB       CYS   2   1.211   3.417   4.380
   12    H    CYS   3           H        CYS   3   1.535   5.551   1.948
   13    HA   CYS   3           HA       CYS   3   1.110   3.681  -0.183
   14   1HB   CYS   3          1HB       CYS   3   0.890   6.700  -0.272
   15   2HB   CYS   3          2HB       CYS   3   0.210   5.543  -1.417
   16    QB   CYS   3           QB       CYS   3   0.550   6.121  -0.844
   17    H    SER   4           H        SER   4   3.939   5.563   0.530
   18    HA   SER   4           HA       SER   4   4.988   5.617  -2.193
   19   1HB   SER   4          1HB       SER   4   6.384   5.955   0.496
   20   2HB   SER   4          2HB       SER   4   7.025   6.377  -1.095
   21    HG   SER   4           HG       SER   4   6.284   8.225  -0.369
   22    QB   SER   4           QB       SER   4   6.705   6.166  -0.300
   23    H    ASP   5           H        ASP   5   4.373   2.985  -0.120
   24    HA   ASP   5           HA       ASP   5   6.877   1.550  -0.878
   25   1HB   ASP   5          1HB       ASP   5   6.519   1.712   1.550
   26   2HB   ASP   5          2HB       ASP   5   4.885   1.076   1.386
   27    QB   ASP   5           QB       ASP   5   5.702   1.394   1.468
   28    HA   PRO   6           HA       PRO   6   4.037  -0.256  -3.716
   29   1HB   PRO   6          1HB       PRO   6   5.376  -2.443  -4.664
   30   2HB   PRO   6          2HB       PRO   6   5.926  -0.762  -4.966
   31   1HG   PRO   6          1HG       PRO   6   6.882  -2.628  -2.771
   32   2HG   PRO   6          2HG       PRO   6   7.862  -1.731  -3.974
   33   1HD   PRO   6          1HD       PRO   6   7.439  -0.720  -1.503
   34   2HD   PRO   6          2HD       PRO   6   7.421   0.349  -2.935
   35    QB   PRO   6           QB       PRO   6   5.651  -1.603  -4.815
   36    QG   PRO   6           QG       PRO   6   7.372  -2.180  -3.372
   37    QD   PRO   6           QD       PRO   6   7.430  -0.186  -2.219
   38    H    ARG   7           H        ARG   7   4.992  -1.987  -0.875
   39    HA   ARG   7           HA       ARG   7   2.888  -4.036  -1.252
   40   1HB   ARG   7          1HB       ARG   7   5.435  -4.366  -0.465
   41   2HB   ARG   7          2HB       ARG   7   4.655  -4.106   1.100
   42   1HG   ARG   7          1HG       ARG   7   3.138  -5.934   0.770
   43   2HG   ARG   7          2HG       ARG   7   3.551  -6.084  -0.941
   44   1HD   ARG   7          1HD       ARG   7   5.440  -6.646   1.367
   45   2HD   ARG   7          2HD       ARG   7   4.584  -7.866   0.417
   46    HE   ARG   7           HE       ARG   7   6.882  -6.213  -0.371
   47   1HH1  ARG   7          2HH1      ARG   7   7.749  -6.420  -2.504
   48   2HH1  ARG   7          1HH1      ARG   7   7.086  -7.586  -3.615
   49   1HH2  ARG   7          2HH2      ARG   7   4.469  -8.603  -1.473
   50   2HH2  ARG   7          1HH2      ARG   7   5.139  -8.774  -3.044
   51    QB   ARG   7           QB       ARG   7   5.045  -4.236   0.317
   52    QG   ARG   7           QG       ARG   7   3.344  -6.009  -0.085
   53    QD   ARG   7           QD       ARG   7   5.012  -7.256   0.892
   54    QH1  ARG   7           QH1      ARG   7   7.417  -7.003  -3.060
   55    QH2  ARG   7           QH2      ARG   7   4.804  -8.689  -2.259
   56    H    CYS   8           H        CYS   8   3.060  -0.947  -0.232
   57    HA   CYS   8           HA       CYS   8   0.723  -1.391   1.470
   58   1HB   CYS   8          1HB       CYS   8   3.060  -0.615   2.552
   59   2HB   CYS   8          2HB       CYS   8   2.521   0.935   1.979
   60    QB   CYS   8           QB       CYS   8   2.791   0.160   2.266
   61    H    ALA   9           H        ALA   9   1.379  -0.683  -1.288
   62    HA   ALA   9           HA       ALA   9  -0.173   1.819  -1.807
   63   1HB   ALA   9          2HB       ALA   9   1.292  -0.049  -3.728
   64   2HB   ALA   9          3HB       ALA   9   0.429   1.440  -4.166
   65   3HB   ALA   9          1HB       ALA   9   1.875   1.528  -3.140
   66    QB   ALA   9           QB       ALA   9   1.199   0.973  -3.678
   67    H    TRP  10           H        TRP  10  -1.783   0.473  -0.511
   68    HA   TRP  10           HA       TRP  10  -3.485  -1.377  -1.815
   69   1HB   TRP  10          1HB       TRP  10  -4.809  -0.929   0.081
   70   2HB   TRP  10          2HB       TRP  10  -3.187  -0.865   0.657
   71    HD1  TRP  10           HD       TRP  10  -2.358   2.121   0.344
   72    HE1  TRP  10          1HE       TRP  10  -3.564   4.014   1.527
   73    HE3  TRP  10          3HE       TRP  10  -6.801  -0.238   1.318
   74    HZ2  TRP  10          2HZ       TRP  10  -6.133   4.474   2.759
   75    HZ3  TRP  10          3HZ       TRP  10  -8.629   0.987   2.471
   76    HH2  TRP  10           HH       TRP  10  -8.308   3.338   3.187
   77    QB   TRP  10           QB       TRP  10  -3.998  -0.897   0.369
   78    H    ARG  11           H        ARG  11  -5.898   0.102  -1.323
   79    HA   ARG  11           HA       ARG  11  -6.347   1.697  -3.714
   80   1HB   ARG  11          1HB       ARG  11  -7.909   0.063  -2.512
   81   2HB   ARG  11          2HB       ARG  11  -8.143   1.282  -1.276
   82   1HG   ARG  11          1HG       ARG  11  -8.673   1.940  -4.201
   83   2HG   ARG  11          2HG       ARG  11  -9.786   0.904  -3.310
   84   1HD   ARG  11          1HD       ARG  11 -10.002   2.710  -1.560
   85   2HD   ARG  11          2HD       ARG  11  -9.130   3.787  -2.654
   86    HE   ARG  11           HE       ARG  11 -11.806   2.547  -3.038
   87   1HH1  ARG  11          2HH1      ARG  11 -13.145   3.402  -4.632
   88   2HH1  ARG  11          1HH1      ARG  11 -12.758   4.882  -5.431
   89   1HH2  ARG  11          2HH2      ARG  11  -9.446   5.009  -4.157
   90   2HH2  ARG  11          1HH2      ARG  11 -10.409   5.483  -5.503
   91    QB   ARG  11           QB       ARG  11  -8.026   0.672  -1.894
   92    QG   ARG  11           QG       ARG  11  -9.230   1.422  -3.755
   93    QD   ARG  11           QD       ARG  11  -9.566   3.248  -2.107
   94    QH1  ARG  11           QH1      ARG  11 -12.952   4.142  -5.031
   95    QH2  ARG  11           QH2      ARG  11  -9.927   5.246  -4.830
   96    H    CYS  12           H        CYS  12  -4.245   2.912  -2.649
   97    HA   CYS  12           HA       CYS  12  -5.008   5.110  -0.845
   98   1HB   CYS  12          2HB       CYS  12  -2.683   3.995  -1.000
   99   2HB   CYS  12          3HB       CYS  12  -2.483   4.863  -2.522
  100    QB   CYS  12           QB       CYS  12  -2.583   4.429  -1.761
   
  No H/Q in entry =         100
  Start of MODEL   10
    1   1H    GLY   1          2HN       GLY   1   4.593   7.288   4.682
    2   2H    GLY   1          3HN       GLY   1   4.340   8.217   3.351
    3   3H    GLY   1          1HN       GLY   1   3.819   8.749   4.812
    4   1HA   GLY   1          1HA       GLY   1   2.211   7.033   4.982
    5   2HA   GLY   1          2HA       GLY   1   1.999   7.941   3.473
    6    QA   GLY   1           QA       GLY   1   2.105   7.487   4.227
    7    H    CYS   2           H        CYS   2   1.079   5.255   3.957
    8    HA   CYS   2           HA       CYS   2   2.821   3.201   3.098
    9   1HB   CYS   2          1HB       CYS   2  -0.012   3.615   3.804
   10   2HB   CYS   2          2HB       CYS   2   0.182   2.498   2.489
   11    QB   CYS   2           QB       CYS   2   0.085   3.056   3.146
   12    H    CYS   3           H        CYS   3   1.048   5.590   1.266
   13    HA   CYS   3           HA       CYS   3   0.875   4.535  -1.286
   14   1HB   CYS   3          1HB       CYS   3   1.777   7.310  -0.412
   15   2HB   CYS   3          2HB       CYS   3   1.141   6.898  -1.984
   16    QB   CYS   3           QB       CYS   3   1.459   7.104  -1.198
   17    H    SER   4           H        SER   4   3.759   5.546   0.497
   18    HA   SER   4           HA       SER   4   5.572   5.737  -1.742
   19   1HB   SER   4          1HB       SER   4   5.668   6.938   0.488
   20   2HB   SER   4          2HB       SER   4   6.090   5.398   1.249
   21    HG   SER   4           HG       SER   4   8.046   5.506   0.441
   22    QB   SER   4           QB       SER   4   5.879   6.168   0.869
   23    H    ASP   5           H        ASP   5   4.205   2.995  -0.023
   24    HA   ASP   5           HA       ASP   5   6.682   1.386  -0.349
   25   1HB   ASP   5          1HB       ASP   5   6.038   1.612   1.949
   26   2HB   ASP   5          2HB       ASP   5   4.348   1.272   1.588
   27    QB   ASP   5           QB       ASP   5   5.193   1.442   1.768
   28    HA   PRO   6           HA       PRO   6   4.109  -0.365  -3.569
   29   1HB   PRO   6          1HB       PRO   6   5.630  -2.554  -4.282
   30   2HB   PRO   6          2HB       PRO   6   5.954  -0.884  -4.830
   31   1HG   PRO   6          1HG       PRO   6   7.207  -2.355  -2.492
   32   2HG   PRO   6          2HG       PRO   6   8.038  -1.393  -3.749
   33   1HD   PRO   6          1HD       PRO   6   7.484  -0.352  -1.337
   34   2HD   PRO   6          2HD       PRO   6   7.277   0.663  -2.787
   35    QB   PRO   6           QB       PRO   6   5.792  -1.719  -4.556
   36    QG   PRO   6           QG       PRO   6   7.622  -1.874  -3.121
   37    QD   PRO   6           QD       PRO   6   7.380   0.155  -2.062
   38    H    ARG   7           H        ARG   7   5.253  -2.131  -0.802
   39    HA   ARG   7           HA       ARG   7   3.331  -4.302  -1.114
   40   1HB   ARG   7          1HB       ARG   7   5.733  -3.945   0.353
   41   2HB   ARG   7          2HB       ARG   7   4.461  -3.951   1.562
   42   1HG   ARG   7          1HG       ARG   7   4.815  -6.173   1.458
   43   2HG   ARG   7          2HG       ARG   7   3.606  -6.085   0.182
   44   1HD   ARG   7          1HD       ARG   7   6.637  -6.167  -0.146
   45   2HD   ARG   7          2HD       ARG   7   5.541  -7.495  -0.442
   46    HE   ARG   7           HE       ARG   7   4.557  -6.260  -2.305
   47   1HH1  ARG   7          2HH1      ARG   7   5.218  -5.598  -4.434
   48   2HH1  ARG   7          1HH1      ARG   7   6.788  -4.930  -4.656
   49   1HH2  ARG   7          2HH2      ARG   7   7.870  -5.272  -1.314
   50   2HH2  ARG   7          1HH2      ARG   7   8.363  -4.996  -2.960
   51    QB   ARG   7           QB       ARG   7   5.097  -3.948   0.957
   52    QG   ARG   7           QG       ARG   7   4.210  -6.129   0.820
   53    QD   ARG   7           QD       ARG   7   6.089  -6.831  -0.294
   54    QH1  ARG   7           QH1      ARG   7   6.003  -5.264  -4.545
   55    QH2  ARG   7           QH2      ARG   7   8.116  -5.134  -2.137
   56    H    CYS   8           H        CYS   8   3.008  -1.141  -0.164
   57    HA   CYS   8           HA       CYS   8   0.503  -1.680   1.250
   58   1HB   CYS   8          1HB       CYS   8   2.631  -0.779   2.636
   59   2HB   CYS   8          2HB       CYS   8   2.118   0.757   1.956
   60    QB   CYS   8           QB       CYS   8   2.375  -0.011   2.296
   61    H    ALA   9           H        ALA   9   1.317  -0.965  -1.461
   62    HA   ALA   9           HA       ALA   9   0.719   1.796  -1.937
   63   1HB   ALA   9          1HB       ALA   9   0.755  -0.554  -3.895
   64   2HB   ALA   9          2HB       ALA   9   0.702   1.163  -4.346
   65   3HB   ALA   9          3HB       ALA   9   2.116   0.526  -3.488
   66    QB   ALA   9           QB       ALA   9   1.191   0.378  -3.910
   67    H    TRP  10           H        TRP  10  -1.406  -1.157  -2.558
   68    HA   TRP  10           HA       TRP  10  -3.509   0.258  -3.618
   69   1HB   TRP  10          1HB       TRP  10  -4.697  -1.691  -3.184
   70   2HB   TRP  10          2HB       TRP  10  -3.083  -2.203  -3.548
   71    HD1  TRP  10           HD       TRP  10  -2.048  -1.768  -0.396
   72    HE1  TRP  10          1HE       TRP  10  -2.623  -3.533   1.293
   73    HE3  TRP  10          3HE       TRP  10  -6.061  -3.866  -2.794
   74    HZ2  TRP  10          2HZ       TRP  10  -4.421  -5.793   1.493
   75    HZ3  TRP  10          3HZ       TRP  10  -7.151  -5.876  -1.844
   76    HH2  TRP  10           HH       TRP  10  -6.313  -6.884   0.290
   77    QB   TRP  10           QB       TRP  10  -3.890  -1.947  -3.366
   78    H    ARG  11           H        ARG  11  -5.358   1.096  -2.725
   79    HA   ARG  11           HA       ARG  11  -6.760   2.075  -1.291
   80   1HB   ARG  11          1HB       ARG  11  -5.255   0.940   1.084
   81   2HB   ARG  11          2HB       ARG  11  -6.904   1.514   1.053
   82   1HG   ARG  11          1HG       ARG  11  -7.700  -0.390  -0.100
   83   2HG   ARG  11          2HG       ARG  11  -6.104  -0.875  -0.666
   84   1HD   ARG  11          1HD       ARG  11  -5.381  -1.384   1.611
   85   2HD   ARG  11          2HD       ARG  11  -6.979  -0.955   2.234
   86    HE   ARG  11           HE       ARG  11  -6.159  -3.354   0.822
   87   1HH1  ARG  11          2HH1      ARG  11  -7.654  -5.018   0.500
   88   2HH1  ARG  11          1HH1      ARG  11  -9.355  -4.790   0.792
   89   1HH2  ARG  11          2HH2      ARG  11  -9.005  -1.356   1.592
   90   2HH2  ARG  11          1HH2      ARG  11 -10.130  -2.670   1.563
   91    QB   ARG  11           QB       ARG  11  -6.080   1.227   1.068
   92    QG   ARG  11           QG       ARG  11  -6.902  -0.632  -0.383
   93    QD   ARG  11           QD       ARG  11  -6.180  -1.169   1.923
   94    QH1  ARG  11           QH1      ARG  11  -8.504  -4.904   0.646
   95    QH2  ARG  11           QH2      ARG  11  -9.568  -2.013   1.578
   96    H    CYS  12           H        CYS  12  -3.391   2.749  -1.093
   97    HA   CYS  12           HA       CYS  12  -3.954   5.273   0.401
   98   1HB   CYS  12          2HB       CYS  12  -2.037   3.733   1.075
   99   2HB   CYS  12          3HB       CYS  12  -1.261   4.170  -0.448
  100    QB   CYS  12           QB       CYS  12  -1.649   3.952   0.314
   
  No H/Q in entry =         100
  Start of MODEL   11
    1   1H    GLY   1          2HN       GLY   1   5.079   7.573   2.377
    2   2H    GLY   1          3HN       GLY   1   5.642   8.192   3.797
    3   3H    GLY   1          1HN       GLY   1   6.167   6.723   3.261
    4   1HA   GLY   1          1HA       GLY   1   4.600   6.449   5.048
    5   2HA   GLY   1          2HA       GLY   1   3.425   7.368   4.090
    6    QA   GLY   1           QA       GLY   1   4.012   6.909   4.569
    7    H    CYS   2           H        CYS   2   2.132   5.326   4.419
    8    HA   CYS   2           HA       CYS   2   2.686   2.826   3.359
    9   1HB   CYS   2          1HB       CYS   2   0.799   3.270   4.774
   10   2HB   CYS   2          2HB       CYS   2   0.146   4.450   3.666
   11    QB   CYS   2           QB       CYS   2   0.473   3.860   4.220
   12    H    CYS   3           H        CYS   3   0.994   5.475   1.537
   13    HA   CYS   3           HA       CYS   3   0.853   4.280  -0.951
   14   1HB   CYS   3          1HB       CYS   3   1.599   7.147  -0.272
   15   2HB   CYS   3          2HB       CYS   3   1.156   6.608  -1.879
   16    QB   CYS   3           QB       CYS   3   1.377   6.877  -1.075
   17    H    SER   4           H        SER   4   3.839   5.359   0.587
   18    HA   SER   4           HA       SER   4   5.358   5.621  -1.879
   19   1HB   SER   4          1HB       SER   4   6.396   5.691   0.934
   20   2HB   SER   4          2HB       SER   4   7.022   6.546  -0.483
   21    HG   SER   4           HG       SER   4   5.286   7.971  -0.361
   22    QB   SER   4           QB       SER   4   6.709   6.118   0.226
   23    H    ASP   5           H        ASP   5   4.351   2.886  -0.176
   24    HA   ASP   5           HA       ASP   5   6.865   1.390  -0.781
   25   1HB   ASP   5          1HB       ASP   5   6.550   1.538   1.634
   26   2HB   ASP   5          2HB       ASP   5   4.854   1.039   1.494
   27    QB   ASP   5           QB       ASP   5   5.702   1.289   1.564
   28    HA   PRO   6           HA       PRO   6   4.012  -0.446  -3.610
   29   1HB   PRO   6          1HB       PRO   6   5.178  -2.938  -4.125
   30   2HB   PRO   6          2HB       PRO   6   5.649  -1.386  -4.878
   31   1HG   PRO   6          1HG       PRO   6   6.892  -2.750  -2.478
   32   2HG   PRO   6          2HG       PRO   6   7.716  -1.983  -3.872
   33   1HD   PRO   6          1HD       PRO   6   7.459  -0.679  -1.531
   34   2HD   PRO   6          2HD       PRO   6   7.216   0.202  -3.065
   35    QB   PRO   6           QB       PRO   6   5.413  -2.162  -4.501
   36    QG   PRO   6           QG       PRO   6   7.304  -2.367  -3.175
   37    QD   PRO   6           QD       PRO   6   7.338  -0.239  -2.298
   38    H    ARG   7           H        ARG   7   4.860  -2.251  -0.767
   39    HA   ARG   7           HA       ARG   7   2.589  -4.085  -0.944
   40   1HB   ARG   7          1HB       ARG   7   4.930  -4.391   0.223
   41   2HB   ARG   7          2HB       ARG   7   4.070  -3.630   1.563
   42   1HG   ARG   7          1HG       ARG   7   2.304  -5.442   1.378
   43   2HG   ARG   7          2HG       ARG   7   3.323  -6.221   0.166
   44   1HD   ARG   7          1HD       ARG   7   4.049  -5.629   3.065
   45   2HD   ARG   7          2HD       ARG   7   3.649  -7.207   2.381
   46    HE   ARG   7           HE       ARG   7   6.022  -5.548   1.636
   47   1HH1  ARG   7          2HH1      ARG   7   7.834  -6.653   0.958
   48   2HH1  ARG   7          1HH1      ARG   7   8.150  -8.288   1.439
   49   1HH2  ARG   7          2HH2      ARG   7   4.785  -8.766   2.615
   50   2HH2  ARG   7          1HH2      ARG   7   6.331  -9.527   2.419
   51    QB   ARG   7           QB       ARG   7   4.500  -4.011   0.893
   52    QG   ARG   7           QG       ARG   7   2.814  -5.831   0.772
   53    QD   ARG   7           QD       ARG   7   3.849  -6.418   2.723
   54    QH1  ARG   7           QH1      ARG   7   7.992  -7.470   1.199
   55    QH2  ARG   7           QH2      ARG   7   5.558  -9.147   2.517
   56    H    CYS   8           H        CYS   8   2.788  -0.853  -0.234
   57    HA   CYS   8           HA       CYS   8   0.145  -0.956   0.990
   58   1HB   CYS   8          1HB       CYS   8   2.181  -0.639   2.609
   59   2HB   CYS   8          2HB       CYS   8   2.174   1.004   2.066
   60    QB   CYS   8           QB       CYS   8   2.177   0.183   2.337
   61    H    ALA   9           H        ALA   9   1.400  -0.431  -1.592
   62    HA   ALA   9           HA       ALA   9   0.441   2.261  -2.343
   63   1HB   ALA   9          3HB       ALA   9   2.238   1.077  -3.630
   64   2HB   ALA   9          1HB       ALA   9   1.053  -0.155  -4.114
   65   3HB   ALA   9          2HB       ALA   9   0.847   1.531  -4.641
   66    QB   ALA   9           QB       ALA   9   1.379   0.818  -4.128
   67    H    TRP  10           H        TRP  10  -0.912  -0.989  -1.877
   68    HA   TRP  10           HA       TRP  10  -3.280  -0.640  -3.366
   69   1HB   TRP  10          1HB       TRP  10  -3.834  -2.573  -2.507
   70   2HB   TRP  10          2HB       TRP  10  -2.187  -2.656  -2.018
   71    HD1  TRP  10           HD       TRP  10  -1.964  -1.458   0.706
   72    HE1  TRP  10          1HE       TRP  10  -3.521  -1.703   2.687
   73    HE3  TRP  10          3HE       TRP  10  -5.958  -3.549  -1.702
   74    HZ2  TRP  10          2HZ       TRP  10  -6.203  -2.710   3.195
   75    HZ3  TRP  10          3HZ       TRP  10  -8.034  -4.093  -0.451
   76    HH2  TRP  10           HH       TRP  10  -8.171  -3.651   1.987
   77    QB   TRP  10           QB       TRP  10  -3.010  -2.614  -2.263
   78    H    ARG  11           H        ARG  11  -5.192   0.088  -2.693
   79    HA   ARG  11           HA       ARG  11  -6.657   1.662  -1.812
   80   1HB   ARG  11          1HB       ARG  11  -6.467  -0.458  -0.251
   81   2HB   ARG  11          2HB       ARG  11  -5.799   0.653   0.912
   82   1HG   ARG  11          1HG       ARG  11  -7.858   1.388   1.462
   83   2HG   ARG  11          2HG       ARG  11  -8.230   1.829  -0.202
   84   1HD   ARG  11          1HD       ARG  11  -8.488  -0.969   0.989
   85   2HD   ARG  11          2HD       ARG  11  -9.828   0.134   0.734
   86    HE   ARG  11           HE       ARG  11  -8.388  -1.449  -1.260
   87   1HH1  ARG  11          2HH1      ARG  11  -9.193  -1.571  -3.347
   88   2HH1  ARG  11          1HH1      ARG  11 -10.455  -0.509  -3.915
   89   1HH2  ARG  11          2HH2      ARG  11 -10.725   1.239  -0.812
   90   2HH2  ARG  11          1HH2      ARG  11 -11.409   1.051  -2.380
   91    QB   ARG  11           QB       ARG  11  -6.133   0.098   0.331
   92    QG   ARG  11           QG       ARG  11  -8.044   1.608   0.630
   93    QD   ARG  11           QD       ARG  11  -9.158  -0.417   0.862
   94    QH1  ARG  11           QH1      ARG  11  -9.824  -1.040  -3.631
   95    QH2  ARG  11           QH2      ARG  11 -11.067   1.145  -1.596
   96    H    CYS  12           H        CYS  12  -3.824   2.694  -2.150
   97    HA   CYS  12           HA       CYS  12  -2.992   4.289  -0.018
   98   1HB   CYS  12          2HB       CYS  12  -1.434   3.965  -1.712
   99   2HB   CYS  12          3HB       CYS  12  -2.594   4.265  -2.998
  100    QB   CYS  12           QB       CYS  12  -2.014   4.115  -2.355
   
  No H/Q in entry =         100
  Start of MODEL   12
    1   1H    GLY   1          2HN       GLY   1   5.343   7.049   2.270
    2   2H    GLY   1          3HN       GLY   1   6.201   7.499   3.605
    3   3H    GLY   1          1HN       GLY   1   6.517   6.060   2.869
    4   1HA   GLY   1          1HA       GLY   1   5.283   5.651   4.844
    5   2HA   GLY   1          2HA       GLY   1   4.036   6.777   4.264
    6    QA   GLY   1           QA       GLY   1   4.659   6.214   4.554
    7    H    CYS   2           H        CYS   2   2.510   5.005   4.401
    8    HA   CYS   2           HA       CYS   2   2.728   2.545   3.093
    9   1HB   CYS   2          1HB       CYS   2   1.078   3.138   4.825
   10   2HB   CYS   2          2HB       CYS   2   0.262   4.200   3.693
   11    QB   CYS   2           QB       CYS   2   0.670   3.669   4.259
   12    H    CYS   3           H        CYS   3   1.251   5.588   1.770
   13    HA   CYS   3           HA       CYS   3   0.299   4.618  -0.642
   14   1HB   CYS   3          1HB       CYS   3   1.394   7.286   0.194
   15   2HB   CYS   3          2HB       CYS   3   1.065   6.976  -1.498
   16    QB   CYS   3           QB       CYS   3   1.229   7.131  -0.652
   17    H    SER   4           H        SER   4   3.741   5.395   0.031
   18    HA   SER   4           HA       SER   4   4.383   4.637  -2.792
   19   1HB   SER   4          1HB       SER   4   6.173   6.030  -0.784
   20   2HB   SER   4          2HB       SER   4   6.446   5.794  -2.518
   21    HG   SER   4           HG       SER   4   4.244   7.001  -2.594
   22    QB   SER   4           QB       SER   4   6.310   5.912  -1.651
   23    H    ASP   5           H        ASP   5   4.311   3.216   0.312
   24    HA   ASP   5           HA       ASP   5   6.685   1.545   0.056
   25   1HB   ASP   5          1HB       ASP   5   5.673   1.784   2.268
   26   2HB   ASP   5          2HB       ASP   5   4.134   1.205   1.662
   27    QB   ASP   5           QB       ASP   5   4.904   1.495   1.965
   28    HA   PRO   6           HA       PRO   6   4.742  -0.218  -3.422
   29   1HB   PRO   6          1HB       PRO   6   6.316  -2.434  -3.932
   30   2HB   PRO   6          2HB       PRO   6   6.807  -0.735  -4.240
   31   1HG   PRO   6          1HG       PRO   6   7.471  -2.430  -1.819
   32   2HG   PRO   6          2HG       PRO   6   8.572  -1.416  -2.814
   33   1HD   PRO   6          1HD       PRO   6   7.533  -0.507  -0.492
   34   2HD   PRO   6          2HD       PRO   6   7.703   0.583  -1.904
   35    QB   PRO   6           QB       PRO   6   6.561  -1.584  -4.086
   36    QG   PRO   6           QG       PRO   6   8.021  -1.923  -2.316
   37    QD   PRO   6           QD       PRO   6   7.618   0.038  -1.198
   38    H    ARG   7           H        ARG   7   4.978  -1.999  -0.468
   39    HA   ARG   7           HA       ARG   7   3.073  -4.066  -1.338
   40   1HB   ARG   7          1HB       ARG   7   5.332  -4.448  -0.151
   41   2HB   ARG   7          2HB       ARG   7   4.424  -3.970   1.281
   42   1HG   ARG   7          1HG       ARG   7   2.894  -5.804   1.026
   43   2HG   ARG   7          2HG       ARG   7   3.491  -6.150  -0.609
   44   1HD   ARG   7          1HD       ARG   7   4.387  -7.820   0.916
   45   2HD   ARG   7          2HD       ARG   7   5.687  -6.797   0.310
   46    HE   ARG   7           HE       ARG   7   6.136  -6.129   2.406
   47   1HH1  ARG   7          2HH1      ARG   7   5.996  -6.028   4.601
   48   2HH1  ARG   7          1HH1      ARG   7   4.570  -6.504   5.492
   49   1HH2  ARG   7          2HH2      ARG   7   2.880  -7.584   2.516
   50   2HH2  ARG   7          1HH2      ARG   7   2.744  -7.433   4.246
   51    QB   ARG   7           QB       ARG   7   4.878  -4.209   0.565
   52    QG   ARG   7           QG       ARG   7   3.193  -5.977   0.208
   53    QD   ARG   7           QD       ARG   7   5.037  -7.308   0.613
   54    QH1  ARG   7           QH1      ARG   7   5.283  -6.266   5.046
   55    QH2  ARG   7           QH2      ARG   7   2.812  -7.509   3.381
   56    H    CYS   8           H        CYS   8   2.964  -1.011  -0.090
   57    HA   CYS   8           HA       CYS   8   0.323  -1.411   1.135
   58   1HB   CYS   8          1HB       CYS   8   2.503  -0.771   2.566
   59   2HB   CYS   8          2HB       CYS   8   2.138   0.828   1.963
   60    QB   CYS   8           QB       CYS   8   2.321   0.028   2.264
   61    H    ALA   9           H        ALA   9   1.386  -0.608  -1.468
   62    HA   ALA   9           HA       ALA   9   0.435   2.162  -1.910
   63   1HB   ALA   9          2HB       ALA   9   2.345   1.284  -3.222
   64   2HB   ALA   9          3HB       ALA   9   1.279   0.055  -3.951
   65   3HB   ALA   9          1HB       ALA   9   1.010   1.783  -4.274
   66    QB   ALA   9           QB       ALA   9   1.544   1.040  -3.816
   67    H    TRP  10           H        TRP  10  -1.189  -0.918  -1.712
   68    HA   TRP  10           HA       TRP  10  -3.387  -0.325  -3.390
   69   1HB   TRP  10          1HB       TRP  10  -4.299  -2.150  -2.271
   70   2HB   TRP  10          2HB       TRP  10  -2.635  -2.555  -2.479
   71    HD1  TRP  10           HD       TRP  10  -1.151  -2.735  -0.172
   72    HE1  TRP  10          1HE       TRP  10  -1.870  -3.145   2.285
   73    HE3  TRP  10          3HE       TRP  10  -6.150  -1.783  -0.595
   74    HZ2  TRP  10          2HZ       TRP  10  -4.266  -2.982   3.850
   75    HZ3  TRP  10          3HZ       TRP  10  -7.641  -1.945   1.387
   76    HH2  TRP  10           HH       TRP  10  -6.705  -2.534   3.610
   77    QB   TRP  10           QB       TRP  10  -3.467  -2.353  -2.375
   78    H    ARG  11           H        ARG  11  -5.361   0.520  -2.655
   79    HA   ARG  11           HA       ARG  11  -6.497   2.370  -1.869
   80   1HB   ARG  11          1HB       ARG  11  -6.891   0.344  -0.377
   81   2HB   ARG  11          2HB       ARG  11  -5.799   1.096   0.786
   82   1HG   ARG  11          1HG       ARG  11  -7.445   3.117   0.684
   83   2HG   ARG  11          2HG       ARG  11  -8.517   2.040  -0.202
   84   1HD   ARG  11          1HD       ARG  11  -9.067   0.849   1.662
   85   2HD   ARG  11          2HD       ARG  11  -7.413   0.852   2.297
   86    HE   ARG  11           HE       ARG  11  -8.021   3.412   2.672
   87   1HH1  ARG  11          2HH1      ARG  11  -8.842   4.354   4.485
   88   2HH1  ARG  11          1HH1      ARG  11  -9.986   3.531   5.499
   89   1HH2  ARG  11          2HH2      ARG  11  -9.892   0.522   3.607
   90   2HH2  ARG  11          1HH2      ARG  11 -10.567   1.326   5.002
   91    QB   ARG  11           QB       ARG  11  -6.345   0.720   0.205
   92    QG   ARG  11           QG       ARG  11  -7.981   2.579   0.241
   93    QD   ARG  11           QD       ARG  11  -8.240   0.851   1.980
   94    QH1  ARG  11           QH1      ARG  11  -9.414   3.943   4.992
   95    QH2  ARG  11           QH2      ARG  11 -10.229   0.924   4.304
   96    H    CYS  12           H        CYS  12  -3.715   3.193  -2.363
   97    HA   CYS  12           HA       CYS  12  -2.696   4.843  -0.357
   98   1HB   CYS  12          2HB       CYS  12  -1.532   4.635  -2.444
   99   2HB   CYS  12          3HB       CYS  12  -2.893   5.337  -3.334
  100    QB   CYS  12           QB       CYS  12  -2.213   4.986  -2.889
   
  No H/Q in entry =         100
  Start of MODEL   13
    1   1H    GLY   1          1HN       GLY   1   6.923   5.365   3.040
    2   2H    GLY   1          2HN       GLY   1   6.309   6.447   1.974
    3   3H    GLY   1          3HN       GLY   1   6.981   6.984   3.376
    4   1HA   GLY   1          1HA       GLY   1   5.230   6.011   4.665
    5   2HA   GLY   1          2HA       GLY   1   4.573   7.075   3.402
    6    QA   GLY   1           QA       GLY   1   4.902   6.543   4.034
    7    H    CYS   2           H        CYS   2   2.870   5.139   4.401
    8    HA   CYS   2           HA       CYS   2   2.995   2.592   3.229
    9   1HB   CYS   2          1HB       CYS   2   1.432   3.211   5.011
   10   2HB   CYS   2          2HB       CYS   2   0.552   4.257   3.907
   11    QB   CYS   2           QB       CYS   2   0.992   3.734   4.459
   12    H    CYS   3           H        CYS   3   1.184   5.468   1.918
   13    HA   CYS   3           HA       CYS   3   0.433   4.214  -0.490
   14   1HB   CYS   3          1HB       CYS   3   1.178   7.140  -0.219
   15   2HB   CYS   3          2HB       CYS   3   0.070   6.420  -1.373
   16    QB   CYS   3           QB       CYS   3   0.624   6.780  -0.796
   17    H    SER   4           H        SER   4   3.621   5.337   0.452
   18    HA   SER   4           HA       SER   4   4.655   5.649  -2.256
   19   1HB   SER   4          1HB       SER   4   6.475   5.634   0.088
   20   2HB   SER   4          2HB       SER   4   6.333   6.788  -1.238
   21    HG   SER   4           HG       SER   4   5.049   7.992  -0.074
   22    QB   SER   4           QB       SER   4   6.404   6.211  -0.575
   23    H    ASP   5           H        ASP   5   4.076   2.961  -0.209
   24    HA   ASP   5           HA       ASP   5   6.697   1.662  -0.691
   25   1HB   ASP   5          1HB       ASP   5   6.104   1.981   1.638
   26   2HB   ASP   5          2HB       ASP   5   4.501   1.302   1.382
   27    QB   ASP   5           QB       ASP   5   5.302   1.642   1.510
   28    HA   PRO   6           HA       PRO   6   4.438  -0.706  -3.569
   29   1HB   PRO   6          1HB       PRO   6   6.065  -2.797  -4.170
   30   2HB   PRO   6          2HB       PRO   6   6.483  -1.106  -4.573
   31   1HG   PRO   6          1HG       PRO   6   7.391  -2.714  -2.161
   32   2HG   PRO   6          2HG       PRO   6   8.398  -1.741  -3.281
   33   1HD   PRO   6          1HD       PRO   6   7.510  -0.768  -0.898
   34   2HD   PRO   6          2HD       PRO   6   7.655   0.286  -2.321
   35    QB   PRO   6           QB       PRO   6   6.274  -1.952  -4.371
   36    QG   PRO   6           QG       PRO   6   7.895  -2.227  -2.721
   37    QD   PRO   6           QD       PRO   6   7.583  -0.241  -1.610
   38    H    ARG   7           H        ARG   7   4.992  -2.022  -0.425
   39    HA   ARG   7           HA       ARG   7   3.087  -4.213  -0.952
   40   1HB   ARG   7          1HB       ARG   7   5.431  -4.303   0.469
   41   2HB   ARG   7          2HB       ARG   7   4.254  -3.994   1.732
   42   1HG   ARG   7          1HG       ARG   7   3.118  -6.047   0.035
   43   2HG   ARG   7          2HG       ARG   7   4.817  -6.433   0.255
   44   1HD   ARG   7          1HD       ARG   7   3.510  -7.544   1.936
   45   2HD   ARG   7          2HD       ARG   7   4.515  -6.304   2.710
   46    HE   ARG   7           HE       ARG   7   1.985  -5.171   2.061
   47   1HH1  ARG   7          2HH1      ARG   7   0.431  -4.814   3.773
   48   2HH1  ARG   7          1HH1      ARG   7   0.655  -5.582   5.303
   49   1HH2  ARG   7          2HH2      ARG   7   3.539  -7.396   4.348
   50   2HH2  ARG   7          1HH2      ARG   7   2.535  -6.940   5.689
   51    QB   ARG   7           QB       ARG   7   4.842  -4.149   1.101
   52    QG   ARG   7           QG       ARG   7   3.968  -6.240   0.145
   53    QD   ARG   7           QD       ARG   7   4.012  -6.924   2.323
   54    QH1  ARG   7           QH1      ARG   7   0.543  -5.198   4.538
   55    QH2  ARG   7           QH2      ARG   7   3.037  -7.168   5.018
   56    H    CYS   8           H        CYS   8   2.939  -1.033  -0.245
   57    HA   CYS   8           HA       CYS   8   0.460  -1.327   1.278
   58   1HB   CYS   8          1HB       CYS   8   2.756  -0.800   2.522
   59   2HB   CYS   8          2HB       CYS   8   2.490   0.812   1.960
   60    QB   CYS   8           QB       CYS   8   2.623   0.006   2.241
   61    H    ALA   9           H        ALA   9   1.353  -0.553  -1.398
   62    HA   ALA   9           HA       ALA   9   0.301   2.222  -1.753
   63   1HB   ALA   9          2HB       ALA   9   1.452   0.302  -3.820
   64   2HB   ALA   9          3HB       ALA   9   0.980   1.988  -4.115
   65   3HB   ALA   9          1HB       ALA   9   2.319   1.636  -3.009
   66    QB   ALA   9           QB       ALA   9   1.584   1.309  -3.648
   67    H    TRP  10           H        TRP  10  -1.177  -0.899  -1.726
   68    HA   TRP  10           HA       TRP  10  -3.311  -0.340  -3.472
   69   1HB   TRP  10          1HB       TRP  10  -4.299  -2.055  -2.365
   70   2HB   TRP  10          2HB       TRP  10  -2.646  -2.479  -2.156
   71    HD1  TRP  10           HD       TRP  10  -2.142  -0.648   0.539
   72    HE1  TRP  10          1HE       TRP  10  -3.158  -1.465   2.758
   73    HE3  TRP  10          3HE       TRP  10  -5.884  -3.614  -1.307
   74    HZ2  TRP  10          2HZ       TRP  10  -5.109  -3.406   3.601
   75    HZ3  TRP  10          3HZ       TRP  10  -7.272  -4.967   0.214
   76    HH2  TRP  10           HH       TRP  10  -6.859  -4.918   2.683
   77    QB   TRP  10           QB       TRP  10  -3.472  -2.267  -2.261
   78    H    ARG  11           H        ARG  11  -5.466   0.435  -2.733
   79    HA   ARG  11           HA       ARG  11  -6.932   1.658  -1.569
   80   1HB   ARG  11          1HB       ARG  11  -5.717   0.195   0.266
   81   2HB   ARG  11          2HB       ARG  11  -5.085   1.744   0.824
   82   1HG   ARG  11          1HG       ARG  11  -7.437   2.519   1.190
   83   2HG   ARG  11          2HG       ARG  11  -8.006   0.916   0.653
   84   1HD   ARG  11          1HD       ARG  11  -6.464  -0.102   2.410
   85   2HD   ARG  11          2HD       ARG  11  -6.136   1.518   3.003
   86    HE   ARG  11           HE       ARG  11  -8.702   0.007   3.124
   87   1HH1  ARG  11          2HH1      ARG  11  -9.725   0.166   5.283
   88   2HH1  ARG  11          1HH1      ARG  11  -9.257   1.523   6.274
   89   1HH2  ARG  11          2HH2      ARG  11  -7.097   3.024   4.031
   90   2HH2  ARG  11          1HH2      ARG  11  -7.972   3.225   5.494
   91    QB   ARG  11           QB       ARG  11  -5.401   0.970   0.545
   92    QG   ARG  11           QG       ARG  11  -7.721   1.718   0.921
   93    QD   ARG  11           QD       ARG  11  -6.300   0.708   2.706
   94    QH1  ARG  11           QH1      ARG  11  -9.491   0.845   5.779
   95    QH2  ARG  11           QH2      ARG  11  -7.535   3.124   4.763
   96    H    CYS  12           H        CYS  12  -3.886   3.036  -2.345
   97    HA   CYS  12           HA       CYS  12  -4.880   5.742  -1.646
   98   1HB   CYS  12          2HB       CYS  12  -3.255   4.741   0.053
   99   2HB   CYS  12          3HB       CYS  12  -2.062   4.702  -1.249
  100    QB   CYS  12           QB       CYS  12  -2.659   4.721  -0.598
   
  No H/Q in entry =         100
  Start of MODEL   14
    1   1H    GLY   1          2HN       GLY   1   6.844   5.158   2.877
    2   2H    GLY   1          3HN       GLY   1   7.092   6.373   3.975
    3   3H    GLY   1          1HN       GLY   1   6.636   4.862   4.476
    4   1HA   GLY   1          1HA       GLY   1   4.744   6.184   4.633
    5   2HA   GLY   1          2HA       GLY   1   4.983   6.785   3.003
    6    QA   GLY   1           QA       GLY   1   4.864   6.484   3.818
    7    H    CYS   2           H        CYS   2   2.768   5.301   4.168
    8    HA   CYS   2           HA       CYS   2   2.800   2.622   3.125
    9   1HB   CYS   2          1HB       CYS   2   1.233   3.451   4.878
   10   2HB   CYS   2          2HB       CYS   2   0.364   4.349   3.639
   11    QB   CYS   2           QB       CYS   2   0.799   3.900   4.258
   12    H    CYS   3           H        CYS   3   1.316   5.639   1.840
   13    HA   CYS   3           HA       CYS   3   0.931   4.749  -0.865
   14   1HB   CYS   3          1HB       CYS   3   1.230   7.423   0.521
   15   2HB   CYS   3          2HB       CYS   3   0.908   7.306  -1.203
   16    QB   CYS   3           QB       CYS   3   1.069   7.364  -0.341
   17    H    SER   4           H        SER   4   3.867   4.686   0.541
   18    HA   SER   4           HA       SER   4   5.291   5.747  -1.862
   19   1HB   SER   4          1HB       SER   4   6.571   5.401   0.836
   20   2HB   SER   4          2HB       SER   4   7.142   6.335  -0.542
   21    HG   SER   4           HG       SER   4   6.307   7.594   1.193
   22    QB   SER   4           QB       SER   4   6.857   5.868   0.147
   23    H    ASP   5           H        ASP   5   4.347   2.844  -0.194
   24    HA   ASP   5           HA       ASP   5   6.874   1.485  -1.058
   25   1HB   ASP   5          1HB       ASP   5   6.758   1.698   1.387
   26   2HB   ASP   5          2HB       ASP   5   5.130   0.994   1.384
   27    QB   ASP   5           QB       ASP   5   5.944   1.346   1.386
   28    HA   PRO   6           HA       PRO   6   3.849  -0.460  -3.576
   29   1HB   PRO   6          1HB       PRO   6   5.189  -2.705  -4.495
   30   2HB   PRO   6          2HB       PRO   6   5.525  -1.035  -5.041
   31   1HG   PRO   6          1HG       PRO   6   6.941  -2.596  -2.874
   32   2HG   PRO   6          2HG       PRO   6   7.673  -1.689  -4.245
   33   1HD   PRO   6          1HD       PRO   6   7.467  -0.582  -1.788
   34   2HD   PRO   6          2HD       PRO   6   7.126   0.405  -3.245
   35    QB   PRO   6           QB       PRO   6   5.357  -1.870  -4.768
   36    QG   PRO   6           QG       PRO   6   7.307  -2.143  -3.560
   37    QD   PRO   6           QD       PRO   6   7.297  -0.089  -2.517
   38    H    ARG   7           H        ARG   7   4.939  -2.041  -0.693
   39    HA   ARG   7           HA       ARG   7   3.000  -4.220  -0.886
   40   1HB   ARG   7          1HB       ARG   7   5.486  -4.105   0.216
   41   2HB   ARG   7          2HB       ARG   7   4.501  -3.562   1.563
   42   1HG   ARG   7          1HG       ARG   7   4.103  -5.674   2.087
   43   2HG   ARG   7          2HG       ARG   7   3.134  -5.834   0.614
   44   1HD   ARG   7          1HD       ARG   7   6.116  -6.405   0.935
   45   2HD   ARG   7          2HD       ARG   7   4.822  -7.590   0.716
   46    HE   ARG   7           HE       ARG   7   4.684  -5.845  -1.490
   47   1HH1  ARG   7          2HH1      ARG   7   5.582  -6.223  -3.449
   48   2HH1  ARG   7          1HH1      ARG   7   6.843  -7.414  -3.682
   49   1HH2  ARG   7          2HH2      ARG   7   6.996  -8.260  -0.228
   50   2HH2  ARG   7          1HH2      ARG   7   7.743  -8.501  -1.763
   51    QB   ARG   7           QB       ARG   7   4.993  -3.834   0.890
   52    QG   ARG   7           QG       ARG   7   3.618  -5.754   1.350
   53    QD   ARG   7           QD       ARG   7   5.469  -6.997   0.826
   54    QH1  ARG   7           QH1      ARG   7   6.212  -6.819  -3.566
   55    QH2  ARG   7           QH2      ARG   7   7.370  -8.381  -0.995
   56    H    CYS   8           H        CYS   8   2.951  -0.991  -0.115
   57    HA   CYS   8           HA       CYS   8   0.520  -1.325   1.499
   58   1HB   CYS   8          1HB       CYS   8   2.824  -0.607   2.638
   59   2HB   CYS   8          2HB       CYS   8   2.453   0.951   1.973
   60    QB   CYS   8           QB       CYS   8   2.638   0.172   2.305
   61    H    ALA   9           H        ALA   9   1.237  -0.712  -1.268
   62    HA   ALA   9           HA       ALA   9   0.400   2.099  -1.700
   63   1HB   ALA   9          1HB       ALA   9   2.210   1.189  -3.083
   64   2HB   ALA   9          2HB       ALA   9   1.100  -0.051  -3.736
   65   3HB   ALA   9          3HB       ALA   9   0.824   1.668  -4.080
   66    QB   ALA   9           QB       ALA   9   1.378   0.935  -3.633
   67    H    TRP  10           H        TRP  10  -1.213  -1.146  -1.862
   68    HA   TRP  10           HA       TRP  10  -3.291  -0.248  -3.545
   69   1HB   TRP  10          1HB       TRP  10  -4.007  -2.273  -3.407
   70   2HB   TRP  10          2HB       TRP  10  -2.547  -2.625  -2.591
   71    HD1  TRP  10           HD       TRP  10  -2.836  -2.556   0.284
   72    HE1  TRP  10          1HE       TRP  10  -4.772  -3.534   1.674
   73    HE3  TRP  10          3HE       TRP  10  -6.413  -2.728  -3.357
   74    HZ2  TRP  10          2HZ       TRP  10  -7.513  -4.369   1.209
   75    HZ3  TRP  10          3HZ       TRP  10  -8.692  -3.591  -2.850
   76    HH2  TRP  10           HH       TRP  10  -9.240  -4.422  -0.583
   77    QB   TRP  10           QB       TRP  10  -3.277  -2.449  -2.999
   78    H    ARG  11           H        ARG  11  -5.420   0.293  -2.981
   79    HA   ARG  11           HA       ARG  11  -7.014   1.586  -2.062
   80   1HB   ARG  11          1HB       ARG  11  -5.717   0.985   0.599
   81   2HB   ARG  11          2HB       ARG  11  -7.113   2.034   0.416
   82   1HG   ARG  11          1HG       ARG  11  -8.368   0.197  -0.680
   83   2HG   ARG  11          2HG       ARG  11  -7.008  -0.891  -0.359
   84   1HD   ARG  11          1HD       ARG  11  -8.677   0.612   1.708
   85   2HD   ARG  11          2HD       ARG  11  -8.786  -1.106   1.306
   86    HE   ARG  11           HE       ARG  11  -6.372   0.224   2.485
   87   1HH1  ARG  11          2HH1      ARG  11  -4.991  -1.209   3.790
   88   2HH1  ARG  11          1HH1      ARG  11  -5.527  -2.840   4.013
   89   1HH2  ARG  11          2HH2      ARG  11  -8.768  -2.340   2.756
   90   2HH2  ARG  11          1HH2      ARG  11  -7.764  -3.419   3.695
   91    QB   ARG  11           QB       ARG  11  -6.415   1.510   0.508
   92    QG   ARG  11           QG       ARG  11  -7.688  -0.347  -0.520
   93    QD   ARG  11           QD       ARG  11  -8.732  -0.247   1.507
   94    QH1  ARG  11           QH1      ARG  11  -5.259  -2.025   3.902
   95    QH2  ARG  11           QH2      ARG  11  -8.266  -2.879   3.225
   96    H    CYS  12           H        CYS  12  -3.749   2.593  -1.959
   97    HA   CYS  12           HA       CYS  12  -4.203   5.258  -0.928
   98   1HB   CYS  12          2HB       CYS  12  -1.911   4.168  -1.113
   99   2HB   CYS  12          3HB       CYS  12  -2.068   4.303  -2.872
  100    QB   CYS  12           QB       CYS  12  -1.990   4.235  -1.992
   
  No H/Q in entry =         100
  Start of MODEL   15
    1   1H    GLY   1          1HN       GLY   1   6.491   5.892   3.382
    2   2H    GLY   1          2HN       GLY   1   5.585   6.789   2.353
    3   3H    GLY   1          3HN       GLY   1   6.227   7.496   3.696
    4   1HA   GLY   1          1HA       GLY   1   4.839   6.242   5.133
    5   2HA   GLY   1          2HA       GLY   1   3.845   7.038   3.896
    6    QA   GLY   1           QA       GLY   1   4.342   6.640   4.514
    7    H    CYS   2           H        CYS   2   2.270   5.286   4.415
    8    HA   CYS   2           HA       CYS   2   2.760   2.558   3.568
    9   1HB   CYS   2          1HB       CYS   2   0.958   3.005   5.086
   10   2HB   CYS   2          2HB       CYS   2   0.284   4.231   4.026
   11    QB   CYS   2           QB       CYS   2   0.621   3.618   4.556
   12    H    CYS   3           H        CYS   3   0.793   5.121   2.040
   13    HA   CYS   3           HA       CYS   3   0.107   3.995  -0.214
   14   1HB   CYS   3          1HB       CYS   3   0.890   6.902   0.163
   15   2HB   CYS   3          2HB       CYS   3  -0.060   6.304  -1.184
   16    QB   CYS   3           QB       CYS   3   0.415   6.603  -0.510
   17    H    SER   4           H        SER   4   3.444   4.687   0.132
   18    HA   SER   4           HA       SER   4   3.843   4.586  -2.828
   19   1HB   SER   4          1HB       SER   4   5.599   6.213  -0.990
   20   2HB   SER   4          2HB       SER   4   5.486   6.269  -2.755
   21    HG   SER   4           HG       SER   4   3.392   7.086  -2.567
   22    QB   SER   4           QB       SER   4   5.542   6.241  -1.873
   23    H    ASP   5           H        ASP   5   4.337   2.896   0.022
   24    HA   ASP   5           HA       ASP   5   6.920   1.699  -0.825
   25   1HB   ASP   5          1HB       ASP   5   6.598   1.969   1.600
   26   2HB   ASP   5          2HB       ASP   5   5.023   1.153   1.510
   27    QB   ASP   5           QB       ASP   5   5.811   1.561   1.555
   28    HA   PRO   6           HA       PRO   6   4.348  -0.490  -3.520
   29   1HB   PRO   6          1HB       PRO   6   5.712  -2.784  -4.200
   30   2HB   PRO   6          2HB       PRO   6   6.197  -1.141  -4.711
   31   1HG   PRO   6          1HG       PRO   6   7.223  -2.731  -2.340
   32   2HG   PRO   6          2HG       PRO   6   8.174  -1.882  -3.600
   33   1HD   PRO   6          1HD       PRO   6   7.672  -0.725  -1.220
   34   2HD   PRO   6          2HD       PRO   6   7.614   0.249  -2.708
   35    QB   PRO   6           QB       PRO   6   5.954  -1.963  -4.455
   36    QG   PRO   6           QG       PRO   6   7.699  -2.307  -2.970
   37    QD   PRO   6           QD       PRO   6   7.643  -0.238  -1.964
   38    H    ARG   7           H        ARG   7   4.989  -2.033  -0.487
   39    HA   ARG   7           HA       ARG   7   2.930  -4.094  -0.944
   40   1HB   ARG   7          1HB       ARG   7   5.228  -4.449   0.135
   41   2HB   ARG   7          2HB       ARG   7   4.473  -3.692   1.540
   42   1HG   ARG   7          1HG       ARG   7   2.938  -5.452   1.837
   43   2HG   ARG   7          2HG       ARG   7   3.064  -5.961   0.153
   44   1HD   ARG   7          1HD       ARG   7   4.100  -7.619   1.567
   45   2HD   ARG   7          2HD       ARG   7   5.292  -6.844   0.508
   46    HE   ARG   7           HE       ARG   7   5.172  -5.572   3.097
   47   1HH1  ARG   7          2HH1      ARG   7   6.985  -5.897   4.590
   48   2HH1  ARG   7          1HH1      ARG   7   8.030  -7.232   4.359
   49   1HH2  ARG   7          2HH2      ARG   7   6.484  -8.364   1.368
   50   2HH2  ARG   7          1HH2      ARG   7   7.757  -8.665   2.513
   51    QB   ARG   7           QB       ARG   7   4.851  -4.070   0.838
   52    QG   ARG   7           QG       ARG   7   3.001  -5.707   0.995
   53    QD   ARG   7           QD       ARG   7   4.696  -7.231   1.037
   54    QH1  ARG   7           QH1      ARG   7   7.508  -6.564   4.475
   55    QH2  ARG   7           QH2      ARG   7   7.120  -8.515   1.941
   56    H    CYS   8           H        CYS   8   3.003  -0.910  -0.078
   57    HA   CYS   8           HA       CYS   8   0.349  -1.113   1.173
   58   1HB   CYS   8          1HB       CYS   8   2.399  -0.764   2.764
   59   2HB   CYS   8          2HB       CYS   8   2.317   0.890   2.235
   60    QB   CYS   8           QB       CYS   8   2.358   0.063   2.499
   61    H    ALA   9           H        ALA   9   1.371  -0.557  -1.493
   62    HA   ALA   9           HA       ALA   9   0.664   2.294  -1.960
   63   1HB   ALA   9          3HB       ALA   9   1.568   0.109  -3.885
   64   2HB   ALA   9          1HB       ALA   9   1.234   1.798  -4.319
   65   3HB   ALA   9          2HB       ALA   9   2.584   1.424  -3.227
   66    QB   ALA   9           QB       ALA   9   1.795   1.110  -3.810
   67    H    TRP  10           H        TRP  10  -0.902  -0.803  -1.797
   68    HA   TRP  10           HA       TRP  10  -3.150  -0.262  -3.407
   69   1HB   TRP  10          1HB       TRP  10  -4.040  -2.034  -2.126
   70   2HB   TRP  10          2HB       TRP  10  -2.370  -2.436  -2.260
   71    HD1  TRP  10           HD       TRP  10  -0.953  -2.419  -0.003
   72    HE1  TRP  10          1HE       TRP  10  -1.567  -2.309   2.491
   73    HE3  TRP  10          3HE       TRP  10  -5.921  -1.347  -0.464
   74    HZ2  TRP  10          2HZ       TRP  10  -3.944  -1.826   4.079
   75    HZ3  TRP  10          3HZ       TRP  10  -7.363  -1.134   1.546
   76    HH2  TRP  10           HH       TRP  10  -6.381  -1.350   3.819
   77    QB   TRP  10           QB       TRP  10  -3.205  -2.235  -2.193
   78    H    ARG  11           H        ARG  11  -5.252   0.396  -2.396
   79    HA   ARG  11           HA       ARG  11  -6.607   1.754  -1.218
   80   1HB   ARG  11          1HB       ARG  11  -4.883   1.039   0.777
   81   2HB   ARG  11          2HB       ARG  11  -4.536   2.750   0.712
   82   1HG   ARG  11          1HG       ARG  11  -6.943   3.234   1.134
   83   2HG   ARG  11          2HG       ARG  11  -7.248   1.474   1.205
   84   1HD   ARG  11          1HD       ARG  11  -5.455   1.338   3.005
   85   2HD   ARG  11          2HD       ARG  11  -5.398   3.110   2.963
   86    HE   ARG  11           HE       ARG  11  -8.016   1.826   3.485
   87   1HH1  ARG  11          2HH1      ARG  11  -9.046   2.353   5.315
   88   2HH1  ARG  11          1HH1      ARG  11  -8.338   3.307   6.602
   89   1HH2  ARG  11          2HH2      ARG  11  -5.173   3.468   4.913
   90   2HH2  ARG  11          1HH2      ARG  11  -6.081   4.050   6.281
   91    QB   ARG  11           QB       ARG  11  -4.709   1.894   0.744
   92    QG   ARG  11           QG       ARG  11  -7.096   2.354   1.169
   93    QD   ARG  11           QD       ARG  11  -5.427   2.224   2.984
   94    QH1  ARG  11           QH1      ARG  11  -8.692   2.830   5.959
   95    QH2  ARG  11           QH2      ARG  11  -5.627   3.759   5.597
   96    H    CYS  12           H        CYS  12  -3.561   2.981  -2.264
   97    HA   CYS  12           HA       CYS  12  -4.796   5.652  -2.707
   98   1HB   CYS  12          2HB       CYS  12  -1.992   5.915  -2.123
   99   2HB   CYS  12          3HB       CYS  12  -3.364   6.772  -1.452
  100    QB   CYS  12           QB       CYS  12  -2.678   6.344  -1.787
   
  No H/Q in entry =         100
  Start of MODEL   16
    1   1H    GLY   1          2HN       GLY   1   4.995   7.982   2.563
    2   2H    GLY   1          3HN       GLY   1   3.609   8.572   1.893
    3   3H    GLY   1          1HN       GLY   1   4.260   9.294   3.234
    4   1HA   GLY   1          1HA       GLY   1   3.812   7.399   4.582
    5   2HA   GLY   1          2HA       GLY   1   2.330   7.955   3.781
    6    QA   GLY   1           QA       GLY   1   3.071   7.677   4.181
    7    H    CYS   2           H        CYS   2   1.488   5.767   4.016
    8    HA   CYS   2           HA       CYS   2   2.676   3.408   3.350
    9   1HB   CYS   2          1HB       CYS   2   0.062   4.271   3.981
   10   2HB   CYS   2          2HB       CYS   2  -0.111   3.395   2.491
   11    QB   CYS   2           QB       CYS   2  -0.024   3.833   3.236
   12    H    CYS   3           H        CYS   3   1.098   5.620   0.978
   13    HA   CYS   3           HA       CYS   3   1.031   3.994  -1.260
   14   1HB   CYS   3          1HB       CYS   3   1.745   6.903  -0.908
   15   2HB   CYS   3          2HB       CYS   3   1.672   6.176  -2.501
   16    QB   CYS   3           QB       CYS   3   1.708   6.539  -1.704
   17    H    SER   4           H        SER   4   3.942   5.347   0.254
   18    HA   SER   4           HA       SER   4   5.621   4.869  -2.091
   19   1HB   SER   4          1HB       SER   4   6.265   5.933   0.671
   20   2HB   SER   4          2HB       SER   4   7.308   6.007  -0.768
   21    HG   SER   4           HG       SER   4   5.210   7.089  -1.653
   22    QB   SER   4           QB       SER   4   6.786   5.970  -0.048
   23    H    ASP   5           H        ASP   5   4.517   2.931   0.503
   24    HA   ASP   5           HA       ASP   5   6.778   1.018   0.278
   25   1HB   ASP   5          1HB       ASP   5   5.930   0.956   2.493
   26   2HB   ASP   5          2HB       ASP   5   4.259   1.143   1.962
   27    QB   ASP   5           QB       ASP   5   5.095   1.050   2.228
   28    HA   PRO   6           HA       PRO   6   4.354  -0.007  -3.365
   29   1HB   PRO   6          1HB       PRO   6   5.601  -2.375  -4.129
   30   2HB   PRO   6          2HB       PRO   6   6.202  -0.741  -4.494
   31   1HG   PRO   6          1HG       PRO   6   7.005  -2.570  -2.228
   32   2HG   PRO   6          2HG       PRO   6   8.067  -1.598  -3.303
   33   1HD   PRO   6          1HD       PRO   6   7.403  -0.773  -0.808
   34   2HD   PRO   6          2HD       PRO   6   7.516   0.407  -2.148
   35    QB   PRO   6           QB       PRO   6   5.901  -1.558  -4.312
   36    QG   PRO   6           QG       PRO   6   7.536  -2.084  -2.766
   37    QD   PRO   6           QD       PRO   6   7.459  -0.183  -1.478
   38    H    ARG   7           H        ARG   7   4.709  -2.123  -0.638
   39    HA   ARG   7           HA       ARG   7   2.511  -3.894  -1.420
   40   1HB   ARG   7          1HB       ARG   7   4.567  -4.458   0.019
   41   2HB   ARG   7          2HB       ARG   7   3.640  -3.664   1.296
   42   1HG   ARG   7          1HG       ARG   7   1.754  -5.366   0.654
   43   2HG   ARG   7          2HG       ARG   7   3.039  -6.214  -0.216
   44   1HD   ARG   7          1HD       ARG   7   2.905  -5.581   2.755
   45   2HD   ARG   7          2HD       ARG   7   2.745  -7.174   1.995
   46    HE   ARG   7           HE       ARG   7   5.281  -5.858   1.417
   47   1HH1  ARG   7          2HH1      ARG   7   7.199  -6.782   2.299
   48   2HH1  ARG   7          1HH1      ARG   7   7.120  -7.486   3.888
   49   1HH2  ARG   7          2HH2      ARG   7   3.577  -7.637   3.988
   50   2HH2  ARG   7          1HH2      ARG   7   5.009  -8.296   4.676
   51    QB   ARG   7           QB       ARG   7   4.104  -4.061   0.657
   52    QG   ARG   7           QG       ARG   7   2.396  -5.790   0.219
   53    QD   ARG   7           QD       ARG   7   2.825  -6.378   2.375
   54    QH1  ARG   7           QH1      ARG   7   7.160  -7.134   3.094
   55    QH2  ARG   7           QH2      ARG   7   4.293  -7.966   4.332
   56    H    CYS   8           H        CYS   8   2.710  -0.816  -0.188
   57    HA   CYS   8           HA       CYS   8  -0.111  -0.802   0.619
   58   1HB   CYS   8          1HB       CYS   8   1.741  -0.557   2.495
   59   2HB   CYS   8          2HB       CYS   8   1.810   1.083   1.928
   60    QB   CYS   8           QB       CYS   8   1.776   0.263   2.212
   61    H    ALA   9           H        ALA   9   1.357  -0.240  -1.834
   62    HA   ALA   9           HA       ALA   9   0.515   2.446  -2.618
   63   1HB   ALA   9          1HB       ALA   9   0.758  -0.116  -4.260
   64   2HB   ALA   9          2HB       ALA   9   0.502   1.524  -4.898
   65   3HB   ALA   9          3HB       ALA   9   2.018   1.124  -4.052
   66    QB   ALA   9           QB       ALA   9   1.092   0.844  -4.403
   67    H    TRP  10           H        TRP  10  -0.956  -0.885  -2.858
   68    HA   TRP  10           HA       TRP  10  -3.471   0.093  -3.540
   69   1HB   TRP  10          1HB       TRP  10  -4.020  -2.007  -3.736
   70   2HB   TRP  10          2HB       TRP  10  -2.345  -2.320  -3.503
   71    HD1  TRP  10           HD       TRP  10  -1.720  -2.836  -0.723
   72    HE1  TRP  10          1HE       TRP  10  -2.940  -4.516   0.796
   73    HE3  TRP  10          3HE       TRP  10  -6.175  -3.079  -3.223
   74    HZ2  TRP  10          2HZ       TRP  10  -5.515  -5.831   0.878
   75    HZ3  TRP  10          3HZ       TRP  10  -7.975  -4.582  -2.430
   76    HH2  TRP  10           HH       TRP  10  -7.678  -5.937  -0.381
   77    QB   TRP  10           QB       TRP  10  -3.182  -2.163  -3.619
   78    H    ARG  11           H        ARG  11  -5.288   0.346  -2.417
   79    HA   ARG  11           HA       ARG  11  -6.516   1.514  -0.881
   80   1HB   ARG  11          1HB       ARG  11  -5.424  -0.787   0.766
   81   2HB   ARG  11          2HB       ARG  11  -6.681   0.293   1.371
   82   1HG   ARG  11          1HG       ARG  11  -8.220  -0.300  -0.362
   83   2HG   ARG  11          2HG       ARG  11  -6.987  -1.190  -1.260
   84   1HD   ARG  11          1HD       ARG  11  -8.431  -2.754  -0.131
   85   2HD   ARG  11          2HD       ARG  11  -6.810  -2.839   0.556
   86    HE   ARG  11           HE       ARG  11  -9.275  -1.772   1.811
   87   1HH1  ARG  11          2HH1      ARG  11  -9.372  -1.691   4.015
   88   2HH1  ARG  11          1HH1      ARG  11  -7.960  -1.897   5.018
   89   1HH2  ARG  11          2HH2      ARG  11  -5.784  -2.528   2.287
   90   2HH2  ARG  11          1HH2      ARG  11  -5.986  -2.555   4.023
   91    QB   ARG  11           QB       ARG  11  -6.053  -0.247   1.068
   92    QG   ARG  11           QG       ARG  11  -7.604  -0.745  -0.811
   93    QD   ARG  11           QD       ARG  11  -7.621  -2.796   0.212
   94    QH1  ARG  11           QH1      ARG  11  -8.666  -1.794   4.517
   95    QH2  ARG  11           QH2      ARG  11  -5.885  -2.541   3.155
   96    H    CYS  12           H        CYS  12  -3.408   2.332  -0.913
   97    HA   CYS  12           HA       CYS  12  -2.737   3.560   1.449
   98   1HB   CYS  12          2HB       CYS  12  -1.441   3.675  -0.642
   99   2HB   CYS  12          3HB       CYS  12  -2.702   4.663  -1.372
  100    QB   CYS  12           QB       CYS  12  -2.071   4.169  -1.007
   
  No H/Q in entry =         100
  Start of MODEL   17
    1   1H    GLY   1          3HN       GLY   1   4.461   7.991   2.960
    2   2H    GLY   1          1HN       GLY   1   4.101   8.703   4.406
    3   3H    GLY   1          2HN       GLY   1   4.863   7.244   4.353
    4   1HA   GLY   1          1HA       GLY   1   2.579   6.916   4.932
    5   2HA   GLY   1          2HA       GLY   1   2.119   7.803   3.464
    6    QA   GLY   1           QA       GLY   1   2.349   7.359   4.198
    7    H    CYS   2           H        CYS   2   1.013   5.352   3.664
    8    HA   CYS   2           HA       CYS   2   2.634   3.181   2.906
    9   1HB   CYS   2          1HB       CYS   2  -0.187   3.784   3.500
   10   2HB   CYS   2          2HB       CYS   2  -0.006   2.603   2.252
   11    QB   CYS   2           QB       CYS   2  -0.097   3.194   2.876
   12    H    CYS   3           H        CYS   3   1.183   5.695   0.872
   13    HA   CYS   3           HA       CYS   3   1.105   4.250  -1.579
   14   1HB   CYS   3          1HB       CYS   3   1.635   7.176  -0.974
   15   2HB   CYS   3          2HB       CYS   3   1.524   6.537  -2.596
   16    QB   CYS   3           QB       CYS   3   1.580   6.856  -1.785
   17    H    SER   4           H        SER   4   3.870   5.244   0.323
   18    HA   SER   4           HA       SER   4   5.705   4.925  -1.988
   19   1HB   SER   4          1HB       SER   4   6.199   5.999   0.808
   20   2HB   SER   4          2HB       SER   4   7.329   6.033  -0.564
   21    HG   SER   4           HG       SER   4   5.957   7.395  -1.663
   22    QB   SER   4           QB       SER   4   6.764   6.016   0.122
   23    H    ASP   5           H        ASP   5   4.272   2.896   0.226
   24    HA   ASP   5           HA       ASP   5   6.649   1.114   0.285
   25   1HB   ASP   5          1HB       ASP   5   5.552   1.116   2.440
   26   2HB   ASP   5          2HB       ASP   5   3.977   0.928   1.704
   27    QB   ASP   5           QB       ASP   5   4.765   1.022   2.072
   28    HA   PRO   6           HA       PRO   6   4.436   0.015  -3.493
   29   1HB   PRO   6          1HB       PRO   6   6.030  -2.014  -4.401
   30   2HB   PRO   6          2HB       PRO   6   6.472  -0.275  -4.488
   31   1HG   PRO   6          1HG       PRO   6   7.307  -2.266  -2.357
   32   2HG   PRO   6          2HG       PRO   6   8.355  -1.172  -3.316
   33   1HD   PRO   6          1HD       PRO   6   7.505  -0.488  -0.853
   34   2HD   PRO   6          2HD       PRO   6   7.581   0.750  -2.133
   35    QB   PRO   6           QB       PRO   6   6.251  -1.145  -4.444
   36    QG   PRO   6           QG       PRO   6   7.831  -1.719  -2.836
   37    QD   PRO   6           QD       PRO   6   7.543   0.131  -1.493
   38    H    ARG   7           H        ARG   7   4.997  -1.919  -0.686
   39    HA   ARG   7           HA       ARG   7   3.078  -3.998  -1.487
   40   1HB   ARG   7          1HB       ARG   7   5.387  -4.276  -0.364
   41   2HB   ARG   7          2HB       ARG   7   4.504  -3.849   1.092
   42   1HG   ARG   7          1HG       ARG   7   3.256  -5.791   1.116
   43   2HG   ARG   7          2HG       ARG   7   3.366  -6.011  -0.642
   44   1HD   ARG   7          1HD       ARG   7   5.685  -6.395   1.290
   45   2HD   ARG   7          2HD       ARG   7   4.674  -7.704   0.682
   46    HE   ARG   7           HE       ARG   7   6.762  -6.234  -0.710
   47   1HH1  ARG   7          2HH1      ARG   7   7.406  -7.003  -2.835
   48   2HH1  ARG   7          1HH1      ARG   7   6.493  -8.219  -3.632
   49   1HH2  ARG   7          2HH2      ARG   7   3.917  -8.321  -1.175
   50   2HH2  ARG   7          1HH2      ARG   7   4.467  -8.972  -2.687
   51    QB   ARG   7           QB       ARG   7   4.946  -4.062   0.364
   52    QG   ARG   7           QG       ARG   7   3.311  -5.901   0.237
   53    QD   ARG   7           QD       ARG   7   5.179  -7.050   0.986
   54    QH1  ARG   7           QH1      ARG   7   6.950  -7.611  -3.233
   55    QH2  ARG   7           QH2      ARG   7   4.192  -8.647  -1.931
   56    H    CYS   8           H        CYS   8   2.845  -0.965  -0.198
   57    HA   CYS   8           HA       CYS   8   0.264  -1.535   1.084
   58   1HB   CYS   8          1HB       CYS   8   2.317  -0.676   2.605
   59   2HB   CYS   8          2HB       CYS   8   1.846   0.867   1.927
   60    QB   CYS   8           QB       CYS   8   2.081   0.095   2.266
   61    H    ALA   9           H        ALA   9   1.245  -0.700  -1.534
   62    HA   ALA   9           HA       ALA   9   0.637   2.088  -1.980
   63   1HB   ALA   9          2HB       ALA   9   0.797  -0.269  -3.910
   64   2HB   ALA   9          3HB       ALA   9   0.622   1.424  -4.411
   65   3HB   ALA   9          1HB       ALA   9   2.084   0.912  -3.541
   66    QB   ALA   9           QB       ALA   9   1.167   0.689  -3.954
   67    H    TRP  10           H        TRP  10  -1.295  -0.973  -2.544
   68    HA   TRP  10           HA       TRP  10  -3.518   0.484  -3.459
   69   1HB   TRP  10          1HB       TRP  10  -4.404  -1.499  -3.785
   70   2HB   TRP  10          2HB       TRP  10  -2.780  -2.020  -3.664
   71    HD1  TRP  10           HD       TRP  10  -2.475  -2.388  -0.537
   72    HE1  TRP  10          1HE       TRP  10  -3.757  -4.222   0.696
   73    HE3  TRP  10          3HE       TRP  10  -6.310  -3.018  -3.850
   74    HZ2  TRP  10          2HZ       TRP  10  -6.041  -5.948   0.163
   75    HZ3  TRP  10          3HZ       TRP  10  -8.007  -4.790  -3.493
   76    HH2  TRP  10           HH       TRP  10  -7.876  -6.253  -1.494
   77    QB   TRP  10           QB       TRP  10  -3.592  -1.759  -3.725
   78    H    ARG  11           H        ARG  11  -5.250   1.084  -2.535
   79    HA   ARG  11           HA       ARG  11  -6.702   1.905  -1.133
   80   1HB   ARG  11          1HB       ARG  11  -7.432   1.007   0.826
   81   2HB   ARG  11          2HB       ARG  11  -7.002  -0.297  -0.233
   82   1HG   ARG  11          1HG       ARG  11  -6.554  -0.701   2.156
   83   2HG   ARG  11          2HG       ARG  11  -5.150  -0.932   1.136
   84   1HD   ARG  11          1HD       ARG  11  -4.269   1.294   1.888
   85   2HD   ARG  11          2HD       ARG  11  -5.735   1.528   2.854
   86    HE   ARG  11           HE       ARG  11  -4.927   0.114   4.453
   87   1HH1  ARG  11          2HH1      ARG  11  -3.243  -1.046   5.502
   88   2HH1  ARG  11          1HH1      ARG  11  -2.014  -1.846   4.600
   89   1HH2  ARG  11          2HH2      ARG  11  -2.958  -0.338   1.485
   90   2HH2  ARG  11          1HH2      ARG  11  -1.874  -1.452   2.269
   91    QB   ARG  11           QB       ARG  11  -7.217   0.355   0.296
   92    QG   ARG  11           QG       ARG  11  -5.852  -0.817   1.646
   93    QD   ARG  11           QD       ARG  11  -5.002   1.411   2.371
   94    QH1  ARG  11           QH1      ARG  11  -2.628  -1.446   5.051
   95    QH2  ARG  11           QH2      ARG  11  -2.416  -0.895   1.877
   96    H    CYS  12           H        CYS  12  -3.491   2.555  -0.885
   97    HA   CYS  12           HA       CYS  12  -3.868   4.855   0.909
   98   1HB   CYS  12          2HB       CYS  12  -1.613   3.789   0.543
   99   2HB   CYS  12          3HB       CYS  12  -1.744   4.229  -1.165
  100    QB   CYS  12           QB       CYS  12  -1.678   4.009  -0.311
   
  No H/Q in entry =         100
  Start of MODEL   18
    1   1H    GLY   1          1HN       GLY   1   4.651   7.675   3.532
    2   2H    GLY   1          2HN       GLY   1   3.495   8.267   2.507
    3   3H    GLY   1          3HN       GLY   1   3.659   8.894   4.019
    4   1HA   GLY   1          1HA       GLY   1   2.946   6.850   5.013
    5   2HA   GLY   1          2HA       GLY   1   1.739   7.461   3.870
    6    QA   GLY   1           QA       GLY   1   2.343   7.155   4.441
    7    H    CYS   2           H        CYS   2   1.331   4.961   4.261
    8    HA   CYS   2           HA       CYS   2   2.926   2.956   3.200
    9   1HB   CYS   2          1HB       CYS   2   0.238   3.295   4.235
   10   2HB   CYS   2          2HB       CYS   2   0.164   2.309   2.805
   11    QB   CYS   2           QB       CYS   2   0.201   2.802   3.520
   12    H    CYS   3           H        CYS   3   0.811   5.241   1.457
   13    HA   CYS   3           HA       CYS   3   0.350   3.945  -0.909
   14   1HB   CYS   3          1HB       CYS   3   1.192   6.825  -0.763
   15   2HB   CYS   3          2HB       CYS   3  -0.061   6.096  -1.769
   16    QB   CYS   3           QB       CYS   3   0.566   6.460  -1.266
   17    H    SER   4           H        SER   4   3.417   5.352   0.241
   18    HA   SER   4           HA       SER   4   4.709   5.348  -2.362
   19   1HB   SER   4          1HB       SER   4   5.859   5.527   0.460
   20   2HB   SER   4          2HB       SER   4   6.682   5.946  -1.048
   21    HG   SER   4           HG       SER   4   5.952   7.790  -0.138
   22    QB   SER   4           QB       SER   4   6.270   5.737  -0.294
   23    H    ASP   5           H        ASP   5   4.366   3.038   0.348
   24    HA   ASP   5           HA       ASP   5   6.865   1.657  -0.206
   25   1HB   ASP   5          1HB       ASP   5   6.073   1.625   2.064
   26   2HB   ASP   5          2HB       ASP   5   4.493   1.009   1.573
   27    QB   ASP   5           QB       ASP   5   5.283   1.317   1.818
   28    HA   PRO   6           HA       PRO   6   4.877  -0.490  -3.541
   29   1HB   PRO   6          1HB       PRO   6   6.784  -2.455  -4.086
   30   2HB   PRO   6          2HB       PRO   6   6.839  -0.753  -4.644
   31   1HG   PRO   6          1HG       PRO   6   8.198  -1.998  -2.262
   32   2HG   PRO   6          2HG       PRO   6   8.888  -0.864  -3.469
   33   1HD   PRO   6          1HD       PRO   6   8.034   0.004  -1.061
   34   2HD   PRO   6          2HD       PRO   6   7.739   0.974  -2.526
   35    QB   PRO   6           QB       PRO   6   6.812  -1.604  -4.365
   36    QG   PRO   6           QG       PRO   6   8.543  -1.431  -2.866
   37    QD   PRO   6           QD       PRO   6   7.887   0.489  -1.793
   38    H    ARG   7           H        ARG   7   5.296  -1.931  -0.421
   39    HA   ARG   7           HA       ARG   7   3.671  -4.263  -1.190
   40   1HB   ARG   7          1HB       ARG   7   5.721  -3.669   0.800
   41   2HB   ARG   7          2HB       ARG   7   4.260  -4.083   1.610
   42   1HG   ARG   7          1HG       ARG   7   5.392  -6.153   1.318
   43   2HG   ARG   7          2HG       ARG   7   4.168  -6.178   0.043
   44   1HD   ARG   7          1HD       ARG   7   6.292  -6.879  -0.901
   45   2HD   ARG   7          2HD       ARG   7   5.943  -5.271  -1.544
   46    HE   ARG   7           HE       ARG   7   7.616  -4.313  -0.163
   47   1HH1  ARG   7          2HH1      ARG   7   9.225  -4.296   1.402
   48   2HH1  ARG   7          1HH1      ARG   7   9.912  -5.799   1.943
   49   1HH2  ARG   7          2HH2      ARG   7   7.575  -7.834   0.259
   50   2HH2  ARG   7          1HH2      ARG   7   8.732  -7.814   1.550
   51    QB   ARG   7           QB       ARG   7   4.991  -3.876   1.205
   52    QG   ARG   7           QG       ARG   7   4.780  -6.165   0.680
   53    QD   ARG   7           QD       ARG   7   6.117  -6.075  -1.222
   54    QH1  ARG   7           QH1      ARG   7   9.568  -5.047   1.673
   55    QH2  ARG   7           QH2      ARG   7   8.154  -7.824   0.905
   56    H    CYS   8           H        CYS   8   3.209  -1.089  -0.339
   57    HA   CYS   8           HA       CYS   8   0.661  -1.661   0.999
   58   1HB   CYS   8          1HB       CYS   8   2.793  -1.045   2.498
   59   2HB   CYS   8          2HB       CYS   8   2.350   0.585   2.026
   60    QB   CYS   8           QB       CYS   8   2.572  -0.230   2.262
   61    H    ALA   9           H        ALA   9   1.573  -0.598  -1.567
   62    HA   ALA   9           HA       ALA   9   0.178   1.987  -1.779
   63   1HB   ALA   9          2HB       ALA   9   2.138   1.554  -3.189
   64   2HB   ALA   9          3HB       ALA   9   1.249   0.239  -4.014
   65   3HB   ALA   9          1HB       ALA   9   0.677   1.919  -4.137
   66    QB   ALA   9           QB       ALA   9   1.355   1.237  -3.780
   67    H    TRP  10           H        TRP  10  -1.554   0.312  -0.612
   68    HA   TRP  10           HA       TRP  10  -3.496  -0.889  -2.326
   69   1HB   TRP  10          1HB       TRP  10  -4.507  -1.325  -0.336
   70   2HB   TRP  10          2HB       TRP  10  -2.847  -1.313   0.154
   71    HD1  TRP  10           HD       TRP  10  -2.308   1.676   0.831
   72    HE1  TRP  10          1HE       TRP  10  -3.616   3.015   2.496
   73    HE3  TRP  10          3HE       TRP  10  -6.552  -1.218   1.103
   74    HZ2  TRP  10          2HZ       TRP  10  -6.059   2.789   4.018
   75    HZ3  TRP  10          3HZ       TRP  10  -8.408  -0.496   2.582
   76    HH2  TRP  10           HH       TRP  10  -8.157   1.468   4.066
   77    QB   TRP  10           QB       TRP  10  -3.677  -1.319  -0.091
   78    H    ARG  11           H        ARG  11  -5.524   0.581  -0.795
   79    HA   ARG  11           HA       ARG  11  -6.323   2.717  -2.556
   80   1HB   ARG  11          1HB       ARG  11  -7.629   0.996  -1.029
   81   2HB   ARG  11          2HB       ARG  11  -7.440   2.207   0.229
   82   1HG   ARG  11          1HG       ARG  11  -8.725   3.830  -1.068
   83   2HG   ARG  11          2HG       ARG  11  -8.686   2.791  -2.500
   84   1HD   ARG  11          1HD       ARG  11 -10.075   2.134   0.129
   85   2HD   ARG  11          2HD       ARG  11 -10.888   2.694  -1.330
   86    HE   ARG  11           HE       ARG  11  -9.946   0.018  -0.711
   87   1HH1  ARG  11          2HH1      ARG  11  -9.513  -1.536  -2.316
   88   2HH1  ARG  11          1HH1      ARG  11  -9.884  -1.232  -3.981
   89   1HH2  ARG  11          2HH2      ARG  11 -11.131   2.047  -3.373
   90   2HH2  ARG  11          1HH2      ARG  11 -10.912   0.823  -4.578
   91    QB   ARG  11           QB       ARG  11  -7.535   1.601  -0.400
   92    QG   ARG  11           QG       ARG  11  -8.706   3.311  -1.784
   93    QD   ARG  11           QD       ARG  11 -10.482   2.414  -0.600
   94    QH1  ARG  11           QH1      ARG  11  -9.698  -1.384  -3.148
   95    QH2  ARG  11           QH2      ARG  11 -11.022   1.435  -3.976
   96    H    CYS  12           H        CYS  12  -3.647   3.237  -1.396
   97    HA   CYS  12           HA       CYS  12  -2.398   4.587  -0.240
   98   1HB   CYS  12          2HB       CYS  12  -3.000   5.895  -2.195
   99   2HB   CYS  12          3HB       CYS  12  -4.357   6.621  -1.323
  100    QB   CYS  12           QB       CYS  12  -3.678   6.258  -1.759
   
  No H/Q in entry =         100
  Start of MODEL   19
    1   1H    GLY   1          2HN       GLY   1   5.135   7.754   4.076
    2   2H    GLY   1          3HN       GLY   1   4.567   8.523   2.746
    3   3H    GLY   1          1HN       GLY   1   4.424   9.233   4.227
    4   1HA   GLY   1          1HA       GLY   1   2.901   7.572   4.963
    5   2HA   GLY   1          2HA       GLY   1   2.327   8.329   3.457
    6    QA   GLY   1           QA       GLY   1   2.614   7.950   4.210
    7    H    CYS   2           H        CYS   2   1.191   5.979   3.899
    8    HA   CYS   2           HA       CYS   2   2.823   3.698   3.482
    9   1HB   CYS   2          1HB       CYS   2   0.214   4.056   4.278
   10   2HB   CYS   2          2HB       CYS   2   0.003   3.317   2.699
   11    QB   CYS   2           QB       CYS   2   0.108   3.686   3.488
   12    H    CYS   3           H        CYS   3   1.287   5.817   1.005
   13    HA   CYS   3           HA       CYS   3   1.227   3.818  -1.019
   14   1HB   CYS   3          1HB       CYS   3   1.649   6.750  -1.538
   15   2HB   CYS   3          2HB       CYS   3   0.810   5.584  -2.542
   16    QB   CYS   3           QB       CYS   3   1.229   6.167  -2.040
   17    H    SER   4           H        SER   4   3.979   5.524   0.307
   18    HA   SER   4           HA       SER   4   5.648   5.227  -2.094
   19   1HB   SER   4          1HB       SER   4   6.208   6.004   0.789
   20   2HB   SER   4          2HB       SER   4   7.461   5.890  -0.461
   21    HG   SER   4           HG       SER   4   6.708   7.552  -1.485
   22    QB   SER   4           QB       SER   4   6.834   5.947   0.164
   23    H    ASP   5           H        ASP   5   4.564   3.095   0.423
   24    HA   ASP   5           HA       ASP   5   6.877   1.282   0.236
   25   1HB   ASP   5          1HB       ASP   5   5.843   1.605   2.445
   26   2HB   ASP   5          2HB       ASP   5   4.252   1.203   1.787
   27    QB   ASP   5           QB       ASP   5   5.048   1.404   2.116
   28    HA   PRO   6           HA       PRO   6   4.518  -0.139  -3.365
   29   1HB   PRO   6          1HB       PRO   6   6.058  -2.401  -3.980
   30   2HB   PRO   6          2HB       PRO   6   6.386  -0.738  -4.522
   31   1HG   PRO   6          1HG       PRO   6   7.585  -2.240  -2.206
   32   2HG   PRO   6          2HG       PRO   6   8.401  -1.145  -3.364
   33   1HD   PRO   6          1HD       PRO   6   7.688  -0.368  -0.858
   34   2HD   PRO   6          2HD       PRO   6   7.610   0.777  -2.221
   35    QB   PRO   6           QB       PRO   6   6.222  -1.569  -4.251
   36    QG   PRO   6           QG       PRO   6   7.993  -1.692  -2.785
   37    QD   PRO   6           QD       PRO   6   7.649   0.204  -1.539
   38    H    ARG   7           H        ARG   7   5.051  -1.870  -0.430
   39    HA   ARG   7           HA       ARG   7   3.317  -4.132  -1.046
   40   1HB   ARG   7          1HB       ARG   7   5.429  -3.819   0.504
   41   2HB   ARG   7          2HB       ARG   7   4.202  -3.445   1.679
   42   1HG   ARG   7          1HG       ARG   7   4.475  -6.023   0.057
   43   2HG   ARG   7          2HG       ARG   7   5.095  -5.779   1.681
   44   1HD   ARG   7          1HD       ARG   7   2.223  -6.055   0.813
   45   2HD   ARG   7          2HD       ARG   7   3.154  -7.035   1.961
   46    HE   ARG   7           HE       ARG   7   3.051  -4.383   2.955
   47   1HH1  ARG   7          2HH1      ARG   7   1.418  -3.357   3.953
   48   2HH1  ARG   7          1HH1      ARG   7  -0.079  -4.143   4.354
   49   1HH2  ARG   7          2HH2      ARG   7   0.770  -7.110   2.547
   50   2HH2  ARG   7          1HH2      ARG   7  -0.553  -6.164   3.193
   51    QB   ARG   7           QB       ARG   7   4.815  -3.632   1.091
   52    QG   ARG   7           QG       ARG   7   4.785  -5.901   0.869
   53    QD   ARG   7           QD       ARG   7   2.688  -6.545   1.387
   54    QH1  ARG   7           QH1      ARG   7   0.669  -3.750   4.153
   55    QH2  ARG   7           QH2      ARG   7   0.109  -6.637   2.870
   56    H    CYS   8           H        CYS   8   2.797  -0.946  -0.266
   57    HA   CYS   8           HA       CYS   8   0.134  -1.434   0.904
   58   1HB   CYS   8          1HB       CYS   8   2.198  -0.300   2.225
   59   2HB   CYS   8          2HB       CYS   8   1.642   1.108   1.351
   60    QB   CYS   8           QB       CYS   8   1.920   0.404   1.788
   61    H    ALA   9           H        ALA   9   0.807  -1.107  -1.914
   62    HA   ALA   9           HA       ALA   9   0.535   1.663  -2.700
   63   1HB   ALA   9          2HB       ALA   9   1.578  -0.017  -4.152
   64   2HB   ALA   9          3HB       ALA   9   0.011  -0.848  -4.348
   65   3HB   ALA   9          1HB       ALA   9   0.221   0.803  -4.974
   66    QB   ALA   9           QB       ALA   9   0.603  -0.020  -4.491
   67    H    TRP  10           H        TRP  10  -1.886  -1.039  -3.255
   68    HA   TRP  10           HA       TRP  10  -3.995   0.733  -3.747
   69   1HB   TRP  10          1HB       TRP  10  -5.227  -1.241  -3.812
   70   2HB   TRP  10          2HB       TRP  10  -3.699  -1.620  -4.510
   71    HD1  TRP  10           HD       TRP  10  -1.969  -2.963  -2.618
   72    HE1  TRP  10          1HE       TRP  10  -2.548  -4.822  -0.975
   73    HE3  TRP  10          3HE       TRP  10  -7.033  -2.300  -2.477
   74    HZ2  TRP  10          2HZ       TRP  10  -4.986  -6.029   0.105
   75    HZ3  TRP  10          3HZ       TRP  10  -8.464  -3.849  -1.186
   76    HH2  TRP  10           HH       TRP  10  -7.459  -5.745   0.061
   77    QB   TRP  10           QB       TRP  10  -4.463  -1.430  -4.161
   78    H    ARG  11           H        ARG  11  -5.553   1.401  -2.414
   79    HA   ARG  11           HA       ARG  11  -6.347   2.379  -0.512
   80   1HB   ARG  11          1HB       ARG  11  -7.057  -0.177  -0.540
   81   2HB   ARG  11          2HB       ARG  11  -6.002  -0.292   0.869
   82   1HG   ARG  11          1HG       ARG  11  -7.410   1.727   1.798
   83   2HG   ARG  11          2HG       ARG  11  -8.514   1.368   0.466
   84   1HD   ARG  11          1HD       ARG  11  -8.765  -0.958   1.347
   85   2HD   ARG  11          2HD       ARG  11  -7.668  -0.554   2.678
   86    HE   ARG  11           HE       ARG  11  -9.259   0.795   3.677
   87   1HH1  ARG  11          2HH1      ARG  11 -11.146   2.043   3.691
   88   2HH1  ARG  11          1HH1      ARG  11 -12.438   1.787   2.583
   89   1HH2  ARG  11          2HH2      ARG  11 -10.677  -0.770   0.803
   90   2HH2  ARG  11          1HH2      ARG  11 -12.131   0.169   0.844
   91    QB   ARG  11           QB       ARG  11  -6.530  -0.234   0.164
   92    QG   ARG  11           QG       ARG  11  -7.962   1.547   1.132
   93    QD   ARG  11           QD       ARG  11  -8.217  -0.756   2.013
   94    QH1  ARG  11           QH1      ARG  11 -11.792   1.915   3.137
   95    QH2  ARG  11           QH2      ARG  11 -11.404  -0.301   0.823
   96    H    CYS  12           H        CYS  12  -3.150   2.392  -0.633
   97    HA   CYS  12           HA       CYS  12  -1.988   2.231   1.754
   98   1HB   CYS  12          2HB       CYS  12  -1.130   4.707   1.352
   99   2HB   CYS  12          3HB       CYS  12  -0.542   3.356   0.425
  100    QB   CYS  12           QB       CYS  12  -0.836   4.031   0.889
   
  No H/Q in entry =         100
  Start of MODEL   20
    1   1H    GLY   1          2HN       GLY   1   3.333   8.632   2.450
    2   2H    GLY   1          3HN       GLY   1   3.359   9.322   3.951
    3   3H    GLY   1          1HN       GLY   1   4.471   8.172   3.532
    4   1HA   GLY   1          1HA       GLY   1   2.817   7.249   4.980
    5   2HA   GLY   1          2HA       GLY   1   1.585   7.763   3.809
    6    QA   GLY   1           QA       GLY   1   2.201   7.506   4.394
    7    H    CYS   2           H        CYS   2   1.283   5.265   4.182
    8    HA   CYS   2           HA       CYS   2   2.858   3.314   3.099
    9   1HB   CYS   2          1HB       CYS   2   0.109   3.695   3.965
   10   2HB   CYS   2          2HB       CYS   2   0.139   2.715   2.531
   11    QB   CYS   2           QB       CYS   2   0.124   3.205   3.248
   12    H    CYS   3           H        CYS   3   1.021   5.737   1.190
   13    HA   CYS   3           HA       CYS   3   0.842   4.202  -1.186
   14   1HB   CYS   3          1HB       CYS   3   1.339   7.186  -1.065
   15   2HB   CYS   3          2HB       CYS   3   0.662   6.268  -2.396
   16    QB   CYS   3           QB       CYS   3   1.001   6.727  -1.731
   17    H    SER   4           H        SER   4   3.701   5.468   0.336
   18    HA   SER   4           HA       SER   4   5.269   5.412  -2.141
   19   1HB   SER   4          1HB       SER   4   5.460   7.020  -0.068
   20   2HB   SER   4          2HB       SER   4   6.365   5.691   0.672
   21    HG   SER   4           HG       SER   4   7.909   5.888  -0.855
   22    QB   SER   4           QB       SER   4   5.912   6.355   0.302
   23    H    ASP   5           H        ASP   5   4.188   3.025   0.140
   24    HA   ASP   5           HA       ASP   5   6.691   1.453  -0.005
   25   1HB   ASP   5          1HB       ASP   5   5.682   1.686   2.211
   26   2HB   ASP   5          2HB       ASP   5   4.137   1.101   1.604
   27    QB   ASP   5           QB       ASP   5   4.910   1.394   1.907
   28    HA   PRO   6           HA       PRO   6   4.621  -0.528  -3.380
   29   1HB   PRO   6          1HB       PRO   6   6.317  -2.600  -3.994
   30   2HB   PRO   6          2HB       PRO   6   6.708  -0.880  -4.294
   31   1HG   PRO   6          1HG       PRO   6   7.508  -2.571  -1.900
   32   2HG   PRO   6          2HG       PRO   6   8.558  -1.545  -2.935
   33   1HD   PRO   6          1HD       PRO   6   7.565  -0.631  -0.576
   34   2HD   PRO   6          2HD       PRO   6   7.684   0.451  -1.999
   35    QB   PRO   6           QB       PRO   6   6.513  -1.740  -4.144
   36    QG   PRO   6           QG       PRO   6   8.033  -2.058  -2.418
   37    QD   PRO   6           QD       PRO   6   7.625  -0.090  -1.288
   38    H    ARG   7           H        ARG   7   4.885  -2.082  -0.296
   39    HA   ARG   7           HA       ARG   7   3.144  -4.307  -1.117
   40   1HB   ARG   7          1HB       ARG   7   5.211  -4.543   0.404
   41   2HB   ARG   7          2HB       ARG   7   4.148  -3.824   1.616
   42   1HG   ARG   7          1HG       ARG   7   2.549  -5.643   1.404
   43   2HG   ARG   7          2HG       ARG   7   3.422  -6.282   0.010
   44   1HD   ARG   7          1HD       ARG   7   3.988  -7.683   1.833
   45   2HD   ARG   7          2HD       ARG   7   5.408  -6.675   1.526
   46    HE   ARG   7           HE       ARG   7   3.582  -5.612   3.567
   47   1HH1  ARG   7          2HH1      ARG   7   4.250  -5.603   5.754
   48   2HH1  ARG   7          1HH1      ARG   7   5.555  -6.646   6.266
   49   1HH2  ARG   7          2HH2      ARG   7   6.330  -7.815   3.042
   50   2HH2  ARG   7          1HH2      ARG   7   6.728  -7.923   4.725
   51    QB   ARG   7           QB       ARG   7   4.679  -4.183   1.010
   52    QG   ARG   7           QG       ARG   7   2.986  -5.962   0.707
   53    QD   ARG   7           QD       ARG   7   4.698  -7.179   1.680
   54    QH1  ARG   7           QH1      ARG   7   4.903  -6.125   6.010
   55    QH2  ARG   7           QH2      ARG   7   6.529  -7.869   3.883
   56    H    CYS   8           H        CYS   8   2.894  -1.122  -0.234
   57    HA   CYS   8           HA       CYS   8   0.218  -1.511   0.988
   58   1HB   CYS   8          1HB       CYS   8   2.386  -0.702   2.396
   59   2HB   CYS   8          2HB       CYS   8   1.911   0.838   1.721
   60    QB   CYS   8           QB       CYS   8   2.149   0.068   2.058
   61    H    ALA   9           H        ALA   9   1.079  -0.860  -1.725
   62    HA   ALA   9           HA       ALA   9   0.768   1.986  -2.059
   63   1HB   ALA   9          2HB       ALA   9   2.097   0.617  -3.605
   64   2HB   ALA   9          3HB       ALA   9   0.589  -0.150  -4.208
   65   3HB   ALA   9          1HB       ALA   9   0.862   1.595  -4.428
   66    QB   ALA   9           QB       ALA   9   1.183   0.687  -4.080
   67    H    TRP  10           H        TRP  10  -1.488  -0.766  -3.066
   68    HA   TRP  10           HA       TRP  10  -3.574   1.002  -3.715
   69   1HB   TRP  10          1HB       TRP  10  -4.737  -0.933  -4.040
   70   2HB   TRP  10          2HB       TRP  10  -3.141  -1.338  -4.524
   71    HD1  TRP  10           HD       TRP  10  -1.785  -3.006  -2.689
   72    HE1  TRP  10          1HE       TRP  10  -2.678  -4.757  -1.035
   73    HE3  TRP  10          3HE       TRP  10  -6.698  -1.581  -2.537
   74    HZ2  TRP  10          2HZ       TRP  10  -5.201  -5.537   0.047
   75    HZ3  TRP  10          3HZ       TRP  10  -8.330  -2.857  -1.151
   76    HH2  TRP  10           HH       TRP  10  -7.602  -4.855   0.112
   77    QB   TRP  10           QB       TRP  10  -3.939  -1.135  -4.282
   78    H    ARG  11           H        ARG  11  -5.138   1.665  -2.525
   79    HA   ARG  11           HA       ARG  11  -6.165   2.562  -0.641
   80   1HB   ARG  11          1HB       ARG  11  -6.960   0.088  -0.934
   81   2HB   ARG  11          2HB       ARG  11  -5.990  -0.229   0.500
   82   1HG   ARG  11          1HG       ARG  11  -7.454   1.762   1.532
   83   2HG   ARG  11          2HG       ARG  11  -8.488   1.442   0.140
   84   1HD   ARG  11          1HD       ARG  11  -9.423   0.098   1.804
   85   2HD   ARG  11          2HD       ARG  11  -8.449  -1.047   0.891
   86    HE   ARG  11           HE       ARG  11  -7.874   0.183   3.530
   87   1HH1  ARG  11          2HH1      ARG  11  -6.347  -0.936   4.922
   88   2HH1  ARG  11          1HH1      ARG  11  -5.602  -2.418   4.341
   89   1HH2  ARG  11          2HH2      ARG  11  -6.957  -2.340   1.138
   90   2HH2  ARG  11          1HH2      ARG  11  -5.869  -3.123   2.244
   91    QB   ARG  11           QB       ARG  11  -6.475  -0.071  -0.217
   92    QG   ARG  11           QG       ARG  11  -7.971   1.602   0.836
   93    QD   ARG  11           QD       ARG  11  -8.936  -0.475   1.347
   94    QH1  ARG  11           QH1      ARG  11  -5.975  -1.677   4.632
   95    QH2  ARG  11           QH2      ARG  11  -6.413  -2.732   1.691
   96    H    CYS  12           H        CYS  12  -3.165   2.670  -0.613
   97    HA   CYS  12           HA       CYS  12  -1.924   2.249   1.673
   98   1HB   CYS  12          2HB       CYS  12  -1.122   4.762   1.347
   99   2HB   CYS  12          3HB       CYS  12  -0.651   3.448   0.282
  100    QB   CYS  12           QB       CYS  12  -0.886   4.105   0.815
  
  No H/Q in entry =         100