*HEADER    PROTEASE INHIBITOR                      09-DEC-02   1O8Y
*TITLE     SOLUTION STRUCTURE OF SFTI-1(6,5), AN ACYCLIC PERMUTANT OF
*TITLE    2 THE PROTEINASE INHIBITOR SFTI-1, TRANS-TRANS-TRANS
*TITLE    3 CONFORMER (TT-A)
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CYCLIC TRYPSIN INHIBITOR;
*COMPND   3 SYNONYM: SFTI-1;
*COMPND   4 CHAIN: A;
*COMPND   5 OTHER_DETAILS: ACYCLIC PERMUTANT OF SFTI-1, OPEN BETWEEN
*COMPND   6  RESIDUES K5 AND S6
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS L.;
*SOURCE   4 ORGANISM_COMMON: SUNFLOWER;
*SOURCE   5 TISSUE: SEED
*KEYWDS    BOWMAN-BIRK INHIBITOR, SFTI-1, ACYCLIC PERMUTANT
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    U.C.MARX,D.J.CRAIK
*REVDAT   1   13-MAR-03 1O8Y    0




!NOE restraints:
assign (resid 13 and name HN) (resid 5 and name HN)  0.0 0.0 3.5
assign (resid 7 and name HN) (resid 11 and name HN)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 14 and name HN)  0.0 0.0 5.0
assign (resid 10 and name HN) (resid 9 and name HN)  0.0 0.0 2.7
assign (resid 10 and name HN) (resid 11 and name HN)  0.0 0.0 2.7
assign (resid 11 and name HN) (resid 12 and name HN)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 7 and name HN)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HN)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 12 and name HA)  0.0 0.0 2.7
assign (resid 7 and name HN) (resid 12 and name HA)  0.0 0.0 3.5
assign (resid 7 and name HN) (resid 6 and name HA)  0.0 0.0 2.7
assign (resid 6 and name HN) (resid 12 and name HA)  0.0 0.0 5.0
assign (resid 10 and name HN) (resid 9 and name HA)  0.0 0.0 3.5
assign (resid 12 and name HN) (resid 11 and name HA)  0.0 0.0 2.7
assign (resid 14 and name HN) (resid 13 and name HB)  0.0 0.0 3.5
assign (resid 14 and name HN) (resid 13 and name HA)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HA)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 8 and name HD2)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 8 and name HD1)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 5 and name HG2*)  0.0 0.0 3.5
assign (resid 7 and name HE*) (resid 5 and name HG2*)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 13 and name HG2*)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 11 and name HB2)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 11 and name HB1)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 12 and name HA)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 6 and name HA)  0.0 0.0 5.0
assign (resid 11 and name HN) (resid 10 and name HA2)  0.0 0.0 3.5
assign (resid 11 and name HN) (resid 10 and name HA1)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HD2)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HA)  0.0 0.0 2.7
assign (resid 2 and name HN) (resid 3 and name HD2)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 12 and name HB2)  0.0 0.0 3.5
assign (resid 13 and name HN) (resid 12 and name HB1)  0.0 0.0 5.0
assign (resid 9 and name HN) (resid 8 and name HB1)  0.0 0.0 5.0
assign (resid 9 and name HN) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 7 and name HB2)  0.0 0.0 3.5
assign (resid 11 and name HN) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 11 and name HN) (resid 7 and name HB1)  0.0 0.0 5.0
assign (resid 7 and name HN) (resid 6 and name HB*)  0.0 0.0 3.5
assign (resid 6 and name HN) (resid 5 and name HB)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HG2*)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HB2)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HG1)  0.0 0.0 5.0
assign (resid 14 and name HN) (resid 13 and name HG2*)  0.0 0.0 5.0
assign (resid 12 and name HN) (resid 11 and name HG*)  0.0 0.0 5.0
assign (resid 12 and name HA) (resid 6 and name HA)  0.0 0.0 3.5
assign (resid 12 and name HA) (resid 6 and name HB*)  0.0 0.0 5.0
assign (resid 6 and name HA) (resid 12 and name HB2)  0.0 0.0 5.0
assign (resid 7 and name HA) (resid 8 and name HD2)  0.0 0.0 3.5
assign (resid 7 and name HA) (resid 8 and name HD1)  0.0 0.0 2.7
assign (resid 10 and name HN) (resid 8 and name HA)  0.0 0.0 3.5
assign (resid 8 and name HD1) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 8 and name HD2) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 8 and name HD1) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 8 and name HD2) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 5 and name HA) (resid 6 and name HB*)  0.0 0.0 5.0
assign (resid 5 and name HN) (resid 4 and name HA)  0.0 0.0 2.7
assign (resid 2 and name HN) (resid 1 and name HA)  0.0 0.0 2.7
assign (resid 2 and name HN) (resid 1 and name HB2)  0.0 0.0 3.5
assign (resid 2 and name HN) (resid 1 and name HB1)  0.0 0.0 3.5
assign (resid 5 and name HN) (resid 4 and name HB1)  0.0 0.0 3.5
assign (resid 5 and name HN) (resid 4 and name HB2)  0.0 0.0 3.5
assign (resid 3 and name HA) (resid 4 and name HD2)  0.0 0.0 2.7
assign (resid 3 and name HA) (resid 4 and name HD1)  0.0 0.0 2.7
assign (resid 2 and name HA) (resid 3 and name HD2)  0.0 0.0 2.7
assign (resid 2 and name HA) (resid 3 and name HD1)  0.0 0.0 2.7
assign (resid 2 and name HA) (resid 1 and name HA)  0.0 0.0 5.0
assign (resid 4 and name HD1) (resid 3 and name HB1)  0.0 0.0 5.0
assign (resid 4 and name HD2) (resid 3 and name HB1)  0.0 0.0 3.5
assign (resid 2 and name HA) (resid 3 and name HG2)  0.0 0.0 5.0
assign (resid 2 and name HA) (resid 3 and name HG1)  0.0 0.0 5.0
assign (resid 3 and name HD1) (resid 2 and name HG2*)  0.0 0.0 3.5
assign (resid 3 and name HD2) (resid 2 and name HG2*)  0.0 0.0 3.5
!Dihedral angle restraints:
assign  (resid 11 and name c)  (resid 12 and name n)
(resid 12 and name ca)  (resid 12 and name c)  10 -120.0 40.0 2
assign  (resid 5 and name c)  (resid 6 and name n)
(resid 6 and name ca)  (resid 6 and name c)  10 -120.0 40.0 2
assign  (resid 4 and name c)  (resid 5 and name n)
(resid 5 and name ca)  (resid 5 and name c)  10 -120.0 40.0 2
assign  (resid 12 and name n)  (resid 12 and name ca)
(resid 12 and name cb)  (resid 12 and name sg)  10 -60.0 30.0 2
assign  (resid 7 and name n)  (resid 7 and name ca)
(resid 7 and name cb)  (resid 7 and name cg)  10 -60.0 30.0 2
assign  (resid 9 and name n)  (resid 9 and name ca)
(resid 9 and name cb)  (resid 9 and name cg)  10 60.0 30.0 2
!H-bonds:
assign (resid  5 and name hn ) (resid   13 and name og1) 0.0 0.0 2.3
assign (resid  5 and name n  ) (resid   13 and name og1) 0.0 0.0 3.1

assign (resid  10 and name hn ) (resid   7 and name o) 0.0 0.0 2.3
assign (resid  10 and name n  ) (resid   7 and name o) 0.0 0.0 3.1

assign (resid  7 and name hn ) (resid   11 and name o) 0.0 0.0 2.3
assign (resid  7 and name n  ) (resid   11 and name o) 0.0 0.0 3.1

assign (resid  11 and name hn ) (resid   9 and name od1) 0.0 0.0 2.3
assign (resid  11 and name n  ) (resid   9 and name od1) 0.0 0.0 3.1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1          3H        SER   1  -9.206   5.654  -9.017
    2    H2   SER   1          2H        SER   1 -10.795   5.429  -8.462
    3    H3   SER   1          1H        SER   1 -10.503   5.744 -10.106
    4    HA   SER   1           HA       SER   1 -11.109   7.839  -9.463
    5   1HB   SER   1          2HB       SER   1  -9.776   7.267  -6.801
    6   2HB   SER   1          1HB       SER   1 -10.946   8.537  -7.159
    7    HG   SER   1           HG       SER   1 -12.489   6.926  -7.547
    8    H    ILE   2           HN       ILE   2  -9.654   9.850  -8.487
    9    HA   ILE   2           HA       ILE   2  -7.435  10.159 -10.224
   10    HB   ILE   2           HB       ILE   2  -6.920  12.054  -8.563
   11   1HG1  ILE   2          2HG1      ILE   2  -9.558  11.420  -7.310
   12   2HG1  ILE   2          1HG1      ILE   2  -8.142  10.538  -6.736
   13   1HG2  ILE   2          2HG2      ILE   2  -8.859  11.773 -10.505
   14   2HG2  ILE   2          1HG2      ILE   2  -9.796  12.316  -9.114
   15   3HG2  ILE   2          3HG2      ILE   2  -8.446  13.288  -9.701
   16   1HD1  ILE   2          1HD1      ILE   2  -7.725  13.442  -7.062
   17   2HD1  ILE   2          3HD1      ILE   2  -8.898  13.008  -5.819
   18   3HD1  ILE   2          2HD1      ILE   2  -7.253  12.380  -5.736
   19    HA   PRO   3           HA       PRO   3  -4.088   8.005  -8.355
   20   1HB   PRO   3          2HB       PRO   3  -2.237  10.189  -8.644
   21   2HB   PRO   3          1HB       PRO   3  -2.409   8.765  -9.673
   22   1HG   PRO   3          2HG       PRO   3  -3.147  11.475 -10.273
   23   2HG   PRO   3          1HG       PRO   3  -3.319  10.052 -11.302
   24   1HD   PRO   3          2HD       PRO   3  -5.404  11.528  -9.956
   25   2HD   PRO   3          1HD       PRO   3  -5.577  10.093 -10.994
   26    HA   PRO   4           HA       PRO   4  -3.763   9.229  -4.136
   27   1HB   PRO   4          2HB       PRO   4  -0.970   8.579  -3.901
   28   2HB   PRO   4          1HB       PRO   4  -2.358   7.613  -3.396
   29   1HG   PRO   4          2HG       PRO   4  -0.590   7.139  -5.609
   30   2HG   PRO   4          1HG       PRO   4  -1.978   6.173  -5.104
   31   1HD   PRO   4          2HD       PRO   4  -1.754   7.872  -7.427
   32   2HD   PRO   4          1HD       PRO   4  -3.153   6.899  -6.918
   33    H    ILE   5           HN       ILE   5  -2.996  11.008  -2.866
   34    HA   ILE   5           HA       ILE   5  -1.218  12.934  -4.329
   35    HB   ILE   5           HB       ILE   5  -3.500  13.432  -2.388
   36   1HG1  ILE   5          2HG1      ILE   5  -3.366  13.819  -5.394
   37   2HG1  ILE   5          1HG1      ILE   5  -4.210  12.496  -4.589
   38   1HG2  ILE   5          1HG2      ILE   5  -1.585  15.135  -2.545
   39   2HG2  ILE   5          3HG2      ILE   5  -2.117  15.416  -4.203
   40   3HG2  ILE   5          2HG2      ILE   5  -3.208  15.750  -2.858
   41   1HD1  ILE   5          1HD1      ILE   5  -4.796  15.384  -3.923
   42   2HD1  ILE   5          3HD1      ILE   5  -5.617  14.556  -5.247
   43   3HD1  ILE   5          2HD1      ILE   5  -5.788  13.963  -3.595
   44    H    CYS   6           HN       CYS   6   0.565  13.664  -3.197
   45    HA   CYS   6           HA       CYS   6   0.858  12.739  -0.363
   46   1HB   CYS   6          2HB       CYS   6   2.781  13.344  -2.621
   47   2HB   CYS   6          1HB       CYS   6   3.327  13.096  -0.963
   48    H    PHE   7           HN       PHE   7   1.755  14.249   1.174
   49    HA   PHE   7           HA       PHE   7   1.490  17.123   0.349
   50   1HB   PHE   7          2HB       PHE   7   1.014  15.720   2.999
   51   2HB   PHE   7          1HB       PHE   7   0.835  17.454   2.734
   52    HD1  PHE   7           HD1      PHE   7  -0.368  17.506   0.024
   53    HD2  PHE   7           HD2      PHE   7  -1.192  14.962   3.386
   54    HE1  PHE   7           HE1      PHE   7  -2.672  17.139  -0.818
   55    HE2  PHE   7           HE2      PHE   7  -3.496  14.595   2.544
   56    HZ   PHE   7           HZ       PHE   7  -4.236  15.684   0.442
   57    HA   PRO   8           HA       PRO   8   5.648  17.930   1.517
   58   1HB   PRO   8          2HB       PRO   8   5.028  20.160   3.227
   59   2HB   PRO   8          1HB       PRO   8   5.595  20.195   1.556
   60   1HG   PRO   8          2HG       PRO   8   2.973  20.828   2.545
   61   2HG   PRO   8          1HG       PRO   8   3.540  20.864   0.874
   62   1HD   PRO   8          2HD       PRO   8   1.736  18.968   2.092
   63   2HD   PRO   8          1HD       PRO   8   2.308  19.003   0.408
   64    H    ASP   9           HN       ASP   9   3.233  17.255   3.861
   65    HA   ASP   9           HA       ASP   9   4.905  17.354   6.242
   66   1HB   ASP   9          2HB       ASP   9   2.946  16.215   7.232
   67   2HB   ASP   9          1HB       ASP   9   2.435  17.564   6.218
   68    H    GLY  10           HN       GLY  10   4.789  15.244   3.590
   69   1HA   GLY  10          1HA       GLY  10   6.450  13.279   5.036
   70   2HA   GLY  10          2HA       GLY  10   6.208  13.343   3.291
   71    H    ARG  11           HN       ARG  11   3.215  13.603   3.800
   72    HA   ARG  11           HA       ARG  11   2.722  10.695   4.354
   73   1HB   ARG  11          2HB       ARG  11   1.197  13.167   5.226
   74   2HB   ARG  11          1HB       ARG  11   0.565  11.529   5.393
   75   1HG   ARG  11          2HG       ARG  11   2.607  10.935   6.719
   76   2HG   ARG  11          1HG       ARG  11   3.101  12.626   6.644
   77   1HD   ARG  11          2HD       ARG  11   1.942  12.349   8.744
   78   2HD   ARG  11          1HD       ARG  11   0.808  13.186   7.667
   79    HE   ARG  11           HE       ARG  11   0.411  10.435   7.223
   80   1HH1  ARG  11          1HH1      ARG  11   0.612  12.317  10.080
   81   2HH1  ARG  11          2HH1      ARG  11  -0.798  11.622  10.808
   82   1HH2  ARG  11          1HH2      ARG  11  -1.588   9.676   8.049
   83   2HH2  ARG  11          2HH2      ARG  11  -2.043  10.127   9.658
   84    H    CYS  12           HN       CYS  12   1.207   9.716   2.966
   85    HA   CYS  12           HA       CYS  12   0.107  11.453   0.778
   86   1HB   CYS  12          2HB       CYS  12   1.145   8.600   0.719
   87   2HB   CYS  12          1HB       CYS  12   0.476   9.461  -0.667
   88    H    THR  13           HN       THR  13  -1.948  10.662  -0.137
   89    HA   THR  13           HA       THR  13  -3.720   9.546   1.932
   90    HB   THR  13           HB       THR  13  -5.451  10.194   0.337
   91    HG1  THR  13          1HG       THR  13  -4.758  10.975  -1.727
   92   1HG2  THR  13          1HG2      THR  13  -3.252  11.978   1.089
   93   2HG2  THR  13          3HG2      THR  13  -4.160  12.552  -0.310
   94   3HG2  THR  13          2HG2      THR  13  -4.994  12.229   1.210
   95    H    LYS  14           HN       LYS  14  -5.270   7.759   1.268
   96    HA   LYS  14           HA       LYS  14  -3.753   5.581  -0.069
   97   1HB   LYS  14          2HB       LYS  14  -6.310   5.670   1.566
   98   2HB   LYS  14          1HB       LYS  14  -5.535   4.192   0.995
   99   1HG   LYS  14          2HG       LYS  14  -3.464   4.862   2.234
  100   2HG   LYS  14          1HG       LYS  14  -4.346   6.241   2.889
  101   1HD   LYS  14          2HD       LYS  14  -6.037   4.632   3.821
  102   2HD   LYS  14          1HD       LYS  14  -5.000   3.308   3.293
  103   1HE   LYS  14          2HE       LYS  14  -4.180   3.561   5.450
  104   2HE   LYS  14          1HE       LYS  14  -3.172   4.778   4.645
  105   1HZ   LYS  14          2HZ       LYS  14  -5.877   5.557   5.453
  106   2HZ   LYS  14          1HZ       LYS  14  -4.720   5.393   6.686
  107   3HZ   LYS  14          3HZ       LYS  14  -4.452   6.482   5.415

  No H/Q in entry =         107
  Start of MODEL    2
    1    H1   SER   1          1H        SER   1 -11.017   8.839 -11.880
    2    H2   SER   1          3H        SER   1 -10.920   7.173 -12.187
    3    H3   SER   1          2H        SER   1 -12.166   7.784 -11.205
    4    HA   SER   1           HA       SER   1 -10.864   7.926  -9.375
    5   1HB   SER   1          2HB       SER   1  -8.908   6.168 -10.769
    6   2HB   SER   1          1HB       SER   1  -9.818   5.878  -9.287
    7    HG   SER   1           HG       SER   1 -10.567   4.572 -10.989
    8    H    ILE   2           HN       ILE   2  -8.837   8.636  -8.393
    9    HA   ILE   2           HA       ILE   2  -6.987  10.048 -10.287
   10    HB   ILE   2           HB       ILE   2  -6.903  11.780  -8.392
   11   1HG1  ILE   2          2HG1      ILE   2  -9.576  10.980  -7.486
   12   2HG1  ILE   2          1HG1      ILE   2  -8.321   9.825  -7.038
   13   1HG2  ILE   2          3HG2      ILE   2  -8.220  11.983 -10.550
   14   2HG2  ILE   2          2HG2      ILE   2  -9.623  11.382  -9.666
   15   3HG2  ILE   2          1HG2      ILE   2  -8.872  12.907  -9.198
   16   1HD1  ILE   2          3HD1      ILE   2  -6.981  11.671  -6.072
   17   2HD1  ILE   2          2HD1      ILE   2  -8.260  12.809  -6.495
   18   3HD1  ILE   2          1HD1      ILE   2  -8.562  11.550  -5.298
   19    HA   PRO   3           HA       PRO   3  -3.705   7.954  -8.233
   20   1HB   PRO   3          2HB       PRO   3  -2.002  10.273  -8.230
   21   2HB   PRO   3          1HB       PRO   3  -1.970   8.903  -9.341
   22   1HG   PRO   3          2HG       PRO   3  -2.849  11.586  -9.871
   23   2HG   PRO   3          1HG       PRO   3  -2.818  10.215 -10.983
   24   1HD   PRO   3          2HD       PRO   3  -5.123  11.464  -9.773
   25   2HD   PRO   3          1HD       PRO   3  -5.092  10.084 -10.893
   26    HA   PRO   4           HA       PRO   4  -3.778   8.947  -3.944
   27   1HB   PRO   4          2HB       PRO   4  -0.945   8.665  -3.527
   28   2HB   PRO   4          1HB       PRO   4  -2.218   7.491  -3.183
   29   1HG   PRO   4          2HG       PRO   4  -0.250   7.400  -5.275
   30   2HG   PRO   4          1HG       PRO   4  -1.523   6.227  -4.931
   31   1HD   PRO   4          2HD       PRO   4  -1.375   8.085  -7.136
   32   2HD   PRO   4          1HD       PRO   4  -2.657   6.901  -6.790
   33    H    ILE   5           HN       ILE   5  -3.344  10.724  -2.517
   34    HA   ILE   5           HA       ILE   5  -1.963  13.039  -3.816
   35    HB   ILE   5           HB       ILE   5  -3.978  12.880  -1.550
   36   1HG1  ILE   5          2HG1      ILE   5  -4.350  13.662  -4.458
   37   2HG1  ILE   5          1HG1      ILE   5  -4.862  12.127  -3.755
   38   1HG2  ILE   5          2HG2      ILE   5  -2.886  15.217  -3.145
   39   2HG2  ILE   5          1HG2      ILE   5  -4.223  15.321  -1.999
   40   3HG2  ILE   5          3HG2      ILE   5  -2.606  14.900  -1.433
   41   1HD1  ILE   5          2HD1      ILE   5  -5.761  14.768  -2.597
   42   2HD1  ILE   5          1HD1      ILE   5  -6.633  14.001  -3.925
   43   3HD1  ILE   5          3HD1      ILE   5  -6.481  13.172  -2.375
   44    H    CYS   6           HN       CYS   6  -0.137  13.874  -2.848
   45    HA   CYS   6           HA       CYS   6   0.609  12.798  -0.146
   46   1HB   CYS   6          2HB       CYS   6   2.176  13.481  -2.640
   47   2HB   CYS   6          1HB       CYS   6   2.969  13.290  -1.076
   48    H    PHE   7           HN       PHE   7   1.755  14.312   1.256
   49    HA   PHE   7           HA       PHE   7   1.228  17.188   0.571
   50   1HB   PHE   7          2HB       PHE   7   0.899  15.495   3.020
   51   2HB   PHE   7          1HB       PHE   7   1.282  17.202   3.238
   52    HD1  PHE   7           HD1      PHE   7  -1.192  14.797   1.931
   53    HD2  PHE   7           HD2      PHE   7  -0.283  18.945   2.581
   54    HE1  PHE   7           HE1      PHE   7  -3.556  15.388   1.470
   55    HE2  PHE   7           HE2      PHE   7  -2.647  19.535   2.120
   56    HZ   PHE   7           HZ       PHE   7  -4.284  17.757   1.565
   57    HA   PRO   8           HA       PRO   8   5.470  18.186   1.117
   58   1HB   PRO   8          2HB       PRO   8   5.047  20.269   3.056
   59   2HB   PRO   8          1HB       PRO   8   5.319  20.437   1.320
   60   1HG   PRO   8          2HG       PRO   8   2.876  20.858   2.773
   61   2HG   PRO   8          1HG       PRO   8   3.148  21.026   1.036
   62   1HD   PRO   8          2HD       PRO   8   1.668  18.960   2.406
   63   2HD   PRO   8          1HD       PRO   8   1.943  19.129   0.656
   64    H    ASP   9           HN       ASP   9   3.511  17.308   3.818
   65    HA   ASP   9           HA       ASP   9   5.691  17.248   5.787
   66   1HB   ASP   9          2HB       ASP   9   3.895  16.229   7.180
   67   2HB   ASP   9          1HB       ASP   9   3.353  17.712   6.393
   68    H    GLY  10           HN       GLY  10   5.071  15.385   3.136
   69   1HA   GLY  10          1HA       GLY  10   6.660  13.159   4.170
   70   2HA   GLY  10          2HA       GLY  10   6.063  13.325   2.519
   71    H    ARG  11           HN       ARG  11   3.283  13.820   3.548
   72    HA   ARG  11           HA       ARG  11   2.640  11.011   4.391
   73   1HB   ARG  11          2HB       ARG  11   1.355  13.686   5.010
   74   2HB   ARG  11          1HB       ARG  11   0.619  12.139   5.431
   75   1HG   ARG  11          2HG       ARG  11   2.723  11.564   6.687
   76   2HG   ARG  11          1HG       ARG  11   3.292  13.205   6.385
   77   1HD   ARG  11          2HD       ARG  11   1.238  14.082   7.527
   78   2HD   ARG  11          1HD       ARG  11   0.796  12.411   7.927
   79    HE   ARG  11           HE       ARG  11   3.432  13.579   8.757
   80   1HH1  ARG  11          1HH1      ARG  11   1.048  13.893  10.616
   81   2HH1  ARG  11          2HH1      ARG  11   1.250  12.527  11.662
   82   1HH2  ARG  11          1HH2      ARG  11   3.481  10.910   9.556
   83   2HH2  ARG  11          2HH2      ARG  11   2.628  10.838  11.062
   84    H    CYS  12           HN       CYS  12   1.167   9.918   3.103
   85    HA   CYS  12           HA       CYS  12  -0.191  11.483   0.930
   86   1HB   CYS  12          2HB       CYS  12   1.038   8.706   0.852
   87   2HB   CYS  12          1HB       CYS  12   0.249   9.514  -0.503
   88    H    THR  13           HN       THR  13  -2.190  10.374   0.123
   89    HA   THR  13           HA       THR  13  -3.806   9.376   2.350
   90    HB   THR  13           HB       THR  13  -5.577   9.440   0.606
   91    HG1  THR  13          1HG       THR  13  -4.085   8.748  -1.076
   92   1HG2  THR  13          3HG2      THR  13  -4.555  11.530   1.787
   93   2HG2  THR  13          2HG2      THR  13  -3.866  11.881   0.202
   94   3HG2  THR  13          1HG2      THR  13  -5.615  11.774   0.398
   95    H    LYS  14           HN       LYS  14  -4.960   7.298   2.262
   96    HA   LYS  14           HA       LYS  14  -3.269   5.136   1.149
   97   1HB   LYS  14          2HB       LYS  14  -4.140   5.205   3.508
   98   2HB   LYS  14          1HB       LYS  14  -5.774   5.053   2.861
   99   1HG   LYS  14          2HG       LYS  14  -5.126   2.918   1.774
  100   2HG   LYS  14          1HG       LYS  14  -3.514   3.065   2.475
  101   1HD   LYS  14          2HD       LYS  14  -4.563   3.108   4.748
  102   2HD   LYS  14          1HD       LYS  14  -6.130   2.816   3.993
  103   1HE   LYS  14          2HE       LYS  14  -5.568   0.627   3.376
  104   2HE   LYS  14          1HE       LYS  14  -3.827   0.967   3.390
  105   1HZ   LYS  14          2HZ       LYS  14  -4.328   1.546   5.875
  106   2HZ   LYS  14          1HZ       LYS  14  -5.657   0.512   5.648
  107   3HZ   LYS  14          3HZ       LYS  14  -4.082  -0.070   5.412

  No H/Q in entry =         107
  Start of MODEL    3
    1    H1   SER   1          2H        SER   1  -8.662   5.098  -8.813
    2    H2   SER   1          1H        SER   1 -10.207   4.602  -8.311
    3    H3   SER   1          3H        SER   1  -9.950   5.071  -9.920
    4    HA   SER   1           HA       SER   1 -10.910   6.978  -9.094
    5   1HB   SER   1          2HB       SER   1  -9.333   6.567  -6.544
    6   2HB   SER   1          1HB       SER   1 -10.784   7.543  -6.774
    7    HG   SER   1           HG       SER   1 -12.000   5.786  -6.784
    8    H    ILE   2           HN       ILE   2  -9.792   9.172  -8.184
    9    HA   ILE   2           HA       ILE   2  -7.738   9.913  -9.971
   10    HB   ILE   2           HB       ILE   2  -7.448  11.794  -8.235
   11   1HG1  ILE   2          2HG1      ILE   2  -9.901  10.773  -6.903
   12   2HG1  ILE   2          1HG1      ILE   2  -8.392   9.966  -6.477
   13   1HG2  ILE   2          2HG2      ILE   2  -9.344  11.354 -10.141
   14   2HG2  ILE   2          1HG2      ILE   2 -10.359  11.525  -8.709
   15   3HG2  ILE   2          3HG2      ILE   2  -9.259  12.823  -9.169
   16   1HD1  ILE   2          3HD1      ILE   2  -7.547  12.513  -6.336
   17   2HD1  ILE   2          2HD1      ILE   2  -9.253  12.773  -5.966
   18   3HD1  ILE   2          1HD1      ILE   2  -8.287  11.693  -4.961
   19    HA   PRO   3           HA       PRO   3  -3.969   8.308  -8.377
   20   1HB   PRO   3          2HB       PRO   3  -2.551  10.805  -8.571
   21   2HB   PRO   3          1HB       PRO   3  -2.515   9.443  -9.694
   22   1HG   PRO   3          2HG       PRO   3  -3.751  12.009 -10.069
   23   2HG   PRO   3          1HG       PRO   3  -3.715  10.648 -11.193
   24   1HD   PRO   3          2HD       PRO   3  -5.964  11.633  -9.672
   25   2HD   PRO   3          1HD       PRO   3  -5.928  10.261 -10.804
   26    HA   PRO   4           HA       PRO   4  -3.843   9.303  -4.078
   27   1HB   PRO   4          2HB       PRO   4  -1.024   8.770  -3.871
   28   2HB   PRO   4          1HB       PRO   4  -2.366   7.715  -3.422
   29   1HG   PRO   4          2HG       PRO   4  -0.577   7.443  -5.652
   30   2HG   PRO   4          1HG       PRO   4  -1.919   6.389  -5.205
   31   1HD   PRO   4          2HD       PRO   4  -1.771   8.221  -7.431
   32   2HD   PRO   4          1HD       PRO   4  -3.125   7.158  -6.980
   33    H    ILE   5           HN       ILE   5  -3.169  11.047  -2.716
   34    HA   ILE   5           HA       ILE   5  -1.568  13.172  -4.100
   35    HB   ILE   5           HB       ILE   5  -3.673  13.344  -1.919
   36   1HG1  ILE   5          2HG1      ILE   5  -3.870  14.048  -4.862
   37   2HG1  ILE   5          1HG1      ILE   5  -4.514  12.568  -4.151
   38   1HG2  ILE   5          2HG2      ILE   5  -2.004  15.358  -3.402
   39   2HG2  ILE   5          1HG2      ILE   5  -3.617  15.802  -2.844
   40   3HG2  ILE   5          3HG2      ILE   5  -2.392  15.288  -1.683
   41   1HD1  ILE   5          3HD1      ILE   5  -5.438  14.686  -2.522
   42   2HD1  ILE   5          2HD1      ILE   5  -5.677  15.212  -4.189
   43   3HD1  ILE   5          1HD1      ILE   5  -6.391  13.699  -3.631
   44    H    CYS   6           HN       CYS   6   0.229  13.990  -3.028
   45    HA   CYS   6           HA       CYS   6   0.790  12.896  -0.288
   46   1HB   CYS   6          2HB       CYS   6   2.523  13.406  -2.714
   47   2HB   CYS   6          1HB       CYS   6   3.213  13.154  -1.111
   48    H    PHE   7           HN       PHE   7   1.884  14.354   1.168
   49    HA   PHE   7           HA       PHE   7   1.809  17.236   0.328
   50   1HB   PHE   7          2HB       PHE   7   0.930  15.788   2.826
   51   2HB   PHE   7          1HB       PHE   7   1.284  17.515   2.860
   52    HD1  PHE   7           HD1      PHE   7  -0.060  19.106   1.534
   53    HD2  PHE   7           HD2      PHE   7  -1.001  14.917   1.648
   54    HE1  PHE   7           HE1      PHE   7  -2.298  19.583   0.577
   55    HE2  PHE   7           HE2      PHE   7  -3.239  15.393   0.691
   56    HZ   PHE   7           HZ       PHE   7  -3.888  17.726   0.157
   57    HA   PRO   8           HA       PRO   8   5.988  17.671   1.612
   58   1HB   PRO   8          2HB       PRO   8   5.529  19.978   3.267
   59   2HB   PRO   8          1HB       PRO   8   6.146  19.931   1.615
   60   1HG   PRO   8          2HG       PRO   8   3.566  20.824   2.510
   61   2HG   PRO   8          1HG       PRO   8   4.184  20.776   0.857
   62   1HD   PRO   8          2HD       PRO   8   2.175  19.078   2.049
   63   2HD   PRO   8          1HD       PRO   8   2.797  19.030   0.382
   64    H    ASP   9           HN       ASP   9   3.451  17.266   3.887
   65    HA   ASP   9           HA       ASP   9   5.024  17.270   6.328
   66   1HB   ASP   9          2HB       ASP   9   2.954  16.241   7.235
   67   2HB   ASP   9          1HB       ASP   9   2.586  17.637   6.221
   68    H    GLY  10           HN       GLY  10   4.947  15.154   3.698
   69   1HA   GLY  10          1HA       GLY  10   6.394  13.103   5.244
   70   2HA   GLY  10          2HA       GLY  10   6.237  13.157   3.488
   71    H    ARG  11           HN       ARG  11   3.224  13.642   3.987
   72    HA   ARG  11           HA       ARG  11   2.527  10.780   4.570
   73   1HB   ARG  11          2HB       ARG  11   1.059  13.381   5.107
   74   2HB   ARG  11          1HB       ARG  11   0.351  11.785   5.361
   75   1HG   ARG  11          2HG       ARG  11   2.277  11.253   6.890
   76   2HG   ARG  11          1HG       ARG  11   2.802  12.930   6.731
   77   1HD   ARG  11          2HD       ARG  11   1.458  12.783   8.747
   78   2HD   ARG  11          1HD       ARG  11   0.468  13.606   7.527
   79    HE   ARG  11           HE       ARG  11   0.254  10.647   7.691
   80   1HH1  ARG  11          1HH1      ARG  11  -1.619  12.762   6.375
   81   2HH1  ARG  11          2HH1      ARG  11  -2.979  12.661   7.441
   82   1HH2  ARG  11          1HH2      ARG  11  -1.251  10.945   9.911
   83   2HH2  ARG  11          2HH2      ARG  11  -2.771  11.633   9.444
   84    H    CYS  12           HN       CYS  12   1.094   9.783   3.111
   85    HA   CYS  12           HA       CYS  12   0.249  11.427   0.744
   86   1HB   CYS  12          2HB       CYS  12   1.465   8.668   0.983
   87   2HB   CYS  12          1HB       CYS  12   0.634   9.193  -0.481
   88    H    THR  13           HN       THR  13  -1.729  10.632  -0.305
   89    HA   THR  13           HA       THR  13  -3.485   9.088   1.576
   90    HB   THR  13           HB       THR  13  -5.269  10.486   0.794
   91    HG1  THR  13          1HG       THR  13  -4.969  10.594  -1.350
   92   1HG2  THR  13          2HG2      THR  13  -3.233  11.511   2.175
   93   2HG2  THR  13          1HG2      THR  13  -3.068  12.504   0.726
   94   3HG2  THR  13          3HG2      THR  13  -4.578  12.519   1.638
   95    H    LYS  14           HN       LYS  14  -5.251   7.851   0.399
   96    HA   LYS  14           HA       LYS  14  -4.964   7.201  -2.410
   97   1HB   LYS  14          2HB       LYS  14  -3.933   5.018  -2.152
   98   2HB   LYS  14          1HB       LYS  14  -2.907   6.201  -1.340
   99   1HG   LYS  14          2HG       LYS  14  -4.051   5.632   0.816
  100   2HG   LYS  14          1HG       LYS  14  -4.932   4.360  -0.031
  101   1HD   LYS  14          2HD       LYS  14  -2.654   3.453  -0.751
  102   2HD   LYS  14          1HD       LYS  14  -1.948   4.565   0.421
  103   1HE   LYS  14          2HE       LYS  14  -4.177   2.746   1.302
  104   2HE   LYS  14          1HE       LYS  14  -2.527   2.107   1.178
  105   1HZ   LYS  14          2HZ       LYS  14  -1.755   4.004   2.495
  106   2HZ   LYS  14          1HZ       LYS  14  -3.354   4.556   2.656
  107   3HZ   LYS  14          3HZ       LYS  14  -2.892   3.085   3.360

  No H/Q in entry =         107
  Start of MODEL    4
    1    H1   SER   1          3H        SER   1 -10.882   7.016 -10.935
    2    H2   SER   1          2H        SER   1 -12.238   6.756  -9.945
    3    H3   SER   1          1H        SER   1 -12.148   8.144 -10.919
    4    HA   SER   1           HA       SER   1 -11.541   9.037  -8.902
    5   1HB   SER   1          2HB       SER   1 -10.619   6.207  -8.529
    6   2HB   SER   1          1HB       SER   1  -9.958   7.456  -7.472
    7    HG   SER   1           HG       SER   1 -11.759   7.412  -6.433
    8    H    ILE   2           HN       ILE   2  -9.072   9.269  -7.836
    9    HA   ILE   2           HA       ILE   2  -7.206   9.496 -10.177
   10    HB   ILE   2           HB       ILE   2  -6.482  11.637  -8.940
   11   1HG1  ILE   2          2HG1      ILE   2  -9.147  11.130  -7.581
   12   2HG1  ILE   2          1HG1      ILE   2  -7.571  11.072  -6.792
   13   1HG2  ILE   2          3HG2      ILE   2  -7.984  11.461 -11.006
   14   2HG2  ILE   2          2HG2      ILE   2  -9.349  11.650  -9.905
   15   3HG2  ILE   2          1HG2      ILE   2  -8.149  12.935 -10.052
   16   1HD1  ILE   2          3HD1      ILE   2  -7.547  13.531  -8.081
   17   2HD1  ILE   2          2HD1      ILE   2  -9.209  13.391  -7.506
   18   3HD1  ILE   2          1HD1      ILE   2  -7.869  13.274  -6.366
   19    HA   PRO   3           HA       PRO   3  -4.140   7.488  -7.755
   20   1HB   PRO   3          2HB       PRO   3  -2.078   9.419  -8.301
   21   2HB   PRO   3          1HB       PRO   3  -2.335   7.852  -9.075
   22   1HG   PRO   3          2HG       PRO   3  -2.782  10.464 -10.185
   23   2HG   PRO   3          1HG       PRO   3  -3.040   8.898 -10.959
   24   1HD   PRO   3          2HD       PRO   3  -5.036  10.765 -10.027
   25   2HD   PRO   3          1HD       PRO   3  -5.296   9.187 -10.807
   26    HA   PRO   4           HA       PRO   4  -3.999   9.449  -3.807
   27   1HB   PRO   4          2HB       PRO   4  -1.386   8.428  -3.172
   28   2HB   PRO   4          1HB       PRO   4  -2.953   7.806  -2.650
   29   1HG   PRO   4          2HG       PRO   4  -1.135   6.646  -4.548
   30   2HG   PRO   4          1HG       PRO   4  -2.703   6.023  -4.027
   31   1HD   PRO   4          2HD       PRO   4  -2.019   7.189  -6.579
   32   2HD   PRO   4          1HD       PRO   4  -3.599   6.561  -6.052
   33    H    ILE   5           HN       ILE   5  -3.030  11.295  -2.798
   34    HA   ILE   5           HA       ILE   5  -0.864  12.617  -4.402
   35    HB   ILE   5           HB       ILE   5  -3.127  13.802  -2.760
   36   1HG1  ILE   5          2HG1      ILE   5  -2.768  13.650  -5.769
   37   2HG1  ILE   5          1HG1      ILE   5  -3.853  12.617  -4.838
   38   1HG2  ILE   5          3HG2      ILE   5  -1.077  15.213  -2.916
   39   2HG2  ILE   5          2HG2      ILE   5  -1.171  15.113  -4.674
   40   3HG2  ILE   5          1HG2      ILE   5  -2.447  15.926  -3.768
   41   1HD1  ILE   5          2HD1      ILE   5  -5.054  14.625  -4.029
   42   2HD1  ILE   5          1HD1      ILE   5  -3.980  15.646  -4.985
   43   3HD1  ILE   5          3HD1      ILE   5  -5.082  14.528  -5.790
   44    H    CYS   6           HN       CYS   6   0.926  13.354  -3.260
   45    HA   CYS   6           HA       CYS   6   1.043  12.671  -0.361
   46   1HB   CYS   6          2HB       CYS   6   3.053  13.230  -2.552
   47   2HB   CYS   6          1HB       CYS   6   3.534  13.088  -0.861
   48    H    PHE   7           HN       PHE   7   1.890  14.256   1.152
   49    HA   PHE   7           HA       PHE   7   1.563  17.092   0.223
   50   1HB   PHE   7          2HB       PHE   7   1.063  15.808   2.930
   51   2HB   PHE   7          1HB       PHE   7   0.767  17.500   2.529
   52    HD1  PHE   7           HD1      PHE   7  -0.227  17.011  -0.329
   53    HD2  PHE   7           HD2      PHE   7  -1.207  15.165   3.424
   54    HE1  PHE   7           HE1      PHE   7  -2.466  16.412  -1.209
   55    HE2  PHE   7           HE2      PHE   7  -3.446  14.566   2.544
   56    HZ   PHE   7           HZ       PHE   7  -4.076  15.188   0.227
   57    HA   PRO   8           HA       PRO   8   5.653  18.052   1.508
   58   1HB   PRO   8          2HB       PRO   8   4.913  20.323   3.111
   59   2HB   PRO   8          1HB       PRO   8   5.541  20.314   1.461
   60   1HG   PRO   8          2HG       PRO   8   2.868  20.910   2.331
   61   2HG   PRO   8          1HG       PRO   8   3.496  20.903   0.681
   62   1HD   PRO   8          2HD       PRO   8   1.697  19.002   1.902
   63   2HD   PRO   8          1HD       PRO   8   2.331  18.993   0.240
   64    H    ASP   9           HN       ASP   9   3.172  17.395   3.786
   65    HA   ASP   9           HA       ASP   9   4.810  17.590   6.202
   66   1HB   ASP   9          2HB       ASP   9   2.797  16.558   7.212
   67   2HB   ASP   9          1HB       ASP   9   2.357  17.897   6.152
   68    H    GLY  10           HN       GLY  10   4.768  15.425   3.636
   69   1HA   GLY  10          1HA       GLY  10   6.278  13.441   5.198
   70   2HA   GLY  10          2HA       GLY  10   6.077  13.444   3.446
   71    H    ARG  11           HN       ARG  11   3.104  13.801   3.782
   72    HA   ARG  11           HA       ARG  11   2.473  10.974   4.569
   73   1HB   ARG  11          2HB       ARG  11   0.938  13.557   4.996
   74   2HB   ARG  11          1HB       ARG  11   0.272  11.956   5.322
   75   1HG   ARG  11          2HG       ARG  11   2.234  11.544   6.857
   76   2HG   ARG  11          1HG       ARG  11   2.684  13.236   6.639
   77   1HD   ARG  11          2HD       ARG  11   0.357  13.862   7.441
   78   2HD   ARG  11          1HD       ARG  11   0.127  12.156   7.871
   79    HE   ARG  11           HE       ARG  11   2.321  12.467   9.220
   80   1HH1  ARG  11          1HH1      ARG  11   1.290  15.430   8.091
   81   2HH1  ARG  11          2HH1      ARG  11   1.189  16.197   9.641
   82   1HH2  ARG  11          1HH2      ARG  11   1.678  13.260  11.419
   83   2HH2  ARG  11          2HH2      ARG  11   1.409  14.968  11.525
   84    H    CYS  12           HN       CYS  12   1.157   9.855   3.114
   85    HA   CYS  12           HA       CYS  12   0.195  11.381   0.714
   86   1HB   CYS  12          2HB       CYS  12   1.381   8.594   0.938
   87   2HB   CYS  12          1HB       CYS  12   0.788   9.322  -0.555
   88    H    THR  13           HN       THR  13  -1.738  10.444  -0.301
   89    HA   THR  13           HA       THR  13  -3.635   9.381   1.670
   90    HB   THR  13           HB       THR  13  -5.238   9.855  -0.061
   91    HG1  THR  13          1HG       THR  13  -2.965   9.724  -1.731
   92   1HG2  THR  13          1HG2      THR  13  -3.193  11.730   0.661
   93   2HG2  THR  13          3HG2      THR  13  -3.687  12.043  -1.003
   94   3HG2  THR  13          2HG2      THR  13  -4.887  12.044   0.289
   95    H    LYS  14           HN       LYS  14  -4.970   7.427   1.121
   96    HA   LYS  14           HA       LYS  14  -3.237   5.268   0.026
   97   1HB   LYS  14          2HB       LYS  14  -5.815   5.280   1.631
   98   2HB   LYS  14          1HB       LYS  14  -4.904   3.831   1.203
   99   1HG   LYS  14          2HG       LYS  14  -2.910   4.840   2.375
  100   2HG   LYS  14          1HG       LYS  14  -3.967   6.135   2.937
  101   1HD   LYS  14          2HD       LYS  14  -4.474   3.188   3.445
  102   2HD   LYS  14          1HD       LYS  14  -3.696   4.269   4.600
  103   1HE   LYS  14          2HE       LYS  14  -6.193   5.393   3.561
  104   2HE   LYS  14          1HE       LYS  14  -6.439   3.847   4.396
  105   1HZ   LYS  14          3HZ       LYS  14  -4.815   6.113   5.441
  106   2HZ   LYS  14          2HZ       LYS  14  -6.400   5.754   5.939
  107   3HZ   LYS  14          1HZ       LYS  14  -5.141   4.656   6.247

  No H/Q in entry =         107
  Start of MODEL    5
    1    H1   SER   1          1H        SER   1 -10.643   5.920  -9.837
    2    H2   SER   1          3H        SER   1 -11.827   5.393  -8.744
    3    H3   SER   1          2H        SER   1 -12.103   6.776  -9.692
    4    HA   SER   1           HA       SER   1 -11.543   7.651  -7.607
    5   1HB   SER   1          2HB       SER   1  -9.509   5.403  -7.682
    6   2HB   SER   1          1HB       SER   1  -9.535   6.636  -6.419
    7    HG   SER   1           HG       SER   1 -10.825   4.483  -6.291
    8    H    ILE   2           HN       ILE   2  -9.111   8.599  -6.918
    9    HA   ILE   2           HA       ILE   2  -7.994   9.681  -9.485
   10    HB   ILE   2           HB       ILE   2  -7.407  11.633  -7.910
   11   1HG1  ILE   2          2HG1      ILE   2  -9.516  10.353  -6.164
   12   2HG1  ILE   2          1HG1      ILE   2  -7.792  10.139  -5.859
   13   1HG2  ILE   2          2HG2      ILE   2  -9.300  11.645  -9.533
   14   2HG2  ILE   2          1HG2      ILE   2 -10.337  10.945  -8.290
   15   3HG2  ILE   2          3HG2      ILE   2  -9.666  12.561  -8.070
   16   1HD1  ILE   2          3HD1      ILE   2  -7.955  12.855  -6.214
   17   2HD1  ILE   2          2HD1      ILE   2  -9.498  12.509  -5.434
   18   3HD1  ILE   2          1HD1      ILE   2  -7.989  12.052  -4.644
   19    HA   PRO   3           HA       PRO   3  -3.974   8.220  -8.489
   20   1HB   PRO   3          2HB       PRO   3  -2.655  10.761  -8.772
   21   2HB   PRO   3          1HB       PRO   3  -2.745   9.446  -9.945
   22   1HG   PRO   3          2HG       PRO   3  -4.081  11.988 -10.038
   23   2HG   PRO   3          1HG       PRO   3  -4.169  10.672 -11.211
   24   1HD   PRO   3          2HD       PRO   3  -6.207  11.531  -9.354
   25   2HD   PRO   3          1HD       PRO   3  -6.297  10.206 -10.537
   26    HA   PRO   4           HA       PRO   4  -3.246   9.046  -4.218
   27   1HB   PRO   4          2HB       PRO   4  -0.406   8.648  -4.442
   28   2HB   PRO   4          1HB       PRO   4  -1.621   7.509  -3.857
   29   1HG   PRO   4          2HG       PRO   4  -0.166   7.420  -6.332
   30   2HG   PRO   4          1HG       PRO   4  -1.381   6.281  -5.746
   31   1HD   PRO   4          2HD       PRO   4  -1.640   8.208  -7.881
   32   2HD   PRO   4          1HD       PRO   4  -2.865   7.061  -7.292
   33    H    ILE   5           HN       ILE   5  -2.398  10.740  -2.864
   34    HA   ILE   5           HA       ILE   5  -0.884  12.900  -4.291
   35    HB   ILE   5           HB       ILE   5  -3.250  13.136  -2.400
   36   1HG1  ILE   5          2HG1      ILE   5  -3.034  13.811  -5.348
   37   2HG1  ILE   5          1HG1      ILE   5  -3.754  12.325  -4.727
   38   1HG2  ILE   5          2HG2      ILE   5  -1.596  15.219  -3.856
   39   2HG2  ILE   5          1HG2      ILE   5  -3.127  15.558  -3.050
   40   3HG2  ILE   5          3HG2      ILE   5  -1.737  15.015  -2.110
   41   1HD1  ILE   5          2HD1      ILE   5  -4.764  14.784  -3.451
   42   2HD1  ILE   5          1HD1      ILE   5  -5.137  14.657  -5.170
   43   3HD1  ILE   5          3HD1      ILE   5  -5.652  13.388  -4.059
   44    H    CYS   6           HN       CYS   6   0.895  13.575  -3.144
   45    HA   CYS   6           HA       CYS   6   1.084  12.764  -0.261
   46   1HB   CYS   6          2HB       CYS   6   3.059  12.988  -2.535
   47   2HB   CYS   6          1HB       CYS   6   3.603  12.940  -0.858
   48    H    PHE   7           HN       PHE   7   2.016  14.317   1.195
   49    HA   PHE   7           HA       PHE   7   2.118  17.121   0.126
   50   1HB   PHE   7          2HB       PHE   7   1.088  15.945   2.721
   51   2HB   PHE   7          1HB       PHE   7   1.319  17.677   2.483
   52    HD1  PHE   7           HD1      PHE   7  -0.582  14.699   1.384
   53    HD2  PHE   7           HD2      PHE   7  -0.141  18.958   1.041
   54    HE1  PHE   7           HE1      PHE   7  -2.774  14.834   0.231
   55    HE2  PHE   7           HE2      PHE   7  -2.333  19.093  -0.112
   56    HZ   PHE   7           HZ       PHE   7  -3.649  17.030  -0.518
   57    HA   PRO   8           HA       PRO   8   6.183  17.580   1.725
   58   1HB   PRO   8          2HB       PRO   8   5.645  20.030   3.135
   59   2HB   PRO   8          1HB       PRO   8   6.400  19.829   1.553
   60   1HG   PRO   8          2HG       PRO   8   3.777  20.843   2.142
   61   2HG   PRO   8          1HG       PRO   8   4.533  20.643   0.558
   62   1HD   PRO   8          2HD       PRO   8   2.385  19.090   1.706
   63   2HD   PRO   8          1HD       PRO   8   3.148  18.889   0.111
   64    H    ASP   9           HN       ASP   9   3.451  17.419   3.796
   65    HA   ASP   9           HA       ASP   9   4.923  17.512   6.332
   66   1HB   ASP   9          2HB       ASP   9   2.684  16.895   7.222
   67   2HB   ASP   9          1HB       ASP   9   2.585  18.249   6.096
   68    H    GLY  10           HN       GLY  10   4.881  15.273   3.904
   69   1HA   GLY  10          1HA       GLY  10   5.790  13.140   5.692
   70   2HA   GLY  10          2HA       GLY  10   5.762  13.073   3.929
   71    H    ARG  11           HN       ARG  11   2.874  13.967   3.963
   72    HA   ARG  11           HA       ARG  11   1.648  11.402   4.926
   73   1HB   ARG  11          2HB       ARG  11   1.006  13.600   6.018
   74   2HB   ARG  11          1HB       ARG  11   0.333  14.095   4.465
   75   1HG   ARG  11          2HG       ARG  11  -1.151  12.103   4.496
   76   2HG   ARG  11          1HG       ARG  11  -0.503  11.663   6.077
   77   1HD   ARG  11          2HD       ARG  11  -1.312  13.827   6.998
   78   2HD   ARG  11          1HD       ARG  11  -2.002  14.226   5.412
   79    HE   ARG  11           HE       ARG  11  -2.834  11.597   6.346
   80   1HH1  ARG  11          1HH1      ARG  11  -3.215  14.725   7.561
   81   2HH1  ARG  11          2HH1      ARG  11  -4.947  14.694   7.562
   82   1HH2  ARG  11          1HH2      ARG  11  -5.156  11.654   5.907
   83   2HH2  ARG  11          2HH2      ARG  11  -6.046  12.956   6.625
   84    H    CYS  12           HN       CYS  12   0.633  10.158   3.377
   85    HA   CYS  12           HA       CYS  12   0.157  11.396   0.685
   86   1HB   CYS  12          2HB       CYS  12   1.347   8.732   1.497
   87   2HB   CYS  12          1HB       CYS  12   0.808   9.069  -0.147
   88    H    THR  13           HN       THR  13  -1.613  10.376  -0.522
   89    HA   THR  13           HA       THR  13  -3.645   9.119   1.286
   90    HB   THR  13           HB       THR  13  -5.264  10.190  -0.120
   91    HG1  THR  13          1HG       THR  13  -4.573   9.848  -2.138
   92   1HG2  THR  13          1HG2      THR  13  -3.416  11.619   1.278
   93   2HG2  THR  13          3HG2      THR  13  -3.241  12.337  -0.324
   94   3HG2  THR  13          2HG2      THR  13  -4.813  12.340   0.477
   95    H    LYS  14           HN       LYS  14  -5.045   7.457   0.243
   96    HA   LYS  14           HA       LYS  14  -3.455   5.580  -1.360
   97   1HB   LYS  14          2HB       LYS  14  -6.287   5.550  -0.265
   98   2HB   LYS  14          1HB       LYS  14  -5.481   4.161  -0.996
   99   1HG   LYS  14          2HG       LYS  14  -3.692   4.331   0.727
  100   2HG   LYS  14          1HG       LYS  14  -4.571   5.660   1.480
  101   1HD   LYS  14          2HD       LYS  14  -6.531   4.141   1.776
  102   2HD   LYS  14          1HD       LYS  14  -5.566   2.817   1.125
  103   1HE   LYS  14          2HE       LYS  14  -3.847   3.554   3.003
  104   2HE   LYS  14          1HE       LYS  14  -5.300   4.236   3.758
  105   1HZ   LYS  14          1HZ       LYS  14  -6.268   1.920   2.953
  106   2HZ   LYS  14          3HZ       LYS  14  -4.650   1.447   3.146
  107   3HZ   LYS  14          2HZ       LYS  14  -5.507   2.094   4.463

  No H/Q in entry =         107
  Start of MODEL    6
    1    H1   SER   1          3H        SER   1 -11.331   7.274 -11.091
    2    H2   SER   1          2H        SER   1 -10.674   5.952 -10.251
    3    H3   SER   1          1H        SER   1 -12.251   6.481  -9.908
    4    HA   SER   1           HA       SER   1 -11.479   8.478  -8.906
    5   1HB   SER   1          2HB       SER   1  -9.734   7.266  -7.304
    6   2HB   SER   1          1HB       SER   1 -11.427   6.770  -7.329
    7    HG   SER   1           HG       SER   1 -10.803   4.913  -8.028
    8    H    ILE   2           HN       ILE   2  -9.104   9.162  -7.840
    9    HA   ILE   2           HA       ILE   2  -7.316   9.560 -10.218
   10    HB   ILE   2           HB       ILE   2  -6.680  11.648  -8.851
   11   1HG1  ILE   2          2HG1      ILE   2  -9.319  11.238  -7.479
   12   2HG1  ILE   2          1HG1      ILE   2  -7.869  10.509  -6.788
   13   1HG2  ILE   2          2HG2      ILE   2  -9.096  11.051 -10.398
   14   2HG2  ILE   2          1HG2      ILE   2  -9.297  12.436  -9.325
   15   3HG2  ILE   2          3HG2      ILE   2  -8.000  12.426 -10.519
   16   1HD1  ILE   2          1HD1      ILE   2  -7.090  13.113  -7.451
   17   2HD1  ILE   2          3HD1      ILE   2  -8.711  13.297  -6.780
   18   3HD1  ILE   2          2HD1      ILE   2  -7.448  12.510  -5.832
   19    HA   PRO   3           HA       PRO   3  -3.923   7.689  -8.148
   20   1HB   PRO   3          2HB       PRO   3  -2.112   9.899  -8.488
   21   2HB   PRO   3          1HB       PRO   3  -2.222   8.424  -9.452
   22   1HG   PRO   3          2HG       PRO   3  -3.000  11.086 -10.202
   23   2HG   PRO   3          1HG       PRO   3  -3.110   9.611 -11.166
   24   1HD   PRO   3          2HD       PRO   3  -5.266  11.102  -9.954
   25   2HD   PRO   3          1HD       PRO   3  -5.377   9.615 -10.927
   26    HA   PRO   4           HA       PRO   4  -3.805   9.126  -3.985
   27   1HB   PRO   4          2HB       PRO   4  -1.038   8.444  -3.590
   28   2HB   PRO   4          1HB       PRO   4  -2.465   7.528  -3.100
   29   1HG   PRO   4          2HG       PRO   4  -0.610   6.912  -5.205
   30   2HG   PRO   4          1HG       PRO   4  -2.036   5.995  -4.712
   31   1HD   PRO   4          2HD       PRO   4  -1.680   7.566  -7.108
   32   2HD   PRO   4          1HD       PRO   4  -3.118   6.644  -6.611
   33    H    ILE   5           HN       ILE   5  -3.072  10.960  -2.780
   34    HA   ILE   5           HA       ILE   5  -1.259  12.812  -4.290
   35    HB   ILE   5           HB       ILE   5  -3.498  13.346  -2.311
   36   1HG1  ILE   5          2HG1      ILE   5  -3.394  13.802  -5.307
   37   2HG1  ILE   5          1HG1      ILE   5  -4.202  12.434  -4.542
   38   1HG2  ILE   5          2HG2      ILE   5  -1.544  15.017  -2.485
   39   2HG2  ILE   5          1HG2      ILE   5  -2.124  15.336  -4.120
   40   3HG2  ILE   5          3HG2      ILE   5  -3.168  15.659  -2.735
   41   1HD1  ILE   5          3HD1      ILE   5  -4.836  15.295  -3.799
   42   2HD1  ILE   5          2HD1      ILE   5  -5.677  14.456  -5.102
   43   3HD1  ILE   5          1HD1      ILE   5  -5.780  13.847  -3.450
   44    H    CYS   6           HN       CYS   6   0.472  13.734  -3.161
   45    HA   CYS   6           HA       CYS   6   0.905  12.734  -0.367
   46   1HB   CYS   6          2HB       CYS   6   2.710  13.414  -2.693
   47   2HB   CYS   6          1HB       CYS   6   3.344  13.244  -1.056
   48    H    PHE   7           HN       PHE   7   1.717  14.249   1.189
   49    HA   PHE   7           HA       PHE   7   1.363  17.127   0.412
   50   1HB   PHE   7          2HB       PHE   7   0.965  15.672   3.049
   51   2HB   PHE   7          1HB       PHE   7   0.711  17.399   2.802
   52    HD1  PHE   7           HD1      PHE   7  -0.571  17.535   0.185
   53    HD2  PHE   7           HD2      PHE   7  -1.151  14.707   3.366
   54    HE1  PHE   7           HE1      PHE   7  -2.866  17.080  -0.638
   55    HE2  PHE   7           HE2      PHE   7  -3.446  14.251   2.543
   56    HZ   PHE   7           HZ       PHE   7  -4.303  15.438   0.541
   57    HA   PRO   8           HA       PRO   8   5.504  18.050   1.555
   58   1HB   PRO   8          2HB       PRO   8   4.829  20.229   3.309
   59   2HB   PRO   8          1HB       PRO   8   5.377  20.311   1.633
   60   1HG   PRO   8          2HG       PRO   8   2.746  20.840   2.657
   61   2HG   PRO   8          1HG       PRO   8   3.295  20.924   0.983
   62   1HD   PRO   8          2HD       PRO   8   1.565  18.949   2.183
   63   2HD   PRO   8          1HD       PRO   8   2.120  19.032   0.495
   64    H    ASP   9           HN       ASP   9   3.135  17.258   3.910
   65    HA   ASP   9           HA       ASP   9   4.811  17.378   6.281
   66   1HB   ASP   9          2HB       ASP   9   2.912  16.071   7.232
   67   2HB   ASP   9          1HB       ASP   9   2.356  17.478   6.323
   68    H    GLY  10           HN       GLY  10   4.877  15.364   3.585
   69   1HA   GLY  10          1HA       GLY  10   6.594  13.432   4.997
   70   2HA   GLY  10          2HA       GLY  10   6.360  13.527   3.251
   71    H    ARG  11           HN       ARG  11   3.320  13.678   4.035
   72    HA   ARG  11           HA       ARG  11   2.983  10.713   4.368
   73   1HB   ARG  11          2HB       ARG  11   1.325  13.052   5.363
   74   2HB   ARG  11          1HB       ARG  11   0.844  11.363   5.520
   75   1HG   ARG  11          2HG       ARG  11   2.962  10.921   6.770
   76   2HG   ARG  11          1HG       ARG  11   3.330  12.644   6.694
   77   1HD   ARG  11          2HD       ARG  11   0.873  11.416   8.003
   78   2HD   ARG  11          1HD       ARG  11   2.260  12.126   8.850
   79    HE   ARG  11           HE       ARG  11   1.653  14.241   7.419
   80   1HH1  ARG  11          1HH1      ARG  11  -0.843  12.776   6.393
   81   2HH1  ARG  11          2HH1      ARG  11  -2.062  13.460   7.417
   82   1HH2  ARG  11          1HH2      ARG  11   0.204  14.746   9.704
   83   2HH2  ARG  11          2HH2      ARG  11  -1.468  14.574   9.291
   84    H    CYS  12           HN       CYS  12   1.412   9.737   3.016
   85    HA   CYS  12           HA       CYS  12   0.235  11.513   0.899
   86   1HB   CYS  12          2HB       CYS  12   1.330   8.686   0.737
   87   2HB   CYS  12          1HB       CYS  12   0.603   9.564  -0.608
   88    H    THR  13           HN       THR  13  -1.829  10.719   0.018
   89    HA   THR  13           HA       THR  13  -3.482   9.405   2.093
   90    HB   THR  13           HB       THR  13  -5.313  10.168   0.575
   91    HG1  THR  13          1HG       THR  13  -3.726   9.941  -1.284
   92   1HG2  THR  13          1HG2      THR  13  -4.264  11.676   2.296
   93   2HG2  THR  13          3HG2      THR  13  -3.233  12.323   1.020
   94   3HG2  THR  13          2HG2      THR  13  -4.982  12.534   0.933
   95    H    LYS  14           HN       LYS  14  -5.159   7.777   1.203
   96    HA   LYS  14           HA       LYS  14  -3.711   5.750  -0.425
   97   1HB   LYS  14          2HB       LYS  14  -6.175   5.717   1.342
   98   2HB   LYS  14          1HB       LYS  14  -5.580   4.301   0.478
   99   1HG   LYS  14          2HG       LYS  14  -3.377   4.584   1.634
  100   2HG   LYS  14          1HG       LYS  14  -4.079   5.904   2.571
  101   1HD   LYS  14          2HD       LYS  14  -5.826   4.330   3.408
  102   2HD   LYS  14          1HD       LYS  14  -5.019   3.020   2.545
  103   1HE   LYS  14          2HE       LYS  14  -2.895   3.955   3.900
  104   2HE   LYS  14          1HE       LYS  14  -4.173   4.459   5.023
  105   1HZ   LYS  14          3HZ       LYS  14  -5.110   2.160   4.724
  106   2HZ   LYS  14          2HZ       LYS  14  -3.662   1.739   3.943
  107   3HZ   LYS  14          1HZ       LYS  14  -3.642   2.226   5.570

  No H/Q in entry =         107
  Start of MODEL    7
    1    H1   SER   1          3H        SER   1  -9.329   5.920 -10.407
    2    H2   SER   1          2H        SER   1 -10.796   5.557  -9.629
    3    H3   SER   1          1H        SER   1 -10.790   6.500 -11.042
    4    HA   SER   1           HA       SER   1 -10.968   8.184  -9.530
    5   1HB   SER   1          2HB       SER   1  -9.180   6.962  -7.506
    6   2HB   SER   1          1HB       SER   1 -10.755   7.727  -7.296
    7    HG   SER   1           HG       SER   1 -10.338   5.226  -7.183
    8    H    ILE   2           HN       ILE   2  -9.352   9.839  -8.639
    9    HA   ILE   2           HA       ILE   2  -7.141  10.155 -10.471
   10    HB   ILE   2           HB       ILE   2  -6.689  12.122  -8.940
   11   1HG1  ILE   2          2HG1      ILE   2  -9.218  11.564  -7.489
   12   2HG1  ILE   2          1HG1      ILE   2  -7.826  10.592  -7.012
   13   1HG2  ILE   2          1HG2      ILE   2  -9.531  11.631  -9.878
   14   2HG2  ILE   2          3HG2      ILE   2  -8.908  13.208  -9.396
   15   3HG2  ILE   2          2HG2      ILE   2  -8.230  12.384 -10.801
   16   1HD1  ILE   2          1HD1      ILE   2  -6.690  13.068  -7.176
   17   2HD1  ILE   2          3HD1      ILE   2  -8.321  13.486  -6.652
   18   3HD1  ILE   2          2HD1      ILE   2  -7.341  12.384  -5.686
   19    HA   PRO   3           HA       PRO   3  -3.792   8.158  -8.449
   20   1HB   PRO   3          2HB       PRO   3  -2.042  10.442  -8.472
   21   2HB   PRO   3          1HB       PRO   3  -2.060   9.074  -9.588
   22   1HG   PRO   3          2HG       PRO   3  -2.893  11.776 -10.095
   23   2HG   PRO   3          1HG       PRO   3  -2.910  10.407 -11.210
   24   1HD   PRO   3          2HD       PRO   3  -5.167  11.700  -9.955
   25   2HD   PRO   3          1HD       PRO   3  -5.186  10.322 -11.079
   26    HA   PRO   4           HA       PRO   4  -3.824   9.145  -4.158
   27   1HB   PRO   4          2HB       PRO   4  -1.013   8.680  -3.757
   28   2HB   PRO   4          1HB       PRO   4  -2.357   7.589  -3.408
   29   1HG   PRO   4          2HG       PRO   4  -0.410   7.376  -5.510
   30   2HG   PRO   4          1HG       PRO   4  -1.754   6.286  -5.162
   31   1HD   PRO   4          2HD       PRO   4  -1.499   8.136  -7.364
   32   2HD   PRO   4          1HD       PRO   4  -2.852   7.037  -7.013
   33    H    ILE   5           HN       ILE   5  -3.285  10.896  -2.742
   34    HA   ILE   5           HA       ILE   5  -1.697  13.090  -4.022
   35    HB   ILE   5           HB       ILE   5  -3.827  13.150  -1.858
   36   1HG1  ILE   5          2HG1      ILE   5  -4.044  13.868  -4.797
   37   2HG1  ILE   5          1HG1      ILE   5  -4.631  12.358  -4.099
   38   1HG2  ILE   5          3HG2      ILE   5  -2.168  15.053  -1.920
   39   2HG2  ILE   5          2HG2      ILE   5  -2.715  15.397  -3.560
   40   3HG2  ILE   5          1HG2      ILE   5  -3.838  15.541  -2.207
   41   1HD1  ILE   5          1HD1      ILE   5  -5.682  14.336  -2.430
   42   2HD1  ILE   5          3HD1      ILE   5  -5.843  15.011  -4.051
   43   3HD1  ILE   5          2HD1      ILE   5  -6.564  13.447  -3.672
   44    H    CYS   6           HN       CYS   6   0.027  13.981  -2.876
   45    HA   CYS   6           HA       CYS   6   0.584  12.827  -0.159
   46   1HB   CYS   6          2HB       CYS   6   2.356  13.433  -2.538
   47   2HB   CYS   6          1HB       CYS   6   3.013  13.139  -0.927
   48    H    PHE   7           HN       PHE   7   1.491  14.292   1.373
   49    HA   PHE   7           HA       PHE   7   1.201  17.181   0.646
   50   1HB   PHE   7          2HB       PHE   7   1.211  15.746   3.324
   51   2HB   PHE   7          1HB       PHE   7   0.860  17.457   3.075
   52    HD1  PHE   7           HD1      PHE   7  -0.717  17.254   0.518
   53    HD2  PHE   7           HD2      PHE   7  -0.881  14.944   4.136
   54    HE1  PHE   7           HE1      PHE   7  -3.090  16.700   0.057
   55    HE2  PHE   7           HE2      PHE   7  -3.253  14.390   3.675
   56    HZ   PHE   7           HZ       PHE   7  -4.358  15.268   1.635
   57    HA   PRO   8           HA       PRO   8   5.483  18.015   1.172
   58   1HB   PRO   8          2HB       PRO   8   5.116  20.189   3.020
   59   2HB   PRO   8          1HB       PRO   8   5.414  20.277   1.283
   60   1HG   PRO   8          2HG       PRO   8   2.973  20.846   2.686
   61   2HG   PRO   8          1HG       PRO   8   3.272  20.935   0.948
   62   1HD   PRO   8          2HD       PRO   8   1.698  18.982   2.377
   63   2HD   PRO   8          1HD       PRO   8   2.002  19.070   0.626
   64    H    ASP   9           HN       ASP   9   3.471  17.244   3.844
   65    HA   ASP   9           HA       ASP   9   5.557  17.262   5.898
   66   1HB   ASP   9          2HB       ASP   9   3.744  16.197   7.222
   67   2HB   ASP   9          1HB       ASP   9   3.166  17.630   6.371
   68    H    GLY  10           HN       GLY  10   4.951  15.267   3.271
   69   1HA   GLY  10          1HA       GLY  10   6.639  13.140   4.416
   70   2HA   GLY  10          2HA       GLY  10   6.156  13.281   2.726
   71    H    ARG  11           HN       ARG  11   3.292  13.711   3.651
   72    HA   ARG  11           HA       ARG  11   2.687  10.865   4.390
   73   1HB   ARG  11          2HB       ARG  11   1.205  13.455   4.953
   74   2HB   ARG  11          1HB       ARG  11   0.644  11.852   5.430
   75   1HG   ARG  11          2HG       ARG  11   2.751  11.546   6.734
   76   2HG   ARG  11          1HG       ARG  11   3.212  13.198   6.322
   77   1HD   ARG  11          2HD       ARG  11   1.066  13.990   7.392
   78   2HD   ARG  11          1HD       ARG  11   0.796  12.326   7.947
   79    HE   ARG  11           HE       ARG  11   3.168  13.995   8.711
   80   1HH1  ARG  11          1HH1      ARG  11   2.746  10.809   8.754
   81   2HH1  ARG  11          2HH1      ARG  11   2.611  10.600  10.469
   82   1HH2  ARG  11          1HH2      ARG  11   2.233  13.986  11.117
   83   2HH2  ARG  11          2HH2      ARG  11   2.321  12.399  11.806
   84    H    CYS  12           HN       CYS  12   1.075   9.817   3.161
   85    HA   CYS  12           HA       CYS  12  -0.077  11.367   0.865
   86   1HB   CYS  12          2HB       CYS  12   1.145   8.589   0.927
   87   2HB   CYS  12          1HB       CYS  12   0.336   9.289  -0.474
   88    H    THR  13           HN       THR  13  -2.151  10.553   0.126
   89    HA   THR  13           HA       THR  13  -3.810   9.443   2.259
   90    HB   THR  13           HB       THR  13  -5.569   9.726   0.489
   91    HG1  THR  13          1HG       THR  13  -4.707   9.466  -1.424
   92   1HG2  THR  13          2HG2      THR  13  -4.552  11.611   1.972
   93   2HG2  THR  13          1HG2      THR  13  -3.797  12.157   0.476
   94   3HG2  THR  13          3HG2      THR  13  -5.554  12.070   0.596
   95    H    LYS  14           HN       LYS  14  -5.296   7.538   1.728
   96    HA   LYS  14           HA       LYS  14  -3.754   5.423   0.258
   97   1HB   LYS  14          2HB       LYS  14  -5.664   5.219   2.610
   98   2HB   LYS  14          1HB       LYS  14  -4.749   3.885   1.908
   99   1HG   LYS  14          2HG       LYS  14  -3.539   6.367   3.167
  100   2HG   LYS  14          1HG       LYS  14  -3.634   4.780   3.931
  101   1HD   LYS  14          2HD       LYS  14  -2.308   3.839   2.030
  102   2HD   LYS  14          1HD       LYS  14  -2.132   5.472   1.389
  103   1HE   LYS  14          2HE       LYS  14  -0.141   5.018   2.684
  104   2HE   LYS  14          1HE       LYS  14  -1.137   6.105   3.671
  105   1HZ   LYS  14          1HZ       LYS  14  -1.704   3.252   3.879
  106   2HZ   LYS  14          3HZ       LYS  14  -0.241   3.767   4.565
  107   3HZ   LYS  14          2HZ       LYS  14  -1.708   4.448   5.086

  No H/Q in entry =         107
  Start of MODEL    8
    1    H1   SER   1          3H        SER   1 -10.202   5.811  -9.722
    2    H2   SER   1          2H        SER   1  -9.862   5.058  -8.237
    3    H3   SER   1          1H        SER   1 -11.469   5.398  -8.674
    4    HA   SER   1           HA       SER   1 -11.276   7.647  -8.247
    5   1HB   SER   1          2HB       SER   1  -9.625   7.528  -6.116
    6   2HB   SER   1          1HB       SER   1 -11.216   6.765  -6.118
    7    HG   SER   1           HG       SER   1  -8.692   5.591  -6.597
    8    H    ILE   2           HN       ILE   2  -9.698   9.499  -7.689
    9    HA   ILE   2           HA       ILE   2  -7.784   9.832  -9.804
   10    HB   ILE   2           HB       ILE   2  -7.199  11.869  -8.383
   11   1HG1  ILE   2          2HG1      ILE   2  -9.445  11.686  -6.626
   12   2HG1  ILE   2          1HG1      ILE   2  -8.462  10.239  -6.402
   13   1HG2  ILE   2          3HG2      ILE   2  -9.861  11.110  -9.448
   14   2HG2  ILE   2          2HG2      ILE   2  -9.831  12.529  -8.402
   15   3HG2  ILE   2          1HG2      ILE   2  -8.837  12.485  -9.857
   16   1HD1  ILE   2          1HD1      ILE   2  -7.230  12.996  -6.493
   17   2HD1  ILE   2          3HD1      ILE   2  -7.841  12.304  -4.990
   18   3HD1  ILE   2          2HD1      ILE   2  -6.529  11.507  -5.859
   19    HA   PRO   3           HA       PRO   3  -4.054   8.105  -8.257
   20   1HB   PRO   3          2HB       PRO   3  -2.465  10.476  -8.622
   21   2HB   PRO   3          1HB       PRO   3  -2.572   9.065  -9.677
   22   1HG   PRO   3          2HG       PRO   3  -3.628  11.696 -10.139
   23   2HG   PRO   3          1HG       PRO   3  -3.738  10.283 -11.191
   24   1HD   PRO   3          2HD       PRO   3  -5.845  11.509  -9.640
   25   2HD   PRO   3          1HD       PRO   3  -5.958  10.089 -10.707
   26    HA   PRO   4           HA       PRO   4  -3.677   9.285  -4.022
   27   1HB   PRO   4          2HB       PRO   4  -0.890   8.589  -3.897
   28   2HB   PRO   4          1HB       PRO   4  -2.273   7.640  -3.348
   29   1HG   PRO   4          2HG       PRO   4  -0.597   7.157  -5.629
   30   2HG   PRO   4          1HG       PRO   4  -1.980   6.210  -5.080
   31   1HD   PRO   4          2HD       PRO   4  -1.815   7.926  -7.396
   32   2HD   PRO   4          1HD       PRO   4  -3.210   6.970  -6.843
   33    H    ILE   5           HN       ILE   5  -2.799  11.022  -2.749
   34    HA   ILE   5           HA       ILE   5  -1.034  12.926  -4.259
   35    HB   ILE   5           HB       ILE   5  -3.293  13.471  -2.303
   36   1HG1  ILE   5          2HG1      ILE   5  -3.184  13.935  -5.297
   37   2HG1  ILE   5          1HG1      ILE   5  -3.970  12.544  -4.550
   38   1HG2  ILE   5          1HG2      ILE   5  -1.554  15.298  -3.986
   39   2HG2  ILE   5          3HG2      ILE   5  -3.005  15.823  -3.134
   40   3HG2  ILE   5          2HG2      ILE   5  -1.616  15.228  -2.226
   41   1HD1  ILE   5          2HD1      ILE   5  -5.112  14.504  -3.099
   42   2HD1  ILE   5          1HD1      ILE   5  -4.802  15.404  -4.585
   43   3HD1  ILE   5          3HD1      ILE   5  -5.792  13.944  -4.627
   44    H    CYS   6           HN       CYS   6   0.770  13.635  -3.146
   45    HA   CYS   6           HA       CYS   6   1.059  12.741  -0.300
   46   1HB   CYS   6          2HB       CYS   6   2.918  13.103  -2.642
   47   2HB   CYS   6          1HB       CYS   6   3.557  13.089  -0.998
   48    H    PHE   7           HN       PHE   7   2.036  14.249   1.192
   49    HA   PHE   7           HA       PHE   7   1.943  17.109   0.280
   50   1HB   PHE   7          2HB       PHE   7   1.019  15.661   2.753
   51   2HB   PHE   7          1HB       PHE   7   1.401  17.381   2.835
   52    HD1  PHE   7           HD1      PHE   7  -0.822  14.842   1.335
   53    HD2  PHE   7           HD2      PHE   7   0.042  19.035   1.686
   54    HE1  PHE   7           HE1      PHE   7  -3.027  15.380   0.337
   55    HE2  PHE   7           HE2      PHE   7  -2.163  19.573   0.687
   56    HZ   PHE   7           HZ       PHE   7  -3.698  17.745   0.013
   57    HA   PRO   8           HA       PRO   8   6.075  17.713   1.640
   58   1HB   PRO   8          2HB       PRO   8   5.506  19.996   3.297
   59   2HB   PRO   8          1HB       PRO   8   6.148  19.978   1.652
   60   1HG   PRO   8          2HG       PRO   8   3.524  20.768   2.515
   61   2HG   PRO   8          1HG       PRO   8   4.166  20.751   0.870
   62   1HD   PRO   8          2HD       PRO   8   2.206  18.973   2.026
   63   2HD   PRO   8          1HD       PRO   8   2.854  18.955   0.370
   64    H    ASP   9           HN       ASP   9   3.510  17.347   3.937
   65    HA   ASP   9           HA       ASP   9   5.249  17.197   6.302
   66   1HB   ASP   9          2HB       ASP   9   3.104  16.623   7.396
   67   2HB   ASP   9          1HB       ASP   9   2.923  18.039   6.358
   68    H    GLY  10           HN       GLY  10   4.998  15.201   3.741
   69   1HA   GLY  10          1HA       GLY  10   5.908  12.878   5.254
   70   2HA   GLY  10          2HA       GLY  10   5.739  12.969   3.501
   71    H    ARG  11           HN       ARG  11   2.900  13.970   3.875
   72    HA   ARG  11           HA       ARG  11   1.627  11.413   4.784
   73   1HB   ARG  11          2HB       ARG  11   1.102  13.612   5.921
   74   2HB   ARG  11          1HB       ARG  11   0.411  14.166   4.397
   75   1HG   ARG  11          2HG       ARG  11  -1.172  12.264   4.431
   76   2HG   ARG  11          1HG       ARG  11  -0.490  11.731   5.968
   77   1HD   ARG  11          2HD       ARG  11  -1.140  13.920   6.983
   78   2HD   ARG  11          1HD       ARG  11  -1.902  14.374   5.449
   79    HE   ARG  11           HE       ARG  11  -2.719  11.777   6.624
   80   1HH1  ARG  11          1HH1      ARG  11  -4.104  13.651   4.542
   81   2HH1  ARG  11          2HH1      ARG  11  -5.467  14.170   5.475
   82   1HH2  ARG  11          1HH2      ARG  11  -4.155  13.073   8.492
   83   2HH2  ARG  11          2HH2      ARG  11  -5.497  13.843   7.711
   84    H    CYS  12           HN       CYS  12   0.601  10.193   3.236
   85    HA   CYS  12           HA       CYS  12  -0.024  11.493   0.603
   86   1HB   CYS  12          2HB       CYS  12   1.186   8.782   1.232
   87   2HB   CYS  12          1HB       CYS  12   0.682   9.286  -0.380
   88    H    THR  13           HN       THR  13  -1.881  10.585  -0.493
   89    HA   THR  13           HA       THR  13  -3.818   9.286   1.363
   90    HB   THR  13           HB       THR  13  -5.466  10.214  -0.112
   91    HG1  THR  13          1HG       THR  13  -5.077  10.302  -2.157
   92   1HG2  THR  13          2HG2      THR  13  -3.846  11.794   1.252
   93   2HG2  THR  13          1HG2      THR  13  -3.337  12.307  -0.357
   94   3HG2  THR  13          3HG2      THR  13  -5.023  12.479   0.132
   95    H    LYS  14           HN       LYS  14  -5.325   7.654   0.226
   96    HA   LYS  14           HA       LYS  14  -3.906   5.383  -0.669
   97   1HB   LYS  14          2HB       LYS  14  -6.258   5.570   0.242
   98   2HB   LYS  14          1HB       LYS  14  -6.760   6.163  -1.340
   99   1HG   LYS  14          2HG       LYS  14  -5.887   4.073  -2.370
  100   2HG   LYS  14          1HG       LYS  14  -5.471   3.477  -0.763
  101   1HD   LYS  14          2HD       LYS  14  -7.905   3.798  -0.129
  102   2HD   LYS  14          1HD       LYS  14  -8.233   4.109  -1.832
  103   1HE   LYS  14          2HE       LYS  14  -6.676   1.641  -1.175
  104   2HE   LYS  14          1HE       LYS  14  -8.415   1.635  -0.825
  105   1HZ   LYS  14          1HZ       LYS  14  -7.283   2.593  -3.397
  106   2HZ   LYS  14          3HZ       LYS  14  -7.781   0.989  -3.165
  107   3HZ   LYS  14          2HZ       LYS  14  -8.909   2.254  -3.040

  No H/Q in entry =         107
  Start of MODEL    9
    1    H1   SER   1          1H        SER   1 -10.315   6.519 -11.498
    2    H2   SER   1          3H        SER   1 -11.689   6.051 -10.621
    3    H3   SER   1          2H        SER   1 -11.695   7.511 -11.491
    4    HA   SER   1           HA       SER   1 -11.341   8.242  -9.327
    5   1HB   SER   1          2HB       SER   1  -9.727   5.684  -9.197
    6   2HB   SER   1          1HB       SER   1  -9.686   6.886  -7.906
    7    HG   SER   1           HG       SER   1 -11.272   5.257  -7.568
    8    H    ILE   2           HN       ILE   2  -8.983   8.826  -8.184
    9    HA   ILE   2           HA       ILE   2  -7.169   9.625 -10.440
   10    HB   ILE   2           HB       ILE   2  -6.834  11.701  -8.953
   11   1HG1  ILE   2          2HG1      ILE   2  -9.512  11.018  -7.793
   12   2HG1  ILE   2          1HG1      ILE   2  -8.068  10.343  -7.037
   13   1HG2  ILE   2          1HG2      ILE   2  -9.185  10.944 -10.593
   14   2HG2  ILE   2          3HG2      ILE   2  -9.388  12.382  -9.591
   15   3HG2  ILE   2          2HG2      ILE   2  -8.080  12.307 -10.771
   16   1HD1  ILE   2          1HD1      ILE   2  -8.205  13.278  -7.693
   17   2HD1  ILE   2          3HD1      ILE   2  -8.945  12.663  -6.216
   18   3HD1  ILE   2          2HD1      ILE   2  -7.214  12.460  -6.485
   19    HA   PRO   3           HA       PRO   3  -3.806   7.902  -8.197
   20   1HB   PRO   3          2HB       PRO   3  -2.102  10.201  -8.500
   21   2HB   PRO   3          1HB       PRO   3  -2.091   8.707  -9.441
   22   1HG   PRO   3          2HG       PRO   3  -2.977  11.310 -10.271
   23   2HG   PRO   3          1HG       PRO   3  -2.968   9.817 -11.212
   24   1HD   PRO   3          2HD       PRO   3  -5.249  11.208 -10.118
   25   2HD   PRO   3          1HD       PRO   3  -5.240   9.703 -11.068
   26    HA   PRO   4           HA       PRO   4  -4.106   9.446  -4.069
   27   1HB   PRO   4          2HB       PRO   4  -1.445   8.581  -3.399
   28   2HB   PRO   4          1HB       PRO   4  -2.976   7.783  -3.028
   29   1HG   PRO   4          2HG       PRO   4  -0.981   6.976  -4.930
   30   2HG   PRO   4          1HG       PRO   4  -2.513   6.180  -4.561
   31   1HD   PRO   4          2HD       PRO   4  -1.810   7.660  -6.940
   32   2HD   PRO   4          1HD       PRO   4  -3.352   6.852  -6.572
   33    H    ILE   5           HN       ILE   5  -3.351  11.254  -2.834
   34    HA   ILE   5           HA       ILE   5  -1.289  12.939  -4.215
   35    HB   ILE   5           HB       ILE   5  -3.625  13.672  -2.418
   36   1HG1  ILE   5          2HG1      ILE   5  -3.268  14.013  -5.411
   37   2HG1  ILE   5          1HG1      ILE   5  -4.261  12.764  -4.657
   38   1HG2  ILE   5          2HG2      ILE   5  -1.714  15.263  -2.329
   39   2HG2  ILE   5          1HG2      ILE   5  -1.785  15.416  -4.085
   40   3HG2  ILE   5          3HG2      ILE   5  -3.134  15.976  -3.095
   41   1HD1  ILE   5          1HD1      ILE   5  -4.802  15.489  -3.672
   42   2HD1  ILE   5          3HD1      ILE   5  -5.171  15.255  -5.382
   43   3HD1  ILE   5          2HD1      ILE   5  -5.931  14.226  -4.167
   44    H    CYS   6           HN       CYS   6   0.399  13.783  -2.958
   45    HA   CYS   6           HA       CYS   6   0.528  12.824  -0.117
   46   1HB   CYS   6          2HB       CYS   6   2.652  13.345  -2.221
   47   2HB   CYS   6          1HB       CYS   6   3.011  12.911  -0.549
   48    H    PHE   7           HN       PHE   7   1.455  14.310   1.433
   49    HA   PHE   7           HA       PHE   7   1.231  17.177   0.606
   50   1HB   PHE   7          2HB       PHE   7   1.097  15.794   3.306
   51   2HB   PHE   7          1HB       PHE   7   0.839  17.517   3.036
   52    HD1  PHE   7           HD1      PHE   7  -0.675  17.464   0.477
   53    HD2  PHE   7           HD2      PHE   7  -1.031  15.007   3.983
   54    HE1  PHE   7           HE1      PHE   7  -3.053  17.022  -0.074
   55    HE2  PHE   7           HE2      PHE   7  -3.409  14.565   3.431
   56    HZ   PHE   7           HZ       PHE   7  -4.419  15.572   1.404
   57    HA   PRO   8           HA       PRO   8   5.496  17.992   1.266
   58   1HB   PRO   8          2HB       PRO   8   5.080  20.225   3.033
   59   2HB   PRO   8          1HB       PRO   8   5.444  20.257   1.306
   60   1HG   PRO   8          2HG       PRO   8   2.957  20.888   2.597
   61   2HG   PRO   8          1HG       PRO   8   3.321  20.920   0.871
   62   1HD   PRO   8          2HD       PRO   8   1.679  19.025   2.301
   63   2HD   PRO   8          1HD       PRO   8   2.046  19.057   0.561
   64    H    ASP   9           HN       ASP   9   3.379  17.322   3.884
   65    HA   ASP   9           HA       ASP   9   5.334  17.422   6.042
   66   1HB   ASP   9          2HB       ASP   9   3.496  16.275   7.263
   67   2HB   ASP   9          1HB       ASP   9   2.901  17.667   6.358
   68    H    GLY  10           HN       GLY  10   4.922  15.329   3.427
   69   1HA   GLY  10          1HA       GLY  10   6.685  13.328   4.695
   70   2HA   GLY  10          2HA       GLY  10   6.281  13.411   2.980
   71    H    ARG  11           HN       ARG  11   3.357  13.697   3.730
   72    HA   ARG  11           HA       ARG  11   2.871  10.826   4.465
   73   1HB   ARG  11          2HB       ARG  11   1.306  13.358   5.055
   74   2HB   ARG  11          1HB       ARG  11   0.727  11.735   5.427
   75   1HG   ARG  11          2HG       ARG  11   2.814  11.378   6.787
   76   2HG   ARG  11          1HG       ARG  11   3.217  13.075   6.521
   77   1HD   ARG  11          2HD       ARG  11   2.075  12.926   8.660
   78   2HD   ARG  11          1HD       ARG  11   0.933  13.648   7.512
   79    HE   ARG  11           HE       ARG  11  -0.262  11.558   7.447
   80   1HH1  ARG  11          1HH1      ARG  11   1.289  11.872  10.298
   81   2HH1  ARG  11          2HH1      ARG  11   1.503  10.184  10.622
   82   1HH2  ARG  11          1HH2      ARG  11   0.584   9.182   7.432
   83   2HH2  ARG  11          2HH2      ARG  11   1.104   8.661   9.001
   84    H    CYS  12           HN       CYS  12   1.301   9.728   3.210
   85    HA   CYS  12           HA       CYS  12   0.248  11.230   0.833
   86   1HB   CYS  12          2HB       CYS  12   1.406   8.445   1.130
   87   2HB   CYS  12          1HB       CYS  12   0.545   8.975  -0.315
   88    H    THR  13           HN       THR  13  -1.843  10.492   0.063
   89    HA   THR  13           HA       THR  13  -3.617   9.555   2.199
   90    HB   THR  13           HB       THR  13  -5.335  10.005   0.492
   91    HG1  THR  13          1HG       THR  13  -4.251   9.191  -1.301
   92   1HG2  THR  13          3HG2      THR  13  -3.315  11.869   1.361
   93   2HG2  THR  13          2HG2      THR  13  -3.900  12.327  -0.239
   94   3HG2  THR  13          1HG2      THR  13  -5.037  12.148   1.097
   95    H    LYS  14           HN       LYS  14  -5.162   7.715   1.750
   96    HA   LYS  14           HA       LYS  14  -3.675   5.413   0.586
   97   1HB   LYS  14          2HB       LYS  14  -6.145   5.664   2.335
   98   2HB   LYS  14          1HB       LYS  14  -5.410   4.133   1.859
   99   1HG   LYS  14          2HG       LYS  14  -3.309   4.781   2.962
  100   2HG   LYS  14          1HG       LYS  14  -4.009   6.338   3.404
  101   1HD   LYS  14          2HD       LYS  14  -4.206   4.907   5.331
  102   2HD   LYS  14          1HD       LYS  14  -5.819   5.057   4.635
  103   1HE   LYS  14          2HE       LYS  14  -5.006   2.892   3.265
  104   2HE   LYS  14          1HE       LYS  14  -4.006   2.685   4.716
  105   1HZ   LYS  14          2HZ       LYS  14  -6.007   3.056   6.064
  106   2HZ   LYS  14          1HZ       LYS  14  -6.946   3.151   4.651
  107   3HZ   LYS  14          3HZ       LYS  14  -6.179   1.695   5.061

  No H/Q in entry =         107
  Start of MODEL   10
    1    H1   SER   1          2H        SER   1 -10.096   5.604 -10.153
    2    H2   SER   1          1H        SER   1 -11.504   5.230  -9.281
    3    H3   SER   1          3H        SER   1 -11.507   6.522 -10.379
    4    HA   SER   1           HA       SER   1 -11.340   7.522  -8.259
    5   1HB   SER   1          2HB       SER   1  -9.261   6.522  -6.897
    6   2HB   SER   1          1HB       SER   1 -10.855   5.772  -6.821
    7    HG   SER   1           HG       SER   1  -8.624   4.676  -7.632
    8    H    ILE   2           HN       ILE   2  -9.246   8.753  -7.333
    9    HA   ILE   2           HA       ILE   2  -7.706   9.644  -9.733
   10    HB   ILE   2           HB       ILE   2  -7.319  11.652  -8.233
   11   1HG1  ILE   2          2HG1      ILE   2  -9.522  10.666  -6.478
   12   2HG1  ILE   2          1HG1      ILE   2  -7.907  10.017  -6.190
   13   1HG2  ILE   2          2HG2      ILE   2  -9.267  11.317  -9.896
   14   2HG2  ILE   2          1HG2      ILE   2 -10.260  11.007  -8.472
   15   3HG2  ILE   2          3HG2      ILE   2  -9.462  12.568  -8.668
   16   1HD1  ILE   2          2HD1      ILE   2  -7.494  12.757  -6.557
   17   2HD1  ILE   2          1HD1      ILE   2  -8.965  12.665  -5.589
   18   3HD1  ILE   2          3HD1      ILE   2  -7.484  11.899  -5.016
   19    HA   PRO   3           HA       PRO   3  -3.865   8.115  -8.247
   20   1HB   PRO   3          2HB       PRO   3  -2.454  10.605  -8.543
   21   2HB   PRO   3          1HB       PRO   3  -2.462   9.222  -9.639
   22   1HG   PRO   3          2HG       PRO   3  -3.709  11.781 -10.019
   23   2HG   PRO   3          1HG       PRO   3  -3.716  10.398 -11.116
   24   1HD   PRO   3          2HD       PRO   3  -5.905  11.416  -9.531
   25   2HD   PRO   3          1HD       PRO   3  -5.913  10.022 -10.636
   26    HA   PRO   4           HA       PRO   4  -3.612   9.199  -3.974
   27   1HB   PRO   4          2HB       PRO   4  -0.802   8.598  -3.835
   28   2HB   PRO   4          1HB       PRO   4  -2.156   7.589  -3.323
   29   1HG   PRO   4          2HG       PRO   4  -0.441   7.221  -5.598
   30   2HG   PRO   4          1HG       PRO   4  -1.796   6.212  -5.087
   31   1HD   PRO   4          2HD       PRO   4  -1.668   7.988  -7.360
   32   2HD   PRO   4          1HD       PRO   4  -3.034   6.971  -6.844
   33    H    ILE   5           HN       ILE   5  -2.858  10.957  -2.675
   34    HA   ILE   5           HA       ILE   5  -1.133  12.953  -4.109
   35    HB   ILE   5           HB       ILE   5  -3.410  13.369  -2.143
   36   1HG1  ILE   5          2HG1      ILE   5  -3.305  13.813  -5.144
   37   2HG1  ILE   5          1HG1      ILE   5  -4.124  12.466  -4.354
   38   1HG2  ILE   5          1HG2      ILE   5  -1.623  15.239  -3.707
   39   2HG2  ILE   5          3HG2      ILE   5  -3.199  15.749  -3.100
   40   3HG2  ILE   5          2HG2      ILE   5  -1.945  15.234  -1.973
   41   1HD1  ILE   5          1HD1      ILE   5  -4.806  15.173  -3.345
   42   2HD1  ILE   5          3HD1      ILE   5  -5.370  14.790  -4.972
   43   3HD1  ILE   5          2HD1      ILE   5  -5.849  13.776  -3.611
   44    H    CYS   6           HN       CYS   6   0.631  13.715  -2.962
   45    HA   CYS   6           HA       CYS   6   0.910  12.794  -0.119
   46   1HB   CYS   6          2HB       CYS   6   2.862  13.208  -2.396
   47   2HB   CYS   6          1HB       CYS   6   3.395  12.986  -0.729
   48    H    PHE   7           HN       PHE   7   1.703  14.320   1.398
   49    HA   PHE   7           HA       PHE   7   1.631  17.169   0.474
   50   1HB   PHE   7          2HB       PHE   7   1.304  15.967   3.243
   51   2HB   PHE   7          1HB       PHE   7   0.968  17.634   2.778
   52    HD1  PHE   7           HD1      PHE   7  -0.392  17.328   0.197
   53    HD2  PHE   7           HD2      PHE   7  -0.775  15.014   3.796
   54    HE1  PHE   7           HE1      PHE   7  -2.692  16.681  -0.465
   55    HE2  PHE   7           HE2      PHE   7  -3.076  14.366   3.133
   56    HZ   PHE   7           HZ       PHE   7  -4.034  15.200   1.004
   57    HA   PRO   8           HA       PRO   8   5.860  17.843   1.454
   58   1HB   PRO   8          2HB       PRO   8   5.397  20.142   3.122
   59   2HB   PRO   8          1HB       PRO   8   5.898  20.108   1.429
   60   1HG   PRO   8          2HG       PRO   8   3.343  20.871   2.500
   61   2HG   PRO   8          1HG       PRO   8   3.845  20.840   0.808
   62   1HD   PRO   8          2HD       PRO   8   2.018  19.051   2.147
   63   2HD   PRO   8          1HD       PRO   8   2.526  19.016   0.443
   64    H    ASP   9           HN       ASP   9   3.517  17.331   3.911
   65    HA   ASP   9           HA       ASP   9   5.393  17.348   6.173
   66   1HB   ASP   9          2HB       ASP   9   3.371  16.582   7.383
   67   2HB   ASP   9          1HB       ASP   9   3.008  17.975   6.363
   68    H    GLY  10           HN       GLY  10   4.940  15.257   3.626
   69   1HA   GLY  10          1HA       GLY  10   6.227  13.055   5.093
   70   2HA   GLY  10          2HA       GLY  10   5.966  13.125   3.350
   71    H    ARG  11           HN       ARG  11   3.073  13.886   3.872
   72    HA   ARG  11           HA       ARG  11   2.076  11.212   4.794
   73   1HB   ARG  11          2HB       ARG  11   1.394  13.168   6.129
   74   2HB   ARG  11          1HB       ARG  11   0.762  13.947   4.679
   75   1HG   ARG  11          2HG       ARG  11  -1.114  12.936   5.796
   76   2HG   ARG  11          1HG       ARG  11  -0.756  11.931   4.391
   77   1HD   ARG  11          2HD       ARG  11   0.568  10.402   5.861
   78   2HD   ARG  11          1HD       ARG  11   0.094  11.384   7.260
   79    HE   ARG  11           HE       ARG  11  -1.701   9.650   5.669
   80   1HH1  ARG  11          1HH1      ARG  11  -1.397  10.017   8.745
   81   2HH1  ARG  11          2HH1      ARG  11  -2.918  10.763   9.110
   82   1HH2  ARG  11          1HH2      ARG  11  -3.631  11.538   5.806
   83   2HH2  ARG  11          2HH2      ARG  11  -4.182  11.624   7.445
   84    H    CYS  12           HN       CYS  12   0.925   9.991   3.319
   85    HA   CYS  12           HA       CYS  12   0.156  11.304   0.730
   86   1HB   CYS  12          2HB       CYS  12   1.394   8.604   1.336
   87   2HB   CYS  12          1HB       CYS  12   0.738   9.029  -0.245
   88    H    THR  13           HN       THR  13  -1.766  10.414  -0.272
   89    HA   THR  13           HA       THR  13  -3.539   8.943   1.649
   90    HB   THR  13           HB       THR  13  -5.353  10.149   0.540
   91    HG1  THR  13          1HG       THR  13  -4.695  11.695  -1.105
   92   1HG2  THR  13          3HG2      THR  13  -3.616  11.274   2.222
   93   2HG2  THR  13          2HG2      THR  13  -3.296  12.294   0.820
   94   3HG2  THR  13          1HG2      THR  13  -4.924  12.205   1.492
   95    H    LYS  14           HN       LYS  14  -5.273   7.623   0.438
   96    HA   LYS  14           HA       LYS  14  -3.942   5.810  -1.433
   97   1HB   LYS  14          2HB       LYS  14  -6.747   6.018  -0.293
   98   2HB   LYS  14          1HB       LYS  14  -6.178   4.661  -1.268
   99   1HG   LYS  14          2HG       LYS  14  -4.343   4.300   0.395
  100   2HG   LYS  14          1HG       LYS  14  -5.042   5.574   1.392
  101   1HD   LYS  14          2HD       LYS  14  -7.180   4.283   1.471
  102   2HD   LYS  14          1HD       LYS  14  -6.394   2.985   0.572
  103   1HE   LYS  14          2HE       LYS  14  -5.899   2.192   2.674
  104   2HE   LYS  14          1HE       LYS  14  -4.591   3.389   2.603
  105   1HZ   LYS  14          1HZ       LYS  14  -7.348   4.063   3.473
  106   2HZ   LYS  14          3HZ       LYS  14  -6.148   3.577   4.569
  107   3HZ   LYS  14          2HZ       LYS  14  -5.940   4.995   3.658

  No H/Q in entry =         107
  Start of MODEL   11
    1    H1   SER   1          2H        SER   1 -11.960   8.585 -10.991
    2    H2   SER   1          1H        SER   1 -11.356   7.021 -10.710
    3    H3   SER   1          3H        SER   1 -12.774   7.533  -9.933
    4    HA   SER   1           HA       SER   1 -11.564   9.134  -8.624
    5   1HB   SER   1          2HB       SER   1 -11.759   6.950  -7.689
    6   2HB   SER   1          1HB       SER   1 -10.557   6.288  -8.798
    7    HG   SER   1           HG       SER   1  -9.124   6.778  -7.374
    8    H    ILE   2           HN       ILE   2  -8.993   9.094  -7.795
    9    HA   ILE   2           HA       ILE   2  -7.294   9.503 -10.226
   10    HB   ILE   2           HB       ILE   2  -6.495  11.602  -8.961
   11   1HG1  ILE   2          2HG1      ILE   2  -9.168  11.487  -7.601
   12   2HG1  ILE   2          1HG1      ILE   2  -7.793  10.671  -6.857
   13   1HG2  ILE   2          1HG2      ILE   2  -9.224  11.252 -10.190
   14   2HG2  ILE   2          3HG2      ILE   2  -8.697  12.835  -9.618
   15   3HG2  ILE   2          2HG2      ILE   2  -7.789  12.008 -10.884
   16   1HD1  ILE   2          1HD1      ILE   2  -7.863  13.589  -7.688
   17   2HD1  ILE   2          3HD1      ILE   2  -8.016  12.997  -6.034
   18   3HD1  ILE   2          2HD1      ILE   2  -6.505  12.770  -6.915
   19    HA   PRO   3           HA       PRO   3  -4.071   7.476  -8.037
   20   1HB   PRO   3          2HB       PRO   3  -2.086   9.512  -8.474
   21   2HB   PRO   3          1HB       PRO   3  -2.310   8.004  -9.363
   22   1HG   PRO   3          2HG       PRO   3  -2.868  10.678 -10.254
   23   2HG   PRO   3          1HG       PRO   3  -3.093   9.169 -11.142
   24   1HD   PRO   3          2HD       PRO   3  -5.127  10.887 -10.027
   25   2HD   PRO   3          1HD       PRO   3  -5.353   9.366 -10.922
   26    HA   PRO   4           HA       PRO   4  -3.872   9.116  -3.951
   27   1HB   PRO   4          2HB       PRO   4  -1.185   8.201  -3.483
   28   2HB   PRO   4          1HB       PRO   4  -2.695   7.449  -2.965
   29   1HG   PRO   4          2HG       PRO   4  -0.887   6.552  -5.009
   30   2HG   PRO   4          1HG       PRO   4  -2.397   5.799  -4.488
   31   1HD   PRO   4          2HD       PRO   4  -1.875   7.200  -6.958
   32   2HD   PRO   4          1HD       PRO   4  -3.398   6.444  -6.433
   33    H    ILE   5           HN       ILE   5  -2.984  10.936  -2.835
   34    HA   ILE   5           HA       ILE   5  -0.893  12.468  -4.351
   35    HB   ILE   5           HB       ILE   5  -3.273  13.448  -2.739
   36   1HG1  ILE   5          2HG1      ILE   5  -2.797  13.454  -5.736
   37   2HG1  ILE   5          1HG1      ILE   5  -3.859  12.325  -4.893
   38   1HG2  ILE   5          3HG2      ILE   5  -1.087  14.866  -2.955
   39   2HG2  ILE   5          2HG2      ILE   5  -1.601  15.090  -4.628
   40   3HG2  ILE   5          1HG2      ILE   5  -2.636  15.633  -3.306
   41   1HD1  ILE   5          1HD1      ILE   5  -4.290  15.210  -4.320
   42   2HD1  ILE   5          3HD1      ILE   5  -4.736  14.662  -5.935
   43   3HD1  ILE   5          2HD1      ILE   5  -5.469  13.913  -4.517
   44    H    CYS   6           HN       CYS   6   0.748  13.424  -3.098
   45    HA   CYS   6           HA       CYS   6   0.750  12.699  -0.187
   46   1HB   CYS   6          2HB       CYS   6   2.956  13.066  -2.236
   47   2HB   CYS   6          1HB       CYS   6   3.251  12.778  -0.522
   48    H    PHE   7           HN       PHE   7   1.549  14.307   1.291
   49    HA   PHE   7           HA       PHE   7   1.466  17.099   0.207
   50   1HB   PHE   7          2HB       PHE   7   0.905  15.935   2.954
   51   2HB   PHE   7          1HB       PHE   7   0.791  17.647   2.549
   52    HD1  PHE   7           HD1      PHE   7  -0.337  17.428  -0.225
   53    HD2  PHE   7           HD2      PHE   7  -1.364  15.377   3.407
   54    HE1  PHE   7           HE1      PHE   7  -2.639  17.073  -1.076
   55    HE2  PHE   7           HE2      PHE   7  -3.665  15.022   2.557
   56    HZ   PHE   7           HZ       PHE   7  -4.304  15.871   0.315
   57    HA   PRO   8           HA       PRO   8   5.626  17.891   1.374
   58   1HB   PRO   8          2HB       PRO   8   5.045  20.273   2.877
   59   2HB   PRO   8          1HB       PRO   8   5.638  20.151   1.219
   60   1HG   PRO   8          2HG       PRO   8   3.020  20.937   2.104
   61   2HG   PRO   8          1HG       PRO   8   3.613  20.814   0.446
   62   1HD   PRO   8          2HD       PRO   8   1.738  19.078   1.793
   63   2HD   PRO   8          1HD       PRO   8   2.334  18.954   0.121
   64    H    ASP   9           HN       ASP   9   3.158  17.484   3.726
   65    HA   ASP   9           HA       ASP   9   4.778  17.753   6.123
   66   1HB   ASP   9          2HB       ASP   9   2.786  16.670   7.145
   67   2HB   ASP   9          1HB       ASP   9   2.326  17.983   6.061
   68    H    GLY  10           HN       GLY  10   4.752  15.451   3.650
   69   1HA   GLY  10          1HA       GLY  10   6.343  13.595   5.299
   70   2HA   GLY  10          2HA       GLY  10   6.153  13.519   3.547
   71    H    ARG  11           HN       ARG  11   3.178  13.783   3.813
   72    HA   ARG  11           HA       ARG  11   2.625  10.975   4.716
   73   1HB   ARG  11          2HB       ARG  11   0.936  13.482   5.015
   74   2HB   ARG  11          1HB       ARG  11   0.445  11.863   5.517
   75   1HG   ARG  11          2HG       ARG  11   2.399  11.767   7.047
   76   2HG   ARG  11          1HG       ARG  11   2.835  13.410   6.571
   77   1HD   ARG  11          2HD       ARG  11   0.595  14.194   7.387
   78   2HD   ARG  11          1HD       ARG  11   0.276  12.550   7.972
   79    HE   ARG  11           HE       ARG  11   2.486  12.853   9.285
   80   1HH1  ARG  11          1HH1      ARG  11   0.219  14.182  10.665
   81   2HH1  ARG  11          2HH1      ARG  11   0.814  15.790  10.910
   82   1HH2  ARG  11          1HH2      ARG  11   3.368  15.481   8.584
   83   2HH2  ARG  11          2HH2      ARG  11   2.598  16.526   9.731
   84    H    CYS  12           HN       CYS  12   1.181   9.809   3.379
   85    HA   CYS  12           HA       CYS  12   0.338  11.195   0.852
   86   1HB   CYS  12          2HB       CYS  12   1.455   8.431   1.392
   87   2HB   CYS  12          1HB       CYS  12   0.713   8.875  -0.145
   88    H    THR  13           HN       THR  13  -1.626  10.244  -0.141
   89    HA   THR  13           HA       THR  13  -3.471   9.125   1.936
   90    HB   THR  13           HB       THR  13  -5.211  10.218   0.635
   91    HG1  THR  13          1HG       THR  13  -4.617  11.294  -1.302
   92   1HG2  THR  13          2HG2      THR  13  -3.005  11.575   1.792
   93   2HG2  THR  13          1HG2      THR  13  -3.442  12.460   0.331
   94   3HG2  THR  13          3HG2      THR  13  -4.650  12.174   1.583
   95    H    LYS  14           HN       LYS  14  -5.202   7.648   0.974
   96    HA   LYS  14           HA       LYS  14  -5.598   5.525  -0.017
   97   1HB   LYS  14          2HB       LYS  14  -4.555   7.245  -2.291
   98   2HB   LYS  14          1HB       LYS  14  -5.454   5.743  -2.508
   99   1HG   LYS  14          2HG       LYS  14  -7.341   6.729  -1.206
  100   2HG   LYS  14          1HG       LYS  14  -6.448   8.247  -1.115
  101   1HD   LYS  14          2HD       LYS  14  -6.385   8.306  -3.615
  102   2HD   LYS  14          1HD       LYS  14  -7.396   6.862  -3.641
  103   1HE   LYS  14          2HE       LYS  14  -8.183   9.465  -2.281
  104   2HE   LYS  14          1HE       LYS  14  -8.741   8.961  -3.888
  105   1HZ   LYS  14          2HZ       LYS  14  -9.249   6.750  -2.614
  106   2HZ   LYS  14          1HZ       LYS  14  -9.309   7.773  -1.258
  107   3HZ   LYS  14          3HZ       LYS  14 -10.358   8.037  -2.564

  No H/Q in entry =         107
  Start of MODEL   12
    1    H1   SER   1          2H        SER   1  -8.819   5.369 -10.146
    2    H2   SER   1          1H        SER   1 -10.305   4.757  -9.594
    3    H3   SER   1          3H        SER   1 -10.263   5.792 -10.936
    4    HA   SER   1           HA       SER   1 -10.906   7.271  -9.311
    5   1HB   SER   1          2HB       SER   1  -9.025   6.281  -7.250
    6   2HB   SER   1          1HB       SER   1 -10.733   6.697  -7.104
    7    HG   SER   1           HG       SER   1  -9.912   4.349  -7.028
    8    H    ILE   2           HN       ILE   2  -9.699   9.148  -8.262
    9    HA   ILE   2           HA       ILE   2  -7.567  10.077  -9.919
   10    HB   ILE   2           HB       ILE   2  -7.414  11.807  -8.037
   11   1HG1  ILE   2          2HG1      ILE   2  -9.902  10.778  -6.852
   12   2HG1  ILE   2          1HG1      ILE   2  -8.494   9.767  -6.530
   13   1HG2  ILE   2          2HG2      ILE   2  -9.023  11.810 -10.052
   14   2HG2  ILE   2          1HG2      ILE   2 -10.255  11.266  -8.913
   15   3HG2  ILE   2          3HG2      ILE   2  -9.463  12.824  -8.677
   16   1HD1  ILE   2          3HD1      ILE   2  -7.453  12.259  -6.114
   17   2HD1  ILE   2          2HD1      ILE   2  -9.116  12.498  -5.580
   18   3HD1  ILE   2          1HD1      ILE   2  -8.122  11.247  -4.835
   19    HA   PRO   3           HA       PRO   3  -3.961   8.210  -8.221
   20   1HB   PRO   3          2HB       PRO   3  -2.431  10.644  -8.348
   21   2HB   PRO   3          1HB       PRO   3  -2.414   9.289  -9.479
   22   1HG   PRO   3          2HG       PRO   3  -3.522  11.907  -9.883
   23   2HG   PRO   3          1HG       PRO   3  -3.510  10.549 -11.011
   24   1HD   PRO   3          2HD       PRO   3  -5.762  11.628  -9.557
   25   2HD   PRO   3          1HD       PRO   3  -5.751  10.265 -10.700
   26    HA   PRO   4           HA       PRO   4  -3.836   9.166  -3.920
   27   1HB   PRO   4          2HB       PRO   4  -0.999   8.749  -3.686
   28   2HB   PRO   4          1HB       PRO   4  -2.301   7.633  -3.267
   29   1HG   PRO   4          2HG       PRO   4  -0.477   7.467  -5.479
   30   2HG   PRO   4          1HG       PRO   4  -1.779   6.351  -5.062
   31   1HD   PRO   4          2HD       PRO   4  -1.682   8.219  -7.262
   32   2HD   PRO   4          1HD       PRO   4  -2.994   7.093  -6.842
   33    H    ILE   5           HN       ILE   5  -3.256  10.920  -2.530
   34    HA   ILE   5           HA       ILE   5  -1.754  13.138  -3.874
   35    HB   ILE   5           HB       ILE   5  -3.815  13.184  -1.646
   36   1HG1  ILE   5          2HG1      ILE   5  -4.144  13.876  -4.580
   37   2HG1  ILE   5          1HG1      ILE   5  -4.675  12.357  -3.857
   38   1HG2  ILE   5          3HG2      ILE   5  -2.213  15.114  -1.750
   39   2HG2  ILE   5          2HG2      ILE   5  -2.758  15.420  -3.400
   40   3HG2  ILE   5          1HG2      ILE   5  -3.887  15.578  -2.054
   41   1HD1  ILE   5          3HD1      ILE   5  -5.584  14.684  -2.339
   42   2HD1  ILE   5          2HD1      ILE   5  -6.170  14.700  -4.002
   43   3HD1  ILE   5          1HD1      ILE   5  -6.515  13.321  -2.960
   44    H    CYS   6           HN       CYS   6   0.072  13.922  -2.853
   45    HA   CYS   6           HA       CYS   6   0.668  12.877  -0.102
   46   1HB   CYS   6          2HB       CYS   6   2.415  13.393  -2.526
   47   2HB   CYS   6          1HB       CYS   6   3.069  13.045  -0.926
   48    H    PHE   7           HN       PHE   7   1.703  14.366   1.336
   49    HA   PHE   7           HA       PHE   7   1.570  17.234   0.462
   50   1HB   PHE   7          2HB       PHE   7   1.266  16.011   3.224
   51   2HB   PHE   7          1HB       PHE   7   0.977  17.695   2.788
   52    HD1  PHE   7           HD1      PHE   7  -0.441  17.462   0.227
   53    HD2  PHE   7           HD2      PHE   7  -0.836  15.129   3.812
   54    HE1  PHE   7           HE1      PHE   7  -2.775  16.899  -0.395
   55    HE2  PHE   7           HE2      PHE   7  -3.169  14.567   3.191
   56    HZ   PHE   7           HZ       PHE   7  -4.139  15.452   1.087
   57    HA   PRO   8           HA       PRO   8   5.836  17.794   1.354
   58   1HB   PRO   8          2HB       PRO   8   5.465  20.093   3.045
   59   2HB   PRO   8          1HB       PRO   8   5.929  20.057   1.342
   60   1HG   PRO   8          2HG       PRO   8   3.418  20.879   2.471
   61   2HG   PRO   8          1HG       PRO   8   3.882  20.844   0.769
   62   1HD   PRO   8          2HD       PRO   8   2.041  19.094   2.139
   63   2HD   PRO   8          1HD       PRO   8   2.509  19.058   0.423
   64    H    ASP   9           HN       ASP   9   3.534  17.323   3.856
   65    HA   ASP   9           HA       ASP   9   5.356  17.359   6.127
   66   1HB   ASP   9          2HB       ASP   9   3.386  16.335   7.250
   67   2HB   ASP   9          1HB       ASP   9   2.928  17.741   6.290
   68    H    GLY  10           HN       GLY  10   4.993  15.233   3.532
   69   1HA   GLY  10          1HA       GLY  10   6.573  13.175   4.935
   70   2HA   GLY  10          2HA       GLY  10   6.256  13.232   3.202
   71    H    ARG  11           HN       ARG  11   3.332  13.655   3.699
   72    HA   ARG  11           HA       ARG  11   2.655  10.848   4.524
   73   1HB   ARG  11          2HB       ARG  11   1.098  13.427   4.907
   74   2HB   ARG  11          1HB       ARG  11   0.571  11.829   5.431
   75   1HG   ARG  11          2HG       ARG  11   2.531  11.653   6.907
   76   2HG   ARG  11          1HG       ARG  11   3.095  13.232   6.363
   77   1HD   ARG  11          2HD       ARG  11   0.963  14.240   7.228
   78   2HD   ARG  11          1HD       ARG  11   0.528  12.650   7.885
   79    HE   ARG  11           HE       ARG  11   3.162  13.180   8.749
   80   1HH1  ARG  11          1HH1      ARG  11   0.118  13.163   9.962
   81   2HH1  ARG  11          2HH1      ARG  11   0.347  14.418  11.134
   82   1HH2  ARG  11          1HH2      ARG  11   3.427  15.395   9.878
   83   2HH2  ARG  11          2HH2      ARG  11   2.220  15.681  11.087
   84    H    CYS  12           HN       CYS  12   1.174   9.769   3.177
   85    HA   CYS  12           HA       CYS  12   0.217  11.279   0.765
   86   1HB   CYS  12          2HB       CYS  12   1.495   8.555   1.083
   87   2HB   CYS  12          1HB       CYS  12   0.600   9.001  -0.370
   88    H    THR  13           HN       THR  13  -1.807  10.467  -0.129
   89    HA   THR  13           HA       THR  13  -3.456   8.981   1.885
   90    HB   THR  13           HB       THR  13  -5.292  10.281   1.056
   91    HG1  THR  13          1HG       THR  13  -4.879  10.130  -1.134
   92   1HG2  THR  13          3HG2      THR  13  -2.765  11.944   1.168
   93   2HG2  THR  13          2HG2      THR  13  -4.390  12.628   1.186
   94   3HG2  THR  13          1HG2      THR  13  -3.857  11.581   2.503
   95    H    LYS  14           HN       LYS  14  -5.343   7.765   0.739
   96    HA   LYS  14           HA       LYS  14  -4.323   6.452  -1.761
   97   1HB   LYS  14          2HB       LYS  14  -5.695   5.270   0.677
   98   2HB   LYS  14          1HB       LYS  14  -5.286   4.361  -0.779
   99   1HG   LYS  14          2HG       LYS  14  -2.892   4.981  -0.448
  100   2HG   LYS  14          1HG       LYS  14  -3.336   5.785   1.059
  101   1HD   LYS  14          2HD       LYS  14  -4.277   3.612   1.877
  102   2HD   LYS  14          1HD       LYS  14  -3.671   2.840   0.412
  103   1HE   LYS  14          2HE       LYS  14  -1.361   3.791   1.070
  104   2HE   LYS  14          1HE       LYS  14  -2.080   4.086   2.665
  105   1HZ   LYS  14          1HZ       LYS  14  -2.498   1.488   1.346
  106   2HZ   LYS  14          3HZ       LYS  14  -1.017   1.777   2.122
  107   3HZ   LYS  14          2HZ       LYS  14  -2.467   1.858   3.005

  No H/Q in entry =         107
  Start of MODEL   13
    1    H1   SER   1          2H        SER   1  -9.177   5.218 -10.214
    2    H2   SER   1          1H        SER   1  -8.935   4.955  -8.553
    3    H3   SER   1          3H        SER   1 -10.463   4.689  -9.239
    4    HA   SER   1           HA       SER   1 -10.816   7.000  -9.609
    5   1HB   SER   1          2HB       SER   1 -11.381   6.303  -7.414
    6   2HB   SER   1          1HB       SER   1  -9.689   6.135  -6.943
    7    HG   SER   1           HG       SER   1 -11.276   8.413  -7.153
    8    H    ILE   2           HN       ILE   2  -9.752   9.198  -8.517
    9    HA   ILE   2           HA       ILE   2  -7.571   9.939 -10.161
   10    HB   ILE   2           HB       ILE   2  -7.413  11.824  -8.434
   11   1HG1  ILE   2          2HG1      ILE   2  -9.918  10.834  -7.201
   12   2HG1  ILE   2          1HG1      ILE   2  -8.452   9.977  -6.726
   13   1HG2  ILE   2          2HG2      ILE   2  -8.940  11.814 -10.435
   14   2HG2  ILE   2          1HG2      ILE   2 -10.204  11.143  -9.404
   15   3HG2  ILE   2          3HG2      ILE   2  -9.560  12.752  -9.076
   16   1HD1  ILE   2          3HD1      ILE   2  -7.423  12.301  -6.332
   17   2HD1  ILE   2          2HD1      ILE   2  -9.072  12.920  -6.436
   18   3HD1  ILE   2          1HD1      ILE   2  -8.641  11.768  -5.173
   19    HA   PRO   3           HA       PRO   3  -3.987   8.209  -8.282
   20   1HB   PRO   3          2HB       PRO   3  -2.449  10.623  -8.568
   21   2HB   PRO   3          1HB       PRO   3  -2.421   9.187  -9.595
   22   1HG   PRO   3          2HG       PRO   3  -3.517  11.771 -10.205
   23   2HG   PRO   3          1HG       PRO   3  -3.492  10.335 -11.230
   24   1HD   PRO   3          2HD       PRO   3  -5.761  11.520  -9.893
   25   2HD   PRO   3          1HD       PRO   3  -5.736  10.074 -10.930
   26    HA   PRO   4           HA       PRO   4  -4.078   9.506  -4.059
   27   1HB   PRO   4          2HB       PRO   4  -1.335   8.755  -3.624
   28   2HB   PRO   4          1HB       PRO   4  -2.790   7.853  -3.196
   29   1HG   PRO   4          2HG       PRO   4  -0.898   7.263  -5.273
   30   2HG   PRO   4          1HG       PRO   4  -2.357   6.365  -4.849
   31   1HD   PRO   4          2HD       PRO   4  -1.903   8.010  -7.179
   32   2HD   PRO   4          1HD       PRO   4  -3.370   7.098  -6.755
   33    H    ILE   5           HN       ILE   5  -3.306  11.270  -2.760
   34    HA   ILE   5           HA       ILE   5  -1.477  13.160  -4.198
   35    HB   ILE   5           HB       ILE   5  -3.633  13.637  -2.114
   36   1HG1  ILE   5          2HG1      ILE   5  -3.649  14.142  -5.105
   37   2HG1  ILE   5          1HG1      ILE   5  -4.494  12.818  -4.304
   38   1HG2  ILE   5          2HG2      ILE   5  -1.659  15.373  -3.526
   39   2HG2  ILE   5          1HG2      ILE   5  -3.286  16.016  -3.298
   40   3HG2  ILE   5          3HG2      ILE   5  -2.328  15.526  -1.900
   41   1HD1  ILE   5          2HD1      ILE   5  -4.949  15.666  -3.433
   42   2HD1  ILE   5          1HD1      ILE   5  -5.817  15.005  -4.820
   43   3HD1  ILE   5          3HD1      ILE   5  -6.002  14.265  -3.229
   44    H    CYS   6           HN       CYS   6   0.316  13.955  -3.078
   45    HA   CYS   6           HA       CYS   6   0.774  12.834  -0.334
   46   1HB   CYS   6          2HB       CYS   6   2.546  13.474  -2.695
   47   2HB   CYS   6          1HB       CYS   6   3.220  13.247  -1.081
   48    H    PHE   7           HN       PHE   7   1.771  14.255   1.223
   49    HA   PHE   7           HA       PHE   7   1.513  17.169   0.552
   50   1HB   PHE   7          2HB       PHE   7   1.224  15.726   3.207
   51   2HB   PHE   7          1HB       PHE   7   0.896  17.433   2.911
   52    HD1  PHE   7           HD1      PHE   7  -0.531  17.473   0.391
   53    HD2  PHE   7           HD2      PHE   7  -0.817  14.654   3.620
   54    HE1  PHE   7           HE1      PHE   7  -2.841  16.907  -0.308
   55    HE2  PHE   7           HE2      PHE   7  -3.128  14.088   2.921
   56    HZ   PHE   7           HZ       PHE   7  -4.140  15.214   0.957
   57    HA   PRO   8           HA       PRO   8   5.739  17.853   1.536
   58   1HB   PRO   8          2HB       PRO   8   5.248  20.017   3.368
   59   2HB   PRO   8          1HB       PRO   8   5.731  20.115   1.673
   60   1HG   PRO   8          2HG       PRO   8   3.175  20.749   2.821
   61   2HG   PRO   8          1HG       PRO   8   3.657  20.846   1.125
   62   1HD   PRO   8          2HD       PRO   8   1.882  18.928   2.357
   63   2HD   PRO   8          1HD       PRO   8   2.366  19.028   0.648
   64    H    ASP   9           HN       ASP   9   3.433  17.121   3.971
   65    HA   ASP   9           HA       ASP   9   5.271  17.059   6.243
   66   1HB   ASP   9          2HB       ASP   9   3.310  16.006   7.334
   67   2HB   ASP   9          1HB       ASP   9   2.837  17.444   6.428
   68    H    GLY  10           HN       GLY  10   5.123  15.181   3.524
   69   1HA   GLY  10          1HA       GLY  10   6.609  13.007   4.799
   70   2HA   GLY  10          2HA       GLY  10   6.273  13.159   3.074
   71    H    ARG  11           HN       ARG  11   3.330  13.620   3.918
   72    HA   ARG  11           HA       ARG  11   2.675  10.734   4.425
   73   1HB   ARG  11          2HB       ARG  11   2.127  12.342   6.251
   74   2HB   ARG  11          1HB       ARG  11   1.123  13.249   5.119
   75   1HG   ARG  11          2HG       ARG  11  -0.274  11.233   4.761
   76   2HG   ARG  11          1HG       ARG  11   0.717  10.353   5.924
   77   1HD   ARG  11          2HD       ARG  11   0.099  12.050   7.667
   78   2HD   ARG  11          1HD       ARG  11  -0.995  12.800   6.490
   79    HE   ARG  11           HE       ARG  11  -2.101  10.500   6.340
   80   1HH1  ARG  11          1HH1      ARG  11   0.112   9.403   8.243
   81   2HH1  ARG  11          2HH1      ARG  11  -0.809   9.225   9.699
   82   1HH2  ARG  11          1HH2      ARG  11  -3.456  11.162   8.575
   83   2HH2  ARG  11          2HH2      ARG  11  -2.830  10.220   9.888
   84    H    CYS  12           HN       CYS  12   1.184   9.783   3.016
   85    HA   CYS  12           HA       CYS  12   0.094  11.532   0.832
   86   1HB   CYS  12          2HB       CYS  12   1.203   8.707   0.766
   87   2HB   CYS  12          1HB       CYS  12   0.450   9.509  -0.611
   88    H    THR  13           HN       THR  13  -1.991  10.850  -0.009
   89    HA   THR  13           HA       THR  13  -3.660   9.471   2.015
   90    HB   THR  13           HB       THR  13  -5.486  10.434   0.700
   91    HG1  THR  13          1HG       THR  13  -5.192  10.782  -1.332
   92   1HG2  THR  13          1HG2      THR  13  -3.103  12.180   1.270
   93   2HG2  THR  13          3HG2      THR  13  -4.577  12.874   0.595
   94   3HG2  THR  13          2HG2      THR  13  -4.622  12.057   2.158
   95    H    LYS  14           HN       LYS  14  -5.391   7.944   1.052
   96    HA   LYS  14           HA       LYS  14  -4.014   5.902  -0.580
   97   1HB   LYS  14          2HB       LYS  14  -6.717   6.028   0.801
   98   2HB   LYS  14          1HB       LYS  14  -6.032   4.581   0.060
   99   1HG   LYS  14          2HG       LYS  14  -4.067   4.777   1.587
  100   2HG   LYS  14          1HG       LYS  14  -4.848   6.150   2.371
  101   1HD   LYS  14          2HD       LYS  14  -6.800   4.676   2.900
  102   2HD   LYS  14          1HD       LYS  14  -5.910   3.312   2.223
  103   1HE   LYS  14          2HE       LYS  14  -4.965   3.024   4.266
  104   2HE   LYS  14          1HE       LYS  14  -4.135   4.575   4.037
  105   1HZ   LYS  14          2HZ       LYS  14  -6.209   5.678   4.776
  106   2HZ   LYS  14          1HZ       LYS  14  -6.866   4.155   5.143
  107   3HZ   LYS  14          3HZ       LYS  14  -5.509   4.718   5.991

  No H/Q in entry =         107
  Start of MODEL   14
    1    H1   SER   1          3H        SER   1 -10.345   6.192 -10.465
    2    H2   SER   1          2H        SER   1 -11.591   5.745  -9.401
    3    H3   SER   1          1H        SER   1 -11.870   6.921 -10.594
    4    HA   SER   1           HA       SER   1 -11.525   8.325  -8.848
    5   1HB   SER   1          2HB       SER   1  -9.815   6.032  -7.843
    6   2HB   SER   1          1HB       SER   1 -10.005   7.550  -6.965
    7    HG   SER   1           HG       SER   1 -11.744   6.684  -6.206
    8    H    ILE   2           HN       ILE   2  -9.265   9.328  -7.815
    9    HA   ILE   2           HA       ILE   2  -7.498   9.722 -10.198
   10    HB   ILE   2           HB       ILE   2  -6.933  11.846  -8.912
   11   1HG1  ILE   2          2HG1      ILE   2  -9.401  11.443  -7.299
   12   2HG1  ILE   2          1HG1      ILE   2  -7.965  10.567  -6.771
   13   1HG2  ILE   2          2HG2      ILE   2  -9.063  11.242 -10.560
   14   2HG2  ILE   2          1HG2      ILE   2  -9.858  11.981  -9.171
   15   3HG2  ILE   2          3HG2      ILE   2  -8.611  12.868 -10.048
   16   1HD1  ILE   2          3HD1      ILE   2  -7.479  13.385  -7.506
   17   2HD1  ILE   2          2HD1      ILE   2  -8.519  13.165  -6.100
   18   3HD1  ILE   2          1HD1      ILE   2  -6.900  12.470  -6.115
   19    HA   PRO   3           HA       PRO   3  -3.988   7.964  -8.230
   20   1HB   PRO   3          2HB       PRO   3  -2.256  10.217  -8.681
   21   2HB   PRO   3          1HB       PRO   3  -2.361   8.721  -9.613
   22   1HG   PRO   3          2HG       PRO   3  -3.244  11.344 -10.382
   23   2HG   PRO   3          1HG       PRO   3  -3.351   9.848 -11.312
   24   1HD   PRO   3          2HD       PRO   3  -5.498  11.303 -10.040
   25   2HD   PRO   3          1HD       PRO   3  -5.606   9.797 -10.982
   26    HA   PRO   4           HA       PRO   4  -3.919   9.534  -4.100
   27   1HB   PRO   4          2HB       PRO   4  -1.248   8.577  -3.632
   28   2HB   PRO   4          1HB       PRO   4  -2.771   7.834  -3.138
   29   1HG   PRO   4          2HG       PRO   4  -0.961   6.948  -5.183
   30   2HG   PRO   4          1HG       PRO   4  -2.488   6.211  -4.694
   31   1HD   PRO   4          2HD       PRO   4  -1.913   7.661  -7.127
   32   2HD   PRO   4          1HD       PRO   4  -3.448   6.905  -6.641
   33    H    ILE   5           HN       ILE   5  -2.964  11.291  -2.907
   34    HA   ILE   5           HA       ILE   5  -0.834  12.814  -4.375
   35    HB   ILE   5           HB       ILE   5  -3.271  13.822  -2.869
   36   1HG1  ILE   5          2HG1      ILE   5  -2.618  13.767  -5.831
   37   2HG1  ILE   5          1HG1      ILE   5  -3.834  12.775  -5.026
   38   1HG2  ILE   5          2HG2      ILE   5  -0.799  15.093  -3.728
   39   2HG2  ILE   5          1HG2      ILE   5  -2.202  15.838  -4.493
   40   3HG2  ILE   5          3HG2      ILE   5  -2.100  15.747  -2.735
   41   1HD1  ILE   5          2HD1      ILE   5  -3.937  15.762  -4.729
   42   2HD1  ILE   5          1HD1      ILE   5  -4.552  15.019  -6.205
   43   3HD1  ILE   5          3HD1      ILE   5  -5.252  14.589  -4.644
   44    H    CYS   6           HN       CYS   6   0.920  13.311  -3.105
   45    HA   CYS   6           HA       CYS   6   0.732  12.763  -0.177
   46   1HB   CYS   6          2HB       CYS   6   3.012  13.036  -2.158
   47   2HB   CYS   6          1HB       CYS   6   3.253  12.778  -0.430
   48    H    PHE   7           HN       PHE   7   1.754  14.321   1.302
   49    HA   PHE   7           HA       PHE   7   1.687  17.125   0.237
   50   1HB   PHE   7          2HB       PHE   7   1.170  16.060   3.032
   51   2HB   PHE   7          1HB       PHE   7   0.930  17.721   2.490
   52    HD1  PHE   7           HD1      PHE   7  -0.245  17.268  -0.204
   53    HD2  PHE   7           HD2      PHE   7  -1.019  15.316   3.543
   54    HE1  PHE   7           HE1      PHE   7  -2.528  16.686  -0.979
   55    HE2  PHE   7           HE2      PHE   7  -3.302  14.734   2.768
   56    HZ   PHE   7           HZ       PHE   7  -4.056  15.419   0.507
   57    HA   PRO   8           HA       PRO   8   5.869  17.788   1.408
   58   1HB   PRO   8          2HB       PRO   8   5.357  20.187   2.913
   59   2HB   PRO   8          1HB       PRO   8   5.949  20.047   1.256
   60   1HG   PRO   8          2HG       PRO   8   3.354  20.910   2.138
   61   2HG   PRO   8          1HG       PRO   8   3.947  20.772   0.481
   62   1HD   PRO   8          2HD       PRO   8   2.017  19.092   1.817
   63   2HD   PRO   8          1HD       PRO   8   2.616  18.952   0.147
   64    H    ASP   9           HN       ASP   9   3.386  17.456   3.756
   65    HA   ASP   9           HA       ASP   9   5.080  17.622   6.133
   66   1HB   ASP   9          2HB       ASP   9   3.006  16.782   7.215
   67   2HB   ASP   9          1HB       ASP   9   2.667  18.126   6.124
   68    H    GLY  10           HN       GLY  10   4.960  15.398   3.671
   69   1HA   GLY  10          1HA       GLY  10   6.268  13.353   5.314
   70   2HA   GLY  10          2HA       GLY  10   6.066  13.301   3.563
   71    H    ARG  11           HN       ARG  11   3.134  13.890   3.857
   72    HA   ARG  11           HA       ARG  11   2.265  11.205   4.879
   73   1HB   ARG  11          2HB       ARG  11   0.865  13.897   4.813
   74   2HB   ARG  11          1HB       ARG  11   0.108  12.397   5.348
   75   1HG   ARG  11          2HG       ARG  11   1.915  12.160   7.067
   76   2HG   ARG  11          1HG       ARG  11   2.530  13.740   6.582
   77   1HD   ARG  11          2HD       ARG  11   0.249  14.702   7.108
   78   2HD   ARG  11          1HD       ARG  11  -0.188  13.124   7.791
   79    HE   ARG  11           HE       ARG  11   2.339  14.328   8.763
   80   1HH1  ARG  11          1HH1      ARG  11   0.293  12.203   9.916
   81   2HH1  ARG  11          2HH1      ARG  11  -0.240  13.071  11.318
   82   1HH2  ARG  11          1HH2      ARG  11   1.096  16.098  10.277
   83   2HH2  ARG  11          2HH2      ARG  11   0.215  15.277  11.522
   84    H    CYS  12           HN       CYS  12   1.004   9.971   3.476
   85    HA   CYS  12           HA       CYS  12   0.316  11.209   0.829
   86   1HB   CYS  12          2HB       CYS  12   1.458   8.515   1.598
   87   2HB   CYS  12          1HB       CYS  12   0.748   8.811   0.011
   88    H    THR  13           HN       THR  13  -1.458   9.855  -0.295
   89    HA   THR  13           HA       THR  13  -3.479   8.991   1.749
   90    HB   THR  13           HB       THR  13  -5.131   9.918   0.230
   91    HG1  THR  13          1HG       THR  13  -4.502  10.720  -1.772
   92   1HG2  THR  13          3HG2      THR  13  -3.640  11.454   1.683
   93   2HG2  THR  13          2HG2      THR  13  -2.862  11.901   0.165
   94   3HG2  THR  13          1HG2      THR  13  -4.584  12.206   0.398
   95    H    LYS  14           HN       LYS  14  -4.958   7.262   1.003
   96    HA   LYS  14           HA       LYS  14  -3.889   5.606  -1.249
   97   1HB   LYS  14          2HB       LYS  14  -2.991   4.868   0.961
   98   2HB   LYS  14          1HB       LYS  14  -4.645   4.646   1.532
   99   1HG   LYS  14          2HG       LYS  14  -5.049   2.966  -0.200
  100   2HG   LYS  14          1HG       LYS  14  -3.439   3.232  -0.867
  101   1HD   LYS  14          2HD       LYS  14  -3.375   1.253   0.545
  102   2HD   LYS  14          1HD       LYS  14  -2.474   2.541   1.343
  103   1HE   LYS  14          2HE       LYS  14  -3.930   2.598   3.095
  104   2HE   LYS  14          1HE       LYS  14  -5.341   2.539   2.021
  105   1HZ   LYS  14          2HZ       LYS  14  -3.558   0.230   2.614
  106   2HZ   LYS  14          1HZ       LYS  14  -5.065   0.489   3.354
  107   3HZ   LYS  14          3HZ       LYS  14  -4.980   0.195   1.685

  No H/Q in entry =         107
  Start of MODEL   15
    1    H1   SER   1          3H        SER   1  -9.315   5.256  -9.032
    2    H2   SER   1          2H        SER   1 -11.002   5.096  -8.916
    3    H3   SER   1          1H        SER   1 -10.297   5.647 -10.360
    4    HA   SER   1           HA       SER   1 -11.202   7.546  -9.248
    5   1HB   SER   1          2HB       SER   1 -10.001   7.802  -6.847
    6   2HB   SER   1          1HB       SER   1 -11.514   6.919  -7.051
    7    HG   SER   1           HG       SER   1  -8.910   5.962  -6.699
    8    H    ILE   2           HN       ILE   2  -9.727   9.491  -8.311
    9    HA   ILE   2           HA       ILE   2  -7.613   9.916 -10.207
   10    HB   ILE   2           HB       ILE   2  -7.208  11.915  -8.673
   11   1HG1  ILE   2          2HG1      ILE   2  -9.669  11.485  -7.185
   12   2HG1  ILE   2          1HG1      ILE   2  -8.482  10.233  -6.824
   13   1HG2  ILE   2          3HG2      ILE   2  -9.101  11.518 -10.531
   14   2HG2  ILE   2          2HG2      ILE   2 -10.151  11.726  -9.129
   15   3HG2  ILE   2          1HG2      ILE   2  -9.023  13.004  -9.584
   16   1HD1  ILE   2          2HD1      ILE   2  -6.782  12.057  -6.456
   17   2HD1  ILE   2          1HD1      ILE   2  -8.087  13.232  -6.625
   18   3HD1  ILE   2          3HD1      ILE   2  -8.110  12.074  -5.295
   19    HA   PRO   3           HA       PRO   3  -4.091   8.068  -8.338
   20   1HB   PRO   3          2HB       PRO   3  -2.403  10.366  -8.724
   21   2HB   PRO   3          1HB       PRO   3  -2.491   8.903  -9.708
   22   1HG   PRO   3          2HG       PRO   3  -3.427  11.535 -10.374
   23   2HG   PRO   3          1HG       PRO   3  -3.518  10.072 -11.356
   24   1HD   PRO   3          2HD       PRO   3  -5.675  11.444 -10.010
   25   2HD   PRO   3          1HD       PRO   3  -5.769   9.973 -11.006
   26    HA   PRO   4           HA       PRO   4  -4.019   9.496  -4.155
   27   1HB   PRO   4          2HB       PRO   4  -1.335   8.550  -3.736
   28   2HB   PRO   4          1HB       PRO   4  -2.848   7.776  -3.259
   29   1HG   PRO   4          2HG       PRO   4  -1.041   6.980  -5.343
   30   2HG   PRO   4          1HG       PRO   4  -2.558   6.210  -4.872
   31   1HD   PRO   4          2HD       PRO   4  -2.011   7.750  -7.256
   32   2HD   PRO   4          1HD       PRO   4  -3.536   6.961  -6.789
   33    H    ILE   5           HN       ILE   5  -3.120  11.249  -2.939
   34    HA   ILE   5           HA       ILE   5  -1.035  12.859  -4.381
   35    HB   ILE   5           HB       ILE   5  -3.409  13.731  -2.701
   36   1HG1  ILE   5          2HG1      ILE   5  -2.908  13.965  -5.684
   37   2HG1  ILE   5          1HG1      ILE   5  -3.986  12.786  -4.937
   38   1HG2  ILE   5          2HG2      ILE   5  -1.396  15.234  -2.610
   39   2HG2  ILE   5          1HG2      ILE   5  -1.494  15.395  -4.363
   40   3HG2  ILE   5          3HG2      ILE   5  -2.807  15.992  -3.348
   41   1HD1  ILE   5          3HD1      ILE   5  -4.405  15.615  -4.139
   42   2HD1  ILE   5          2HD1      ILE   5  -4.821  15.215  -5.806
   43   3HD1  ILE   5          1HD1      ILE   5  -5.591  14.352  -4.473
   44    H    CYS   6           HN       CYS   6   0.678  13.609  -3.123
   45    HA   CYS   6           HA       CYS   6   0.685  12.767  -0.246
   46   1HB   CYS   6          2HB       CYS   6   2.854  13.191  -2.322
   47   2HB   CYS   6          1HB       CYS   6   3.194  12.864  -0.622
   48    H    PHE   7           HN       PHE   7   1.639  14.268   1.291
   49    HA   PHE   7           HA       PHE   7   1.536  17.122   0.373
   50   1HB   PHE   7          2HB       PHE   7   1.033  15.843   3.082
   51   2HB   PHE   7          1HB       PHE   7   0.876  17.563   2.725
   52    HD1  PHE   7           HD1      PHE   7  -0.386  17.603   0.095
   53    HD2  PHE   7           HD2      PHE   7  -1.137  15.023   3.446
   54    HE1  PHE   7           HE1      PHE   7  -2.700  17.225  -0.714
   55    HE2  PHE   7           HE2      PHE   7  -3.451  14.644   2.637
   56    HZ   PHE   7           HZ       PHE   7  -4.232  15.746   0.557
   57    HA   PRO   8           HA       PRO   8   5.729  17.784   1.508
   58   1HB   PRO   8          2HB       PRO   8   5.210  20.091   3.146
   59   2HB   PRO   8          1HB       PRO   8   5.773  20.049   1.474
   60   1HG   PRO   8          2HG       PRO   8   3.185  20.827   2.444
   61   2HG   PRO   8          1HG       PRO   8   3.748  20.783   0.772
   62   1HD   PRO   8          2HD       PRO   8   1.867  19.007   2.057
   63   2HD   PRO   8          1HD       PRO   8   2.433  18.964   0.371
   64    H    ASP   9           HN       ASP   9   3.293  17.289   3.876
   65    HA   ASP   9           HA       ASP   9   4.959  17.402   6.255
   66   1HB   ASP   9          2HB       ASP   9   2.966  16.332   7.265
   67   2HB   ASP   9          1HB       ASP   9   2.503  17.680   6.228
   68    H    GLY  10           HN       GLY  10   5.000  15.304   3.660
   69   1HA   GLY  10          1HA       GLY  10   6.519  13.308   5.185
   70   2HA   GLY  10          2HA       GLY  10   6.300  13.330   3.434
   71    H    ARG  11           HN       ARG  11   3.292  13.701   4.010
   72    HA   ARG  11           HA       ARG  11   2.723  10.828   4.677
   73   1HB   ARG  11          2HB       ARG  11   1.155  13.378   5.183
   74   2HB   ARG  11          1HB       ARG  11   0.538  11.758   5.513
   75   1HG   ARG  11          2HG       ARG  11   2.489  11.364   7.019
   76   2HG   ARG  11          1HG       ARG  11   3.002  13.028   6.746
   77   1HD   ARG  11          2HD       ARG  11   0.785  13.807   7.635
   78   2HD   ARG  11          1HD       ARG  11   0.399  12.120   8.028
   79    HE   ARG  11           HE       ARG  11   2.987  12.721   9.072
   80   1HH1  ARG  11          1HH1      ARG  11   0.796  11.475  10.681
   81   2HH1  ARG  11          2HH1      ARG  11   0.453  12.707  11.849
   82   1HH2  ARG  11          1HH2      ARG  11   2.065  15.211  10.074
   83   2HH2  ARG  11          2HH2      ARG  11   1.172  14.823  11.505
   84    H    CYS  12           HN       CYS  12   1.283   9.746   3.283
   85    HA   CYS  12           HA       CYS  12   0.402  11.280   0.858
   86   1HB   CYS  12          2HB       CYS  12   1.486   8.484   1.260
   87   2HB   CYS  12          1HB       CYS  12   0.674   8.968  -0.229
   88    H    THR  13           HN       THR  13  -1.591  10.379  -0.161
   89    HA   THR  13           HA       THR  13  -3.458   9.298   1.912
   90    HB   THR  13           HB       THR  13  -5.167  10.414   0.612
   91    HG1  THR  13          1HG       THR  13  -3.171  10.315  -1.316
   92   1HG2  THR  13          3HG2      THR  13  -2.664  12.121   0.717
   93   2HG2  THR  13          2HG2      THR  13  -4.314  12.732   0.587
   94   3HG2  THR  13          1HG2      THR  13  -3.801  11.877   2.042
   95    H    LYS  14           HN       LYS  14  -5.274   7.912   0.860
   96    HA   LYS  14           HA       LYS  14  -4.008   5.991  -1.065
   97   1HB   LYS  14          2HB       LYS  14  -4.446   5.147   1.209
   98   2HB   LYS  14          1HB       LYS  14  -6.138   5.624   1.067
   99   1HG   LYS  14          2HG       LYS  14  -6.378   4.092  -0.879
  100   2HG   LYS  14          1HG       LYS  14  -4.705   3.578  -0.655
  101   1HD   LYS  14          2HD       LYS  14  -5.269   2.821   1.644
  102   2HD   LYS  14          1HD       LYS  14  -6.949   3.282   1.365
  103   1HE   LYS  14          2HE       LYS  14  -7.163   1.105   0.663
  104   2HE   LYS  14          1HE       LYS  14  -6.441   1.712  -0.838
  105   1HZ   LYS  14          3HZ       LYS  14  -4.232   1.343   0.247
  106   2HZ   LYS  14          2HZ       LYS  14  -5.038   0.527   1.500
  107   3HZ   LYS  14          1HZ       LYS  14  -5.089  -0.082  -0.087

  No H/Q in entry =         107
  Start of MODEL   16
    1    H1   SER   1          2H        SER   1  -9.902   6.440 -11.144
    2    H2   SER   1          1H        SER   1  -9.807   5.333  -9.857
    3    H3   SER   1          3H        SER   1 -11.320   5.881 -10.394
    4    HA   SER   1           HA       SER   1 -11.098   7.946  -9.413
    5   1HB   SER   1          2HB       SER   1  -9.631   7.102  -7.229
    6   2HB   SER   1          1HB       SER   1 -11.337   6.745  -7.494
    7    HG   SER   1           HG       SER   1 -10.860   4.762  -8.047
    8    H    ILE   2           HN       ILE   2  -9.663   9.645  -8.519
    9    HA   ILE   2           HA       ILE   2  -7.343  10.142 -10.123
   10    HB   ILE   2           HB       ILE   2  -7.042  11.979  -8.369
   11   1HG1  ILE   2          2HG1      ILE   2  -9.688  11.488  -7.237
   12   2HG1  ILE   2          1HG1      ILE   2  -8.543  10.213  -6.821
   13   1HG2  ILE   2          3HG2      ILE   2  -8.542  12.032 -10.469
   14   2HG2  ILE   2          2HG2      ILE   2  -9.887  11.774  -9.357
   15   3HG2  ILE   2          1HG2      ILE   2  -8.883  13.215  -9.206
   16   1HD1  ILE   2          3HD1      ILE   2  -6.962  12.348  -6.399
   17   2HD1  ILE   2          2HD1      ILE   2  -8.525  13.099  -6.080
   18   3HD1  ILE   2          1HD1      ILE   2  -8.013  11.695  -5.143
   19    HA   PRO   3           HA       PRO   3  -4.150   7.917  -8.065
   20   1HB   PRO   3          2HB       PRO   3  -2.263  10.075  -8.308
   21   2HB   PRO   3          1HB       PRO   3  -2.403   8.634  -9.317
   22   1HG   PRO   3          2HG       PRO   3  -3.075  11.337 -10.006
   23   2HG   PRO   3          1HG       PRO   3  -3.229   9.894 -11.011
   24   1HD   PRO   3          2HD       PRO   3  -5.341  11.434  -9.771
   25   2HD   PRO   3          1HD       PRO   3  -5.498   9.994 -10.805
   26    HA   PRO   4           HA       PRO   4  -4.012   9.223  -3.860
   27   1HB   PRO   4          2HB       PRO   4  -1.242   8.543  -3.479
   28   2HB   PRO   4          1HB       PRO   4  -2.666   7.605  -3.020
   29   1HG   PRO   4          2HG       PRO   4  -0.801   7.064  -5.138
   30   2HG   PRO   4          1HG       PRO   4  -2.223   6.124  -4.678
   31   1HD   PRO   4          2HD       PRO   4  -1.871   7.770  -7.024
   32   2HD   PRO   4          1HD       PRO   4  -3.306   6.826  -6.558
   33    H    ILE   5           HN       ILE   5  -3.273  11.014  -2.585
   34    HA   ILE   5           HA       ILE   5  -1.510  12.942  -4.057
   35    HB   ILE   5           HB       ILE   5  -3.663  13.377  -1.960
   36   1HG1  ILE   5          2HG1      ILE   5  -3.709  13.868  -4.954
   37   2HG1  ILE   5          1HG1      ILE   5  -4.511  12.522  -4.144
   38   1HG2  ILE   5          1HG2      ILE   5  -1.559  15.052  -2.856
   39   2HG2  ILE   5          3HG2      ILE   5  -3.035  15.656  -3.609
   40   3HG2  ILE   5          2HG2      ILE   5  -2.938  15.506  -1.855
   41   1HD1  ILE   5          3HD1      ILE   5  -5.689  14.302  -2.713
   42   2HD1  ILE   5          2HD1      ILE   5  -5.109  15.475  -3.895
   43   3HD1  ILE   5          1HD1      ILE   5  -6.198  14.182  -4.397
   44    H    CYS   6           HN       CYS   6   0.235  13.859  -2.935
   45    HA   CYS   6           HA       CYS   6   0.720  12.820  -0.159
   46   1HB   CYS   6          2HB       CYS   6   2.535  13.298  -2.535
   47   2HB   CYS   6          1HB       CYS   6   3.162  13.036  -0.907
   48    H    PHE   7           HN       PHE   7   1.683  14.318   1.319
   49    HA   PHE   7           HA       PHE   7   1.531  17.184   0.448
   50   1HB   PHE   7          2HB       PHE   7   1.289  15.954   3.212
   51   2HB   PHE   7          1HB       PHE   7   0.936  17.624   2.771
   52    HD1  PHE   7           HD1      PHE   7  -0.536  17.408   0.279
   53    HD2  PHE   7           HD2      PHE   7  -0.739  14.923   3.776
   54    HE1  PHE   7           HE1      PHE   7  -2.854  16.763  -0.315
   55    HE2  PHE   7           HE2      PHE   7  -3.058  14.277   3.182
   56    HZ   PHE   7           HZ       PHE   7  -4.117  15.197   1.136
   57    HA   PRO   8           HA       PRO   8   5.794  17.822   1.299
   58   1HB   PRO   8          2HB       PRO   8   5.392  20.123   2.978
   59   2HB   PRO   8          1HB       PRO   8   5.843  20.087   1.272
   60   1HG   PRO   8          2HG       PRO   8   3.327  20.869   2.415
   61   2HG   PRO   8          1HG       PRO   8   3.777  20.829   0.709
   62   1HD   PRO   8          2HD       PRO   8   1.982  19.053   2.112
   63   2HD   PRO   8          1HD       PRO   8   2.432  19.017   0.390
   64    H    ASP   9           HN       ASP   9   3.519  17.327   3.822
   65    HA   ASP   9           HA       ASP   9   5.399  17.382   6.059
   66   1HB   ASP   9          2HB       ASP   9   3.436  16.465   7.261
   67   2HB   ASP   9          1HB       ASP   9   2.975  17.838   6.253
   68    H    GLY  10           HN       GLY  10   4.945  15.244   3.502
   69   1HA   GLY  10          1HA       GLY  10   6.468  13.149   4.915
   70   2HA   GLY  10          2HA       GLY  10   6.142  13.201   3.181
   71    H    ARG  11           HN       ARG  11   3.237  13.715   3.682
   72    HA   ARG  11           HA       ARG  11   2.475  10.948   4.563
   73   1HB   ARG  11          2HB       ARG  11   1.037  13.602   4.883
   74   2HB   ARG  11          1HB       ARG  11   0.383  12.040   5.378
   75   1HG   ARG  11          2HG       ARG  11   3.001  13.191   6.391
   76   2HG   ARG  11          1HG       ARG  11   1.468  13.305   7.257
   77   1HD   ARG  11          2HD       ARG  11   1.320  10.803   7.246
   78   2HD   ARG  11          1HD       ARG  11   2.926  10.747   6.494
   79    HE   ARG  11           HE       ARG  11   2.346  11.828   9.223
   80   1HH1  ARG  11          1HH1      ARG  11   4.688  12.957   7.519
   81   2HH1  ARG  11          2HH1      ARG  11   6.007  12.048   8.179
   82   1HH2  ARG  11          1HH2      ARG  11   3.968   9.724   9.748
   83   2HH2  ARG  11          2HH2      ARG  11   5.600  10.219   9.441
   84    H    CYS  12           HN       CYS  12   0.942   9.886   3.250
   85    HA   CYS  12           HA       CYS  12   0.030  11.357   0.800
   86   1HB   CYS  12          2HB       CYS  12   1.233   8.590   1.111
   87   2HB   CYS  12          1HB       CYS  12   0.469   9.156  -0.375
   88    H    THR  13           HN       THR  13  -2.004  10.582  -0.061
   89    HA   THR  13           HA       THR  13  -3.683   9.181   1.972
   90    HB   THR  13           HB       THR  13  -5.515  10.311   0.863
   91    HG1  THR  13          1HG       THR  13  -5.362  10.668  -1.181
   92   1HG2  THR  13          3HG2      THR  13  -3.402  11.633   2.073
   93   2HG2  THR  13          2HG2      THR  13  -3.649  12.547   0.585
   94   3HG2  THR  13          1HG2      THR  13  -4.982  12.332   1.720
   95    H    LYS  14           HN       LYS  14  -5.512   7.831   0.855
   96    HA   LYS  14           HA       LYS  14  -5.989   5.838  -0.332
   97   1HB   LYS  14          2HB       LYS  14  -6.059   7.776  -2.004
   98   2HB   LYS  14          1HB       LYS  14  -4.449   7.268  -2.511
   99   1HG   LYS  14          2HG       LYS  14  -5.352   4.991  -2.978
  100   2HG   LYS  14          1HG       LYS  14  -6.963   5.573  -2.562
  101   1HD   LYS  14          2HD       LYS  14  -6.714   7.327  -4.349
  102   2HD   LYS  14          1HD       LYS  14  -5.203   6.552  -4.827
  103   1HE   LYS  14          2HE       LYS  14  -6.945   5.662  -6.261
  104   2HE   LYS  14          1HE       LYS  14  -6.548   4.389  -5.090
  105   1HZ   LYS  14          1HZ       LYS  14  -8.558   6.405  -4.368
  106   2HZ   LYS  14          3HZ       LYS  14  -9.019   5.164  -5.429
  107   3HZ   LYS  14          2HZ       LYS  14  -8.437   4.783  -3.879

  No H/Q in entry =         107
  Start of MODEL   17
    1    H1   SER   1          2H        SER   1  -9.003   5.226  -9.272
    2    H2   SER   1          1H        SER   1 -10.668   5.043  -9.558
    3    H3   SER   1          3H        SER   1  -9.652   5.598 -10.797
    4    HA   SER   1           HA       SER   1 -10.920   7.437  -9.830
    5   1HB   SER   1          2HB       SER   1  -9.559   6.308  -7.371
    6   2HB   SER   1          1HB       SER   1 -10.283   7.917  -7.395
    7    HG   SER   1           HG       SER   1 -11.859   6.564  -6.704
    8    H    ILE   2           HN       ILE   2  -9.555   9.418  -8.608
    9    HA   ILE   2           HA       ILE   2  -7.398  10.027 -10.421
   10    HB   ILE   2           HB       ILE   2  -7.165  11.990  -8.824
   11   1HG1  ILE   2          2HG1      ILE   2  -9.558  11.610  -7.356
   12   2HG1  ILE   2          1HG1      ILE   2  -8.609  10.139  -7.148
   13   1HG2  ILE   2          2HG2      ILE   2  -8.877  11.714 -10.765
   14   2HG2  ILE   2          1HG2      ILE   2 -10.065  11.492  -9.480
   15   3HG2  ILE   2          3HG2      ILE   2  -9.151  12.997  -9.589
   16   1HD1  ILE   2          3HD1      ILE   2  -7.021  12.611  -6.978
   17   2HD1  ILE   2          2HD1      ILE   2  -8.241  12.462  -5.714
   18   3HD1  ILE   2          1HD1      ILE   2  -7.024  11.203  -5.917
   19    HA   PRO   3           HA       PRO   3  -3.851   8.335  -8.454
   20   1HB   PRO   3          2HB       PRO   3  -2.325  10.772  -8.539
   21   2HB   PRO   3          1HB       PRO   3  -2.237   9.395  -9.639
   22   1HG   PRO   3          2HG       PRO   3  -3.330  12.000 -10.157
   23   2HG   PRO   3          1HG       PRO   3  -3.240  10.623 -11.258
   24   1HD   PRO   3          2HD       PRO   3  -5.584  11.712  -9.971
   25   2HD   PRO   3          1HD       PRO   3  -5.493  10.323 -11.079
   26    HA   PRO   4           HA       PRO   4  -4.081   9.383  -4.175
   27   1HB   PRO   4          2HB       PRO   4  -1.307   8.787  -3.702
   28   2HB   PRO   4          1HB       PRO   4  -2.710   7.770  -3.367
   29   1HG   PRO   4          2HG       PRO   4  -0.731   7.427  -5.422
   30   2HG   PRO   4          1HG       PRO   4  -2.133   6.410  -5.086
   31   1HD   PRO   4          2HD       PRO   4  -1.741   8.205  -7.312
   32   2HD   PRO   4          1HD       PRO   4  -3.156   7.182  -6.972
   33    H    ILE   5           HN       ILE   5  -3.372  11.068  -2.702
   34    HA   ILE   5           HA       ILE   5  -1.719  13.194  -4.021
   35    HB   ILE   5           HB       ILE   5  -3.837  13.367  -1.851
   36   1HG1  ILE   5          2HG1      ILE   5  -4.041  14.112  -4.783
   37   2HG1  ILE   5          1HG1      ILE   5  -4.654  12.600  -4.112
   38   1HG2  ILE   5          1HG2      ILE   5  -2.480  15.500  -3.532
   39   2HG2  ILE   5          3HG2      ILE   5  -3.772  15.784  -2.365
   40   3HG2  ILE   5          2HG2      ILE   5  -2.197  15.211  -1.816
   41   1HD1  ILE   5          2HD1      ILE   5  -5.455  15.209  -2.855
   42   2HD1  ILE   5          1HD1      ILE   5  -6.263  14.671  -4.327
   43   3HD1  ILE   5          3HD1      ILE   5  -6.321  13.673  -2.875
   44    H    CYS   6           HN       CYS   6   0.075  13.964  -2.913
   45    HA   CYS   6           HA       CYS   6   0.581  12.826  -0.180
   46   1HB   CYS   6          2HB       CYS   6   2.344  13.304  -2.590
   47   2HB   CYS   6          1HB       CYS   6   3.024  13.053  -0.981
   48    H    PHE   7           HN       PHE   7   1.592  14.257   1.329
   49    HA   PHE   7           HA       PHE   7   1.465  17.152   0.558
   50   1HB   PHE   7          2HB       PHE   7   1.007  15.582   3.094
   51   2HB   PHE   7          1HB       PHE   7   1.302  17.320   3.150
   52    HD1  PHE   7           HD1      PHE   7  -0.865  14.741   1.521
   53    HD2  PHE   7           HD2      PHE   7  -0.450  18.839   2.739
   54    HE1  PHE   7           HE1      PHE   7  -3.231  15.161   0.912
   55    HE2  PHE   7           HE2      PHE   7  -2.817  19.260   2.129
   56    HZ   PHE   7           HZ       PHE   7  -4.207  17.421   1.215
   57    HA   PRO   8           HA       PRO   8   5.753  17.759   1.285
   58   1HB   PRO   8          2HB       PRO   8   5.440  19.912   3.167
   59   2HB   PRO   8          1HB       PRO   8   5.805  20.018   1.444
   60   1HG   PRO   8          2HG       PRO   8   3.350  20.695   2.772
   61   2HG   PRO   8          1HG       PRO   8   3.714  20.799   1.048
   62   1HD   PRO   8          2HD       PRO   8   1.988  18.908   2.385
   63   2HD   PRO   8          1HD       PRO   8   2.352  19.015   0.647
   64    H    ASP   9           HN       ASP   9   3.607  17.056   3.873
   65    HA   ASP   9           HA       ASP   9   5.652  16.886   5.973
   66   1HB   ASP   9          2HB       ASP   9   3.716  15.970   7.252
   67   2HB   ASP   9          1HB       ASP   9   3.314  17.481   6.437
   68    H    GLY  10           HN       GLY  10   5.041  15.023   3.301
   69   1HA   GLY  10          1HA       GLY  10   6.450  12.723   4.449
   70   2HA   GLY  10          2HA       GLY  10   5.989  12.916   2.758
   71    H    ARG  11           HN       ARG  11   3.172  13.601   3.677
   72    HA   ARG  11           HA       ARG  11   2.309  10.811   4.376
   73   1HB   ARG  11          2HB       ARG  11   1.022  13.492   4.992
   74   2HB   ARG  11          1HB       ARG  11   0.414  11.920   5.510
   75   1HG   ARG  11          2HG       ARG  11   3.175  12.949   6.212
   76   2HG   ARG  11          1HG       ARG  11   1.770  13.155   7.257
   77   1HD   ARG  11          2HD       ARG  11   1.461  10.659   7.247
   78   2HD   ARG  11          1HD       ARG  11   2.979  10.522   6.339
   79    HE   ARG  11           HE       ARG  11   3.787  12.069   8.404
   80   1HH1  ARG  11          1HH1      ARG  11   4.269   9.082   8.425
   81   2HH1  ARG  11          2HH1      ARG  11   3.597   8.633   9.957
   82   1HH2  ARG  11          1HH2      ARG  11   1.828  11.590  10.347
   83   2HH2  ARG  11          2HH2      ARG  11   2.215  10.052  11.045
   84    H    CYS  12           HN       CYS  12   0.601   9.947   3.139
   85    HA   CYS  12           HA       CYS  12  -0.432  11.654   0.900
   86   1HB   CYS  12          2HB       CYS  12   0.441   8.747   0.826
   87   2HB   CYS  12          1HB       CYS  12  -0.161   9.675  -0.546
   88    H    THR  13           HN       THR  13  -2.542  10.885   0.061
   89    HA   THR  13           HA       THR  13  -4.405  10.199   2.138
   90    HB   THR  13           HB       THR  13  -5.797   9.777  -0.105
   91    HG1  THR  13          1HG       THR  13  -4.284   9.761  -1.619
   92   1HG2  THR  13          2HG2      THR  13  -4.682  12.376   0.950
   93   2HG2  THR  13          1HG2      THR  13  -5.877  12.332  -0.347
   94   3HG2  THR  13          3HG2      THR  13  -6.273  11.673   1.241
   95    H    LYS  14           HN       LYS  14  -2.630   8.285  -0.223
   96    HA   LYS  14           HA       LYS  14  -2.654   5.949  -0.657
   97   1HB   LYS  14          2HB       LYS  14  -3.038   6.107   2.351
   98   2HB   LYS  14          1HB       LYS  14  -2.399   4.716   1.476
   99   1HG   LYS  14          2HG       LYS  14  -0.546   6.147   0.620
  100   2HG   LYS  14          1HG       LYS  14  -1.163   7.485   1.589
  101   1HD   LYS  14          2HD       LYS  14  -0.854   6.147   3.639
  102   2HD   LYS  14          1HD       LYS  14  -0.247   4.802   2.673
  103   1HE   LYS  14          2HE       LYS  14   1.037   7.543   2.551
  104   2HE   LYS  14          1HE       LYS  14   1.539   6.321   3.734
  105   1HZ   LYS  14          2HZ       LYS  14   1.173   5.443   0.972
  106   2HZ   LYS  14          1HZ       LYS  14   2.536   6.407   1.285
  107   3HZ   LYS  14          3HZ       LYS  14   2.322   4.947   2.120

  No H/Q in entry =         107
  Start of MODEL   18
    1    H1   SER   1          3H        SER   1  -7.932   4.749 -10.155
    2    H2   SER   1          2H        SER   1  -9.530   4.178 -10.206
    3    H3   SER   1          1H        SER   1  -9.053   5.465 -11.207
    4    HA   SER   1           HA       SER   1 -10.338   6.294  -9.323
    5   1HB   SER   1          2HB       SER   1  -8.214   5.538  -7.418
    6   2HB   SER   1          1HB       SER   1  -9.965   5.440  -7.240
    7    HG   SER   1           HG       SER   1  -9.763   3.407  -7.636
    8    H    ILE   2           HN       ILE   2  -9.730   8.356  -8.337
    9    HA   ILE   2           HA       ILE   2  -7.876   9.927  -9.744
   10    HB   ILE   2           HB       ILE   2  -8.068  11.378  -7.622
   11   1HG1  ILE   2          2HG1      ILE   2 -10.282   9.784  -6.612
   12   2HG1  ILE   2          1HG1      ILE   2  -8.760   8.898  -6.516
   13   1HG2  ILE   2          1HG2      ILE   2  -9.647  11.302  -9.666
   14   2HG2  ILE   2          3HG2      ILE   2 -10.726  10.364  -8.635
   15   3HG2  ILE   2          2HG2      ILE   2 -10.283  12.009  -8.180
   16   1HD1  ILE   2          1HD1      ILE   2  -8.192  11.554  -5.711
   17   2HD1  ILE   2          3HD1      ILE   2  -9.676  11.088  -4.880
   18   3HD1  ILE   2          2HD1      ILE   2  -8.220  10.111  -4.698
   19    HA   PRO   3           HA       PRO   3  -3.886   8.736  -8.301
   20   1HB   PRO   3          2HB       PRO   3  -2.928  11.449  -8.262
   21   2HB   PRO   3          1HB       PRO   3  -2.663  10.220  -9.501
   22   1HG   PRO   3          2HG       PRO   3  -4.324  12.554  -9.664
   23   2HG   PRO   3          1HG       PRO   3  -4.072  11.317 -10.897
   24   1HD   PRO   3          2HD       PRO   3  -6.434  11.772  -9.294
   25   2HD   PRO   3          1HD       PRO   3  -6.187  10.541 -10.554
   26    HA   PRO   4           HA       PRO   4  -3.993   9.376  -3.925
   27   1HB   PRO   4          2HB       PRO   4  -1.137   9.117  -3.690
   28   2HB   PRO   4          1HB       PRO   4  -2.371   7.899  -3.358
   29   1HG   PRO   4          2HG       PRO   4  -0.523   7.980  -5.551
   30   2HG   PRO   4          1HG       PRO   4  -1.771   6.773  -5.231
   31   1HD   PRO   4          2HD       PRO   4  -1.747   8.805  -7.290
   32   2HD   PRO   4          1HD       PRO   4  -2.987   7.567  -6.987
   33    H    ILE   5           HN       ILE   5  -3.271  10.967  -2.310
   34    HA   ILE   5           HA       ILE   5  -2.084  13.425  -3.556
   35    HB   ILE   5           HB       ILE   5  -3.930  13.118  -1.166
   36   1HG1  ILE   5          2HG1      ILE   5  -5.139  12.409  -3.120
   37   2HG1  ILE   5          1HG1      ILE   5  -5.635  14.069  -2.790
   38   1HG2  ILE   5          3HG2      ILE   5  -2.935  15.498  -2.754
   39   2HG2  ILE   5          2HG2      ILE   5  -4.301  15.583  -1.642
   40   3HG2  ILE   5          1HG2      ILE   5  -2.695  15.180  -1.035
   41   1HD1  ILE   5          1HD1      ILE   5  -3.941  14.860  -4.448
   42   2HD1  ILE   5          3HD1      ILE   5  -3.573  13.177  -4.828
   43   3HD1  ILE   5          2HD1      ILE   5  -5.175  13.830  -5.175
   44    H    CYS   6           HN       CYS   6  -0.102  14.001  -2.758
   45    HA   CYS   6           HA       CYS   6   0.716  12.900  -0.089
   46   1HB   CYS   6          2HB       CYS   6   2.189  13.494  -2.662
   47   2HB   CYS   6          1HB       CYS   6   3.044  13.227  -1.143
   48    H    PHE   7           HN       PHE   7   1.860  14.341   1.319
   49    HA   PHE   7           HA       PHE   7   1.648  17.243   0.578
   50   1HB   PHE   7          2HB       PHE   7   1.051  15.646   3.048
   51   2HB   PHE   7          1HB       PHE   7   1.535  17.332   3.225
   52    HD1  PHE   7           HD1      PHE   7  -1.026  15.040   1.889
   53    HD2  PHE   7           HD2      PHE   7   0.130  19.145   2.400
   54    HE1  PHE   7           HE1      PHE   7  -3.319  15.762   1.278
   55    HE2  PHE   7           HE2      PHE   7  -2.162  19.867   1.790
   56    HZ   PHE   7           HZ       PHE   7  -3.887  18.176   1.229
   57    HA   PRO   8           HA       PRO   8   5.930  17.830   1.364
   58   1HB   PRO   8          2HB       PRO   8   5.607  19.955   3.276
   59   2HB   PRO   8          1HB       PRO   8   5.990  20.087   1.558
   60   1HG   PRO   8          2HG       PRO   8   3.523  20.750   2.874
   61   2HG   PRO   8          1HG       PRO   8   3.907  20.887   1.157
   62   1HD   PRO   8          2HD       PRO   8   2.155  18.981   2.432
   63   2HD   PRO   8          1HD       PRO   8   2.549  19.113   0.703
   64    H    ASP   9           HN       ASP   9   3.746  17.174   3.953
   65    HA   ASP   9           HA       ASP   9   5.733  16.956   6.081
   66   1HB   ASP   9          2HB       ASP   9   3.793  15.968   7.282
   67   2HB   ASP   9          1HB       ASP   9   3.353  17.467   6.464
   68    H    GLY  10           HN       GLY  10   5.168  15.106   3.357
   69   1HA   GLY  10          1HA       GLY  10   6.660  12.840   4.486
   70   2HA   GLY  10          2HA       GLY  10   6.222  13.051   2.791
   71    H    ARG  11           HN       ARG  11   3.371  13.657   3.807
   72    HA   ARG  11           HA       ARG  11   2.578  10.836   4.446
   73   1HB   ARG  11          2HB       ARG  11   1.192  13.497   4.921
   74   2HB   ARG  11          1HB       ARG  11   0.571  11.925   5.423
   75   1HG   ARG  11          2HG       ARG  11   2.533  11.581   6.854
   76   2HG   ARG  11          1HG       ARG  11   3.216  13.115   6.314
   77   1HD   ARG  11          2HD       ARG  11   2.141  13.541   8.440
   78   2HD   ARG  11          1HD       ARG  11   1.073  14.218   7.196
   79    HE   ARG  11           HE       ARG  11   0.103  11.697   7.355
   80   1HH1  ARG  11          1HH1      ARG  11   1.668  11.938  10.097
   81   2HH1  ARG  11          2HH1      ARG  11   0.322  12.195  11.157
   82   1HH2  ARG  11          1HH2      ARG  11  -1.907  12.880   8.592
   83   2HH2  ARG  11          2HH2      ARG  11  -1.701  12.728  10.305
   84    H    CYS  12           HN       CYS  12   0.934   9.880   3.176
   85    HA   CYS  12           HA       CYS  12  -0.060  11.475   0.841
   86   1HB   CYS  12          2HB       CYS  12   1.154   8.698   0.932
   87   2HB   CYS  12          1HB       CYS  12   0.322   9.348  -0.480
   88    H    THR  13           HN       THR  13  -2.099  10.637  -0.038
   89    HA   THR  13           HA       THR  13  -3.665   9.085   1.994
   90    HB   THR  13           HB       THR  13  -5.578  10.334   1.117
   91    HG1  THR  13          1HG       THR  13  -5.186  11.860  -0.554
   92   1HG2  THR  13          2HG2      THR  13  -3.895  11.391   2.753
   93   2HG2  THR  13          1HG2      THR  13  -3.320  12.320   1.368
   94   3HG2  THR  13          3HG2      THR  13  -4.989  12.487   1.909
   95    H    LYS  14           HN       LYS  14  -5.607   7.919   0.844
   96    HA   LYS  14           HA       LYS  14  -4.484   6.067  -1.119
   97   1HB   LYS  14          2HB       LYS  14  -7.191   6.450   0.191
   98   2HB   LYS  14          1HB       LYS  14  -6.830   5.111  -0.900
   99   1HG   LYS  14          2HG       LYS  14  -4.907   4.496   0.596
  100   2HG   LYS  14          1HG       LYS  14  -5.446   5.740   1.723
  101   1HD   LYS  14          2HD       LYS  14  -7.670   4.602   1.842
  102   2HD   LYS  14          1HD       LYS  14  -7.031   3.318   0.817
  103   1HE   LYS  14          2HE       LYS  14  -6.110   2.319   2.631
  104   2HE   LYS  14          1HE       LYS  14  -5.198   3.795   2.998
  105   1HZ   LYS  14          3HZ       LYS  14  -7.353   4.708   3.880
  106   2HZ   LYS  14          2HZ       LYS  14  -7.989   3.136   3.774
  107   3HZ   LYS  14          1HZ       LYS  14  -6.677   3.456   4.804

  No H/Q in entry =         107
  Start of MODEL   19
    1    H1   SER   1          3H        SER   1  -8.721   5.628 -10.789
    2    H2   SER   1          2H        SER   1 -10.079   4.805 -10.186
    3    H3   SER   1          1H        SER   1 -10.276   6.075 -11.299
    4    HA   SER   1           HA       SER   1 -10.747   7.223  -9.396
    5   1HB   SER   1          2HB       SER   1  -8.713   5.906  -7.700
    6   2HB   SER   1          1HB       SER   1 -10.417   6.218  -7.370
    7    HG   SER   1           HG       SER   1  -9.201   4.003  -8.429
    8    H    ILE   2           HN       ILE   2  -9.721   9.133  -8.595
    9    HA   ILE   2           HA       ILE   2  -7.493  10.146 -10.019
   10    HB   ILE   2           HB       ILE   2  -8.759  10.846  -7.355
   11   1HG1  ILE   2          2HG1      ILE   2  -9.244  12.821  -9.274
   12   2HG1  ILE   2          1HG1      ILE   2  -9.389  11.305 -10.164
   13   1HG2  ILE   2          2HG2      ILE   2  -6.330  11.657  -7.721
   14   2HG2  ILE   2          1HG2      ILE   2  -7.005  12.681  -8.989
   15   3HG2  ILE   2          3HG2      ILE   2  -7.541  12.875  -7.320
   16   1HD1  ILE   2          2HD1      ILE   2 -10.677  10.878  -7.686
   17   2HD1  ILE   2          1HD1      ILE   2 -11.215  12.462  -8.246
   18   3HD1  ILE   2          3HD1      ILE   2 -11.438  11.042  -9.269
   19    HA   PRO   3           HA       PRO   3  -4.008   8.233  -8.089
   20   1HB   PRO   3          2HB       PRO   3  -2.421  10.620  -8.322
   21   2HB   PRO   3          1HB       PRO   3  -2.392   9.189  -9.354
   22   1HG   PRO   3          2HG       PRO   3  -3.424  11.794  -9.980
   23   2HG   PRO   3          1HG       PRO   3  -3.398  10.362 -11.011
   24   1HD   PRO   3          2HD       PRO   3  -5.680  11.582  -9.729
   25   2HD   PRO   3          1HD       PRO   3  -5.654  10.142 -10.772
   26    HA   PRO   4           HA       PRO   4  -4.104   9.487  -3.861
   27   1HB   PRO   4          2HB       PRO   4  -1.329   8.867  -3.427
   28   2HB   PRO   4          1HB       PRO   4  -2.740   7.892  -3.011
   29   1HG   PRO   4          2HG       PRO   4  -0.817   7.418  -5.093
   30   2HG   PRO   4          1HG       PRO   4  -2.228   6.442  -4.677
   31   1HD   PRO   4          2HD       PRO   4  -1.858   8.127  -6.993
   32   2HD   PRO   4          1HD       PRO   4  -3.280   7.143  -6.575
   33    H    ILE   5           HN       ILE   5  -3.389  11.254  -2.518
   34    HA   ILE   5           HA       ILE   5  -1.731  13.288  -3.964
   35    HB   ILE   5           HB       ILE   5  -3.756  13.562  -1.717
   36   1HG1  ILE   5          2HG1      ILE   5  -4.064  14.236  -4.655
   37   2HG1  ILE   5          1HG1      ILE   5  -4.665  12.745  -3.929
   38   1HG2  ILE   5          3HG2      ILE   5  -1.841  15.322  -2.173
   39   2HG2  ILE   5          2HG2      ILE   5  -2.863  15.774  -3.536
   40   3HG2  ILE   5          1HG2      ILE   5  -3.494  15.869  -1.892
   41   1HD1  ILE   5          3HD1      ILE   5  -5.555  14.818  -2.241
   42   2HD1  ILE   5          2HD1      ILE   5  -5.837  15.394  -3.883
   43   3HD1  ILE   5          1HD1      ILE   5  -6.535  13.864  -3.354
   44    H    CYS   6           HN       CYS   6   0.156  13.996  -2.999
   45    HA   CYS   6           HA       CYS   6   0.796  12.899  -0.282
   46   1HB   CYS   6          2HB       CYS   6   2.401  13.526  -2.762
   47   2HB   CYS   6          1HB       CYS   6   3.187  13.318  -1.197
   48    H    PHE   7           HN       PHE   7   1.936  14.332   1.183
   49    HA   PHE   7           HA       PHE   7   1.660  17.242   0.498
   50   1HB   PHE   7          2HB       PHE   7   1.033  15.591   2.930
   51   2HB   PHE   7          1HB       PHE   7   1.432  17.297   3.128
   52    HD1  PHE   7           HD1      PHE   7  -0.903  14.919   1.487
   53    HD2  PHE   7           HD2      PHE   7  -0.095  19.022   2.468
   54    HE1  PHE   7           HE1      PHE   7  -3.203  15.537   0.797
   55    HE2  PHE   7           HE2      PHE   7  -2.395  19.640   1.776
   56    HZ   PHE   7           HZ       PHE   7  -3.949  17.897   0.941
   57    HA   PRO   8           HA       PRO   8   5.904  17.886   1.428
   58   1HB   PRO   8          2HB       PRO   8   5.476  20.015   3.316
   59   2HB   PRO   8          1HB       PRO   8   5.921  20.144   1.613
   60   1HG   PRO   8          2HG       PRO   8   3.397  20.777   2.830
   61   2HG   PRO   8          1HG       PRO   8   3.843  20.906   1.127
   62   1HD   PRO   8          2HD       PRO   8   2.077  18.980   2.354
   63   2HD   PRO   8          1HD       PRO   8   2.525  19.111   0.638
   64    H    ASP   9           HN       ASP   9   3.641  17.167   3.921
   65    HA   ASP   9           HA       ASP   9   5.594  16.974   6.102
   66   1HB   ASP   9          2HB       ASP   9   3.614  16.087   7.305
   67   2HB   ASP   9          1HB       ASP   9   3.222  17.571   6.437
   68    H    GLY  10           HN       GLY  10   5.126  15.139   3.392
   69   1HA   GLY  10          1HA       GLY  10   6.482  12.831   4.570
   70   2HA   GLY  10          2HA       GLY  10   6.059  13.027   2.868
   71    H    ARG  11           HN       ARG  11   3.223  13.681   3.622
   72    HA   ARG  11           HA       ARG  11   2.345  10.908   4.368
   73   1HB   ARG  11          2HB       ARG  11   1.170  13.646   4.933
   74   2HB   ARG  11          1HB       ARG  11   0.316  12.139   5.264
   75   1HG   ARG  11          2HG       ARG  11   2.233  11.420   6.699
   76   2HG   ARG  11          1HG       ARG  11   2.981  12.995   6.434
   77   1HD   ARG  11          2HD       ARG  11   0.935  14.078   7.406
   78   2HD   ARG  11          1HD       ARG  11   0.309  12.462   7.783
   79    HE   ARG  11           HE       ARG  11   2.260  12.134   9.261
   80   1HH1  ARG  11          1HH1      ARG  11   0.831  14.920   9.757
   81   2HH1  ARG  11          2HH1      ARG  11   2.224  15.874  10.141
   82   1HH2  ARG  11          1HH2      ARG  11   4.487  13.516   8.981
   83   2HH2  ARG  11          2HH2      ARG  11   4.294  15.079   9.703
   84    H    CYS  12           HN       CYS  12   0.901   9.935   2.953
   85    HA   CYS  12           HA       CYS  12  -0.178  11.614   0.712
   86   1HB   CYS  12          2HB       CYS  12   0.952   8.797   0.670
   87   2HB   CYS  12          1HB       CYS  12   0.266   9.632  -0.724
   88    H    THR  13           HN       THR  13  -2.204  10.765  -0.206
   89    HA   THR  13           HA       THR  13  -3.987   9.670   1.840
   90    HB   THR  13           HB       THR  13  -5.680  10.192   0.216
   91    HG1  THR  13          1HG       THR  13  -5.217  10.399  -1.929
   92   1HG2  THR  13          1HG2      THR  13  -4.332  12.113   1.201
   93   2HG2  THR  13          3HG2      THR  13  -3.455  12.168  -0.328
   94   3HG2  THR  13          2HG2      THR  13  -5.192  12.478  -0.295
   95    H    LYS  14           HN       LYS  14  -5.362   7.734   1.372
   96    HA   LYS  14           HA       LYS  14  -3.806   5.425   0.673
   97   1HB   LYS  14          2HB       LYS  14  -6.789   5.914   0.953
   98   2HB   LYS  14          1HB       LYS  14  -6.050   4.314   0.870
   99   1HG   LYS  14          2HG       LYS  14  -4.670   4.894   2.870
  100   2HG   LYS  14          1HG       LYS  14  -5.526   6.432   2.978
  101   1HD   LYS  14          2HD       LYS  14  -7.674   5.184   3.182
  102   2HD   LYS  14          1HD       LYS  14  -6.767   3.671   3.175
  103   1HE   LYS  14          2HE       LYS  14  -5.769   4.124   5.274
  104   2HE   LYS  14          1HE       LYS  14  -6.137   5.857   5.171
  105   1HZ   LYS  14          2HZ       LYS  14  -8.566   4.942   4.931
  106   2HZ   LYS  14          1HZ       LYS  14  -7.929   3.599   5.753
  107   3HZ   LYS  14          3HZ       LYS  14  -7.871   5.135   6.470

  No H/Q in entry =         107
  Start of MODEL   20
    1    H1   SER   1          1H        SER   1  -9.624   6.187 -11.534
    2    H2   SER   1          3H        SER   1  -8.996   5.274 -10.250
    3    H3   SER   1          2H        SER   1 -10.645   5.163 -10.644
    4    HA   SER   1           HA       SER   1 -11.087   7.352  -9.873
    5   1HB   SER   1          2HB       SER   1  -9.758   6.962  -7.535
    6   2HB   SER   1          1HB       SER   1 -11.174   6.021  -8.005
    7    HG   SER   1           HG       SER   1  -9.843   4.419  -8.769
    8    H    ILE   2           HN       ILE   2  -9.759   8.954  -8.152
    9    HA   ILE   2           HA       ILE   2  -7.891  10.393  -9.849
   10    HB   ILE   2           HB       ILE   2  -8.840  10.653  -6.982
   11   1HG1  ILE   2          2HG1      ILE   2  -9.435  12.641  -9.116
   12   2HG1  ILE   2          1HG1      ILE   2 -10.233  11.074  -9.250
   13   1HG2  ILE   2          2HG2      ILE   2  -6.510  11.640  -7.516
   14   2HG2  ILE   2          1HG2      ILE   2  -7.378  12.787  -8.538
   15   3HG2  ILE   2          3HG2      ILE   2  -7.707  12.724  -6.806
   16   1HD1  ILE   2          2HD1      ILE   2 -10.268  12.149  -6.521
   17   2HD1  ILE   2          1HD1      ILE   2 -11.104  13.182  -7.681
   18   3HD1  ILE   2          3HD1      ILE   2 -11.591  11.498  -7.487
   19    HA   PRO   3           HA       PRO   3  -4.122   8.430  -8.636
   20   1HB   PRO   3          2HB       PRO   3  -2.669  10.912  -8.717
   21   2HB   PRO   3          1HB       PRO   3  -2.714   9.637  -9.936
   22   1HG   PRO   3          2HG       PRO   3  -3.916  12.242 -10.062
   23   2HG   PRO   3          1HG       PRO   3  -3.965  10.967 -11.280
   24   1HD   PRO   3          2HD       PRO   3  -6.112  11.874  -9.575
   25   2HD   PRO   3          1HD       PRO   3  -6.164  10.593 -10.808
   26    HA   PRO   4           HA       PRO   4  -3.567   9.092  -4.317
   27   1HB   PRO   4          2HB       PRO   4  -0.694   8.950  -4.395
   28   2HB   PRO   4          1HB       PRO   4  -1.834   7.679  -3.945
   29   1HG   PRO   4          2HG       PRO   4  -0.245   7.862  -6.332
   30   2HG   PRO   4          1HG       PRO   4  -1.385   6.591  -5.883
   31   1HD   PRO   4          2HD       PRO   4  -1.697   8.614  -7.920
   32   2HD   PRO   4          1HD       PRO   4  -2.846   7.333  -7.468
   33    H    ILE   5           HN       ILE   5  -2.745  10.700  -2.772
   34    HA   ILE   5           HA       ILE   5  -1.614  13.155  -4.078
   35    HB   ILE   5           HB       ILE   5  -3.678  12.894  -1.865
   36   1HG1  ILE   5          2HG1      ILE   5  -3.968  13.796  -4.748
   37   2HG1  ILE   5          1HG1      ILE   5  -4.507  12.241  -4.115
   38   1HG2  ILE   5          2HG2      ILE   5  -2.114  15.153  -2.982
   39   2HG2  ILE   5          1HG2      ILE   5  -3.839  15.451  -2.772
   40   3HG2  ILE   5          3HG2      ILE   5  -2.852  14.973  -1.391
   41   1HD1  ILE   5          2HD1      ILE   5  -5.803  13.700  -2.365
   42   2HD1  ILE   5          1HD1      ILE   5  -5.588  14.990  -3.549
   43   3HD1  ILE   5          3HD1      ILE   5  -6.463  13.525  -3.992
   44    H    CYS   6           HN       CYS   6   0.265  13.846  -3.127
   45    HA   CYS   6           HA       CYS   6   0.930  12.785  -0.400
   46   1HB   CYS   6          2HB       CYS   6   2.527  13.421  -2.882
   47   2HB   CYS   6          1HB       CYS   6   3.313  13.283  -1.309
   48    H    PHE   7           HN       PHE   7   1.872  14.272   1.099
   49    HA   PHE   7           HA       PHE   7   1.624  17.165   0.332
   50   1HB   PHE   7          2HB       PHE   7   1.115  15.755   2.974
   51   2HB   PHE   7          1HB       PHE   7   0.939  17.488   2.697
   52    HD1  PHE   7           HD1      PHE   7  -0.271  17.574   0.014
   53    HD2  PHE   7           HD2      PHE   7  -1.075  14.955   3.323
   54    HE1  PHE   7           HE1      PHE   7  -2.572  17.207  -0.835
   55    HE2  PHE   7           HE2      PHE   7  -3.376  14.588   2.473
   56    HZ   PHE   7           HZ       PHE   7  -4.124  15.714   0.394
   57    HA   PRO   8           HA       PRO   8   5.798  17.836   1.525
   58   1HB   PRO   8          2HB       PRO   8   5.232  20.072   3.245
   59   2HB   PRO   8          1HB       PRO   8   5.812  20.101   1.579
   60   1HG   PRO   8          2HG       PRO   8   3.202  20.804   2.554
   61   2HG   PRO   8          1HG       PRO   8   3.782  20.835   0.887
   62   1HD   PRO   8          2HD       PRO   8   1.914  18.984   2.077
   63   2HD   PRO   8          1HD       PRO   8   2.502  19.014   0.398
   64    H    ASP   9           HN       ASP   9   3.342  17.250   3.862
   65    HA   ASP   9           HA       ASP   9   4.973  17.288   6.259
   66   1HB   ASP   9          2HB       ASP   9   2.992  16.088   7.179
   67   2HB   ASP   9          1HB       ASP   9   2.525  17.508   6.242
   68    H    GLY  10           HN       GLY  10   4.881  15.190   3.589
   69   1HA   GLY  10          1HA       GLY  10   6.531  13.220   5.041
   70   2HA   GLY  10          2HA       GLY  10   6.306  13.291   3.293
   71    H    ARG  11           HN       ARG  11   3.295  13.572   3.866
   72    HA   ARG  11           HA       ARG  11   2.805  10.642   4.277
   73   1HB   ARG  11          2HB       ARG  11   1.293  13.037   5.370
   74   2HB   ARG  11          1HB       ARG  11   0.745  11.367   5.519
   75   1HG   ARG  11          2HG       ARG  11   2.879  10.813   6.691
   76   2HG   ARG  11          1HG       ARG  11   3.327  12.517   6.619
   77   1HD   ARG  11          2HD       ARG  11   1.198  13.057   7.868
   78   2HD   ARG  11          1HD       ARG  11   0.950  11.314   8.078
   79    HE   ARG  11           HE       ARG  11   3.367  11.388   9.074
   80   1HH1  ARG  11          1HH1      ARG  11   1.007  12.248  10.854
   81   2HH1  ARG  11          2HH1      ARG  11   1.659  13.681  11.578
   82   1HH2  ARG  11          1HH2      ARG  11   4.248  13.978   9.289
   83   2HH2  ARG  11          2HH2      ARG  11   3.493  14.660  10.691
   84    H    CYS  12           HN       CYS  12   1.303   9.758   2.840
   85    HA   CYS  12           HA       CYS  12   0.075  11.653   0.860
   86   1HB   CYS  12          2HB       CYS  12   1.046   8.792   0.552
   87   2HB   CYS  12          1HB       CYS  12   0.356   9.777  -0.737
   88    H    THR  13           HN       THR  13  -1.965  10.716  -0.149
   89    HA   THR  13           HA       THR  13  -3.767   9.772   1.959
   90    HB   THR  13           HB       THR  13  -5.453  10.193   0.275
   91    HG1  THR  13          1HG       THR  13  -4.969  10.296  -1.845
   92   1HG2  THR  13          1HG2      THR  13  -4.282  12.172   1.256
   93   2HG2  THR  13          3HG2      THR  13  -3.194  12.172  -0.132
   94   3HG2  THR  13          2HG2      THR  13  -4.916  12.478  -0.361
   95    H    LYS  14           HN       LYS  14  -5.167   7.834   1.607
   96    HA   LYS  14           HA       LYS  14  -3.818   5.706  -0.022
   97   1HB   LYS  14          2HB       LYS  14  -3.347   5.644   2.455
   98   2HB   LYS  14          1HB       LYS  14  -5.075   5.421   2.725
   99   1HG   LYS  14          2HG       LYS  14  -5.006   3.373   1.320
  100   2HG   LYS  14          1HG       LYS  14  -3.267   3.585   1.121
  101   1HD   LYS  14          2HD       LYS  14  -3.045   3.502   3.628
  102   2HD   LYS  14          1HD       LYS  14  -4.758   3.090   3.714
  103   1HE   LYS  14          2HE       LYS  14  -4.382   0.938   3.043
  104   2HE   LYS  14          1HE       LYS  14  -3.206   1.437   1.814
  105   1HZ   LYS  14          2HZ       LYS  14  -2.469   1.883   4.601
  106   2HZ   LYS  14          1HZ       LYS  14  -2.492   0.264   4.088
  107   3HZ   LYS  14          3HZ       LYS  14  -1.504   1.389   3.292

  No H/Q in entry =         107