*HEADER    PLANT PROTEIN                           06-AUG-12   2LWU              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 7 (PDP-7)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 7 (PDP-7);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PLANT PEPTIDE, PAWS DERIVED, CYCLIC PEPTIDE, PLANT PROTEIN            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN                                   
*REVDAT   1   21-AUG-13 2LWU    0                                                


 H proton - H proton
  3 CYSS HA      4 ILE  H       2.74            #peak 2
  3 CYSS H       3 CYSS HB2     3.33            #peak 4
  3 CYSS H       3 CYSS HB3     4.20            #peak 5
  3 CYSS HB3     4 ILE  H       3.73            #peak 6
  3 CYSS HB2     4 ILE  H       4.45            #peak 7
  4 ILE  H       4 ILE  HB      3.58            #peak 8
 12 CYSS H      12 CYSS HB3     4.01            #peak 13
 12 CYSS H      12 CYSS HB2     3.27            #peak 14
  3 CYSS HA     12 CYSS HA      2.87            #peak 16
 12 CYSS HA     13 LEU  H       2.68            #peak 27
 13 LEU  H      13 LEU  HB2     3.48            #peak 29
 11 ILE  HA     12 CYSS H       2.71            #peak 34
 11 ILE  H      11 ILE  HB      3.42            #peak 35
 11 ILE  HB     12 CYSS H       4.26            #peak 36
 13 LEU  HA     14 ARG  H       2.87            #peak 42
 14 ARG  H      14 ARG  QB      4.18            #peak 46
 15 ASP  H      15 ASP  HB2     3.89            #peak 52
 15 ASP  H      15 ASP  HB3     3.89            #peak 53
  1 GLY  H      15 ASP  HA      3.58            #peak 54
 14 ARG  HA     15 ASP  H       3.33            #peak 61
 13 LEU  H      13 LEU  HB3     3.48            #peak 63
 13 LEU  HB3    15 ASP  H       3.67            #peak 64
 14 ARG  QB     15 ASP  H       5.14            #peak 65
 13 LEU  HB2    15 ASP  H       3.67            #peak 66
  2 HIS  QB      3 CYSS H       5.39            #peak 70
  2 HIS  HA      3 CYSS H       2.83            #peak 75
 10 PRO  HA     11 ILE  H       2.83            #peak 80
  8 SER  H       9 GLY  H       3.27            #peak 84
  8 SER  QB      9 GLY  H       6.35            #peak 86
  6 THR  HA      7 THR  H       2.99            #peak 88
  6 THR  HB      7 THR  H       2.77            #peak 90
  7 THR  H       7 THR  HB      3.58            #peak 94
  7 THR  HB      8 SER  H       4.17            #peak 96
  6 THR  HB      8 SER  H       3.79            #peak 98
 12 CYSS HB3    13 LEU  H       3.86            #peak 99
  4 ILE  H      11 ILE  H       3.61            #peak 100
  7 THR  H       8 SER  H       3.52            #peak 102
 14 ARG  H      15 ASP  H       3.61            #peak 104
  1 GLY  H      15 ASP  H       3.39            #peak 107
  4 ILE  H      12 CYSS HA      3.95            #peak 114
  3 CYSS HA     13 LEU  H       3.76            #peak 115
 12 CYSS HB2    13 LEU  H       4.54            #peak 118
  3 CYSS H       4 ILE  H       4.57            #peak 119
  1 GLY  H       2 HIS  H       3.48            #peak 120
  6 THR  H       7 THR  H       4.66            #peak 121
  6 THR  H      10 PRO  HA      3.39            #peak 144
  5 PRO  HA     10 PRO  HA      3.48            #peak 146
  5 PRO  HA      6 THR  H       2.74            #peak 150
  5 PRO  HB3     6 THR  H       4.23            #peak 154
  7 THR  HA      9 GLY  H       4.57            #peak 183
  7 THR  HA      7 THR  HB      2.96            #peak 223
  5 PRO  HA     11 ILE  H       4.42            #peak 307
  2 HIS  H       3 CYSS H       5.50            #peak 329
  4 ILE  H       4 ILE  HG12    4.72            #peak 9
  4 ILE  H       4 ILE  HG13    4.72            #peak 10
 13 LEU  H      13 LEU  HG      3.86            #peak 30
 11 ILE  H      11 ILE  HG12    5.31            #peak 37
 11 ILE  H      11 ILE  HG13    5.31            #peak 38
 14 ARG  H      14 ARG  QD      6.38            #peak 44
 14 ARG  H      14 ARG  QG      6.04            #peak 47
 14 ARG  QB     14 ARG  HE      6.38            #peak 48
 14 ARG  HA     14 ARG  HE      5.50            #peak 50
  1 GLY  H      15 ASP  HB2     5.50            #peak 59
  1 GLY  H      15 ASP  HB3     5.50            #peak 60
 14 ARG  QG     15 ASP  H       6.38            #peak 62
  3 CYSS HB3    11 ILE  H       5.50            #peak 117
  9 GLY  H      10 PRO  QD      6.39            #peak 136
  4 ILE  HA      5 PRO  HD2     3.52            #peak 148
  4 ILE  HA      5 PRO  HD3     3.52            #peak 149
  4 ILE  HB     11 ILE  H       5.50            #peak 185
  3 CYSS HB3    10 PRO  HB3     5.50            #peak 191
  3 CYSS HB3    12 CYSS HA      5.50            #peak 193
  3 CYSS HA     12 CYSS HB2     5.50            #peak 197
  3 CYSS HA     12 CYSS HB3     5.50            #peak 198
 14 ARG  HA     14 ARG  QD      6.38            #peak 206
  2 HIS  HA     14 ARG  QD      5.79            #peak 217
  2 HIS  H       2 HIS  HD2     5.50            #peak 306
  3 CYSS HB3    10 PRO  HB2     5.50            #peak 326
 14 ARG  QD     15 ASP  H       6.38            #peak 328
  4 ILE  H       4 ILE  QG2     6.52            #peak 11
  4 ILE  H       4 ILE  QD1     6.52            #peak 12
 13 LEU  H      13 LEU  QD1     6.52            #peak 31
 13 LEU  H      13 LEU  QD2     6.52            #peak 32
 11 ILE  H      11 ILE  QD1     6.40            #peak 40
 11 ILE  QD1    12 CYSS H       5.78            #peak 41
 13 LEU  QD2    15 ASP  H       6.52            #peak 67
 13 LEU  QD1    15 ASP  H       6.52            #peak 68
  6 THR  H       6 THR  QG2     5.87            #peak 91
  6 THR  QG2     7 THR  H       6.36            #peak 92
  7 THR  H       7 THR  QG2     4.97            #peak 93
  6 THR  QG2    11 ILE  H       6.52            #peak 116
  6 THR  QG2     8 SER  H       6.52            #peak 186
  7 THR  QG2     8 SER  H       6.52            #peak 187
  2 HIS  HD1     4 ILE  QG2     6.52            #peak 188
  4 ILE  HA      4 ILE  QD1     5.00            #peak 221
 11 ILE  HA     11 ILE  QD1     5.56            #peak 246
  4 ILE  HB      6 THR  QG2     6.52            #peak 284
  6 THR  QG2    11 ILE  HB      6.52            #peak 285
  4 ILE  QD1    13 LEU  HA      6.52            #peak 292
 13 LEU  HA     13 LEU  QD2     6.52            #peak 303
 13 LEU  HA     13 LEU  QD1     6.52            #peak 304
  1 GLY  H      13 LEU  QB      5.34            #peak 258
  3 CYSS HB3    10 PRO  QB      4.83            #peak 191
  4 ILE  H       4 ILE  QG1     4.14            #peak 10
  4 ILE  H      10 PRO  QB      5.34            #peak 137
  4 ILE  HA      5 PRO  QD      3.06            #peak 148
  4 ILE  QG2     5 PRO  QD      6.03            #peak 325
  5 PRO  QG      6 THR  H       5.03            #peak 153
  5 PRO  QD      6 THR  H       4.96            #peak 151
  6 THR  H       9 GLY  QA      4.85            #peak 145
 10 PRO  QB     11 ILE  H       3.95            #peak 184
 11 ILE  H      11 ILE  QG1     4.66            #peak 37
 11 ILE  QG1    12 CYSS H       5.34            #peak 39
 13 LEU  H      13 LEU  QB      2.91            #peak 29
 13 LEU  H      13 LEU  QQD     5.62            #peak 32
 13 LEU  QB     13 LEU  HG      2.31            #peak 293
 13 LEU  QB     15 ASP  H       3.18            #peak 66
 15 ASP  H      15 ASP  QB      3.23            #peak 53
  
Dihedral angles
   2   HIS  PHI    -169.8   -33.0
   2   HIS  PSI      90.9   202.1
   3   CYSS  PHI    -153.0  -102.6
   3   CYSS  PSI     108.5   185.0
   4   ILE  PHI    -145.7   -87.7
   5   PRO  PSI     125.0   165.0
   6   THR  PHI    -161.8   -50.4
   6   THR  PSI     138.3   186.1
   7   THR  PHI     -82.6   -42.6
   7   THR  PSI     -53.1    -8.6
   8   SER  PHI     -92.2   -52.2
   8   SER  PSI     -60.0    -1.2
  10   PRO  PSI     115.6   173.0
  11   ILE  PHI    -130.2   -66.7
  11   ILE  PSI     101.7   182.1
  12   CYSS  PHI    -149.7   -73.6
  12   CYSS  PSI      96.4   165.5
  13   LEU  PHI    -157.9   -46.6
  13   LEU  PSI      77.9   207.3
  3    CYSS CHI1     -90    -30
  6    THR  CHI1      30     90
  12   CYSS CHI1     -90    -30
  14   ARG  CHI1     -90    -30
  15   ASP  CHI1     -210   -30
  8    SER  CHI1      30     90
  7    THR  CHI1      30     90

Hydrogen Bonds
4 ILE H 11 ILE O 2.30
4 ILE N 11 ILE O 3.30
11 ILE H 4 ILE O 2.30
11 ILE N 4 ILE O 3.30
6 THR H 9 GLY O 2.30
6 THR N 9 GLY O 3.30
9 GLY H 6 THR O 2.30
9 GLY N 6 THR O 3.30
13 LEU H 2 HIS O 2.30
13 LEU N 2 HIS O 3.30
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.135   2.318   0.865
    2    HA2  GLY   1           2HA      GLY   1  -7.495   5.079   0.931
    3    HA3  GLY   1           3HA      GLY   1  -6.113   4.131   1.463
    4    H    HIS   2           H        HIS   2  -4.849   3.149  -0.022
    5    HA   HIS   2           HA       HIS   2  -5.705   2.435  -2.627
    6    HB2  HIS   2           1HB      HIS   2  -5.138   5.155  -2.341
    7    HB3  HIS   2           2HB      HIS   2  -3.684   4.475  -3.077
    8    HD1  HIS   2           1HD      HIS   2  -5.925   6.353  -4.459
    9    HD2  HIS   2           2HD      HIS   2  -5.352   2.275  -5.009
   10    HE1  HIS   2           1HE      HIS   2  -6.931   5.829  -6.703
   11    H    CYS   3           H        CYS   3  -3.360   2.529  -4.038
   12    HA   CYS   3           HA       CYS   3  -1.656   0.756  -2.436
   13    HB2  CYS   3           1HB      CYS   3  -1.596   1.114  -5.436
   14    HB3  CYS   3           2HB      CYS   3  -0.902  -0.206  -4.492
   15    H    ILE   4           H        ILE   4  -0.008   1.783  -1.511
   16    HA   ILE   4           HA       ILE   4   1.543   3.672  -3.154
   17    HB   ILE   4           HB       ILE   4   2.135   4.661  -0.783
   18   HG12  ILE   4          1HG1      ILE   4  -0.737   4.066  -0.235
   19   HG13  ILE   4          2HG1      ILE   4   0.454   2.804   0.125
   20   HG21  ILE   4          1HG2      ILE   4   1.282   6.305  -2.040
   21   HG22  ILE   4          2HG2      ILE   4   0.063   5.254  -2.757
   22   HG23  ILE   4          3HG2      ILE   4  -0.221   5.985  -1.177
   23   HD11  ILE   4          3HD1      ILE   4   1.702   4.525   1.476
   24   HD12  ILE   4          1HD1      ILE   4   0.284   5.559   1.301
   25   HD13  ILE   4          2HD1      ILE   4   0.147   4.005   2.125
   26    HA   PRO   5           HA       PRO   5   5.151   1.376  -2.172
   27    HB2  PRO   5           1HB      PRO   5   7.040   3.342  -1.904
   28    HB3  PRO   5           2HB      PRO   5   6.335   2.873  -3.451
   29    HG2  PRO   5           1HG      PRO   5   5.599   5.145  -1.636
   30    HG3  PRO   5           2HG      PRO   5   5.820   5.141  -3.426
   31    HD2  PRO   5           1HD      PRO   5   3.373   5.087  -2.253
   32    HD3  PRO   5           2HD      PRO   5   3.719   4.262  -3.781
   33    H    THR   6           H        THR   6   6.494   0.698  -0.491
   34    HA   THR   6           HA       THR   6   6.398   2.159   2.038
   35    HB   THR   6           HB       THR   6   5.608   0.361   3.344
   36    HG1  THR   6           1HG      THR   6   5.351  -1.406   1.176
   37   HG21  THR   6          3HG2      THR   6   3.903   0.145   0.872
   38   HG22  THR   6          1HG2      THR   6   3.895   1.571   1.908
   39   HG23  THR   6          2HG2      THR   6   3.405   0.007   2.557
   40    H    THR   7           H        THR   7   7.735   0.770   3.728
   41    HA   THR   7           HA       THR   7  10.385   0.787   2.907
   42    HB   THR   7           HB       THR   7  10.690  -0.797   4.976
   43    HG1  THR   7           1HG      THR   7   8.865  -1.388   5.850
   44   HG21  THR   7          3HG2      THR   7   9.461   1.897   5.506
   45   HG22  THR   7          1HG2      THR   7  11.058   1.725   4.778
   46   HG23  THR   7          2HG2      THR   7  10.751   1.084   6.393
   47    H    SER   8           H        SER   8   8.033  -1.812   2.863
   48    HA   SER   8           HA       SER   8  10.044  -3.751   2.032
   49    HB2  SER   8           1HB      SER   8   8.049  -5.329   2.004
   50    HB3  SER   8           2HB      SER   8   8.461  -4.632   3.580
   51    HG   SER   8           HG       SER   8   6.490  -3.549   1.852
   52    H    GLY   9           H        GLY   9   7.643  -1.681   0.677
   53    HA2  GLY   9           2HA      GLY   9   8.286  -1.479  -1.842
   54    HA3  GLY   9           3HA      GLY   9   7.687  -3.131  -1.874
   55    HA   PRO  10           HA       PRO  10   4.170  -0.237  -2.804
   56    HB2  PRO  10           1HB      PRO  10   3.324  -1.577  -5.037
   57    HB3  PRO  10           2HB      PRO  10   4.567  -0.327  -5.066
   58    HG2  PRO  10           1HG      PRO  10   4.869  -3.310  -4.986
   59    HG3  PRO  10           2HG      PRO  10   5.736  -2.103  -6.008
   60    HD2  PRO  10           1HD      PRO  10   6.842  -3.207  -3.789
   61    HD3  PRO  10           2HD      PRO  10   7.175  -1.544  -4.297
   62    H    ILE  11           H        ILE  11   2.599  -0.678  -1.385
   63    HA   ILE  11           HA       ILE  11   1.415  -3.378  -1.411
   64    HB   ILE  11           HB       ILE  11   1.523  -1.447   0.910
   65   HG12  ILE  11          1HG1      ILE  11   2.946  -4.090   0.507
   66   HG13  ILE  11          2HG1      ILE  11   3.707  -2.498   0.345
   67   HG21  ILE  11          1HG2      ILE  11   0.598  -3.312   2.211
   68   HG22  ILE  11          2HG2      ILE  11  -0.497  -2.794   0.930
   69   HG23  ILE  11          3HG2      ILE  11   0.457  -4.263   0.732
   70   HD11  ILE  11          3HD1      ILE  11   4.315  -2.927   2.474
   71   HD12  ILE  11          1HD1      ILE  11   2.733  -2.219   2.804
   72   HD13  ILE  11          2HD1      ILE  11   2.927  -3.972   2.779
   73    H    CYS  12           H        CYS  12  -0.766  -3.575  -1.587
   74    HA   CYS  12           HA       CYS  12  -2.237  -1.137  -2.254
   75    HB2  CYS  12           1HB      CYS  12  -2.562  -4.045  -2.874
   76    HB3  CYS  12           2HB      CYS  12  -3.996  -3.017  -2.891
   77    H    LEU  13           H        LEU  13  -3.028  -0.203  -0.458
   78    HA   LEU  13           HA       LEU  13  -4.031  -1.756   1.753
   79    HB2  LEU  13           1HB      LEU  13  -3.607   1.127   1.151
   80    HB3  LEU  13           2HB      LEU  13  -4.814   0.709   2.382
   81    HG   LEU  13           HG       LEU  13  -1.895  -0.058   2.452
   82   HD11  LEU  13          1HD1      LEU  13  -3.481   2.091   3.824
   83   HD12  LEU  13          2HD1      LEU  13  -2.002   2.248   2.877
   84   HD13  LEU  13          3HD1      LEU  13  -1.953   1.488   4.467
   85   HD21  LEU  13          3HD2      LEU  13  -4.194  -0.596   4.313
   86   HD22  LEU  13          1HD2      LEU  13  -2.511  -0.663   4.834
   87   HD23  LEU  13          2HD2      LEU  13  -3.087  -1.754   3.574
   88    H    ARG  14           H        ARG  14  -6.134  -2.053   2.365
   89    HA   ARG  14           HA       ARG  14  -8.139  -1.541   0.301
   90    HB2  ARG  14           1HB      ARG  14  -8.242  -3.262   2.790
   91    HB3  ARG  14           2HB      ARG  14  -9.537  -3.125   1.593
   92    HG2  ARG  14           1HG      ARG  14  -6.778  -4.263   1.150
   93    HG3  ARG  14           2HG      ARG  14  -8.312  -5.149   1.197
   94    HD2  ARG  14           1HD      ARG  14  -9.083  -3.847  -0.780
   95    HD3  ARG  14           2HD      ARG  14  -7.483  -3.097  -0.851
   96    HE   ARG  14           HE       ARG  14  -6.691  -4.988  -1.849
   97   HH11  ARG  14          1HH1      ARG  14  -9.675  -5.748  -0.226
   98   HH12  ARG  14          2HH1      ARG  14  -9.754  -7.364  -0.847
   99   HH21  ARG  14          1HH2      ARG  14  -6.782  -7.115  -2.672
  100   HH22  ARG  14          2HH2      ARG  14  -8.106  -8.141  -2.236
  101    H    ASP  15           H        ASP  15  -7.083   0.522   2.190
  102    HA   ASP  15           HA       ASP  15  -9.689   1.509   3.067
  103    HB2  ASP  15           1HB      ASP  15  -7.262   1.252   4.861
  104    HB3  ASP  15           2HB      ASP  15  -8.667   2.255   5.247
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -6.751   2.303   2.896
    2    HA2  GLY   1           2HA      GLY   1  -6.844   4.958   1.860
    3    HA3  GLY   1           3HA      GLY   1  -5.394   4.013   2.165
    4    H    HIS   2           H        HIS   2  -4.350   3.061   0.491
    5    HA   HIS   2           HA       HIS   2  -5.551   2.472  -2.009
    6    HB2  HIS   2           1HB      HIS   2  -5.040   5.148  -1.741
    7    HB3  HIS   2           2HB      HIS   2  -3.552   4.575  -2.499
    8    HD1  HIS   2           1HD      HIS   2  -3.645   4.822  -4.945
    9    HD2  HIS   2           2HD      HIS   2  -7.366   3.872  -3.360
   10    HE1  HIS   2           1HE      HIS   2  -5.201   4.691  -6.915
   11    H    CYS   3           H        CYS   3  -3.403   2.601  -3.706
   12    HA   CYS   3           HA       CYS   3  -1.544   0.730  -2.418
   13    HB2  CYS   3           1HB      CYS   3  -1.988   1.240  -5.371
   14    HB3  CYS   3           2HB      CYS   3  -1.016  -0.052  -4.662
   15    H    ILE   4           H        ILE   4   0.204   1.724  -1.644
   16    HA   ILE   4           HA       ILE   4   1.674   3.522  -3.441
   17    HB   ILE   4           HB       ILE   4   2.350   4.699  -1.175
   18   HG12  ILE   4          1HG1      ILE   4   0.436   4.906   0.349
   19   HG13  ILE   4          2HG1      ILE   4  -0.463   3.727  -0.621
   20   HG21  ILE   4          1HG2      ILE   4   1.295   5.720  -3.181
   21   HG22  ILE   4          2HG2      ILE   4  -0.281   5.305  -2.511
   22   HG23  ILE   4          3HG2      ILE   4   0.768   6.438  -1.658
   23   HD11  ILE   4          3HD1      ILE   4   2.165   2.839   0.372
   24   HD12  ILE   4          1HD1      ILE   4   0.901   3.071   1.580
   25   HD13  ILE   4          2HD1      ILE   4   0.641   1.961   0.234
   26    HA   PRO   5           HA       PRO   5   5.269   1.250  -2.355
   27    HB2  PRO   5           1HB      PRO   5   7.198   3.195  -2.319
   28    HB3  PRO   5           2HB      PRO   5   6.440   2.604  -3.797
   29    HG2  PRO   5           1HG      PRO   5   5.798   5.044  -2.173
   30    HG3  PRO   5           2HG      PRO   5   5.966   4.875  -3.961
   31    HD2  PRO   5           1HD      PRO   5   3.554   4.975  -2.720
   32    HD3  PRO   5           2HD      PRO   5   3.841   4.009  -4.178
   33    H    THR   6           H        THR   6   6.629   0.686  -0.654
   34    HA   THR   6           HA       THR   6   6.647   2.374   1.733
   35    HB   THR   6           HB       THR   6   5.839   0.737   3.217
   36    HG1  THR   6           1HG      THR   6   5.494  -1.234   1.248
   37   HG21  THR   6          3HG2      THR   6   4.131   0.481   0.739
   38   HG22  THR   6          1HG2      THR   6   4.067   1.821   1.883
   39   HG23  THR   6          2HG2      THR   6   3.614   0.198   2.401
   40    H    THR   7           H        THR   7   7.996   1.108   3.506
   41    HA   THR   7           HA       THR   7  10.621   0.984   2.631
   42    HB   THR   7           HB       THR   7  10.915  -0.469   4.809
   43    HG1  THR   7           1HG      THR   7   9.112  -0.040   6.240
   44   HG21  THR   7          3HG2      THR   7  11.685   1.771   4.765
   45   HG22  THR   7          1HG2      THR   7  10.627   1.655   6.170
   46   HG23  THR   7          2HG2      THR   7  10.044   2.411   4.688
   47    H    SER   8           H        SER   8   8.214  -1.560   2.854
   48    HA   SER   8           HA       SER   8  10.163  -3.595   2.105
   49    HB2  SER   8           1HB      SER   8   8.622  -5.188   2.768
   50    HB3  SER   8           2HB      SER   8   8.164  -3.830   3.810
   51    HG   SER   8           HG       SER   8   6.649  -5.091   2.053
   52    H    GLY   9           H        GLY   9   7.730  -1.601   0.689
   53    HA2  GLY   9           2HA      GLY   9   8.282  -1.603  -1.862
   54    HA3  GLY   9           3HA      GLY   9   7.654  -3.241  -1.742
   55    HA   PRO  10           HA       PRO  10   4.152  -0.356  -2.758
   56    HB2  PRO  10           1HB      PRO  10   3.197  -1.846  -4.850
   57    HB3  PRO  10           2HB      PRO  10   4.457  -0.627  -5.019
   58    HG2  PRO  10           1HG      PRO  10   4.714  -3.600  -4.724
   59    HG3  PRO  10           2HG      PRO  10   5.559  -2.492  -5.866
   60    HD2  PRO  10           1HD      PRO  10   6.733  -3.446  -3.613
   61    HD3  PRO  10           2HD      PRO  10   7.074  -1.832  -4.259
   62    H    ILE  11           H        ILE  11   2.633  -0.658  -1.248
   63    HA   ILE  11           HA       ILE  11   1.439  -3.340  -0.980
   64    HB   ILE  11           HB       ILE  11   1.579  -1.149   1.094
   65   HG12  ILE  11          1HG1      ILE  11   3.747  -2.223   0.686
   66   HG13  ILE  11          2HG1      ILE  11   3.107  -2.653   2.282
   67   HG21  ILE  11          1HG2      ILE  11  -0.188  -2.181   1.978
   68   HG22  ILE  11          2HG2      ILE  11  -0.053  -3.536   0.860
   69   HG23  ILE  11          3HG2      ILE  11   0.902  -3.518   2.342
   70   HD11  ILE  11          3HD1      ILE  11   2.224  -4.591   0.391
   71   HD12  ILE  11          1HD1      ILE  11   3.970  -4.387   0.247
   72   HD13  ILE  11          2HD1      ILE  11   3.254  -4.803   1.806
   73    H    CYS  12           H        CYS  12  -0.696  -3.576  -1.291
   74    HA   CYS  12           HA       CYS  12  -2.224  -1.187  -2.024
   75    HB2  CYS  12           1HB      CYS  12  -2.359  -4.079  -2.732
   76    HB3  CYS  12           2HB      CYS  12  -3.874  -3.173  -2.722
   77    H    LEU  13           H        LEU  13  -3.850  -0.439  -0.817
   78    HA   LEU  13           HA       LEU  13  -4.761  -2.096   1.443
   79    HB2  LEU  13           1HB      LEU  13  -4.006   0.754   1.216
   80    HB3  LEU  13           2HB      LEU  13  -5.443   0.404   2.193
   81    HG   LEU  13           HG       LEU  13  -2.684  -0.727   2.654
   82   HD11  LEU  13          1HD1      LEU  13  -2.755   1.614   3.210
   83   HD12  LEU  13          2HD1      LEU  13  -2.756   0.664   4.695
   84   HD13  LEU  13          3HD1      LEU  13  -4.253   1.392   4.113
   85   HD21  LEU  13          3HD2      LEU  13  -4.021  -2.368   3.527
   86   HD22  LEU  13          1HD2      LEU  13  -5.351  -1.259   3.864
   87   HD23  LEU  13          2HD2      LEU  13  -3.929  -1.274   4.908
   88    H    ARG  14           H        ARG  14  -6.945  -2.182   1.916
   89    HA   ARG  14           HA       ARG  14  -8.701  -1.409  -0.290
   90    HB2  ARG  14           1HB      ARG  14  -9.243  -3.181   2.105
   91    HB3  ARG  14           2HB      ARG  14 -10.327  -2.934   0.727
   92    HG2  ARG  14           1HG      ARG  14  -7.617  -4.264   0.677
   93    HG3  ARG  14           2HG      ARG  14  -9.199  -5.040   0.485
   94    HD2  ARG  14           1HD      ARG  14  -8.025  -2.965  -1.381
   95    HD3  ARG  14           2HD      ARG  14  -8.058  -4.711  -1.667
   96    HE   ARG  14           HE       ARG  14 -10.206  -2.875  -2.055
   97   HH11  ARG  14          1HH1      ARG  14  -9.449  -6.164  -1.201
   98   HH12  ARG  14          2HH1      ARG  14 -10.969  -6.792  -1.747
   99   HH21  ARG  14          1HH2      ARG  14 -12.210  -3.690  -2.776
  100   HH22  ARG  14          2HH2      ARG  14 -12.538  -5.384  -2.643
  101    H    ASP  15           H        ASP  15  -7.658   0.500   1.728
  102    HA   ASP  15           HA       ASP  15 -10.236   1.660   2.454
  103    HB2  ASP  15           1HB      ASP  15  -9.229   0.311   4.405
  104    HB3  ASP  15           2HB      ASP  15  -8.021   1.598   4.492
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -6.755   2.311   2.896
    2    HA2  GLY   1           2HA      GLY   1  -6.853   4.962   1.852
    3    HA3  GLY   1           3HA      GLY   1  -5.401   4.021   2.159
    4    H    HIS   2           H        HIS   2  -4.355   3.063   0.489
    5    HA   HIS   2           HA       HIS   2  -5.554   2.469  -2.011
    6    HB2  HIS   2           1HB      HIS   2  -5.001   5.153  -1.727
    7    HB3  HIS   2           2HB      HIS   2  -3.556   4.550  -2.542
    8    HD1  HIS   2           1HD      HIS   2  -3.904   5.338  -4.885
    9    HD2  HIS   2           2HD      HIS   2  -7.244   3.396  -3.359
   10    HE1  HIS   2           1HE      HIS   2  -5.491   5.109  -6.822
   11    H    CYS   3           H        CYS   3  -3.403   2.598  -3.706
   12    HA   CYS   3           HA       CYS   3  -1.545   0.729  -2.414
   13    HB2  CYS   3           1HB      CYS   3  -1.981   1.237  -5.367
   14    HB3  CYS   3           2HB      CYS   3  -1.015  -0.058  -4.654
   15    H    ILE   4           H        ILE   4   0.202   1.724  -1.638
   16    HA   ILE   4           HA       ILE   4   1.672   3.523  -3.433
   17    HB   ILE   4           HB       ILE   4   2.348   4.696  -1.166
   18   HG12  ILE   4          1HG1      ILE   4   0.436   4.900   0.360
   19   HG13  ILE   4          2HG1      ILE   4  -0.464   3.722  -0.611
   20   HG21  ILE   4          1HG2      ILE   4   0.525   6.352  -1.572
   21   HG22  ILE   4          2HG2      ILE   4   1.425   5.893  -3.016
   22   HG23  ILE   4          3HG2      ILE   4  -0.177   5.217  -2.723
   23   HD11  ILE   4          3HD1      ILE   4   2.165   2.834   0.378
   24   HD12  ILE   4          1HD1      ILE   4   0.902   3.063   1.588
   25   HD13  ILE   4          2HD1      ILE   4   0.642   1.956   0.240
   26    HA   PRO   5           HA       PRO   5   5.267   1.251  -2.353
   27    HB2  PRO   5           1HB      PRO   5   7.196   3.194  -2.313
   28    HB3  PRO   5           2HB      PRO   5   6.438   2.606  -3.791
   29    HG2  PRO   5           1HG      PRO   5   5.797   5.044  -2.164
   30    HG3  PRO   5           2HG      PRO   5   5.964   4.878  -3.952
   31    HD2  PRO   5           1HD      PRO   5   3.553   4.976  -2.711
   32    HD3  PRO   5           2HD      PRO   5   3.839   4.012  -4.169
   33    H    THR   6           H        THR   6   6.630   0.684  -0.651
   34    HA   THR   6           HA       THR   6   6.646   2.366   1.738
   35    HB   THR   6           HB       THR   6   5.839   0.726   3.219
   36    HG1  THR   6           1HG      THR   6   6.191  -1.316   2.824
   37   HG21  THR   6          3HG2      THR   6   4.067   0.265   0.834
   38   HG22  THR   6          1HG2      THR   6   4.131   1.821   1.660
   39   HG23  THR   6          2HG2      THR   6   3.616   0.379   2.534
   40    H    THR   7           H        THR   7   8.002   1.113   3.507
   41    HA   THR   7           HA       THR   7  10.625   0.988   2.630
   42    HB   THR   7           HB       THR   7  11.220   0.092   4.769
   43    HG1  THR   7           1HG      THR   7   9.996  -1.442   5.545
   44   HG21  THR   7          3HG2      THR   7   8.734   1.676   5.352
   45   HG22  THR   7          1HG2      THR   7  10.146   2.420   4.603
   46   HG23  THR   7          2HG2      THR   7  10.278   1.691   6.203
   47    H    SER   8           H        SER   8   8.221  -1.559   2.852
   48    HA   SER   8           HA       SER   8  10.173  -3.592   2.102
   49    HB2  SER   8           1HB      SER   8   8.326  -5.191   2.399
   50    HB3  SER   8           2HB      SER   8   8.513  -4.153   3.825
   51    HG   SER   8           HG       SER   8   6.623  -3.276   3.455
   52    H    GLY   9           H        GLY   9   7.724  -1.608   0.691
   53    HA2  GLY   9           2HA      GLY   9   8.282  -1.606  -1.864
   54    HA3  GLY   9           3HA      GLY   9   7.654  -3.243  -1.744
   55    HA   PRO  10           HA       PRO  10   4.152  -0.358  -2.758
   56    HB2  PRO  10           1HB      PRO  10   3.197  -1.845  -4.851
   57    HB3  PRO  10           2HB      PRO  10   4.458  -0.625  -5.019
   58    HG2  PRO  10           1HG      PRO  10   4.715  -3.599  -4.727
   59    HG3  PRO  10           2HG      PRO  10   5.561  -2.489  -5.868
   60    HD2  PRO  10           1HD      PRO  10   6.734  -3.445  -3.616
   61    HD3  PRO  10           2HD      PRO  10   7.075  -1.831  -4.261
   62    H    ILE  11           H        ILE  11   2.633  -0.661  -1.249
   63    HA   ILE  11           HA       ILE  11   1.438  -3.343  -0.986
   64    HB   ILE  11           HB       ILE  11   1.566  -1.158   1.097
   65   HG12  ILE  11          1HG1      ILE  11   2.997  -3.825   0.962
   66   HG13  ILE  11          2HG1      ILE  11   3.746  -2.250   0.647
   67   HG21  ILE  11          1HG2      ILE  11  -0.455  -2.511   1.276
   68   HG22  ILE  11          2HG2      ILE  11   0.518  -3.980   1.274
   69   HG23  ILE  11          3HG2      ILE  11   0.645  -2.841   2.614
   70   HD11  ILE  11          3HD1      ILE  11   4.370  -2.594   2.816
   71   HD12  ILE  11          1HD1      ILE  11   2.877  -1.682   3.043
   72   HD13  ILE  11          2HD1      ILE  11   2.876  -3.437   3.229
   73    H    CYS  12           H        CYS  12  -0.698  -3.577  -1.295
   74    HA   CYS  12           HA       CYS  12  -2.223  -1.186  -2.026
   75    HB2  CYS  12           1HB      CYS  12  -2.367  -4.079  -2.730
   76    HB3  CYS  12           2HB      CYS  12  -3.878  -3.169  -2.718
   77    H    LEU  13           H        LEU  13  -3.856  -0.438  -0.825
   78    HA   LEU  13           HA       LEU  13  -4.759  -2.086   1.444
   79    HB2  LEU  13           1HB      LEU  13  -4.008   0.764   1.206
   80    HB3  LEU  13           2HB      LEU  13  -5.444   0.415   2.186
   81    HG   LEU  13           HG       LEU  13  -2.682  -0.712   2.647
   82   HD11  LEU  13          1HD1      LEU  13  -4.112   1.111   4.522
   83   HD12  LEU  13          2HD1      LEU  13  -3.264   1.791   3.133
   84   HD13  LEU  13          3HD1      LEU  13  -2.383   0.829   4.321
   85   HD21  LEU  13          3HD2      LEU  13  -4.186  -2.335   3.420
   86   HD22  LEU  13          1HD2      LEU  13  -5.319  -1.125   4.025
   87   HD23  LEU  13          2HD2      LEU  13  -3.782  -1.385   4.850
   88    H    ARG  14           H        ARG  14  -6.944  -2.177   1.918
   89    HA   ARG  14           HA       ARG  14  -8.703  -1.412  -0.287
   90    HB2  ARG  14           1HB      ARG  14  -9.238  -3.180   2.111
   91    HB3  ARG  14           2HB      ARG  14 -10.326  -2.935   0.737
   92    HG2  ARG  14           1HG      ARG  14  -7.615  -4.264   0.680
   93    HG3  ARG  14           2HG      ARG  14  -9.197  -5.041   0.492
   94    HD2  ARG  14           1HD      ARG  14  -8.028  -2.966  -1.379
   95    HD3  ARG  14           2HD      ARG  14  -8.064  -4.712  -1.664
   96    HE   ARG  14           HE       ARG  14 -10.207  -2.877  -2.056
   97   HH11  ARG  14          1HH1      ARG  14  -9.465  -6.160  -1.166
   98   HH12  ARG  14          2HH1      ARG  14 -10.991  -6.787  -1.697
   99   HH21  ARG  14          1HH2      ARG  14 -12.219  -3.690  -2.759
  100   HH22  ARG  14          2HH2      ARG  14 -12.556  -5.381  -2.604
  101    H    ASP  15           H        ASP  15  -7.659   0.500   1.731
  102    HA   ASP  15           HA       ASP  15 -10.239   1.659   2.455
  103    HB2  ASP  15           1HB      ASP  15  -8.898   0.299   4.372
  104    HB3  ASP  15           2HB      ASP  15  -8.160   1.896   4.551
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -6.742   2.240   2.885
    2    HA2  GLY   1           2HA      GLY   1  -6.781   4.932   1.905
    3    HA3  GLY   1           3HA      GLY   1  -5.353   3.951   2.198
    4    H    HIS   2           H        HIS   2  -4.319   3.030   0.511
    5    HA   HIS   2           HA       HIS   2  -5.539   2.445  -1.981
    6    HB2  HIS   2           1HB      HIS   2  -4.961   5.134  -1.680
    7    HB3  HIS   2           2HB      HIS   2  -3.551   4.517  -2.545
    8    HD1  HIS   2           1HD      HIS   2  -5.737   6.426  -3.799
    9    HD2  HIS   2           2HD      HIS   2  -5.500   2.312  -4.323
   10    HE1  HIS   2           1HE      HIS   2  -6.942   5.953  -5.955
   11    H    CYS   3           H        CYS   3  -3.402   2.587  -3.694
   12    HA   CYS   3           HA       CYS   3  -1.532   0.713  -2.428
   13    HB2  CYS   3           1HB      CYS   3  -1.981   1.235  -5.376
   14    HB3  CYS   3           2HB      CYS   3  -1.024  -0.067  -4.671
   15    H    ILE   4           H        ILE   4   0.220   1.706  -1.659
   16    HA   ILE   4           HA       ILE   4   1.683   3.504  -3.460
   17    HB   ILE   4           HB       ILE   4   2.354   4.692  -1.198
   18   HG12  ILE   4          1HG1      ILE   4   0.442   4.905   0.322
   19   HG13  ILE   4          2HG1      ILE   4  -0.459   3.724  -0.644
   20   HG21  ILE   4          1HG2      ILE   4  -0.324   5.510  -2.174
   21   HG22  ILE   4          2HG2      ILE   4   1.132   6.471  -1.920
   22   HG23  ILE   4          3HG2      ILE   4   0.992   5.444  -3.347
   23   HD11  ILE   4          3HD1      ILE   4   0.900   3.075   1.561
   24   HD12  ILE   4          1HD1      ILE   4   0.639   1.960   0.220
   25   HD13  ILE   4          2HD1      ILE   4   2.164   2.834   0.356
   26    HA   PRO   5           HA       PRO   5   5.280   1.245  -2.360
   27    HB2  PRO   5           1HB      PRO   5   7.206   3.192  -2.330
   28    HB3  PRO   5           2HB      PRO   5   6.450   2.593  -3.806
   29    HG2  PRO   5           1HG      PRO   5   5.803   5.040  -2.195
   30    HG3  PRO   5           2HG      PRO   5   5.973   4.862  -3.981
   31    HD2  PRO   5           1HD      PRO   5   3.559   4.963  -2.743
   32    HD3  PRO   5           2HD      PRO   5   3.849   3.992  -4.196
   33    H    THR   6           H        THR   6   6.629   0.683  -0.652
   34    HA   THR   6           HA       THR   6   6.650   2.384   1.724
   35    HB   THR   6           HB       THR   6   5.838   0.755   3.217
   36    HG1  THR   6           1HG      THR   6   5.287  -1.409   2.325
   37   HG21  THR   6          3HG2      THR   6   4.077   0.339   0.810
   38   HG22  THR   6          1HG2      THR   6   4.121   1.856   1.708
   39   HG23  THR   6          2HG2      THR   6   3.609   0.371   2.509
   40    H    THR   7           H        THR   7   7.993   1.125   3.507
   41    HA   THR   7           HA       THR   7  10.619   0.991   2.643
   42    HB   THR   7           HB       THR   7  11.202   0.091   4.784
   43    HG1  THR   7           1HG      THR   7   9.763  -0.996   6.059
   44   HG21  THR   7          3HG2      THR   7  10.551   1.894   5.959
   45   HG22  THR   7          1HG2      THR   7   8.839   1.531   5.749
   46   HG23  THR   7          2HG2      THR   7   9.724   2.375   4.478
   47    H    SER   8           H        SER   8   8.209  -1.551   2.860
   48    HA   SER   8           HA       SER   8  10.157  -3.588   2.112
   49    HB2  SER   8           1HB      SER   8   8.548  -5.198   2.675
   50    HB3  SER   8           2HB      SER   8   8.247  -3.893   3.836
   51    HG   SER   8           HG       SER   8   6.390  -3.458   2.902
   52    H    GLY   9           H        GLY   9   7.717  -1.597   0.697
   53    HA2  GLY   9           2HA      GLY   9   8.275  -1.594  -1.855
   54    HA3  GLY   9           3HA      GLY   9   7.649  -3.233  -1.737
   55    HA   PRO  10           HA       PRO  10   4.143  -0.351  -2.752
   56    HB2  PRO  10           1HB      PRO  10   3.194  -1.835  -4.849
   57    HB3  PRO  10           2HB      PRO  10   4.454  -0.613  -5.013
   58    HG2  PRO  10           1HG      PRO  10   4.716  -3.587  -4.728
   59    HG3  PRO  10           2HG      PRO  10   5.560  -2.472  -5.864
   60    HD2  PRO  10           1HD      PRO  10   6.734  -3.431  -3.612
   61    HD3  PRO  10           2HD      PRO  10   7.071  -1.815  -4.253
   62    H    ILE  11           H        ILE  11   2.622  -0.661  -1.246
   63    HA   ILE  11           HA       ILE  11   1.427  -3.344  -0.997
   64    HB   ILE  11           HB       ILE  11   2.593  -2.587   1.044
   65   HG12  ILE  11          1HG1      ILE  11  -0.184  -2.409   1.969
   66   HG13  ILE  11          2HG1      ILE  11   0.099  -3.738   0.831
   67   HG21  ILE  11          1HG2      ILE  11   2.099  -0.144   0.611
   68   HG22  ILE  11          2HG2      ILE  11   0.495  -0.447   1.275
   69   HG23  ILE  11          3HG2      ILE  11   1.925  -0.689   2.278
   70   HD11  ILE  11          3HD1      ILE  11   2.102  -3.502   2.958
   71   HD12  ILE  11          1HD1      ILE  11   0.476  -3.921   3.496
   72   HD13  ILE  11          2HD1      ILE  11   1.297  -4.927   2.302
   73    H    CYS  12           H        CYS  12  -0.704  -3.571  -1.326
   74    HA   CYS  12           HA       CYS  12  -2.226  -1.176  -2.041
   75    HB2  CYS  12           1HB      CYS  12  -2.388  -4.070  -2.728
   76    HB3  CYS  12           2HB      CYS  12  -3.895  -3.154  -2.714
   77    H    LEU  13           H        LEU  13  -3.890  -0.434  -0.869
   78    HA   LEU  13           HA       LEU  13  -4.770  -2.054   1.431
   79    HB2  LEU  13           1HB      LEU  13  -4.024   0.793   1.159
   80    HB3  LEU  13           2HB      LEU  13  -5.462   0.457   2.142
   81    HG   LEU  13           HG       LEU  13  -2.699  -0.663   2.620
   82   HD11  LEU  13          1HD1      LEU  13  -4.237   1.612   3.811
   83   HD12  LEU  13          2HD1      LEU  13  -2.564   1.564   3.258
   84   HD13  LEU  13          3HD1      LEU  13  -3.020   0.747   4.753
   85   HD21  LEU  13          3HD2      LEU  13  -4.010  -2.292   3.535
   86   HD22  LEU  13          1HD2      LEU  13  -5.366  -1.200   3.817
   87   HD23  LEU  13          2HD2      LEU  13  -3.965  -1.159   4.886
   88    H    ARG  14           H        ARG  14  -6.952  -2.153   1.907
   89    HA   ARG  14           HA       ARG  14  -8.720  -1.419  -0.301
   90    HB2  ARG  14           1HB      ARG  14  -8.807  -3.410   1.920
   91    HB3  ARG  14           2HB      ARG  14 -10.344  -2.815   1.274
   92    HG2  ARG  14           1HG      ARG  14  -9.610  -4.919   0.217
   93    HG3  ARG  14           2HG      ARG  14  -9.779  -3.583  -0.934
   94    HD2  ARG  14           1HD      ARG  14  -7.391  -3.225  -0.973
   95    HD3  ARG  14           2HD      ARG  14  -7.166  -4.417   0.317
   96    HE   ARG  14           HE       ARG  14  -8.456  -5.524  -1.985
   97   HH11  ARG  14          1HH1      ARG  14  -5.378  -4.664  -0.605
   98   HH12  ARG  14          2HH1      ARG  14  -4.487  -5.811  -1.551
   99   HH21  ARG  14          1HH2      ARG  14  -7.296  -7.037  -3.235
  100   HH22  ARG  14          2HH2      ARG  14  -5.579  -7.160  -3.046
  101    H    ASP  15           H        ASP  15  -7.661   0.483   1.761
  102    HA   ASP  15           HA       ASP  15 -10.240   1.681   2.427
  103    HB2  ASP  15           1HB      ASP  15  -8.572   0.412   4.357
  104    HB3  ASP  15           2HB      ASP  15  -8.495   2.156   4.639
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -6.784   2.371   2.882
    2    HA2  GLY   1           2HA      GLY   1  -6.960   4.970   1.755
    3    HA3  GLY   1           3HA      GLY   1  -5.478   4.088   2.091
    4    H    HIS   2           H        HIS   2  -4.402   3.098   0.450
    5    HA   HIS   2           HA       HIS   2  -5.567   2.444  -2.052
    6    HB2  HIS   2           1HB      HIS   2  -5.052   5.141  -1.806
    7    HB3  HIS   2           2HB      HIS   2  -3.593   4.543  -2.600
    8    HD1  HIS   2           1HD      HIS   2  -3.772   4.819  -5.040
    9    HD2  HIS   2           2HD      HIS   2  -7.425   3.802  -3.342
   10    HE1  HIS   2           1HE      HIS   2  -5.385   4.659  -6.962
   11    H    CYS   3           H        CYS   3  -3.408   2.564  -3.728
   12    HA   CYS   3           HA       CYS   3  -1.531   0.754  -2.382
   13    HB2  CYS   3           1HB      CYS   3  -1.982   1.182  -5.348
   14    HB3  CYS   3           2HB      CYS   3  -0.967  -0.060  -4.614
   15    H    ILE   4           H        ILE   4   0.195   1.795  -1.621
   16    HA   ILE   4           HA       ILE   4   1.632   3.595  -3.446
   17    HB   ILE   4           HB       ILE   4   2.315   4.783  -1.190
   18   HG12  ILE   4          1HG1      ILE   4   0.417   4.961   0.356
   19   HG13  ILE   4          2HG1      ILE   4  -0.472   3.762  -0.600
   20   HG21  ILE   4          1HG2      ILE   4   1.443   6.212  -2.731
   21   HG22  ILE   4          2HG2      ILE   4   0.024   5.207  -3.023
   22   HG23  ILE   4          3HG2      ILE   4   0.111   6.210  -1.575
   23   HD11  ILE   4          3HD1      ILE   4   0.672   2.020   0.247
   24   HD12  ILE   4          1HD1      ILE   4   2.183   2.925   0.361
   25   HD13  ILE   4          2HD1      ILE   4   0.932   3.139   1.586
   26    HA   PRO   5           HA       PRO   5   5.273   1.378  -2.402
   27    HB2  PRO   5           1HB      PRO   5   7.173   3.351  -2.384
   28    HB3  PRO   5           2HB      PRO   5   6.408   2.750  -3.853
   29    HG2  PRO   5           1HG      PRO   5   5.745   5.178  -2.222
   30    HG3  PRO   5           2HG      PRO   5   5.898   5.013  -4.011
   31    HD2  PRO   5           1HD      PRO   5   3.498   5.076  -2.744
   32    HD3  PRO   5           2HD      PRO   5   3.784   4.116  -4.206
   33    H    THR   6           H        THR   6   6.590   0.789  -0.695
   34    HA   THR   6           HA       THR   6   6.683   2.495   1.673
   35    HB   THR   6           HB       THR   6   5.848   0.884   3.184
   36    HG1  THR   6           1HG      THR   6   5.492  -1.243   2.633
   37   HG21  THR   6          3HG2      THR   6   4.027   0.624   0.795
   38   HG22  THR   6          1HG2      THR   6   4.140   2.085   1.776
   39   HG23  THR   6          2HG2      THR   6   3.583   0.576   2.501
   40    H    THR   7           H        THR   7   7.886   0.934   3.464
   41    HA   THR   7           HA       THR   7  10.545   0.777   2.561
   42    HB   THR   7           HB       THR   7  10.764  -0.672   4.763
   43    HG1  THR   7           1HG      THR   7   9.001  -0.011   6.197
   44   HG21  THR   7          3HG2      THR   7  11.694   1.270   5.336
   45   HG22  THR   7          1HG2      THR   7  10.099   1.845   5.818
   46   HG23  THR   7          2HG2      THR   7  10.686   2.143   4.182
   47    H    SER   8           H        SER   8   8.022  -1.650   2.893
   48    HA   SER   8           HA       SER   8   9.855  -3.781   2.120
   49    HB2  SER   8           1HB      SER   8   8.139  -5.315   2.697
   50    HB3  SER   8           2HB      SER   8   8.066  -4.039   3.924
   51    HG   SER   8           HG       SER   8   6.324  -4.509   1.760
   52    H    GLY   9           H        GLY   9   8.167  -1.470   0.536
   53    HA2  GLY   9           2HA      GLY   9   8.378  -1.584  -1.923
   54    HA3  GLY   9           3HA      GLY   9   7.747  -3.221  -1.808
   55    HA   PRO  10           HA       PRO  10   4.228  -0.386  -2.835
   56    HB2  PRO  10           1HB      PRO  10   3.210  -1.976  -4.821
   57    HB3  PRO  10           2HB      PRO  10   4.476  -0.780  -5.084
   58    HG2  PRO  10           1HG      PRO  10   4.717  -3.735  -4.637
   59    HG3  PRO  10           2HG      PRO  10   5.542  -2.696  -5.858
   60    HD2  PRO  10           1HD      PRO  10   6.766  -3.539  -3.586
   61    HD3  PRO  10           2HD      PRO  10   7.101  -1.965  -4.326
   62    H    ILE  11           H        ILE  11   2.742  -0.594  -1.276
   63    HA   ILE  11           HA       ILE  11   1.555  -3.251  -0.815
   64    HB   ILE  11           HB       ILE  11   1.638  -0.919   1.102
   65   HG12  ILE  11          1HG1      ILE  11   3.869  -1.880   0.705
   66   HG13  ILE  11          2HG1      ILE  11   3.292  -2.216   2.347
   67   HG21  ILE  11          1HG2      ILE  11  -0.227  -2.128   1.724
   68   HG22  ILE  11          2HG2      ILE  11   0.475  -3.667   1.225
   69   HG23  ILE  11          3HG2      ILE  11   1.036  -2.879   2.700
   70   HD11  ILE  11          3HD1      ILE  11   2.470  -4.371   0.719
   71   HD12  ILE  11          1HD1      ILE  11   4.170  -4.053   0.375
   72   HD13  ILE  11          2HD1      ILE  11   3.649  -4.370   2.031
   73    H    CYS  12           H        CYS  12  -0.571  -3.525  -1.119
   74    HA   CYS  12           HA       CYS  12  -2.136  -1.185  -1.942
   75    HB2  CYS  12           1HB      CYS  12  -2.206  -4.092  -2.593
   76    HB3  CYS  12           2HB      CYS  12  -3.740  -3.218  -2.610
   77    H    LEU  13           H        LEU  13  -3.768  -0.438  -0.747
   78    HA   LEU  13           HA       LEU  13  -4.661  -2.069   1.540
   79    HB2  LEU  13           1HB      LEU  13  -3.975   0.794   1.249
   80    HB3  LEU  13           2HB      LEU  13  -5.406   0.428   2.231
   81    HG   LEU  13           HG       LEU  13  -2.620  -0.622   2.723
   82   HD11  LEU  13          1HD1      LEU  13  -4.126   1.227   4.522
   83   HD12  LEU  13          2HD1      LEU  13  -3.213   1.867   3.156
   84   HD13  LEU  13          3HD1      LEU  13  -2.390   0.938   4.408
   85   HD21  LEU  13          3HD2      LEU  13  -3.865  -2.273   3.669
   86   HD22  LEU  13          1HD2      LEU  13  -5.276  -1.237   3.890
   87   HD23  LEU  13          2HD2      LEU  13  -3.907  -1.110   4.995
   88    H    ARG  14           H        ARG  14  -6.845  -2.192   2.006
   89    HA   ARG  14           HA       ARG  14  -8.607  -1.514  -0.226
   90    HB2  ARG  14           1HB      ARG  14  -9.163  -3.223   2.210
   91    HB3  ARG  14           2HB      ARG  14 -10.189  -3.068   0.776
   92    HG2  ARG  14           1HG      ARG  14  -7.441  -4.310   0.907
   93    HG3  ARG  14           2HG      ARG  14  -8.988  -5.144   0.672
   94    HD2  ARG  14           1HD      ARG  14  -9.312  -3.902  -1.448
   95    HD3  ARG  14           2HD      ARG  14  -7.726  -3.157  -1.214
   96    HE   ARG  14           HE       ARG  14  -8.264  -5.834  -2.119
   97   HH11  ARG  14          1HH1      ARG  14  -5.932  -3.716  -0.638
   98   HH12  ARG  14          2HH1      ARG  14  -4.567  -4.671  -1.113
   99   HH21  ARG  14          1HH2      ARG  14  -6.475  -7.101  -2.751
  100   HH22  ARG  14          2HH2      ARG  14  -4.877  -6.596  -2.317
  101    H    ASP  15           H        ASP  15  -7.626   0.476   1.729
  102    HA   ASP  15           HA       ASP  15 -10.235   1.576   2.439
  103    HB2  ASP  15           1HB      ASP  15  -9.624   0.532   4.501
  104    HB3  ASP  15           2HB      ASP  15  -7.972   1.154   4.392
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -6.768   2.368   2.893
    2    HA2  GLY   1           2HA      GLY   1  -6.950   4.967   1.767
    3    HA3  GLY   1           3HA      GLY   1  -5.465   4.087   2.097
    4    H    HIS   2           H        HIS   2  -4.395   3.095   0.452
    5    HA   HIS   2           HA       HIS   2  -5.567   2.444  -2.046
    6    HB2  HIS   2           1HB      HIS   2  -5.076   5.136  -1.811
    7    HB3  HIS   2           2HB      HIS   2  -3.594   4.556  -2.575
    8    HD1  HIS   2           1HD      HIS   2  -3.660   4.349  -5.040
    9    HD2  HIS   2           2HD      HIS   2  -7.464   4.241  -3.371
   10    HE1  HIS   2           1HE      HIS   2  -5.248   4.284  -6.989
   11    H    CYS   3           H        CYS   3  -3.411   2.568  -3.729
   12    HA   CYS   3           HA       CYS   3  -1.531   0.754  -2.390
   13    HB2  CYS   3           1HB      CYS   3  -1.994   1.189  -5.351
   14    HB3  CYS   3           2HB      CYS   3  -0.969  -0.051  -4.628
   15    H    ILE   4           H        ILE   4   0.197   1.793  -1.629
   16    HA   ILE   4           HA       ILE   4   1.633   3.594  -3.454
   17    HB   ILE   4           HB       ILE   4   2.315   4.783  -1.197
   18   HG12  ILE   4          1HG1      ILE   4   0.415   4.963   0.346
   19   HG13  ILE   4          2HG1      ILE   4  -0.475   3.766  -0.609
   20   HG21  ILE   4          1HG2      ILE   4   0.286   5.240  -3.209
   21   HG22  ILE   4          2HG2      ILE   4  -0.122   6.016  -1.680
   22   HG23  ILE   4          3HG2      ILE   4   1.415   6.375  -2.468
   23   HD11  ILE   4          3HD1      ILE   4   0.928   3.143   1.578
   24   HD12  ILE   4          1HD1      ILE   4   0.664   2.023   0.242
   25   HD13  ILE   4          2HD1      ILE   4   2.178   2.924   0.354
   26    HA   PRO   5           HA       PRO   5   5.273   1.377  -2.404
   27    HB2  PRO   5           1HB      PRO   5   7.173   3.352  -2.387
   28    HB3  PRO   5           2HB      PRO   5   6.409   2.748  -3.857
   29    HG2  PRO   5           1HG      PRO   5   5.747   5.178  -2.229
   30    HG3  PRO   5           2HG      PRO   5   5.899   5.011  -4.017
   31    HD2  PRO   5           1HD      PRO   5   3.499   5.077  -2.751
   32    HD3  PRO   5           2HD      PRO   5   3.785   4.115  -4.212
   33    H    THR   6           H        THR   6   6.589   0.789  -0.697
   34    HA   THR   6           HA       THR   6   6.681   2.499   1.670
   35    HB   THR   6           HB       THR   6   5.843   0.890   3.183
   36    HG1  THR   6           1HG      THR   6   5.267  -1.243   2.434
   37   HG21  THR   6          3HG2      THR   6   4.040   0.661   0.774
   38   HG22  THR   6          1HG2      THR   6   4.124   2.085   1.811
   39   HG23  THR   6          2HG2      THR   6   3.578   0.544   2.471
   40    H    THR   7           H        THR   7   7.882   0.940   3.463
   41    HA   THR   7           HA       THR   7  10.540   0.781   2.562
   42    HB   THR   7           HB       THR   7  10.844  -0.586   4.752
   43    HG1  THR   7           1HG      THR   7   8.768  -1.202   5.197
   44   HG21  THR   7          3HG2      THR   7  11.096   1.386   5.940
   45   HG22  THR   7          1HG2      THR   7   9.667   2.126   5.220
   46   HG23  THR   7          2HG2      THR   7  11.145   1.959   4.273
   47    H    SER   8           H        SER   8   8.018  -1.645   2.897
   48    HA   SER   8           HA       SER   8   9.852  -3.776   2.127
   49    HB2  SER   8           1HB      SER   8   8.206  -5.304   2.790
   50    HB3  SER   8           2HB      SER   8   7.983  -3.957   3.921
   51    HG   SER   8           HG       SER   8   6.040  -3.754   3.179
   52    H    GLY   9           H        GLY   9   8.164  -1.468   0.539
   53    HA2  GLY   9           2HA      GLY   9   8.375  -1.587  -1.921
   54    HA3  GLY   9           3HA      GLY   9   7.744  -3.223  -1.803
   55    HA   PRO  10           HA       PRO  10   4.226  -0.390  -2.835
   56    HB2  PRO  10           1HB      PRO  10   3.207  -1.981  -4.815
   57    HB3  PRO  10           2HB      PRO  10   4.474  -0.787  -5.083
   58    HG2  PRO  10           1HG      PRO  10   4.713  -3.741  -4.629
   59    HG3  PRO  10           2HG      PRO  10   5.539  -2.706  -5.852
   60    HD2  PRO  10           1HD      PRO  10   6.762  -3.545  -3.579
   61    HD3  PRO  10           2HD      PRO  10   7.098  -1.972  -4.322
   62    H    ILE  11           H        ILE  11   2.741  -0.592  -1.275
   63    HA   ILE  11           HA       ILE  11   1.555  -3.249  -0.805
   64    HB   ILE  11           HB       ILE  11   1.644  -0.905   1.098
   65   HG12  ILE  11          1HG1      ILE  11   3.866  -1.869   0.739
   66   HG13  ILE  11          2HG1      ILE  11   3.267  -2.242   2.365
   67   HG21  ILE  11          1HG2      ILE  11   1.100  -3.089   2.603
   68   HG22  ILE  11          2HG2      ILE  11  -0.124  -1.996   1.957
   69   HG23  ILE  11          3HG2      ILE  11   0.255  -3.494   1.109
   70   HD11  ILE  11          3HD1      ILE  11   4.189  -4.034   0.385
   71   HD12  ILE  11          1HD1      ILE  11   3.599  -4.393   2.008
   72   HD13  ILE  11          2HD1      ILE  11   2.474  -4.351   0.649
   73    H    CYS  12           H        CYS  12  -0.570  -3.527  -1.118
   74    HA   CYS  12           HA       CYS  12  -2.138  -1.189  -1.944
   75    HB2  CYS  12           1HB      CYS  12  -2.195  -4.095  -2.604
   76    HB3  CYS  12           2HB      CYS  12  -3.731  -3.227  -2.626
   77    H    LEU  13           H        LEU  13  -3.759  -0.444  -0.738
   78    HA   LEU  13           HA       LEU  13  -4.672  -2.095   1.525
   79    HB2  LEU  13           1HB      LEU  13  -3.961   0.765   1.275
   80    HB3  LEU  13           2HB      LEU  13  -5.399   0.400   2.245
   81    HG   LEU  13           HG       LEU  13  -2.624  -0.681   2.735
   82   HD11  LEU  13          1HD1      LEU  13  -3.132   1.794   3.196
   83   HD12  LEU  13          2HD1      LEU  13  -2.425   0.831   4.493
   84   HD13  LEU  13          3HD1      LEU  13  -4.150   1.193   4.505
   85   HD21  LEU  13          3HD2      LEU  13  -5.287  -1.228   3.960
   86   HD22  LEU  13          1HD2      LEU  13  -3.848  -1.248   4.978
   87   HD23  LEU  13          2HD2      LEU  13  -3.964  -2.336   3.595
   88    H    ARG  14           H        ARG  14  -6.860  -2.207   1.981
   89    HA   ARG  14           HA       ARG  14  -8.608  -1.484  -0.247
   90    HB2  ARG  14           1HB      ARG  14  -9.128  -3.250   2.157
   91    HB3  ARG  14           2HB      ARG  14 -10.225  -3.016   0.788
   92    HG2  ARG  14           1HG      ARG  14  -7.500  -4.314   0.717
   93    HG3  ARG  14           2HG      ARG  14  -9.074  -5.110   0.540
   94    HD2  ARG  14           1HD      ARG  14  -7.944  -3.024  -1.341
   95    HD3  ARG  14           2HD      ARG  14  -7.957  -4.771  -1.624
   96    HE   ARG  14           HE       ARG  14 -10.120  -2.970  -2.024
   97   HH11  ARG  14          1HH1      ARG  14  -9.359  -6.227  -1.057
   98   HH12  ARG  14          2HH1      ARG  14 -10.887  -6.871  -1.559
   99   HH21  ARG  14          1HH2      ARG  14 -12.135  -3.807  -2.689
  100   HH22  ARG  14          2HH2      ARG  14 -12.464  -5.495  -2.488
  101    H    ASP  15           H        ASP  15  -7.616   0.473   1.739
  102    HA   ASP  15           HA       ASP  15 -10.222   1.576   2.464
  103    HB2  ASP  15           1HB      ASP  15  -7.927   1.182   4.399
  104    HB3  ASP  15           2HB      ASP  15  -9.303   2.250   4.711
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.108   2.315   0.892
    2    HA2  GLY   1           2HA      GLY   1  -7.443   5.073   0.986
    3    HA3  GLY   1           3HA      GLY   1  -6.071   4.102   1.500
    4    H    HIS   2           H        HIS   2  -4.820   3.140  -0.005
    5    HA   HIS   2           HA       HIS   2  -5.694   2.460  -2.614
    6    HB2  HIS   2           1HB      HIS   2  -5.125   5.172  -2.305
    7    HB3  HIS   2           2HB      HIS   2  -3.667   4.504  -3.043
    8    HD1  HIS   2           1HD      HIS   2  -5.898   6.390  -4.420
    9    HD2  HIS   2           2HD      HIS   2  -5.334   2.315  -4.996
   10    HE1  HIS   2           1HE      HIS   2  -6.896   5.886  -6.673
   11    H    CYS   3           H        CYS   3  -3.360   2.557  -4.039
   12    HA   CYS   3           HA       CYS   3  -1.649   0.765  -2.464
   13    HB2  CYS   3           1HB      CYS   3  -1.645   1.149  -5.465
   14    HB3  CYS   3           2HB      CYS   3  -0.899  -0.164  -4.549
   15    H    ILE   4           H        ILE   4   0.004   1.787  -1.542
   16    HA   ILE   4           HA       ILE   4   1.561   3.667  -3.192
   17    HB   ILE   4           HB       ILE   4   2.150   4.670  -0.825
   18   HG12  ILE   4          1HG1      ILE   4   0.189   4.718   0.658
   19   HG13  ILE   4          2HG1      ILE   4  -0.649   3.590  -0.419
   20   HG21  ILE   4          1HG2      ILE   4   0.143   5.272  -2.840
   21   HG22  ILE   4          2HG2      ILE   4  -0.243   5.960  -1.264
   22   HG23  ILE   4          3HG2      ILE   4   1.297   6.337  -2.037
   23   HD11  ILE   4          3HD1      ILE   4   0.683   2.816   1.765
   24   HD12  ILE   4          1HD1      ILE   4   0.478   1.799   0.340
   25   HD13  ILE   4          2HD1      ILE   4   1.977   2.701   0.571
   26    HA   PRO   5           HA       PRO   5   5.157   1.364  -2.183
   27    HB2  PRO   5           1HB      PRO   5   7.053   3.324  -1.926
   28    HB3  PRO   5           2HB      PRO   5   6.349   2.848  -3.471
   29    HG2  PRO   5           1HG      PRO   5   5.619   5.137  -1.674
   30    HG3  PRO   5           2HG      PRO   5   5.844   5.118  -3.463
   31    HD2  PRO   5           1HD      PRO   5   3.395   5.081  -2.294
   32    HD3  PRO   5           2HD      PRO   5   3.740   4.244  -3.816
   33    H    THR   6           H        THR   6   6.493   0.692  -0.494
   34    HA   THR   6           HA       THR   6   6.394   2.171   2.025
   35    HB   THR   6           HB       THR   6   5.601   0.381   3.341
   36    HG1  THR   6           1HG      THR   6   5.144  -1.700   2.279
   37   HG21  THR   6          3HG2      THR   6   3.400  -0.085   2.459
   38   HG22  THR   6          1HG2      THR   6   3.934   0.296   0.823
   39   HG23  THR   6          2HG2      THR   6   3.848   1.569   2.041
   40    H    THR   7           H        THR   7   7.725   0.797   3.728
   41    HA   THR   7           HA       THR   7  10.377   0.804   2.914
   42    HB   THR   7           HB       THR   7  10.662  -0.780   4.994
   43    HG1  THR   7           1HG      THR   7   8.895  -1.030   6.209
   44   HG21  THR   7          3HG2      THR   7  11.216   1.626   4.908
   45   HG22  THR   7          1HG2      THR   7  10.545   1.147   6.465
   46   HG23  THR   7          2HG2      THR   7   9.540   2.007   5.300
   47    H    SER   8           H        SER   8   8.019  -1.790   2.870
   48    HA   SER   8           HA       SER   8  10.031  -3.737   2.059
   49    HB2  SER   8           1HB      SER   8   8.071  -5.330   2.058
   50    HB3  SER   8           2HB      SER   8   8.417  -4.572   3.623
   51    HG   SER   8           HG       SER   8   6.126  -4.593   2.489
   52    H    GLY   9           H        GLY   9   7.629  -1.678   0.686
   53    HA2  GLY   9           2HA      GLY   9   8.284  -1.488  -1.832
   54    HA3  GLY   9           3HA      GLY   9   7.683  -3.139  -1.857
   55    HA   PRO  10           HA       PRO  10   4.172  -0.248  -2.813
   56    HB2  PRO  10           1HB      PRO  10   3.331  -1.598  -5.044
   57    HB3  PRO  10           2HB      PRO  10   4.575  -0.349  -5.072
   58    HG2  PRO  10           1HG      PRO  10   4.877  -3.332  -4.978
   59    HG3  PRO  10           2HG      PRO  10   5.746  -2.131  -6.002
   60    HD2  PRO  10           1HD      PRO  10   6.845  -3.225  -3.775
   61    HD3  PRO  10           2HD      PRO  10   7.180  -1.564  -4.290
   62    H    ILE  11           H        ILE  11   2.594  -0.680  -1.397
   63    HA   ILE  11           HA       ILE  11   1.407  -3.379  -1.415
   64    HB   ILE  11           HB       ILE  11   1.522  -1.439   0.898
   65   HG12  ILE  11          1HG1      ILE  11   3.700  -2.464   0.384
   66   HG13  ILE  11          2HG1      ILE  11   3.047  -3.050   1.925
   67   HG21  ILE  11          1HG2      ILE  11   0.799  -3.756   2.013
   68   HG22  ILE  11          2HG2      ILE  11  -0.367  -2.575   1.420
   69   HG23  ILE  11          3HG2      ILE  11   0.062  -3.967   0.425
   70   HD11  ILE  11          3HD1      ILE  11   2.247  -5.086   0.767
   71   HD12  ILE  11          1HD1      ILE  11   3.054  -4.522  -0.697
   72   HD13  ILE  11          2HD1      ILE  11   4.000  -4.897   0.744
   73    H    CYS  12           H        CYS  12  -0.779  -3.574  -1.576
   74    HA   CYS  12           HA       CYS  12  -2.245  -1.129  -2.244
   75    HB2  CYS  12           1HB      CYS  12  -2.581  -4.035  -2.887
   76    HB3  CYS  12           2HB      CYS  12  -3.996  -2.983  -2.932
   77    H    LEU  13           H        LEU  13  -3.030  -0.223  -0.428
   78    HA   LEU  13           HA       LEU  13  -4.063  -1.814   1.744
   79    HB2  LEU  13           1HB      LEU  13  -3.607   1.078   1.209
   80    HB3  LEU  13           2HB      LEU  13  -4.819   0.642   2.427
   81    HG   LEU  13           HG       LEU  13  -1.908  -0.152   2.482
   82   HD11  LEU  13          1HD1      LEU  13  -2.295   2.242   2.893
   83   HD12  LEU  13          2HD1      LEU  13  -1.715   1.399   4.329
   84   HD13  LEU  13          3HD1      LEU  13  -3.420   1.824   4.185
   85   HD21  LEU  13          3HD2      LEU  13  -2.564  -1.747   3.885
   86   HD22  LEU  13          1HD2      LEU  13  -4.230  -1.168   3.861
   87   HD23  LEU  13          2HD2      LEU  13  -3.071  -0.473   4.994
   88    H    ARG  14           H        ARG  14  -6.176  -2.086   2.344
   89    HA   ARG  14           HA       ARG  14  -8.159  -1.520   0.274
   90    HB2  ARG  14           1HB      ARG  14  -8.301  -3.269   2.742
   91    HB3  ARG  14           2HB      ARG  14  -9.590  -3.097   1.542
   92    HG2  ARG  14           1HG      ARG  14  -6.846  -4.271   1.094
   93    HG3  ARG  14           2HG      ARG  14  -8.393  -5.134   1.128
   94    HD2  ARG  14           1HD      ARG  14  -9.140  -3.805  -0.838
   95    HD3  ARG  14           2HD      ARG  14  -7.534  -3.067  -0.894
   96    HE   ARG  14           HE       ARG  14  -7.235  -5.854  -0.947
   97   HH11  ARG  14          1HH1      ARG  14  -8.440  -3.260  -2.932
   98   HH12  ARG  14          2HH1      ARG  14  -8.102  -4.073  -4.426
   99   HH21  ARG  14          1HH2      ARG  14  -6.786  -6.933  -2.905
  100   HH22  ARG  14          2HH2      ARG  14  -7.163  -6.163  -4.408
  101    H    ASP  15           H        ASP  15  -7.079   0.494   2.216
  102    HA   ASP  15           HA       ASP  15  -9.680   1.508   3.086
  103    HB2  ASP  15           1HB      ASP  15  -7.250   1.273   4.882
  104    HB3  ASP  15           2HB      ASP  15  -8.702   2.202   5.277
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -6.770   2.371   2.893
    2    HA2  GLY   1           2HA      GLY   1  -6.953   4.968   1.764
    3    HA3  GLY   1           3HA      GLY   1  -5.468   4.089   2.095
    4    H    HIS   2           H        HIS   2  -4.396   3.097   0.452
    5    HA   HIS   2           HA       HIS   2  -5.567   2.444  -2.047
    6    HB2  HIS   2           1HB      HIS   2  -4.997   5.150  -1.778
    7    HB3  HIS   2           2HB      HIS   2  -3.601   4.511  -2.653
    8    HD1  HIS   2           1HD      HIS   2  -5.842   6.402  -3.883
    9    HD2  HIS   2           2HD      HIS   2  -5.540   2.289  -4.391
   10    HE1  HIS   2           1HE      HIS   2  -7.068   5.897  -6.019
   11    H    CYS   3           H        CYS   3  -3.411   2.568  -3.729
   12    HA   CYS   3           HA       CYS   3  -1.531   0.755  -2.389
   13    HB2  CYS   3           1HB      CYS   3  -1.993   1.188  -5.350
   14    HB3  CYS   3           2HB      CYS   3  -0.968  -0.051  -4.627
   15    H    ILE   4           H        ILE   4   0.196   1.793  -1.627
   16    HA   ILE   4           HA       ILE   4   1.633   3.594  -3.451
   17    HB   ILE   4           HB       ILE   4   2.315   4.784  -1.195
   18   HG12  ILE   4          1HG1      ILE   4   0.413   4.963   0.349
   19   HG13  ILE   4          2HG1      ILE   4  -0.474   3.764  -0.606
   20   HG21  ILE   4          1HG2      ILE   4  -0.168   5.969  -1.708
   21   HG22  ILE   4          2HG2      ILE   4   1.393   6.405  -2.402
   22   HG23  ILE   4          3HG2      ILE   4   0.348   5.257  -3.237
   23   HD11  ILE   4          3HD1      ILE   4   0.670   2.023   0.241
   24   HD12  ILE   4          1HD1      ILE   4   2.180   2.926   0.355
   25   HD13  ILE   4          2HD1      ILE   4   0.929   3.141   1.580
   26    HA   PRO   5           HA       PRO   5   5.272   1.379  -2.404
   27    HB2  PRO   5           1HB      PRO   5   7.172   3.352  -2.386
   28    HB3  PRO   5           2HB      PRO   5   6.408   2.750  -3.856
   29    HG2  PRO   5           1HG      PRO   5   5.745   5.179  -2.227
   30    HG3  PRO   5           2HG      PRO   5   5.898   5.014  -4.015
   31    HD2  PRO   5           1HD      PRO   5   3.498   5.076  -2.749
   32    HD3  PRO   5           2HD      PRO   5   3.784   4.116  -4.211
   33    H    THR   6           H        THR   6   6.588   0.789  -0.697
   34    HA   THR   6           HA       THR   6   6.681   2.498   1.670
   35    HB   THR   6           HB       THR   6   5.843   0.889   3.183
   36    HG1  THR   6           1HG      THR   6   5.887  -1.197   2.772
   37   HG21  THR   6          3HG2      THR   6   4.086   2.064   1.948
   38   HG22  THR   6          1HG2      THR   6   3.574   0.433   2.380
   39   HG23  THR   6          2HG2      THR   6   4.083   0.789   0.729
   40    H    THR   7           H        THR   7   7.883   0.939   3.463
   41    HA   THR   7           HA       THR   7  10.541   0.781   2.561
   42    HB   THR   7           HB       THR   7  10.867  -0.563   4.747
   43    HG1  THR   7           1HG      THR   7   8.308   0.459   5.379
   44   HG21  THR   7          3HG2      THR   7  10.895   2.077   4.215
   45   HG22  THR   7          1HG2      THR   7  11.229   1.407   5.811
   46   HG23  THR   7          2HG2      THR   7   9.622   2.028   5.434
   47    H    SER   8           H        SER   8   8.019  -1.646   2.896
   48    HA   SER   8           HA       SER   8   9.853  -3.778   2.126
   49    HB2  SER   8           1HB      SER   8   8.139  -5.311   2.707
   50    HB3  SER   8           2HB      SER   8   8.060  -4.031   3.930
   51    HG   SER   8           HG       SER   8   6.036  -3.950   3.357
   52    H    GLY   9           H        GLY   9   8.164  -1.468   0.538
   53    HA2  GLY   9           2HA      GLY   9   8.376  -1.587  -1.921
   54    HA3  GLY   9           3HA      GLY   9   7.745  -3.223  -1.804
   55    HA   PRO  10           HA       PRO  10   4.226  -0.390  -2.835
   56    HB2  PRO  10           1HB      PRO  10   3.208  -1.982  -4.817
   57    HB3  PRO  10           2HB      PRO  10   4.474  -0.787  -5.084
   58    HG2  PRO  10           1HG      PRO  10   4.712  -3.741  -4.630
   59    HG3  PRO  10           2HG      PRO  10   5.539  -2.706  -5.853
   60    HD2  PRO  10           1HD      PRO  10   6.761  -3.546  -3.580
   61    HD3  PRO  10           2HD      PRO  10   7.099  -1.973  -4.323
   62    H    ILE  11           H        ILE  11   2.742  -0.593  -1.276
   63    HA   ILE  11           HA       ILE  11   1.556  -3.248  -0.806
   64    HB   ILE  11           HB       ILE  11   1.688  -0.902   1.092
   65   HG12  ILE  11          1HG1      ILE  11   3.871  -1.949   0.763
   66   HG13  ILE  11          2HG1      ILE  11   3.241  -2.308   2.380
   67   HG21  ILE  11          1HG2      ILE  11   0.049  -3.272   1.043
   68   HG22  ILE  11          2HG2      ILE  11   1.068  -3.237   2.481
   69   HG23  ILE  11          3HG2      ILE  11  -0.011  -1.886   2.133
   70   HD11  ILE  11          3HD1      ILE  11   4.065  -4.120   0.342
   71   HD12  ILE  11          1HD1      ILE  11   3.567  -4.458   1.999
   72   HD13  ILE  11          2HD1      ILE  11   2.362  -4.391   0.712
   73    H    CYS  12           H        CYS  12  -0.569  -3.527  -1.117
   74    HA   CYS  12           HA       CYS  12  -2.138  -1.189  -1.944
   75    HB2  CYS  12           1HB      CYS  12  -2.194  -4.095  -2.603
   76    HB3  CYS  12           2HB      CYS  12  -3.731  -3.227  -2.624
   77    H    LEU  13           H        LEU  13  -3.760  -0.444  -0.738
   78    HA   LEU  13           HA       LEU  13  -4.672  -2.093   1.527
   79    HB2  LEU  13           1HB      LEU  13  -3.962   0.767   1.274
   80    HB3  LEU  13           2HB      LEU  13  -5.398   0.401   2.246
   81    HG   LEU  13           HG       LEU  13  -2.622  -0.678   2.734
   82   HD11  LEU  13          1HD1      LEU  13  -3.787   1.811   3.396
   83   HD12  LEU  13          2HD1      LEU  13  -2.234   1.155   3.913
   84   HD13  LEU  13          3HD1      LEU  13  -3.681   0.862   4.879
   85   HD21  LEU  13          3HD2      LEU  13  -3.821  -2.324   3.710
   86   HD22  LEU  13          1HD2      LEU  13  -5.283  -1.343   3.821
   87   HD23  LEU  13          2HD2      LEU  13  -3.990  -1.136   5.004
   88    H    ARG  14           H        ARG  14  -6.859  -2.206   1.982
   89    HA   ARG  14           HA       ARG  14  -8.608  -1.485  -0.246
   90    HB2  ARG  14           1HB      ARG  14  -9.126  -3.251   2.159
   91    HB3  ARG  14           2HB      ARG  14 -10.224  -3.018   0.790
   92    HG2  ARG  14           1HG      ARG  14  -7.498  -4.315   0.718
   93    HG3  ARG  14           2HG      ARG  14  -9.071  -5.112   0.544
   94    HD2  ARG  14           1HD      ARG  14  -7.942  -3.025  -1.339
   95    HD3  ARG  14           2HD      ARG  14  -7.954  -4.772  -1.620
   96    HE   ARG  14           HE       ARG  14 -10.578  -4.051  -1.136
   97   HH11  ARG  14          1HH1      ARG  14  -8.102  -3.304  -3.467
   98   HH12  ARG  14          2HH1      ARG  14  -9.223  -3.001  -4.754
   99   HH21  ARG  14          1HH2      ARG  14 -12.063  -3.653  -2.822
  100   HH22  ARG  14          2HH2      ARG  14 -11.475  -3.199  -4.385
  101    H    ASP  15           H        ASP  15  -7.617   0.473   1.736
  102    HA   ASP  15           HA       ASP  15 -10.223   1.576   2.463
  103    HB2  ASP  15           1HB      ASP  15  -9.444   0.412   4.480
  104    HB3  ASP  15           2HB      ASP  15  -7.929   1.322   4.420
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.120   2.315   0.891
    2    HA2  GLY   1           2HA      GLY   1  -7.452   5.077   0.974
    3    HA3  GLY   1           3HA      GLY   1  -6.086   4.099   1.494
    4    H    HIS   2           H        HIS   2  -4.831   3.140  -0.005
    5    HA   HIS   2           HA       HIS   2  -5.698   2.447  -2.611
    6    HB2  HIS   2           1HB      HIS   2  -5.142   5.161  -2.318
    7    HB3  HIS   2           2HB      HIS   2  -3.674   4.495  -3.039
    8    HD1  HIS   2           1HD      HIS   2  -3.690   4.285  -5.503
    9    HD2  HIS   2           2HD      HIS   2  -7.535   4.371  -3.932
   10    HE1  HIS   2           1HE      HIS   2  -5.229   4.290  -7.492
   11    H    CYS   3           H        CYS   3  -3.360   2.541  -4.032
   12    HA   CYS   3           HA       CYS   3  -1.651   0.758  -2.447
   13    HB2  CYS   3           1HB      CYS   3  -1.623   1.128  -5.448
   14    HB3  CYS   3           2HB      CYS   3  -0.903  -0.188  -4.517
   15    H    ILE   4           H        ILE   4   0.003   1.783  -1.527
   16    HA   ILE   4           HA       ILE   4   1.554   3.665  -3.178
   17    HB   ILE   4           HB       ILE   4   2.146   4.666  -0.810
   18   HG12  ILE   4          1HG1      ILE   4   0.187   4.710   0.675
   19   HG13  ILE   4          2HG1      ILE   4  -0.650   3.580  -0.402
   20   HG21  ILE   4          1HG2      ILE   4  -0.481   5.665  -1.536
   21   HG22  ILE   4          2HG2      ILE   4   1.091   6.460  -1.609
   22   HG23  ILE   4          3HG2      ILE   4   0.563   5.429  -2.938
   23   HD11  ILE   4          3HD1      ILE   4   0.689   2.806   1.779
   24   HD12  ILE   4          1HD1      ILE   4   0.482   1.790   0.353
   25   HD13  ILE   4          2HD1      ILE   4   1.979   2.694   0.583
   26    HA   PRO   5           HA       PRO   5   5.157   1.367  -2.180
   27    HB2  PRO   5           1HB      PRO   5   7.049   3.332  -1.922
   28    HB3  PRO   5           2HB      PRO   5   6.344   2.854  -3.466
   29    HG2  PRO   5           1HG      PRO   5   5.613   5.140  -1.666
   30    HG3  PRO   5           2HG      PRO   5   5.834   5.124  -3.455
   31    HD2  PRO   5           1HD      PRO   5   3.387   5.082  -2.282
   32    HD3  PRO   5           2HD      PRO   5   3.732   4.246  -3.806
   33    H    THR   6           H        THR   6   6.498   0.695  -0.494
   34    HA   THR   6           HA       THR   6   6.403   2.171   2.027
   35    HB   THR   6           HB       THR   6   5.611   0.380   3.342
   36    HG1  THR   6           1HG      THR   6   5.989  -1.614   2.762
   37   HG21  THR   6          3HG2      THR   6   3.917   1.595   1.848
   38   HG22  THR   6          1HG2      THR   6   3.405   0.083   2.597
   39   HG23  THR   6          2HG2      THR   6   3.882   0.110   0.899
   40    H    THR   7           H        THR   7   7.735   0.789   3.725
   41    HA   THR   7           HA       THR   7  10.386   0.798   2.908
   42    HB   THR   7           HB       THR   7  10.690  -0.774   4.982
   43    HG1  THR   7           1HG      THR   7   8.733  -1.483   5.518
   44   HG21  THR   7          3HG2      THR   7  11.372   1.271   5.609
   45   HG22  THR   7          1HG2      THR   7   9.777   1.427   6.344
   46   HG23  THR   7          2HG2      THR   7  10.071   2.072   4.729
   47    H    SER   8           H        SER   8   8.029  -1.799   2.868
   48    HA   SER   8           HA       SER   8  10.039  -3.742   2.047
   49    HB2  SER   8           1HB      SER   8   7.879  -5.230   1.926
   50    HB3  SER   8           2HB      SER   8   8.549  -4.773   3.503
   51    HG   SER   8           HG       SER   8   6.795  -3.702   3.908
   52    H    GLY   9           H        GLY   9   7.639  -1.676   0.682
   53    HA2  GLY   9           2HA      GLY   9   8.286  -1.481  -1.836
   54    HA3  GLY   9           3HA      GLY   9   7.688  -3.133  -1.865
   55    HA   PRO  10           HA       PRO  10   4.171  -0.244  -2.809
   56    HB2  PRO  10           1HB      PRO  10   3.328  -1.593  -5.039
   57    HB3  PRO  10           2HB      PRO  10   4.571  -0.343  -5.070
   58    HG2  PRO  10           1HG      PRO  10   4.875  -3.324  -4.978
   59    HG3  PRO  10           2HG      PRO  10   5.741  -2.122  -6.004
   60    HD2  PRO  10           1HD      PRO  10   6.845  -3.218  -3.779
   61    HD3  PRO  10           2HD      PRO  10   7.179  -1.555  -4.294
   62    H    ILE  11           H        ILE  11   2.599  -0.681  -1.390
   63    HA   ILE  11           HA       ILE  11   1.415  -3.380  -1.407
   64    HB   ILE  11           HB       ILE  11   2.575  -2.785   0.718
   65   HG12  ILE  11          1HG1      ILE  11  -0.411  -2.967   1.130
   66   HG13  ILE  11          2HG1      ILE  11   0.546  -4.327   0.515
   67   HG21  ILE  11          1HG2      ILE  11   0.351  -0.818   1.180
   68   HG22  ILE  11          2HG2      ILE  11   1.816  -1.065   2.129
   69   HG23  ILE  11          3HG2      ILE  11   1.916  -0.334   0.528
   70   HD11  ILE  11          3HD1      ILE  11   1.613  -4.672   2.514
   71   HD12  ILE  11          1HD1      ILE  11   1.372  -3.011   3.055
   72   HD13  ILE  11          2HD1      ILE  11   0.020  -4.144   3.055
   73    H    CYS  12           H        CYS  12  -0.768  -3.580  -1.577
   74    HA   CYS  12           HA       CYS  12  -2.240  -1.140  -2.246
   75    HB2  CYS  12           1HB      CYS  12  -2.561  -4.047  -2.881
   76    HB3  CYS  12           2HB      CYS  12  -3.991  -3.014  -2.907
   77    H    LEU  13           H        LEU  13  -3.046  -0.220  -0.450
   78    HA   LEU  13           HA       LEU  13  -4.068  -1.801   1.738
   79    HB2  LEU  13           1HB      LEU  13  -3.606   1.089   1.193
   80    HB3  LEU  13           2HB      LEU  13  -4.817   0.658   2.414
   81    HG   LEU  13           HG       LEU  13  -1.906  -0.140   2.465
   82   HD11  LEU  13          1HD1      LEU  13  -2.107   2.202   2.899
   83   HD12  LEU  13          2HD1      LEU  13  -1.841   1.380   4.436
   84   HD13  LEU  13          3HD1      LEU  13  -3.457   1.934   4.001
   85   HD21  LEU  13          3HD2      LEU  13  -2.627  -1.763   3.816
   86   HD22  LEU  13          1HD2      LEU  13  -4.249  -1.078   3.914
   87   HD23  LEU  13          2HD2      LEU  13  -2.975  -0.484   4.980
   88    H    ARG  14           H        ARG  14  -6.179  -2.079   2.331
   89    HA   ARG  14           HA       ARG  14  -8.163  -1.501   0.266
   90    HB2  ARG  14           1HB      ARG  14  -8.331  -3.252   2.731
   91    HB3  ARG  14           2HB      ARG  14  -9.588  -3.095   1.496
   92    HG2  ARG  14           1HG      ARG  14  -6.824  -4.250   1.128
   93    HG3  ARG  14           2HG      ARG  14  -8.364  -5.126   1.127
   94    HD2  ARG  14           1HD      ARG  14  -7.533  -3.015  -0.879
   95    HD3  ARG  14           2HD      ARG  14  -7.527  -4.764  -1.147
   96    HE   ARG  14           HE       ARG  14 -10.101  -3.927  -0.345
   97   HH11  ARG  14          1HH1      ARG  14  -7.920  -3.815  -3.055
   98   HH12  ARG  14          2HH1      ARG  14  -9.185  -3.716  -4.235
   99   HH21  ARG  14          1HH2      ARG  14 -11.775  -3.797  -1.889
  100   HH22  ARG  14          2HH2      ARG  14 -11.377  -3.705  -3.571
  101    H    ASP  15           H        ASP  15  -7.085   0.508   2.207
  102    HA   ASP  15           HA       ASP  15  -9.685   1.503   3.104
  103    HB2  ASP  15           1HB      ASP  15  -8.233   0.291   4.952
  104    HB3  ASP  15           2HB      ASP  15  -7.367   1.833   4.963
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.153   2.308   0.874
    2    HA2  GLY   1           2HA      GLY   1  -7.448   5.069   1.072
    3    HA3  GLY   1           3HA      GLY   1  -6.124   4.030   1.581
    4    H    HIS   2           H        HIS   2  -4.841   3.142   0.069
    5    HA   HIS   2           HA       HIS   2  -5.659   2.553  -2.578
    6    HB2  HIS   2           1HB      HIS   2  -4.332   4.227  -3.786
    7    HB3  HIS   2           2HB      HIS   2  -5.612   4.985  -2.832
    8    HD1  HIS   2           1HD      HIS   2  -3.644   6.971  -3.424
    9    HD2  HIS   2           2HD      HIS   2  -2.999   4.296  -0.309
   10    HE1  HIS   2           1HE      HIS   2  -1.931   8.065  -1.941
   11    H    CYS   3           H        CYS   3  -3.354   2.586  -3.973
   12    HA   CYS   3           HA       CYS   3  -1.639   0.812  -2.383
   13    HB2  CYS   3           1HB      CYS   3  -1.670   1.141  -5.390
   14    HB3  CYS   3           2HB      CYS   3  -0.910  -0.153  -4.461
   15    H    ILE   4           H        ILE   4   0.063   1.796  -1.520
   16    HA   ILE   4           HA       ILE   4   1.600   3.655  -3.209
   17    HB   ILE   4           HB       ILE   4   2.229   4.685  -0.863
   18   HG12  ILE   4          1HG1      ILE   4   0.288   4.775   0.642
   19   HG13  ILE   4          2HG1      ILE   4  -0.576   3.642  -0.411
   20   HG21  ILE   4          1HG2      ILE   4   1.287   5.945  -2.696
   21   HG22  ILE   4          2HG2      ILE   4  -0.316   5.297  -2.355
   22   HG23  ILE   4          3HG2      ILE   4   0.462   6.376  -1.198
   23   HD11  ILE   4          3HD1      ILE   4   2.052   2.736   0.560
   24   HD12  ILE   4          1HD1      ILE   4   0.777   2.883   1.769
   25   HD13  ILE   4          2HD1      ILE   4   0.542   1.849   0.360
   26    HA   PRO   5           HA       PRO   5   5.191   1.337  -2.217
   27    HB2  PRO   5           1HB      PRO   5   7.106   3.286  -2.016
   28    HB3  PRO   5           2HB      PRO   5   6.377   2.790  -3.544
   29    HG2  PRO   5           1HG      PRO   5   5.690   5.112  -1.771
   30    HG3  PRO   5           2HG      PRO   5   5.891   5.065  -3.563
   31    HD2  PRO   5           1HD      PRO   5   3.457   5.067  -2.359
   32    HD3  PRO   5           2HD      PRO   5   3.775   4.204  -3.874
   33    H    THR   6           H        THR   6   6.558   0.688  -0.540
   34    HA   THR   6           HA       THR   6   6.499   2.201   1.958
   35    HB   THR   6           HB       THR   6   5.713   0.437   3.312
   36    HG1  THR   6           1HG      THR   6   6.037  -1.577   2.764
   37   HG21  THR   6          3HG2      THR   6   4.008   1.631   1.812
   38   HG22  THR   6          1HG2      THR   6   3.498   0.135   2.594
   39   HG23  THR   6          2HG2      THR   6   3.958   0.128   0.891
   40    H    THR   7           H        THR   7   7.846   0.840   3.662
   41    HA   THR   7           HA       THR   7  10.488   0.818   2.806
   42    HB   THR   7           HB       THR   7  10.821  -0.700   4.909
   43    HG1  THR   7           1HG      THR   7   8.995  -1.320   5.767
   44   HG21  THR   7          3HG2      THR   7   9.997   2.147   4.718
   45   HG22  THR   7          1HG2      THR   7  11.512   1.444   5.282
   46   HG23  THR   7          2HG2      THR   7  10.091   1.433   6.327
   47    H    SER   8           H        SER   8   8.111  -1.756   2.845
   48    HA   SER   8           HA       SER   8  10.097  -3.734   2.043
   49    HB2  SER   8           1HB      SER   8   8.119  -5.310   2.100
   50    HB3  SER   8           2HB      SER   8   8.504  -4.532   3.646
   51    HG   SER   8           HG       SER   8   6.283  -4.416   3.261
   52    H    GLY   9           H        GLY   9   7.700  -1.675   0.666
   53    HA2  GLY   9           2HA      GLY   9   8.313  -1.543  -1.865
   54    HA3  GLY   9           3HA      GLY   9   7.697  -3.189  -1.849
   55    HA   PRO  10           HA       PRO  10   4.196  -0.286  -2.809
   56    HB2  PRO  10           1HB      PRO  10   3.306  -1.680  -4.992
   57    HB3  PRO  10           2HB      PRO  10   4.561  -0.445  -5.073
   58    HG2  PRO  10           1HG      PRO  10   4.834  -3.427  -4.914
   59    HG3  PRO  10           2HG      PRO  10   5.699  -2.259  -5.979
   60    HD2  PRO  10           1HD      PRO  10   6.824  -3.311  -3.745
   61    HD3  PRO  10           2HD      PRO  10   7.167  -1.666  -4.305
   62    H    ILE  11           H        ILE  11   2.642  -0.672  -1.355
   63    HA   ILE  11           HA       ILE  11   1.449  -3.366  -1.265
   64    HB   ILE  11           HB       ILE  11   2.604  -2.664   0.830
   65   HG12  ILE  11          1HG1      ILE  11  -0.404  -2.951   1.053
   66   HG13  ILE  11          2HG1      ILE  11   0.740  -4.288   0.839
   67   HG21  ILE  11          1HG2      ILE  11   0.373  -0.676   1.163
   68   HG22  ILE  11          2HG2      ILE  11   1.805  -0.892   2.170
   69   HG23  ILE  11          3HG2      ILE  11   1.963  -0.233   0.541
   70   HD11  ILE  11          3HD1      ILE  11   1.823  -3.353   3.013
   71   HD12  ILE  11          1HD1      ILE  11   0.241  -2.611   3.246
   72   HD13  ILE  11          2HD1      ILE  11   0.379  -4.363   3.098
   73    H    CYS  12           H        CYS  12  -0.740  -3.578  -1.399
   74    HA   CYS  12           HA       CYS  12  -2.223  -1.161  -2.144
   75    HB2  CYS  12           1HB      CYS  12  -2.443  -4.055  -2.824
   76    HB3  CYS  12           2HB      CYS  12  -3.931  -3.105  -2.803
   77    H    LEU  13           H        LEU  13  -3.224  -0.244  -0.472
   78    HA   LEU  13           HA       LEU  13  -4.242  -1.869   1.715
   79    HB2  LEU  13           1HB      LEU  13  -3.707   1.021   1.255
   80    HB3  LEU  13           2HB      LEU  13  -4.969   0.592   2.425
   81    HG   LEU  13           HG       LEU  13  -2.080  -0.274   2.559
   82   HD11  LEU  13          1HD1      LEU  13  -1.968   1.222   4.494
   83   HD12  LEU  13          2HD1      LEU  13  -3.622   1.748   4.180
   84   HD13  LEU  13          3HD1      LEU  13  -2.348   2.099   3.012
   85   HD21  LEU  13          3HD2      LEU  13  -3.042  -1.958   3.725
   86   HD22  LEU  13          1HD2      LEU  13  -4.515  -1.044   4.048
   87   HD23  LEU  13          2HD2      LEU  13  -3.064  -0.743   5.004
   88    H    ARG  14           H        ARG  14  -6.371  -2.130   2.240
   89    HA   ARG  14           HA       ARG  14  -8.288  -1.465   0.137
   90    HB2  ARG  14           1HB      ARG  14  -8.531  -3.284   2.546
   91    HB3  ARG  14           2HB      ARG  14  -9.777  -3.057   1.309
   92    HG2  ARG  14           1HG      ARG  14  -7.037  -4.265   0.921
   93    HG3  ARG  14           2HG      ARG  14  -8.600  -5.100   0.872
   94    HD2  ARG  14           1HD      ARG  14  -9.251  -3.694  -1.077
   95    HD3  ARG  14           2HD      ARG  14  -7.627  -2.993  -1.052
   96    HE   ARG  14           HE       ARG  14  -6.850  -4.868  -2.095
   97   HH11  ARG  14          1HH1      ARG  14  -9.928  -5.591  -0.639
   98   HH12  ARG  14          2HH1      ARG  14 -10.031  -7.174  -1.334
   99   HH21  ARG  14          1HH2      ARG  14  -6.975  -6.950  -3.016
  100   HH22  ARG  14          2HH2      ARG  14  -8.351  -7.948  -2.685
  101    H    ASP  15           H        ASP  15  -7.228   0.467   2.172
  102    HA   ASP  15           HA       ASP  15  -9.838   1.481   3.024
  103    HB2  ASP  15           1HB      ASP  15  -8.280   0.225   4.848
  104    HB3  ASP  15           2HB      ASP  15  -7.645   1.871   4.976
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -6.793   2.276   2.872
    2    HA2  GLY   1           2HA      GLY   1  -6.912   4.930   1.855
    3    HA3  GLY   1           3HA      GLY   1  -5.451   4.005   2.164
    4    H    HIS   2           H        HIS   2  -4.380   3.072   0.491
    5    HA   HIS   2           HA       HIS   2  -5.541   2.520  -2.036
    6    HB2  HIS   2           1HB      HIS   2  -4.409   4.218  -3.383
    7    HB3  HIS   2           2HB      HIS   2  -5.518   4.967  -2.231
    8    HD1  HIS   2           1HD      HIS   2  -3.492   6.841  -3.214
    9    HD2  HIS   2           2HD      HIS   2  -2.708   4.310  -0.014
   10    HE1  HIS   2           1HE      HIS   2  -1.599   7.915  -1.955
   11    H    CYS   3           H        CYS   3  -3.412   2.624  -3.713
   12    HA   CYS   3           HA       CYS   3  -1.527   0.792  -2.408
   13    HB2  CYS   3           1HB      CYS   3  -2.061   1.249  -5.354
   14    HB3  CYS   3           2HB      CYS   3  -0.982   0.025  -4.678
   15    H    ILE   4           H        ILE   4   0.222   1.809  -1.665
   16    HA   ILE   4           HA       ILE   4   1.656   3.599  -3.499
   17    HB   ILE   4           HB       ILE   4   2.348   4.803  -1.253
   18   HG12  ILE   4          1HG1      ILE   4   0.451   5.008   0.291
   19   HG13  ILE   4          2HG1      ILE   4  -0.449   3.812  -0.656
   20   HG21  ILE   4          1HG2      ILE   4   1.378   5.944  -3.134
   21   HG22  ILE   4          2HG2      ILE   4  -0.217   5.296  -2.754
   22   HG23  ILE   4          3HG2      ILE   4   0.546   6.456  -1.665
   23   HD11  ILE   4          3HD1      ILE   4   2.198   2.957   0.313
   24   HD12  ILE   4          1HD1      ILE   4   0.948   3.192   1.535
   25   HD13  ILE   4          2HD1      ILE   4   0.679   2.066   0.205
   26    HA   PRO   5           HA       PRO   5   5.284   1.370  -2.437
   27    HB2  PRO   5           1HB      PRO   5   7.195   3.331  -2.440
   28    HB3  PRO   5           2HB      PRO   5   6.426   2.721  -3.903
   29    HG2  PRO   5           1HG      PRO   5   5.781   5.170  -2.296
   30    HG3  PRO   5           2HG      PRO   5   5.929   4.985  -4.082
   31    HD2  PRO   5           1HD      PRO   5   3.532   5.076  -2.813
   32    HD3  PRO   5           2HD      PRO   5   3.809   4.099  -4.266
   33    H    THR   6           H        THR   6   6.597   0.786  -0.727
   34    HA   THR   6           HA       THR   6   6.701   2.515   1.625
   35    HB   THR   6           HB       THR   6   5.849   0.934   3.151
   36    HG1  THR   6           1HG      THR   6   5.698  -1.186   2.731
   37   HG21  THR   6          3HG2      THR   6   4.069   0.668   0.728
   38   HG22  THR   6          1HG2      THR   6   4.129   2.093   1.763
   39   HG23  THR   6          2HG2      THR   6   3.589   0.548   2.420
   40    H    THR   7           H        THR   7   7.899   0.965   3.429
   41    HA   THR   7           HA       THR   7  10.555   0.784   2.517
   42    HB   THR   7           HB       THR   7  10.887  -0.523   4.723
   43    HG1  THR   7           1HG      THR   7   9.002  -1.159   5.484
   44   HG21  THR   7          3HG2      THR   7  11.586   1.634   4.944
   45   HG22  THR   7          1HG2      THR   7  10.174   1.712   5.996
   46   HG23  THR   7          2HG2      THR   7  10.071   2.304   4.338
   47    H    SER   8           H        SER   8   8.021  -1.621   2.904
   48    HA   SER   8           HA       SER   8   9.838  -3.776   2.160
   49    HB2  SER   8           1HB      SER   8   8.116  -5.290   2.772
   50    HB3  SER   8           2HB      SER   8   8.056  -3.992   3.978
   51    HG   SER   8           HG       SER   8   5.981  -4.623   3.065
   52    H    GLY   9           H        GLY   9   8.155  -1.484   0.543
   53    HA2  GLY   9           2HA      GLY   9   8.358  -1.651  -1.916
   54    HA3  GLY   9           3HA      GLY   9   7.705  -3.275  -1.765
   55    HA   PRO  10           HA       PRO  10   4.218  -0.419  -2.833
   56    HB2  PRO  10           1HB      PRO  10   3.163  -2.043  -4.770
   57    HB3  PRO  10           2HB      PRO  10   4.444  -0.871  -5.074
   58    HG2  PRO  10           1HG      PRO  10   4.646  -3.818  -4.554
   59    HG3  PRO  10           2HG      PRO  10   5.477  -2.822  -5.806
   60    HD2  PRO  10           1HD      PRO  10   6.704  -3.627  -3.522
   61    HD3  PRO  10           2HD      PRO  10   7.058  -2.076  -4.303
   62    H    ILE  11           H        ILE  11   2.743  -0.567  -1.258
   63    HA   ILE  11           HA       ILE  11   1.542  -3.197  -0.697
   64    HB   ILE  11           HB       ILE  11   1.666  -0.770   1.098
   65   HG12  ILE  11          1HG1      ILE  11   3.848  -1.842   0.822
   66   HG13  ILE  11          2HG1      ILE  11   3.210  -2.120   2.452
   67   HG21  ILE  11          1HG2      ILE  11  -0.294  -1.876   1.697
   68   HG22  ILE  11          2HG2      ILE  11   0.398  -3.468   1.394
   69   HG23  ILE  11          3HG2      ILE  11   0.907  -2.540   2.805
   70   HD11  ILE  11          3HD1      ILE  11   3.633  -4.270   2.148
   71   HD12  ILE  11          1HD1      ILE  11   2.302  -4.293   0.991
   72   HD13  ILE  11          2HD1      ILE  11   3.954  -4.031   0.430
   73    H    CYS  12           H        CYS  12  -0.564  -3.496  -1.068
   74    HA   CYS  12           HA       CYS  12  -2.148  -1.176  -1.924
   75    HB2  CYS  12           1HB      CYS  12  -2.138  -4.073  -2.621
   76    HB3  CYS  12           2HB      CYS  12  -3.690  -3.233  -2.664
   77    H    LEU  13           H        LEU  13  -3.697  -0.421  -0.648
   78    HA   LEU  13           HA       LEU  13  -4.685  -2.145   1.526
   79    HB2  LEU  13           1HB      LEU  13  -3.982   0.729   1.360
   80    HB3  LEU  13           2HB      LEU  13  -5.410   0.314   2.326
   81    HG   LEU  13           HG       LEU  13  -2.622  -0.753   2.766
   82   HD11  LEU  13          1HD1      LEU  13  -2.827   1.604   3.351
   83   HD12  LEU  13          2HD1      LEU  13  -2.665   0.605   4.795
   84   HD13  LEU  13          3HD1      LEU  13  -4.244   1.245   4.338
   85   HD21  LEU  13          3HD2      LEU  13  -3.528  -2.322   4.043
   86   HD22  LEU  13          1HD2      LEU  13  -5.133  -1.792   3.540
   87   HD23  LEU  13          2HD2      LEU  13  -4.386  -1.097   4.979
   88    H    ARG  14           H        ARG  14  -6.877  -2.272   1.935
   89    HA   ARG  14           HA       ARG  14  -8.587  -1.471  -0.295
   90    HB2  ARG  14           1HB      ARG  14  -9.144  -3.314   2.042
   91    HB3  ARG  14           2HB      ARG  14 -10.227  -3.027   0.673
   92    HG2  ARG  14           1HG      ARG  14  -7.510  -4.340   0.584
   93    HG3  ARG  14           2HG      ARG  14  -9.087  -5.115   0.356
   94    HD2  ARG  14           1HD      ARG  14  -7.907  -2.972  -1.429
   95    HD3  ARG  14           2HD      ARG  14  -7.943  -4.706  -1.778
   96    HE   ARG  14           HE       ARG  14 -10.089  -2.855  -2.106
   97   HH11  ARG  14          1HH1      ARG  14  -9.334  -6.175  -1.373
   98   HH12  ARG  14          2HH1      ARG  14 -10.851  -6.782  -1.948
   99   HH21  ARG  14          1HH2      ARG  14 -12.090  -3.644  -2.865
  100   HH22  ARG  14          2HH2      ARG  14 -12.418  -5.342  -2.797
  101    H    ASP  15           H        ASP  15  -7.660   0.495   1.627
  102    HA   ASP  15           HA       ASP  15 -10.256   1.571   2.370
  103    HB2  ASP  15           1HB      ASP  15  -8.969   0.204   4.303
  104    HB3  ASP  15           2HB      ASP  15  -8.215   1.789   4.512
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -6.918   2.145   1.229
    2    HA2  GLY   1           2HA      GLY   1  -8.131   4.699   0.639
    3    HA3  GLY   1           3HA      GLY   1  -6.437   4.807   1.096
    4    H    HIS   2           H        HIS   2  -4.995   3.193  -0.134
    5    HA   HIS   2           HA       HIS   2  -5.794   2.320  -2.709
    6    HB2  HIS   2           1HB      HIS   2  -5.377   5.036  -2.624
    7    HB3  HIS   2           2HB      HIS   2  -3.798   4.432  -3.136
    8    HD1  HIS   2           1HD      HIS   2  -3.618   4.556  -5.589
    9    HD2  HIS   2           2HD      HIS   2  -7.436   3.444  -4.385
   10    HE1  HIS   2           1HE      HIS   2  -4.907   4.173  -7.713
   11    H    CYS   3           H        CYS   3  -3.392   2.426  -4.069
   12    HA   CYS   3           HA       CYS   3  -1.722   0.720  -2.366
   13    HB2  CYS   3           1HB      CYS   3  -1.517   1.020  -5.364
   14    HB3  CYS   3           2HB      CYS   3  -0.890  -0.287  -4.357
   15    H    ILE   4           H        ILE   4  -0.082   1.736  -1.424
   16    HA   ILE   4           HA       ILE   4   1.449   3.686  -3.017
   17    HB   ILE   4           HB       ILE   4   2.021   4.608  -0.610
   18   HG12  ILE   4          1HG1      ILE   4  -0.845   3.954  -0.100
   19   HG13  ILE   4          2HG1      ILE   4   0.364   2.702   0.232
   20   HG21  ILE   4          1HG2      ILE   4   0.207   5.319  -2.681
   21   HG22  ILE   4          2HG2      ILE   4  -0.522   5.735  -1.132
   22   HG23  ILE   4          3HG2      ILE   4   1.067   6.372  -1.557
   23   HD11  ILE   4          3HD1      ILE   4   1.575   4.393   1.646
   24   HD12  ILE   4          1HD1      ILE   4   0.151   5.421   1.484
   25   HD13  ILE   4          2HD1      ILE   4   0.016   3.844   2.263
   26    HA   PRO   5           HA       PRO   5   5.096   1.425  -2.101
   27    HB2  PRO   5           1HB      PRO   5   6.949   3.415  -1.769
   28    HB3  PRO   5           2HB      PRO   5   6.253   2.984  -3.331
   29    HG2  PRO   5           1HG      PRO   5   5.477   5.184  -1.446
   30    HG3  PRO   5           2HG      PRO   5   5.699   5.240  -3.234
   31    HD2  PRO   5           1HD      PRO   5   3.253   5.105  -2.064
   32    HD3  PRO   5           2HD      PRO   5   3.615   4.336  -3.620
   33    H    THR   6           H        THR   6   6.450   0.718  -0.441
   34    HA   THR   6           HA       THR   6   6.326   2.095   2.133
   35    HB   THR   6           HB       THR   6   5.564   0.246   3.380
   36    HG1  THR   6           1HG      THR   6   5.434  -1.816   2.561
   37   HG21  THR   6          3HG2      THR   6   3.368  -0.058   2.625
   38   HG22  THR   6          1HG2      THR   6   3.844   0.009   0.928
   39   HG23  THR   6          2HG2      THR   6   3.855   1.477   1.905
   40    H    THR   7           H        THR   7   7.690   0.695   3.780
   41    HA   THR   7           HA       THR   7  10.339   0.775   2.963
   42    HB   THR   7           HB       THR   7  10.689  -0.843   4.982
   43    HG1  THR   7           1HG      THR   7   8.747  -1.653   5.456
   44   HG21  THR   7          3HG2      THR   7  10.099   1.971   4.778
   45   HG22  THR   7          1HG2      THR   7  11.251   1.144   5.826
   46   HG23  THR   7          2HG2      THR   7   9.574   1.337   6.339
   47    H    SER   8           H        SER   8   8.029  -1.860   2.832
   48    HA   SER   8           HA       SER   8  10.074  -3.738   1.944
   49    HB2  SER   8           1HB      SER   8   8.188  -5.384   1.922
   50    HB3  SER   8           2HB      SER   8   8.444  -4.617   3.499
   51    HG   SER   8           HG       SER   8   6.488  -3.892   3.395
   52    H    GLY   9           H        GLY   9   7.618  -1.683   0.656
   53    HA2  GLY   9           2HA      GLY   9   8.268  -1.387  -1.858
   54    HA3  GLY   9           3HA      GLY   9   7.694  -3.046  -1.941
   55    HA   PRO  10           HA       PRO  10   4.133  -0.176  -2.779
   56    HB2  PRO  10           1HB      PRO  10   3.311  -1.450  -5.060
   57    HB3  PRO  10           2HB      PRO  10   4.534  -0.182  -5.042
   58    HG2  PRO  10           1HG      PRO  10   4.885  -3.161  -5.065
   59    HG3  PRO  10           2HG      PRO  10   5.732  -1.905  -6.043
   60    HD2  PRO  10           1HD      PRO  10   6.853  -3.068  -3.861
   61    HD3  PRO  10           2HD      PRO  10   7.161  -1.383  -4.311
   62    H    ILE  11           H        ILE  11   2.569  -0.692  -1.377
   63    HA   ILE  11           HA       ILE  11   1.422  -3.405  -1.506
   64    HB   ILE  11           HB       ILE  11   2.587  -2.885   0.639
   65   HG12  ILE  11          1HG1      ILE  11  -0.350  -3.093   1.218
   66   HG13  ILE  11          2HG1      ILE  11   0.453  -4.372   0.292
   67   HG21  ILE  11          1HG2      ILE  11   1.905  -0.445   0.577
   68   HG22  ILE  11          2HG2      ILE  11   0.332  -0.970   1.173
   69   HG23  ILE  11          3HG2      ILE  11   1.780  -1.253   2.139
   70   HD11  ILE  11          3HD1      ILE  11   2.109  -3.954   2.482
   71   HD12  ILE  11          1HD1      ILE  11   0.469  -3.889   3.129
   72   HD13  ILE  11          2HD1      ILE  11   1.005  -5.304   2.221
   73    H    CYS  12           H        CYS  12  -0.773  -3.626  -1.615
   74    HA   CYS  12           HA       CYS  12  -2.269  -1.188  -2.225
   75    HB2  CYS  12           1HB      CYS  12  -2.633  -4.099  -2.849
   76    HB3  CYS  12           2HB      CYS  12  -4.028  -3.022  -2.899
   77    H    LEU  13           H        LEU  13  -2.972  -0.299  -0.358
   78    HA   LEU  13           HA       LEU  13  -4.089  -1.970   1.740
   79    HB2  LEU  13           1HB      LEU  13  -3.452   0.956   1.479
   80    HB3  LEU  13           2HB      LEU  13  -4.461   0.351   2.805
   81    HG   LEU  13           HG       LEU  13  -1.603  -0.446   2.254
   82   HD11  LEU  13          1HD1      LEU  13  -1.596   0.662   4.699
   83   HD12  LEU  13          2HD1      LEU  13  -2.868   1.616   3.937
   84   HD13  LEU  13          3HD1      LEU  13  -1.259   1.562   3.220
   85   HD21  LEU  13          3HD2      LEU  13  -1.870  -1.468   4.574
   86   HD22  LEU  13          1HD2      LEU  13  -2.621  -2.322   3.225
   87   HD23  LEU  13          2HD2      LEU  13  -3.609  -1.336   4.305
   88    H    ARG  14           H        ARG  14  -6.197  -2.287   2.101
   89    HA   ARG  14           HA       ARG  14  -8.118  -1.411   0.184
   90    HB2  ARG  14           1HB      ARG  14  -8.476  -2.815   2.841
   91    HB3  ARG  14           2HB      ARG  14  -9.748  -2.590   1.632
   92    HG2  ARG  14           1HG      ARG  14  -7.226  -4.218   1.327
   93    HG3  ARG  14           2HG      ARG  14  -8.888  -4.818   1.454
   94    HD2  ARG  14           1HD      ARG  14  -9.459  -3.666  -0.657
   95    HD3  ARG  14           2HD      ARG  14  -7.779  -3.128  -0.783
   96    HE   ARG  14           HE       ARG  14  -7.756  -5.903  -0.531
   97   HH11  ARG  14          1HH1      ARG  14  -8.845  -3.482  -2.783
   98   HH12  ARG  14          2HH1      ARG  14  -8.656  -4.502  -4.171
   99   HH21  ARG  14          1HH2      ARG  14  -7.504  -7.255  -2.350
  100   HH22  ARG  14          2HH2      ARG  14  -7.894  -6.648  -3.924
  101    H    ASP  15           H        ASP  15  -6.781   0.083   2.852
  102    HA   ASP  15           HA       ASP  15  -9.047   1.439   3.902
  103    HB2  ASP  15           1HB      ASP  15  -7.077   1.253   5.265
  104    HB3  ASP  15           2HB      ASP  15  -6.090   2.047   4.031
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -6.688   2.196   2.429
    2    HA2  GLY   1           2HA      GLY   1  -7.264   4.908   1.438
    3    HA3  GLY   1           3HA      GLY   1  -5.667   4.288   1.831
    4    H    HIS   2           H        HIS   2  -4.427   3.652   0.196
    5    HA   HIS   2           HA       HIS   2  -5.617   2.559  -2.220
    6    HB2  HIS   2           1HB      HIS   2  -3.747   4.932  -2.387
    7    HB3  HIS   2           2HB      HIS   2  -4.581   4.129  -3.722
    8    HD1  HIS   2           1HD      HIS   2  -7.000   4.777  -4.192
    9    HD2  HIS   2           2HD      HIS   2  -5.421   6.625  -0.822
   10    HE1  HIS   2           1HE      HIS   2  -8.663   6.553  -3.557
   11    H    CYS   3           H        CYS   3  -3.395   2.602  -3.853
   12    HA   CYS   3           HA       CYS   3  -1.593   0.816  -2.378
   13    HB2  CYS   3           1HB      CYS   3  -1.932   1.161  -5.370
   14    HB3  CYS   3           2HB      CYS   3  -0.949  -0.065  -4.568
   15    H    ILE   4           H        ILE   4   0.123   1.848  -1.585
   16    HA   ILE   4           HA       ILE   4   1.622   3.620  -3.392
   17    HB   ILE   4           HB       ILE   4   2.305   4.772  -1.118
   18   HG12  ILE   4          1HG1      ILE   4   0.398   4.954   0.420
   19   HG13  ILE   4          2HG1      ILE   4  -0.496   3.772  -0.553
   20   HG21  ILE   4          1HG2      ILE   4   1.350   5.967  -2.967
   21   HG22  ILE   4          2HG2      ILE   4  -0.247   5.304  -2.629
   22   HG23  ILE   4          3HG2      ILE   4   0.496   6.435  -1.498
   23   HD11  ILE   4          3HD1      ILE   4   2.147   2.904   0.413
   24   HD12  ILE   4          1HD1      ILE   4   0.893   3.116   1.633
   25   HD13  ILE   4          2HD1      ILE   4   0.630   2.013   0.282
   26    HA   PRO   5           HA       PRO   5   5.219   1.333  -2.347
   27    HB2  PRO   5           1HB      PRO   5   7.150   3.278  -2.296
   28    HB3  PRO   5           2HB      PRO   5   6.385   2.703  -3.777
   29    HG2  PRO   5           1HG      PRO   5   5.750   5.125  -2.123
   30    HG3  PRO   5           2HG      PRO   5   5.912   4.976  -3.912
   31    HD2  PRO   5           1HD      PRO   5   3.505   5.062  -2.660
   32    HD3  PRO   5           2HD      PRO   5   3.785   4.115  -4.131
   33    H    THR   6           H        THR   6   6.605   0.762  -0.662
   34    HA   THR   6           HA       THR   6   6.632   2.418   1.743
   35    HB   THR   6           HB       THR   6   5.835   0.756   3.216
   36    HG1  THR   6           1HG      THR   6   6.146  -1.282   2.777
   37   HG21  THR   6          3HG2      THR   6   3.594   0.429   2.542
   38   HG22  THR   6          1HG2      THR   6   4.030   0.399   0.834
   39   HG23  THR   6          2HG2      THR   6   4.113   1.911   1.739
   40    H    THR   7           H        THR   7   7.879   0.861   3.506
   41    HA   THR   7           HA       THR   7  10.543   0.801   2.601
   42    HB   THR   7           HB       THR   7  10.903  -0.569   4.771
   43    HG1  THR   7           1HG      THR   7   9.071  -1.232   5.600
   44   HG21  THR   7          3HG2      THR   7  10.899   2.070   4.272
   45   HG22  THR   7          1HG2      THR   7  11.213   1.395   5.871
   46   HG23  THR   7          2HG2      THR   7   9.605   1.998   5.468
   47    H    SER   8           H        SER   8   8.085  -1.692   2.873
   48    HA   SER   8           HA       SER   8   9.981  -3.769   2.103
   49    HB2  SER   8           1HB      SER   8   7.936  -5.267   2.315
   50    HB3  SER   8           2HB      SER   8   8.465  -4.462   3.804
   51    HG   SER   8           HG       SER   8   6.188  -4.313   3.463
   52    H    GLY   9           H        GLY   9   8.013  -1.534   0.591
   53    HA2  GLY   9           2HA      GLY   9   8.367  -1.618  -1.905
   54    HA3  GLY   9           3HA      GLY   9   7.723  -3.249  -1.796
   55    HA   PRO  10           HA       PRO  10   4.236  -0.372  -2.826
   56    HB2  PRO  10           1HB      PRO  10   3.225  -1.926  -4.843
   57    HB3  PRO  10           2HB      PRO  10   4.501  -0.735  -5.079
   58    HG2  PRO  10           1HG      PRO  10   4.718  -3.698  -4.671
   59    HG3  PRO  10           2HG      PRO  10   5.561  -2.648  -5.869
   60    HD2  PRO  10           1HD      PRO  10   6.758  -3.531  -3.599
   61    HD3  PRO  10           2HD      PRO  10   7.111  -1.950  -4.313
   62    H    ILE  11           H        ILE  11   2.737  -0.592  -1.282
   63    HA   ILE  11           HA       ILE  11   1.542  -3.249  -0.850
   64    HB   ILE  11           HB       ILE  11   1.643  -0.905   1.052
   65   HG12  ILE  11          1HG1      ILE  11   3.083  -3.570   1.093
   66   HG13  ILE  11          2HG1      ILE  11   3.825  -1.998   0.756
   67   HG21  ILE  11          1HG2      ILE  11   0.566  -3.696   1.432
   68   HG22  ILE  11          2HG2      ILE  11   0.711  -2.473   2.693
   69   HG23  ILE  11          3HG2      ILE  11  -0.385  -2.213   1.335
   70   HD11  ILE  11          3HD1      ILE  11   4.383  -2.245   2.949
   71   HD12  ILE  11          1HD1      ILE  11   2.854  -1.382   3.112
   72   HD13  ILE  11          2HD1      ILE  11   2.910  -3.131   3.341
   73    H    CYS  12           H        CYS  12  -0.614  -3.526  -1.060
   74    HA   CYS  12           HA       CYS  12  -2.167  -1.195  -1.955
   75    HB2  CYS  12           1HB      CYS  12  -2.207  -4.099  -2.622
   76    HB3  CYS  12           2HB      CYS  12  -3.745  -3.239  -2.655
   77    H    LEU  13           H        LEU  13  -3.603  -0.374  -0.598
   78    HA   LEU  13           HA       LEU  13  -4.601  -2.062   1.595
   79    HB2  LEU  13           1HB      LEU  13  -3.905   0.809   1.346
   80    HB3  LEU  13           2HB      LEU  13  -5.311   0.412   2.351
   81    HG   LEU  13           HG       LEU  13  -2.509  -0.636   2.755
   82   HD11  LEU  13          1HD1      LEU  13  -3.986   1.697   3.791
   83   HD12  LEU  13          2HD1      LEU  13  -2.253   1.446   3.584
   84   HD13  LEU  13          3HD1      LEU  13  -3.084   0.752   4.976
   85   HD21  LEU  13          3HD2      LEU  13  -3.949  -2.304   3.553
   86   HD22  LEU  13          1HD2      LEU  13  -5.107  -1.129   4.178
   87   HD23  LEU  13          2HD2      LEU  13  -3.550  -1.342   4.978
   88    H    ARG  14           H        ARG  14  -6.777  -2.230   2.010
   89    HA   ARG  14           HA       ARG  14  -8.529  -1.447  -0.193
   90    HB2  ARG  14           1HB      ARG  14  -9.030  -3.282   2.163
   91    HB3  ARG  14           2HB      ARG  14 -10.142  -3.009   0.813
   92    HG2  ARG  14           1HG      ARG  14  -7.418  -4.302   0.679
   93    HG3  ARG  14           2HG      ARG  14  -8.994  -5.090   0.485
   94    HD2  ARG  14           1HD      ARG  14  -7.861  -2.947  -1.332
   95    HD3  ARG  14           2HD      ARG  14  -7.893  -4.683  -1.672
   96    HE   ARG  14           HE       ARG  14 -10.506  -3.968  -1.152
   97   HH11  ARG  14          1HH1      ARG  14  -8.038  -3.104  -3.452
   98   HH12  ARG  14          2HH1      ARG  14  -9.163  -2.730  -4.715
   99   HH21  ARG  14          1HH2      ARG  14 -11.997  -3.478  -2.808
  100   HH22  ARG  14          2HH2      ARG  14 -11.413  -2.942  -4.348
  101    H    ASP  15           H        ASP  15  -7.530   0.422   1.914
  102    HA   ASP  15           HA       ASP  15 -10.158   1.459   2.707
  103    HB2  ASP  15           1HB      ASP  15  -8.577   0.254   4.546
  104    HB3  ASP  15           2HB      ASP  15  -7.956   1.907   4.636
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -6.705   2.370   2.850
    2    HA2  GLY   1           2HA      GLY   1  -6.880   4.977   1.743
    3    HA3  GLY   1           3HA      GLY   1  -5.399   4.079   2.040
    4    H    HIS   2           H        HIS   2  -4.368   3.087   0.370
    5    HA   HIS   2           HA       HIS   2  -5.589   2.472  -2.114
    6    HB2  HIS   2           1HB      HIS   2  -5.068   5.156  -1.866
    7    HB3  HIS   2           2HB      HIS   2  -3.603   4.569  -2.657
    8    HD1  HIS   2           1HD      HIS   2  -3.750   4.765  -5.104
    9    HD2  HIS   2           2HD      HIS   2  -7.449   3.915  -3.413
   10    HE1  HIS   2           1HE      HIS   2  -5.358   4.638  -7.034
   11    H    CYS   3           H        CYS   3  -3.424   2.645  -3.821
   12    HA   CYS   3           HA       CYS   3  -1.577   0.748  -2.556
   13    HB2  CYS   3           1HB      CYS   3  -1.952   1.328  -5.503
   14    HB3  CYS   3           2HB      CYS   3  -1.038  -0.005  -4.795
   15    H    ILE   4           H        ILE   4   0.161   1.723  -1.735
   16    HA   ILE   4           HA       ILE   4   1.664   3.547  -3.476
   17    HB   ILE   4           HB       ILE   4   2.289   4.701  -1.182
   18   HG12  ILE   4          1HG1      ILE   4   0.344   4.896   0.298
   19   HG13  ILE   4          2HG1      ILE   4  -0.538   3.731  -0.704
   20   HG21  ILE   4          1HG2      ILE   4   0.560   6.396  -1.636
   21   HG22  ILE   4          2HG2      ILE   4   1.378   5.858  -3.102
   22   HG23  ILE   4          3HG2      ILE   4  -0.239   5.263  -2.726
   23   HD11  ILE   4          3HD1      ILE   4   2.063   2.823   0.339
   24   HD12  ILE   4          1HD1      ILE   4   0.772   3.046   1.520
   25   HD13  ILE   4          2HD1      ILE   4   0.541   1.952   0.155
   26    HA   PRO   5           HA       PRO   5   5.233   1.263  -2.332
   27    HB2  PRO   5           1HB      PRO   5   7.162   3.205  -2.233
   28    HB3  PRO   5           2HB      PRO   5   6.437   2.630  -3.733
   29    HG2  PRO   5           1HG      PRO   5   5.759   5.055  -2.101
   30    HG3  PRO   5           2HG      PRO   5   5.967   4.902  -3.886
   31    HD2  PRO   5           1HD      PRO   5   3.528   4.992  -2.699
   32    HD3  PRO   5           2HD      PRO   5   3.847   4.041  -4.159
   33    H    THR   6           H        THR   6   6.533   0.667  -0.601
   34    HA   THR   6           HA       THR   6   6.512   2.337   1.799
   35    HB   THR   6           HB       THR   6   5.657   0.692   3.250
   36    HG1  THR   6           1HG      THR   6   5.336  -1.256   1.254
   37   HG21  THR   6          3HG2      THR   6   3.963   0.353   0.780
   38   HG22  THR   6          1HG2      THR   6   3.968   1.821   1.756
   39   HG23  THR   6          2HG2      THR   6   3.443   0.293   2.463
   40    H    THR   7           H        THR   7   7.814   1.056   3.591
   41    HA   THR   7           HA       THR   7  10.456   0.918   2.783
   42    HB   THR   7           HB       THR   7  10.716  -0.538   4.942
   43    HG1  THR   7           1HG      THR   7   8.215   0.557   5.606
   44   HG21  THR   7          3HG2      THR   7  10.488   1.488   6.335
   45   HG22  THR   7          1HG2      THR   7   9.641   2.284   5.010
   46   HG23  THR   7          2HG2      THR   7  11.329   1.810   4.820
   47    H    SER   8           H        SER   8   8.029  -1.616   2.912
   48    HA   SER   8           HA       SER   8   9.985  -3.651   2.178
   49    HB2  SER   8           1HB      SER   8   7.769  -5.080   2.171
   50    HB3  SER   8           2HB      SER   8   8.511  -4.583   3.703
   51    HG   SER   8           HG       SER   8   6.133  -3.780   2.553
   52    H    GLY   9           H        GLY   9   7.572  -1.637   0.741
   53    HA2  GLY   9           2HA      GLY   9   8.190  -1.600  -1.800
   54    HA3  GLY   9           3HA      GLY   9   7.554  -3.236  -1.718
   55    HA   PRO  10           HA       PRO  10   4.087  -0.318  -2.766
   56    HB2  PRO  10           1HB      PRO  10   3.180  -1.758  -4.912
   57    HB3  PRO  10           2HB      PRO  10   4.449  -0.542  -5.023
   58    HG2  PRO  10           1HG      PRO  10   4.689  -3.521  -4.783
   59    HG3  PRO  10           2HG      PRO  10   5.566  -2.391  -5.882
   60    HD2  PRO  10           1HD      PRO  10   6.682  -3.395  -3.621
   61    HD3  PRO  10           2HD      PRO  10   7.042  -1.769  -4.225
   62    H    ILE  11           H        ILE  11   2.530  -0.646  -1.301
   63    HA   ILE  11           HA       ILE  11   1.311  -3.324  -1.134
   64    HB   ILE  11           HB       ILE  11   1.344  -1.222   1.031
   65   HG12  ILE  11          1HG1      ILE  11   2.974  -3.763   0.779
   66   HG13  ILE  11          2HG1      ILE  11   3.602  -2.118   0.584
   67   HG21  ILE  11          1HG2      ILE  11  -0.206  -3.573   0.645
   68   HG22  ILE  11          2HG2      ILE  11   0.881  -3.838   2.007
   69   HG23  ILE  11          3HG2      ILE  11  -0.216  -2.458   2.010
   70   HD11  ILE  11          3HD1      ILE  11   4.211  -2.529   2.739
   71   HD12  ILE  11          1HD1      ILE  11   2.628  -1.793   2.997
   72   HD13  ILE  11          2HD1      ILE  11   2.807  -3.547   3.060
   73    H    CYS  12           H        CYS  12  -0.804  -3.519  -1.546
   74    HA   CYS  12           HA       CYS  12  -2.289  -1.100  -2.238
   75    HB2  CYS  12           1HB      CYS  12  -2.487  -3.992  -2.934
   76    HB3  CYS  12           2HB      CYS  12  -3.981  -3.050  -2.938
   77    H    LEU  13           H        LEU  13  -3.138  -0.204  -0.439
   78    HA   LEU  13           HA       LEU  13  -4.222  -1.789   1.700
   79    HB2  LEU  13           1HB      LEU  13  -3.914   1.127   1.126
   80    HB3  LEU  13           2HB      LEU  13  -5.065   0.610   2.371
   81    HG   LEU  13           HG       LEU  13  -2.781   1.285   3.190
   82   HD11  LEU  13          1HD1      LEU  13  -3.714   0.173   4.891
   83   HD12  LEU  13          2HD1      LEU  13  -2.645  -1.146   4.416
   84   HD13  LEU  13          3HD1      LEU  13  -4.315  -1.117   3.848
   85   HD21  LEU  13          3HD2      LEU  13  -1.958  -1.375   2.039
   86   HD22  LEU  13          1HD2      LEU  13  -0.951  -0.239   2.936
   87   HD23  LEU  13          2HD2      LEU  13  -1.543   0.186   1.329
   88    H    ARG  14           H        ARG  14  -6.333  -2.180   2.190
   89    HA   ARG  14           HA       ARG  14  -8.258  -1.694   0.051
   90    HB2  ARG  14           1HB      ARG  14  -8.505  -3.385   2.552
   91    HB3  ARG  14           2HB      ARG  14  -9.661  -3.331   1.213
   92    HG2  ARG  14           1HG      ARG  14  -6.833  -4.381   1.138
   93    HG3  ARG  14           2HG      ARG  14  -8.337  -5.307   0.996
   94    HD2  ARG  14           1HD      ARG  14  -8.872  -4.063  -1.089
   95    HD3  ARG  14           2HD      ARG  14  -7.304  -3.255  -0.957
   96    HE   ARG  14           HE       ARG  14  -6.294  -5.149  -1.754
   97   HH11  ARG  14          1HH1      ARG  14  -9.534  -5.922  -0.738
   98   HH12  ARG  14          2HH1      ARG  14  -9.492  -7.528  -1.384
   99   HH21  ARG  14          1HH2      ARG  14  -6.229  -7.262  -2.609
  100   HH22  ARG  14          2HH2      ARG  14  -7.612  -8.290  -2.448
  101    H    ASP  15           H        ASP  15  -7.555   0.593   1.476
  102    HA   ASP  15           HA       ASP  15 -10.126   1.504   2.311
  103    HB2  ASP  15           1HB      ASP  15  -9.055   0.250   4.339
  104    HB3  ASP  15           2HB      ASP  15  -8.062   1.706   4.477
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -6.665   2.105   1.584
    2    HA2  GLY   1           2HA      GLY   1  -7.709   4.808   1.098
    3    HA3  GLY   1           3HA      GLY   1  -6.008   4.615   1.496
    4    H    HIS   2           H        HIS   2  -4.741   3.171   0.054
    5    HA   HIS   2           HA       HIS   2  -5.710   2.475  -2.518
    6    HB2  HIS   2           1HB      HIS   2  -5.208   5.173  -2.288
    7    HB3  HIS   2           2HB      HIS   2  -3.690   4.558  -2.947
    8    HD1  HIS   2           1HD      HIS   2  -3.739   5.037  -5.372
    9    HD2  HIS   2           2HD      HIS   2  -7.374   3.552  -4.013
   10    HE1  HIS   2           1HE      HIS   2  -5.170   4.775  -7.425
   11    H    CYS   3           H        CYS   3  -3.408   2.584  -4.017
   12    HA   CYS   3           HA       CYS   3  -1.668   0.766  -2.507
   13    HB2  CYS   3           1HB      CYS   3  -1.817   1.201  -5.500
   14    HB3  CYS   3           2HB      CYS   3  -0.922  -0.071  -4.665
   15    H    ILE   4           H        ILE   4  -0.004   1.785  -1.596
   16    HA   ILE   4           HA       ILE   4   1.552   3.647  -3.263
   17    HB   ILE   4           HB       ILE   4   2.144   4.683  -0.910
   18   HG12  ILE   4          1HG1      ILE   4   0.181   4.768   0.567
   19   HG13  ILE   4          2HG1      ILE   4  -0.664   3.628  -0.496
   20   HG21  ILE   4          1HG2      ILE   4  -0.499   5.389  -2.156
   21   HG22  ILE   4          2HG2      ILE   4   0.664   6.458  -1.372
   22   HG23  ILE   4          3HG2      ILE   4   1.043   5.738  -2.937
   23   HD11  ILE   4          3HD1      ILE   4   1.954   2.737   0.514
   24   HD12  ILE   4          1HD1      ILE   4   0.658   2.876   1.703
   25   HD13  ILE   4          2HD1      ILE   4   0.453   1.841   0.289
   26    HA   PRO   5           HA       PRO   5   5.135   1.340  -2.213
   27    HB2  PRO   5           1HB      PRO   5   7.040   3.293  -1.986
   28    HB3  PRO   5           2HB      PRO   5   6.337   2.796  -3.523
   29    HG2  PRO   5           1HG      PRO   5   5.617   5.117  -1.764
   30    HG3  PRO   5           2HG      PRO   5   5.844   5.069  -3.553
   31    HD2  PRO   5           1HD      PRO   5   3.393   5.065  -2.386
   32    HD3  PRO   5           2HD      PRO   5   3.736   4.201  -3.895
   33    H    THR   6           H        THR   6   6.468   0.691  -0.513
   34    HA   THR   6           HA       THR   6   6.366   2.209   1.984
   35    HB   THR   6           HB       THR   6   5.571   0.440   3.324
   36    HG1  THR   6           1HG      THR   6   5.316  -1.370   1.192
   37   HG21  THR   6          3HG2      THR   6   3.373  -0.033   2.454
   38   HG22  THR   6          1HG2      THR   6   3.909   0.298   0.807
   39   HG23  THR   6          2HG2      THR   6   3.824   1.607   1.987
   40    H    THR   7           H        THR   7   7.707   0.889   3.707
   41    HA   THR   7           HA       THR   7  10.355   0.874   2.896
   42    HB   THR   7           HB       THR   7  10.660  -0.650   5.002
   43    HG1  THR   7           1HG      THR   7   8.858  -0.623   6.365
   44   HG21  THR   7          3HG2      THR   7  11.291   1.625   5.118
   45   HG22  THR   7          1HG2      THR   7  10.188   1.375   6.469
   46   HG23  THR   7          2HG2      THR   7   9.620   2.176   5.003
   47    H    SER   8           H        SER   8   7.999  -1.718   2.891
   48    HA   SER   8           HA       SER   8  10.014  -3.680   2.123
   49    HB2  SER   8           1HB      SER   8   8.030  -5.263   2.130
   50    HB3  SER   8           2HB      SER   8   8.410  -4.509   3.688
   51    HG   SER   8           HG       SER   8   6.228  -4.302   3.400
   52    H    GLY   9           H        GLY   9   7.584  -1.667   0.713
   53    HA2  GLY   9           2HA      GLY   9   8.257  -1.518  -1.811
   54    HA3  GLY   9           3HA      GLY   9   7.652  -3.168  -1.805
   55    HA   PRO  10           HA       PRO  10   4.149  -0.284  -2.821
   56    HB2  PRO  10           1HB      PRO  10   3.309  -1.672  -5.027
   57    HB3  PRO  10           2HB      PRO  10   4.556  -0.428  -5.077
   58    HG2  PRO  10           1HG      PRO  10   4.850  -3.410  -4.928
   59    HG3  PRO  10           2HG      PRO  10   5.724  -2.229  -5.972
   60    HD2  PRO  10           1HD      PRO  10   6.817  -3.285  -3.724
   61    HD3  PRO  10           2HD      PRO  10   7.158  -1.634  -4.268
   62    H    ILE  11           H        ILE  11   2.570  -0.687  -1.398
   63    HA   ILE  11           HA       ILE  11   1.380  -3.384  -1.364
   64    HB   ILE  11           HB       ILE  11   1.368  -1.408   0.917
   65   HG12  ILE  11          1HG1      ILE  11   3.651  -2.191   0.422
   66   HG13  ILE  11          2HG1      ILE  11   3.060  -2.813   1.971
   67   HG21  ILE  11          1HG2      ILE  11   0.679  -4.343   0.865
   68   HG22  ILE  11          2HG2      ILE  11   0.545  -3.247   2.240
   69   HG23  ILE  11          3HG2      ILE  11  -0.499  -3.031   0.835
   70   HD11  ILE  11          3HD1      ILE  11   2.424  -4.661  -0.126
   71   HD12  ILE  11          1HD1      ILE  11   4.147  -4.283  -0.136
   72   HD13  ILE  11          2HD1      ILE  11   3.389  -4.902   1.331
   73    H    CYS  12           H        CYS  12  -0.816  -3.584  -1.482
   74    HA   CYS  12           HA       CYS  12  -2.285  -1.138  -2.173
   75    HB2  CYS  12           1HB      CYS  12  -2.630  -4.039  -2.875
   76    HB3  CYS  12           2HB      CYS  12  -3.995  -2.928  -3.003
   77    H    LEU  13           H        LEU  13  -3.051  -0.316  -0.294
   78    HA   LEU  13           HA       LEU  13  -4.269  -2.064   1.683
   79    HB2  LEU  13           1HB      LEU  13  -3.629   0.873   1.579
   80    HB3  LEU  13           2HB      LEU  13  -4.655   0.189   2.853
   81    HG   LEU  13           HG       LEU  13  -2.734  -1.335   3.435
   82   HD11  LEU  13          1HD1      LEU  13  -1.365   0.441   1.437
   83   HD12  LEU  13          2HD1      LEU  13  -1.403  -1.321   1.498
   84   HD13  LEU  13          3HD1      LEU  13  -0.485  -0.416   2.703
   85   HD21  LEU  13          3HD2      LEU  13  -2.502   0.161   5.056
   86   HD22  LEU  13          1HD2      LEU  13  -3.158   1.428   4.019
   87   HD23  LEU  13          2HD2      LEU  13  -1.426   1.096   4.017
   88    H    ARG  14           H        ARG  14  -6.389  -2.395   1.914
   89    HA   ARG  14           HA       ARG  14  -8.216  -1.395  -0.035
   90    HB2  ARG  14           1HB      ARG  14  -8.700  -2.951   2.517
   91    HB3  ARG  14           2HB      ARG  14  -9.918  -2.642   1.271
   92    HG2  ARG  14           1HG      ARG  14  -7.391  -4.267   0.969
   93    HG3  ARG  14           2HG      ARG  14  -9.059  -4.865   0.999
   94    HD2  ARG  14           1HD      ARG  14  -9.545  -3.585  -1.060
   95    HD3  ARG  14           2HD      ARG  14  -7.858  -3.054  -1.091
   96    HE   ARG  14           HE       ARG  14  -7.757  -5.801  -1.013
   97   HH11  ARG  14          1HH1      ARG  14  -9.127  -3.387  -3.115
   98   HH12  ARG  14          2HH1      ARG  14  -8.981  -4.359  -4.541
   99   HH21  ARG  14          1HH2      ARG  14  -7.560  -7.090  -2.885
  100   HH22  ARG  14          2HH2      ARG  14  -8.091  -6.465  -4.409
  101    H    ASP  15           H        ASP  15  -6.998  -0.071   2.779
  102    HA   ASP  15           HA       ASP  15  -9.355   1.290   3.689
  103    HB2  ASP  15           1HB      ASP  15  -6.676   0.898   4.612
  104    HB3  ASP  15           2HB      ASP  15  -7.009   2.634   4.576
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -6.754   2.412   2.615
    2    HA2  GLY   1           2HA      GLY   1  -7.279   5.033   1.540
    3    HA3  GLY   1           3HA      GLY   1  -5.702   4.359   1.928
    4    H    HIS   2           H        HIS   2  -4.558   3.217   0.362
    5    HA   HIS   2           HA       HIS   2  -5.619   2.556  -2.183
    6    HB2  HIS   2           1HB      HIS   2  -4.477   4.204  -3.562
    7    HB3  HIS   2           2HB      HIS   2  -5.588   5.009  -2.447
    8    HD1  HIS   2           1HD      HIS   2  -3.082   4.340  -0.204
    9    HD2  HIS   2           2HD      HIS   2  -3.255   6.892  -3.479
   10    HE1  HIS   2           1HE      HIS   2  -1.299   6.069   0.196
   11    H    CYS   3           H        CYS   3  -3.408   2.634  -3.775
   12    HA   CYS   3           HA       CYS   3  -1.583   0.843  -2.334
   13    HB2  CYS   3           1HB      CYS   3  -1.875   1.226  -5.324
   14    HB3  CYS   3           2HB      CYS   3  -0.967  -0.046  -4.502
   15    H    ILE   4           H        ILE   4   0.249   1.711  -1.647
   16    HA   ILE   4           HA       ILE   4   1.689   3.563  -3.406
   17    HB   ILE   4           HB       ILE   4   2.364   4.711  -1.118
   18   HG12  ILE   4          1HG1      ILE   4   0.444   4.914   0.392
   19   HG13  ILE   4          2HG1      ILE   4  -0.464   3.763  -0.603
   20   HG21  ILE   4          1HG2      ILE   4   0.567   6.388  -1.530
   21   HG22  ILE   4          2HG2      ILE   4   1.469   5.926  -2.972
   22   HG23  ILE   4          3HG2      ILE   4  -0.142   5.267  -2.692
   23   HD11  ILE   4          3HD1      ILE   4   0.880   3.060   1.601
   24   HD12  ILE   4          1HD1      ILE   4   0.598   1.971   0.244
   25   HD13  ILE   4          2HD1      ILE   4   2.140   2.815   0.391
   26    HA   PRO   5           HA       PRO   5   5.290   1.293  -2.343
   27    HB2  PRO   5           1HB      PRO   5   7.215   3.242  -2.276
   28    HB3  PRO   5           2HB      PRO   5   6.459   2.668  -3.763
   29    HG2  PRO   5           1HG      PRO   5   5.809   5.084  -2.109
   30    HG3  PRO   5           2HG      PRO   5   5.979   4.940  -3.897
   31    HD2  PRO   5           1HD      PRO   5   3.565   5.015  -2.658
   32    HD3  PRO   5           2HD      PRO   5   3.858   4.072  -4.129
   33    H    THR   6           H        THR   6   6.620   0.689  -0.640
   34    HA   THR   6           HA       THR   6   6.655   2.352   1.763
   35    HB   THR   6           HB       THR   6   5.822   0.711   3.230
   36    HG1  THR   6           1HG      THR   6   6.216  -1.317   2.806
   37   HG21  THR   6          3HG2      THR   6   4.134   1.849   1.683
   38   HG22  THR   6          1HG2      THR   6   3.593   0.406   2.537
   39   HG23  THR   6          2HG2      THR   6   4.046   0.306   0.836
   40    H    THR   7           H        THR   7   7.976   1.034   3.529
   41    HA   THR   7           HA       THR   7  10.604   0.896   2.677
   42    HB   THR   7           HB       THR   7  10.870  -0.613   4.814
   43    HG1  THR   7           1HG      THR   7   9.096  -0.890   5.955
   44   HG21  THR   7          3HG2      THR   7  11.351   1.298   5.930
   45   HG22  THR   7          1HG2      THR   7   9.789   2.031   5.567
   46   HG23  THR   7          2HG2      THR   7  11.070   2.037   4.354
   47    H    SER   8           H        SER   8   8.200  -1.670   2.916
   48    HA   SER   8           HA       SER   8  10.123  -3.689   2.096
   49    HB2  SER   8           1HB      SER   8   7.874  -5.089   2.089
   50    HB3  SER   8           2HB      SER   8   8.672  -4.653   3.610
   51    HG   SER   8           HG       SER   8   7.162  -3.158   4.009
   52    H    GLY   9           H        GLY   9   7.729  -1.637   0.696
   53    HA2  GLY   9           2HA      GLY   9   8.304  -1.573  -1.845
   54    HA3  GLY   9           3HA      GLY   9   7.685  -3.217  -1.779
   55    HA   PRO  10           HA       PRO  10   4.173  -0.346  -2.778
   56    HB2  PRO  10           1HB      PRO  10   3.235  -1.825  -4.883
   57    HB3  PRO  10           2HB      PRO  10   4.494  -0.601  -5.039
   58    HG2  PRO  10           1HG      PRO  10   4.757  -3.576  -4.759
   59    HG3  PRO  10           2HG      PRO  10   5.606  -2.458  -5.890
   60    HD2  PRO  10           1HD      PRO  10   6.770  -3.422  -3.636
   61    HD3  PRO  10           2HD      PRO  10   7.109  -1.804  -4.270
   62    H    ILE  11           H        ILE  11   2.646  -0.662  -1.279
   63    HA   ILE  11           HA       ILE  11   1.462  -3.349  -1.032
   64    HB   ILE  11           HB       ILE  11   1.558  -1.166   1.054
   65   HG12  ILE  11          1HG1      ILE  11   2.998  -3.828   0.952
   66   HG13  ILE  11          2HG1      ILE  11   3.747  -2.260   0.603
   67   HG21  ILE  11          1HG2      ILE  11  -0.456  -2.540   1.205
   68   HG22  ILE  11          2HG2      ILE  11   0.535  -3.997   1.230
   69   HG23  ILE  11          3HG2      ILE  11   0.628  -2.845   2.561
   70   HD11  ILE  11          3HD1      ILE  11   2.876  -3.393   3.211
   71   HD12  ILE  11          1HD1      ILE  11   4.371  -2.561   2.781
   72   HD13  ILE  11          2HD1      ILE  11   2.878  -1.644   2.989
   73    H    CYS  12           H        CYS  12  -0.704  -3.595  -1.229
   74    HA   CYS  12           HA       CYS  12  -2.232  -1.205  -1.995
   75    HB2  CYS  12           1HB      CYS  12  -2.336  -4.085  -2.758
   76    HB3  CYS  12           2HB      CYS  12  -3.860  -3.195  -2.738
   77    H    LEU  13           H        LEU  13  -3.611  -0.398  -0.573
   78    HA   LEU  13           HA       LEU  13  -4.602  -2.135   1.582
   79    HB2  LEU  13           1HB      LEU  13  -3.950   0.761   1.376
   80    HB3  LEU  13           2HB      LEU  13  -5.279   0.288   2.449
   81    HG   LEU  13           HG       LEU  13  -2.431  -0.691   2.646
   82   HD11  LEU  13          1HD1      LEU  13  -3.968   1.216   4.403
   83   HD12  LEU  13          2HD1      LEU  13  -2.702   1.670   3.263
   84   HD13  LEU  13          3HD1      LEU  13  -2.313   0.660   4.655
   85   HD21  LEU  13          3HD2      LEU  13  -4.956  -1.419   4.041
   86   HD22  LEU  13          1HD2      LEU  13  -3.461  -1.371   4.974
   87   HD23  LEU  13          2HD2      LEU  13  -3.590  -2.431   3.570
   88    H    ARG  14           H        ARG  14  -6.771  -2.308   2.024
   89    HA   ARG  14           HA       ARG  14  -8.555  -1.463  -0.130
   90    HB2  ARG  14           1HB      ARG  14  -9.025  -3.348   2.193
   91    HB3  ARG  14           2HB      ARG  14 -10.161  -3.037   0.872
   92    HG2  ARG  14           1HG      ARG  14  -7.449  -4.347   0.657
   93    HG3  ARG  14           2HG      ARG  14  -9.035  -5.115   0.468
   94    HD2  ARG  14           1HD      ARG  14  -7.911  -2.939  -1.311
   95    HD3  ARG  14           2HD      ARG  14  -7.970  -4.666  -1.696
   96    HE   ARG  14           HE       ARG  14 -10.560  -4.014  -1.148
   97   HH11  ARG  14          1HH1      ARG  14  -8.136  -2.812  -3.337
   98   HH12  ARG  14          2HH1      ARG  14  -9.281  -2.316  -4.539
   99   HH21  ARG  14          1HH2      ARG  14 -12.078  -3.365  -2.724
  100   HH22  ARG  14          2HH2      ARG  14 -11.523  -2.631  -4.189
  101    H    ASP  15           H        ASP  15  -7.630   0.552   1.639
  102    HA   ASP  15           HA       ASP  15 -10.200   1.501   2.628
  103    HB2  ASP  15           1HB      ASP  15  -8.620   0.310   4.444
  104    HB3  ASP  15           2HB      ASP  15  -7.924   1.933   4.488
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.131   2.274   0.873
    2    HA2  GLY   1           2HA      GLY   1  -7.405   5.046   1.075
    3    HA3  GLY   1           3HA      GLY   1  -6.104   3.970   1.563
    4    H    HIS   2           H        HIS   2  -4.827   3.122   0.033
    5    HA   HIS   2           HA       HIS   2  -5.664   2.550  -2.613
    6    HB2  HIS   2           1HB      HIS   2  -4.402   4.237  -3.836
    7    HB3  HIS   2           2HB      HIS   2  -5.614   5.005  -2.806
    8    HD1  HIS   2           1HD      HIS   2  -3.286   4.246  -0.382
    9    HD2  HIS   2           2HD      HIS   2  -3.243   6.953  -3.533
   10    HE1  HIS   2           1HE      HIS   2  -1.568   5.973   0.240
   11    H    CYS   3           H        CYS   3  -3.356   2.623  -4.020
   12    HA   CYS   3           HA       CYS   3  -1.632   0.829  -2.462
   13    HB2  CYS   3           1HB      CYS   3  -1.643   1.199  -5.463
   14    HB3  CYS   3           2HB      CYS   3  -0.924  -0.124  -4.542
   15    H    ILE   4           H        ILE   4   0.115   1.747  -1.628
   16    HA   ILE   4           HA       ILE   4   1.643   3.628  -3.291
   17    HB   ILE   4           HB       ILE   4   2.239   4.676  -0.937
   18   HG12  ILE   4          1HG1      ILE   4   0.261   4.805   0.515
   19   HG13  ILE   4          2HG1      ILE   4  -0.591   3.675  -0.550
   20   HG21  ILE   4          1HG2      ILE   4   1.417   6.015  -2.705
   21   HG22  ILE   4          2HG2      ILE   4  -0.179   5.271  -2.622
   22   HG23  ILE   4          3HG2      ILE   4   0.370   6.328  -1.322
   23   HD11  ILE   4          3HD1      ILE   4   0.464   1.873   0.273
   24   HD12  ILE   4          1HD1      ILE   4   1.993   2.727   0.482
   25   HD13  ILE   4          2HD1      ILE   4   0.705   2.921   1.672
   26    HA   PRO   5           HA       PRO   5   5.220   1.324  -2.216
   27    HB2  PRO   5           1HB      PRO   5   7.131   3.274  -1.999
   28    HB3  PRO   5           2HB      PRO   5   6.428   2.767  -3.533
   29    HG2  PRO   5           1HG      PRO   5   5.712   5.102  -1.792
   30    HG3  PRO   5           2HG      PRO   5   5.942   5.041  -3.580
   31    HD2  PRO   5           1HD      PRO   5   3.489   5.053  -2.418
   32    HD3  PRO   5           2HD      PRO   5   3.832   4.177  -3.921
   33    H    THR   6           H        THR   6   6.487   0.643  -0.497
   34    HA   THR   6           HA       THR   6   6.419   2.193   1.982
   35    HB   THR   6           HB       THR   6   5.601   0.436   3.336
   36    HG1  THR   6           1HG      THR   6   5.697  -1.619   2.760
   37   HG21  THR   6          3HG2      THR   6   3.385   0.105   2.548
   38   HG22  THR   6          1HG2      THR   6   3.887   0.249   0.865
   39   HG23  THR   6          2HG2      THR   6   3.907   1.665   1.914
   40    H    THR   7           H        THR   7   7.721   0.843   3.723
   41    HA   THR   7           HA       THR   7  10.376   0.797   2.945
   42    HB   THR   7           HB       THR   7  10.627  -0.773   5.031
   43    HG1  THR   7           1HG      THR   7   8.716  -0.403   6.414
   44   HG21  THR   7          3HG2      THR   7   9.503   2.018   5.297
   45   HG22  THR   7          1HG2      THR   7  11.189   1.624   4.967
   46   HG23  THR   7          2HG2      THR   7  10.460   1.162   6.505
   47    H    SER   8           H        SER   8   7.992  -1.774   2.888
   48    HA   SER   8           HA       SER   8   9.993  -3.741   2.099
   49    HB2  SER   8           1HB      SER   8   8.425  -5.388   2.556
   50    HB3  SER   8           2HB      SER   8   7.936  -4.117   3.691
   51    HG   SER   8           HG       SER   8   6.165  -4.973   2.490
   52    H    GLY   9           H        GLY   9   7.574  -1.695   0.712
   53    HA2  GLY   9           2HA      GLY   9   8.254  -1.508  -1.807
   54    HA3  GLY   9           3HA      GLY   9   7.649  -3.158  -1.829
   55    HA   PRO  10           HA       PRO  10   4.149  -0.257  -2.807
   56    HB2  PRO  10           1HB      PRO  10   3.322  -1.601  -5.046
   57    HB3  PRO  10           2HB      PRO  10   4.568  -0.354  -5.064
   58    HG2  PRO  10           1HG      PRO  10   4.865  -3.338  -4.972
   59    HG3  PRO  10           2HG      PRO  10   5.742  -2.135  -5.989
   60    HD2  PRO  10           1HD      PRO  10   6.827  -3.235  -3.757
   61    HD3  PRO  10           2HD      PRO  10   7.167  -1.574  -4.267
   62    H    ILE  11           H        ILE  11   2.563  -0.691  -1.401
   63    HA   ILE  11           HA       ILE  11   1.359  -3.382  -1.450
   64    HB   ILE  11           HB       ILE  11   1.385  -1.504   0.912
   65   HG12  ILE  11          1HG1      ILE  11   3.082  -3.958   0.392
   66   HG13  ILE  11          2HG1      ILE  11   3.663  -2.286   0.377
   67   HG21  ILE  11          1HG2      ILE  11   0.562  -3.390   2.165
   68   HG22  ILE  11          2HG2      ILE  11  -0.491  -3.113   0.778
   69   HG23  ILE  11          3HG2      ILE  11   0.681  -4.429   0.746
   70   HD11  ILE  11          3HD1      ILE  11   2.667  -3.852   2.736
   71   HD12  ILE  11          1HD1      ILE  11   4.284  -3.206   2.460
   72   HD13  ILE  11          2HD1      ILE  11   2.938  -2.109   2.771
   73    H    CYS  12           H        CYS  12  -0.820  -3.549  -1.642
   74    HA   CYS  12           HA       CYS  12  -2.264  -1.082  -2.258
   75    HB2  CYS  12           1HB      CYS  12  -2.642  -3.978  -2.917
   76    HB3  CYS  12           2HB      CYS  12  -4.046  -2.910  -2.942
   77    H    LEU  13           H        LEU  13  -2.955  -0.191  -0.382
   78    HA   LEU  13           HA       LEU  13  -3.987  -1.758   1.786
   79    HB2  LEU  13           1HB      LEU  13  -3.650   1.153   1.203
   80    HB3  LEU  13           2HB      LEU  13  -4.757   0.658   2.498
   81    HG   LEU  13           HG       LEU  13  -2.428   1.284   3.220
   82   HD11  LEU  13          1HD1      LEU  13  -2.980  -1.559   3.951
   83   HD12  LEU  13          2HD1      LEU  13  -4.123  -0.292   4.398
   84   HD13  LEU  13          3HD1      LEU  13  -2.456  -0.218   4.970
   85   HD21  LEU  13          3HD2      LEU  13  -1.606  -1.419   2.226
   86   HD22  LEU  13          1HD2      LEU  13  -0.599  -0.075   2.766
   87   HD23  LEU  13          2HD2      LEU  13  -1.427   0.013   1.211
   88    H    ARG  14           H        ARG  14  -6.071  -2.143   2.358
   89    HA   ARG  14           HA       ARG  14  -8.098  -1.560   0.338
   90    HB2  ARG  14           1HB      ARG  14  -8.180  -3.392   2.749
   91    HB3  ARG  14           2HB      ARG  14  -9.460  -3.232   1.537
   92    HG2  ARG  14           1HG      ARG  14  -6.675  -4.313   1.112
   93    HG3  ARG  14           2HG      ARG  14  -8.203  -5.209   1.063
   94    HD2  ARG  14           1HD      ARG  14  -8.916  -3.801  -0.869
   95    HD3  ARG  14           2HD      ARG  14  -7.311  -3.059  -0.852
   96    HE   ARG  14           HE       ARG  14  -6.761  -5.704  -1.030
   97   HH11  ARG  14          1HH1      ARG  14  -8.819  -3.555  -2.838
   98   HH12  ARG  14          2HH1      ARG  14  -8.653  -4.434  -4.321
   99   HH21  ARG  14          1HH2      ARG  14  -6.534  -6.869  -2.977
  100   HH22  ARG  14          2HH2      ARG  14  -7.354  -6.320  -4.399
  101    H    ASP  15           H        ASP  15  -7.198   0.578   2.011
  102    HA   ASP  15           HA       ASP  15  -9.766   1.392   3.089
  103    HB2  ASP  15           1HB      ASP  15  -7.880   0.326   4.828
  104    HB3  ASP  15           2HB      ASP  15  -7.652   2.072   4.981
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -6.438   2.430   2.018
    2    HA2  GLY   1           2HA      GLY   1  -7.937   4.671   0.813
    3    HA3  GLY   1           3HA      GLY   1  -6.219   4.712   1.177
    4    H    HIS   2           H        HIS   2  -4.757   3.715  -0.209
    5    HA   HIS   2           HA       HIS   2  -5.776   2.380  -2.587
    6    HB2  HIS   2           1HB      HIS   2  -3.919   4.747  -2.869
    7    HB3  HIS   2           2HB      HIS   2  -4.741   3.856  -4.154
    8    HD1  HIS   2           1HD      HIS   2  -5.236   6.620  -1.744
    9    HD2  HIS   2           2HD      HIS   2  -7.517   4.425  -4.434
   10    HE1  HIS   2           1HE      HIS   2  -7.376   7.911  -2.020
   11    H    CYS   3           H        CYS   3  -3.402   2.449  -4.069
   12    HA   CYS   3           HA       CYS   3  -1.707   0.742  -2.393
   13    HB2  CYS   3           1HB      CYS   3  -1.568   1.027  -5.396
   14    HB3  CYS   3           2HB      CYS   3  -0.930  -0.281  -4.399
   15    H    ILE   4           H        ILE   4  -0.050   1.761  -1.483
   16    HA   ILE   4           HA       ILE   4   1.490   3.657  -3.128
   17    HB   ILE   4           HB       ILE   4   2.083   4.633  -0.745
   18   HG12  ILE   4          1HG1      ILE   4  -0.795   4.037  -0.224
   19   HG13  ILE   4          2HG1      ILE   4   0.397   2.781   0.151
   20   HG21  ILE   4          1HG2      ILE   4   1.220   6.044  -2.417
   21   HG22  ILE   4          2HG2      ILE   4  -0.340   5.224  -2.416
   22   HG23  ILE   4          3HG2      ILE   4   0.128   6.231  -1.046
   23   HD11  ILE   4          3HD1      ILE   4   1.623   4.496   1.517
   24   HD12  ILE   4          1HD1      ILE   4   0.218   5.540   1.316
   25   HD13  ILE   4          2HD1      ILE   4   0.054   3.992   2.144
   26    HA   PRO   5           HA       PRO   5   5.113   1.377  -2.162
   27    HB2  PRO   5           1HB      PRO   5   6.991   3.352  -1.889
   28    HB3  PRO   5           2HB      PRO   5   6.286   2.888  -3.437
   29    HG2  PRO   5           1HG      PRO   5   5.542   5.148  -1.609
   30    HG3  PRO   5           2HG      PRO   5   5.759   5.152  -3.399
   31    HD2  PRO   5           1HD      PRO   5   3.315   5.080  -2.222
   32    HD3  PRO   5           2HD      PRO   5   3.663   4.264  -3.754
   33    H    THR   6           H        THR   6   6.470   0.703  -0.489
   34    HA   THR   6           HA       THR   6   6.365   2.149   2.048
   35    HB   THR   6           HB       THR   6   5.584   0.346   3.346
   36    HG1  THR   6           1HG      THR   6   5.358  -1.749   2.517
   37   HG21  THR   6          3HG2      THR   6   3.807   1.496   2.075
   38   HG22  THR   6          1HG2      THR   6   3.400  -0.184   2.425
   39   HG23  THR   6          2HG2      THR   6   3.944   0.274   0.810
   40    H    THR   7           H        THR   7   7.729   0.796   3.728
   41    HA   THR   7           HA       THR   7  10.373   0.825   2.892
   42    HB   THR   7           HB       THR   7  10.625  -0.822   4.972
   43    HG1  THR   7           1HG      THR   7   8.865  -0.668   6.348
   44   HG21  THR   7          3HG2      THR   7  10.010   1.453   6.334
   45   HG22  THR   7          1HG2      THR   7  10.239   2.079   4.702
   46   HG23  THR   7          2HG2      THR   7  11.533   1.175   5.489
   47    H    SER   8           H        SER   8   8.036  -1.787   2.859
   48    HA   SER   8           HA       SER   8  10.059  -3.717   2.033
   49    HB2  SER   8           1HB      SER   8   8.364  -5.397   2.276
   50    HB3  SER   8           2HB      SER   8   8.235  -4.312   3.671
   51    HG   SER   8           HG       SER   8   6.278  -3.883   3.081
   52    H    GLY   9           H        GLY   9   7.617  -1.684   0.683
   53    HA2  GLY   9           2HA      GLY   9   8.263  -1.489  -1.844
   54    HA3  GLY   9           3HA      GLY   9   7.662  -3.141  -1.863
   55    HA   PRO  10           HA       PRO  10   4.144  -0.245  -2.789
   56    HB2  PRO  10           1HB      PRO  10   3.291  -1.586  -5.019
   57    HB3  PRO  10           2HB      PRO  10   4.533  -0.338  -5.052
   58    HG2  PRO  10           1HG      PRO  10   4.836  -3.321  -4.969
   59    HG3  PRO  10           2HG      PRO  10   5.698  -2.115  -5.995
   60    HD2  PRO  10           1HD      PRO  10   6.813  -3.216  -3.779
   61    HD3  PRO  10           2HD      PRO  10   7.144  -1.553  -4.291
   62    H    ILE  11           H        ILE  11   2.580  -0.685  -1.361
   63    HA   ILE  11           HA       ILE  11   1.399  -3.386  -1.374
   64    HB   ILE  11           HB       ILE  11   1.437  -1.446   0.939
   65   HG12  ILE  11          1HG1      ILE  11   3.686  -2.282   0.459
   66   HG13  ILE  11          2HG1      ILE  11   3.062  -2.980   1.963
   67   HG21  ILE  11          1HG2      ILE  11   0.526  -4.312   0.725
   68   HG22  ILE  11          2HG2      ILE  11   0.657  -3.405   2.230
   69   HG23  ILE  11          3HG2      ILE  11  -0.490  -2.895   0.991
   70   HD11  ILE  11          3HD1      ILE  11   3.098  -4.370  -0.706
   71   HD12  ILE  11          1HD1      ILE  11   4.234  -4.641   0.615
   72   HD13  ILE  11          2HD1      ILE  11   2.531  -5.051   0.819
   73    H    CYS  12           H        CYS  12  -0.778  -3.592  -1.560
   74    HA   CYS  12           HA       CYS  12  -2.257  -1.166  -2.249
   75    HB2  CYS  12           1HB      CYS  12  -2.568  -4.080  -2.836
   76    HB3  CYS  12           2HB      CYS  12  -4.012  -3.067  -2.852
   77    H    LEU  13           H        LEU  13  -3.020  -0.214  -0.446
   78    HA   LEU  13           HA       LEU  13  -4.118  -1.795   1.722
   79    HB2  LEU  13           1HB      LEU  13  -3.635   1.142   1.286
   80    HB3  LEU  13           2HB      LEU  13  -4.599   0.552   2.653
   81    HG   LEU  13           HG       LEU  13  -2.599  -0.798   3.359
   82   HD11  LEU  13          1HD1      LEU  13  -0.413   0.184   2.441
   83   HD12  LEU  13          2HD1      LEU  13  -1.390   0.725   1.079
   84   HD13  LEU  13          3HD1      LEU  13  -1.276  -0.995   1.453
   85   HD21  LEU  13          3HD2      LEU  13  -2.256   2.197   3.222
   86   HD22  LEU  13          1HD2      LEU  13  -1.445   1.109   4.350
   87   HD23  LEU  13          2HD2      LEU  13  -3.195   1.316   4.429
   88    H    ARG  14           H        ARG  14  -6.207  -2.227   2.034
   89    HA   ARG  14           HA       ARG  14  -8.136  -1.418   0.066
   90    HB2  ARG  14           1HB      ARG  14  -8.075  -3.264   2.398
   91    HB3  ARG  14           2HB      ARG  14  -9.656  -2.659   1.883
   92    HG2  ARG  14           1HG      ARG  14  -9.050  -4.847   0.883
   93    HG3  ARG  14           2HG      ARG  14  -9.374  -3.577  -0.307
   94    HD2  ARG  14           1HD      ARG  14  -7.159  -3.393  -0.939
   95    HD3  ARG  14           2HD      ARG  14  -6.572  -4.007   0.613
   96    HE   ARG  14           HE       ARG  14  -7.897  -6.118  -0.533
   97   HH11  ARG  14          1HH1      ARG  14  -5.238  -4.054  -1.417
   98   HH12  ARG  14          2HH1      ARG  14  -4.440  -5.267  -2.363
   99   HH21  ARG  14          1HH2      ARG  14  -6.857  -7.724  -1.774
  100   HH22  ARG  14          2HH2      ARG  14  -5.363  -7.354  -2.565
  101    H    ASP  15           H        ASP  15  -6.909   0.112   2.706
  102    HA   ASP  15           HA       ASP  15  -9.388   1.293   3.648
  103    HB2  ASP  15           1HB      ASP  15  -7.704   0.834   5.314
  104    HB3  ASP  15           2HB      ASP  15  -6.500   1.759   4.408
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -6.783   2.363   2.888
    2    HA2  GLY   1           2HA      GLY   1  -6.912   4.984   1.793
    3    HA3  GLY   1           3HA      GLY   1  -5.447   4.070   2.119
    4    H    HIS   2           H        HIS   2  -4.387   3.085   0.468
    5    HA   HIS   2           HA       HIS   2  -5.565   2.468  -2.038
    6    HB2  HIS   2           1HB      HIS   2  -5.003   5.158  -1.764
    7    HB3  HIS   2           2HB      HIS   2  -3.567   4.539  -2.584
    8    HD1  HIS   2           1HD      HIS   2  -3.763   4.801  -5.023
    9    HD2  HIS   2           2HD      HIS   2  -7.430   3.920  -3.277
   10    HE1  HIS   2           1HE      HIS   2  -5.406   4.700  -6.923
   11    H    CYS   3           H        CYS   3  -3.399   2.587  -3.716
   12    HA   CYS   3           HA       CYS   3  -1.551   0.730  -2.393
   13    HB2  CYS   3           1HB      CYS   3  -1.949   1.214  -5.355
   14    HB3  CYS   3           2HB      CYS   3  -1.007  -0.083  -4.616
   15    H    ILE   4           H        ILE   4   0.188   1.733  -1.609
   16    HA   ILE   4           HA       ILE   4   1.662   3.535  -3.403
   17    HB   ILE   4           HB       ILE   4   2.339   4.694  -1.127
   18   HG12  ILE   4          1HG1      ILE   4   0.698   2.966  -0.006
   19   HG13  ILE   4          2HG1      ILE   4   0.801   4.630   0.593
   20   HG21  ILE   4          1HG2      ILE   4  -0.143   5.205  -2.745
   21   HG22  ILE   4          2HG2      ILE   4   0.444   6.319  -1.512
   22   HG23  ILE   4          3HG2      ILE   4   1.445   5.952  -2.917
   23   HD11  ILE   4          3HD1      ILE   4  -1.214   3.987  -1.499
   24   HD12  ILE   4          1HD1      ILE   4  -1.520   3.515   0.172
   25   HD13  ILE   4          2HD1      ILE   4  -1.252   5.211  -0.229
   26    HA   PRO   5           HA       PRO   5   5.261   1.260  -2.340
   27    HB2  PRO   5           1HB      PRO   5   7.188   3.204  -2.290
   28    HB3  PRO   5           2HB      PRO   5   6.428   2.627  -3.772
   29    HG2  PRO   5           1HG      PRO   5   5.785   5.053  -2.129
   30    HG3  PRO   5           2HG      PRO   5   5.951   4.897  -3.917
   31    HD2  PRO   5           1HD      PRO   5   3.541   4.984  -2.673
   32    HD3  PRO   5           2HD      PRO   5   3.827   4.032  -4.138
   33    H    THR   6           H        THR   6   6.629   0.685  -0.646
   34    HA   THR   6           HA       THR   6   6.644   2.352   1.754
   35    HB   THR   6           HB       THR   6   5.845   0.698   3.225
   36    HG1  THR   6           1HG      THR   6   6.181  -1.345   2.815
   37   HG21  THR   6          3HG2      THR   6   3.620   0.319   2.524
   38   HG22  THR   6          1HG2      THR   6   4.079   0.284   0.822
   39   HG23  THR   6          2HG2      THR   6   4.122   1.803   1.716
   40    H    THR   7           H        THR   7   8.005   1.088   3.513
   41    HA   THR   7           HA       THR   7  10.627   0.975   2.630
   42    HB   THR   7           HB       THR   7  10.941  -0.479   4.799
   43    HG1  THR   7           1HG      THR   7   8.442   0.679   5.433
   44   HG21  THR   7          3HG2      THR   7  11.729   1.694   4.922
   45   HG22  THR   7          1HG2      THR   7  10.465   1.701   6.151
   46   HG23  THR   7          2HG2      THR   7  10.153   2.398   4.561
   47    H    SER   8           H        SER   8   8.228  -1.576   2.842
   48    HA   SER   8           HA       SER   8  10.182  -3.603   2.084
   49    HB2  SER   8           1HB      SER   8   8.093  -5.113   2.201
   50    HB3  SER   8           2HB      SER   8   8.693  -4.418   3.717
   51    HG   SER   8           HG       SER   8   6.318  -4.263   3.141
   52    H    GLY   9           H        GLY   9   7.736  -1.613   0.680
   53    HA2  GLY   9           2HA      GLY   9   8.293  -1.600  -1.873
   54    HA3  GLY   9           3HA      GLY   9   7.666  -3.238  -1.760
   55    HA   PRO  10           HA       PRO  10   4.161  -0.355  -2.764
   56    HB2  PRO  10           1HB      PRO  10   3.208  -1.835  -4.862
   57    HB3  PRO  10           2HB      PRO  10   4.468  -0.613  -5.027
   58    HG2  PRO  10           1HG      PRO  10   4.729  -3.587  -4.745
   59    HG3  PRO  10           2HG      PRO  10   5.571  -2.472  -5.882
   60    HD2  PRO  10           1HD      PRO  10   6.747  -3.435  -3.633
   61    HD3  PRO  10           2HD      PRO  10   7.086  -1.819  -4.272
   62    H    ILE  11           H        ILE  11   2.642  -0.666  -1.256
   63    HA   ILE  11           HA       ILE  11   1.447  -3.349  -1.008
   64    HB   ILE  11           HB       ILE  11   2.624  -2.567   1.030
   65   HG12  ILE  11          1HG1      ILE  11   0.622  -2.843   2.588
   66   HG13  ILE  11          2HG1      ILE  11  -0.371  -2.922   1.123
   67   HG21  ILE  11          1HG2      ILE  11   2.075  -0.137   0.612
   68   HG22  ILE  11          2HG2      ILE  11   0.472  -0.479   1.260
   69   HG23  ILE  11          3HG2      ILE  11   1.897  -0.691   2.277
   70   HD11  ILE  11          3HD1      ILE  11  -0.031  -5.134   1.399
   71   HD12  ILE  11          1HD1      ILE  11   1.427  -4.771   0.477
   72   HD13  ILE  11          2HD1      ILE  11   1.506  -4.909   2.234
   73    H    CYS  12           H        CYS  12  -0.695  -3.579  -1.291
   74    HA   CYS  12           HA       CYS  12  -2.216  -1.184  -2.021
   75    HB2  CYS  12           1HB      CYS  12  -2.377  -4.079  -2.706
   76    HB3  CYS  12           2HB      CYS  12  -3.885  -3.164  -2.690
   77    H    LEU  13           H        LEU  13  -3.858  -0.433  -0.828
   78    HA   LEU  13           HA       LEU  13  -4.729  -2.052   1.475
   79    HB2  LEU  13           1HB      LEU  13  -4.020   0.805   1.175
   80    HB3  LEU  13           2HB      LEU  13  -5.438   0.451   2.178
   81    HG   LEU  13           HG       LEU  13  -2.655  -0.626   2.628
   82   HD11  LEU  13          1HD1      LEU  13  -3.296   1.880   3.082
   83   HD12  LEU  13          2HD1      LEU  13  -2.347   0.960   4.248
   84   HD13  LEU  13          3HD1      LEU  13  -4.076   1.193   4.507
   85   HD21  LEU  13          3HD2      LEU  13  -4.097  -2.261   3.462
   86   HD22  LEU  13          1HD2      LEU  13  -5.277  -1.072   4.016
   87   HD23  LEU  13          2HD2      LEU  13  -3.742  -1.253   4.865
   88    H    ARG  14           H        ARG  14  -6.908  -2.162   1.963
   89    HA   ARG  14           HA       ARG  14  -8.692  -1.455  -0.242
   90    HB2  ARG  14           1HB      ARG  14  -9.260  -3.156   2.195
   91    HB3  ARG  14           2HB      ARG  14 -10.265  -3.011   0.745
   92    HG2  ARG  14           1HG      ARG  14  -7.525  -4.265   0.930
   93    HG3  ARG  14           2HG      ARG  14  -9.071  -5.090   0.671
   94    HD2  ARG  14           1HD      ARG  14  -9.350  -3.852  -1.461
   95    HD3  ARG  14           2HD      ARG  14  -7.759  -3.125  -1.203
   96    HE   ARG  14           HE       ARG  14  -8.312  -5.792  -2.117
   97   HH11  ARG  14          1HH1      ARG  14  -5.987  -3.725  -0.556
   98   HH12  ARG  14          2HH1      ARG  14  -4.627  -4.707  -0.992
   99   HH21  ARG  14          1HH2      ARG  14  -6.531  -7.093  -2.696
  100   HH22  ARG  14          2HH2      ARG  14  -4.938  -6.622  -2.209
  101    H    ASP  15           H        ASP  15  -7.666   0.515   1.715
  102    HA   ASP  15           HA       ASP  15 -10.252   1.648   2.446
  103    HB2  ASP  15           1HB      ASP  15  -8.043   0.987   4.377
  104    HB3  ASP  15           2HB      ASP  15  -9.129   2.347   4.690
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -6.804   2.421   2.880
    2    HA2  GLY   1           2HA      GLY   1  -7.016   4.987   1.705
    3    HA3  GLY   1           3HA      GLY   1  -5.519   4.136   2.054
    4    H    HIS   2           H        HIS   2  -4.432   3.117   0.431
    5    HA   HIS   2           HA       HIS   2  -5.580   2.444  -2.073
    6    HB2  HIS   2           1HB      HIS   2  -5.013   5.152  -1.819
    7    HB3  HIS   2           2HB      HIS   2  -3.610   4.509  -2.677
    8    HD1  HIS   2           1HD      HIS   2  -3.948   5.021  -5.072
    9    HD2  HIS   2           2HD      HIS   2  -7.433   3.643  -3.278
   10    HE1  HIS   2           1HE      HIS   2  -5.635   4.845  -6.928
   11    H    CYS   3           H        CYS   3  -3.408   2.558  -3.737
   12    HA   CYS   3           HA       CYS   3  -1.539   0.757  -2.366
   13    HB2  CYS   3           1HB      CYS   3  -1.966   1.168  -5.337
   14    HB3  CYS   3           2HB      CYS   3  -0.958  -0.071  -4.588
   15    H    ILE   4           H        ILE   4   0.179   1.806  -1.597
   16    HA   ILE   4           HA       ILE   4   1.619   3.609  -3.419
   17    HB   ILE   4           HB       ILE   4   2.304   4.780  -1.152
   18   HG12  ILE   4          1HG1      ILE   4   0.700   3.031  -0.010
   19   HG13  ILE   4          2HG1      ILE   4   0.786   4.697   0.583
   20   HG21  ILE   4          1HG2      ILE   4   0.341   6.359  -1.515
   21   HG22  ILE   4          2HG2      ILE   4   1.390   6.054  -2.899
   22   HG23  ILE   4          3HG2      ILE   4  -0.173   5.246  -2.783
   23   HD11  ILE   4          3HD1      ILE   4  -1.241   4.023  -1.486
   24   HD12  ILE   4          1HD1      ILE   4  -1.523   3.548   0.189
   25   HD13  ILE   4          2HD1      ILE   4  -1.284   5.247  -0.217
   26    HA   PRO   5           HA       PRO   5   5.264   1.389  -2.393
   27    HB2  PRO   5           1HB      PRO   5   7.161   3.366  -2.361
   28    HB3  PRO   5           2HB      PRO   5   6.396   2.773  -3.836
   29    HG2  PRO   5           1HG      PRO   5   5.734   5.190  -2.187
   30    HG3  PRO   5           2HG      PRO   5   5.883   5.037  -3.976
   31    HD2  PRO   5           1HD      PRO   5   3.485   5.088  -2.706
   32    HD3  PRO   5           2HD      PRO   5   3.769   4.139  -4.176
   33    H    THR   6           H        THR   6   6.588   0.792  -0.694
   34    HA   THR   6           HA       THR   6   6.676   2.481   1.688
   35    HB   THR   6           HB       THR   6   5.849   0.855   3.188
   36    HG1  THR   6           1HG      THR   6   6.107  -1.194   2.759
   37   HG21  THR   6          3HG2      THR   6   4.150   2.051   1.720
   38   HG22  THR   6          1HG2      THR   6   3.591   0.591   2.536
   39   HG23  THR   6          2HG2      THR   6   4.010   0.538   0.824
   40    H    THR   7           H        THR   7   7.889   0.911   3.465
   41    HA   THR   7           HA       THR   7  10.546   0.772   2.551
   42    HB   THR   7           HB       THR   7  10.872  -0.594   4.735
   43    HG1  THR   7           1HG      THR   7   8.994  -0.066   6.171
   44   HG21  THR   7          3HG2      THR   7  10.714   1.446   6.087
   45   HG22  THR   7          1HG2      THR   7   9.751   2.210   4.823
   46   HG23  THR   7          2HG2      THR   7  11.432   1.776   4.510
   47    H    SER   8           H        SER   8   8.033  -1.664   2.884
   48    HA   SER   8           HA       SER   8   9.872  -3.788   2.105
   49    HB2  SER   8           1HB      SER   8   8.118  -5.328   2.633
   50    HB3  SER   8           2HB      SER   8   8.127  -4.100   3.912
   51    HG   SER   8           HG       SER   8   6.144  -4.748   2.216
   52    H    GLY   9           H        GLY   9   8.176  -1.478   0.527
   53    HA2  GLY   9           2HA      GLY   9   8.388  -1.590  -1.934
   54    HA3  GLY   9           3HA      GLY   9   7.756  -3.227  -1.820
   55    HA   PRO  10           HA       PRO  10   4.238  -0.391  -2.842
   56    HB2  PRO  10           1HB      PRO  10   3.214  -1.981  -4.823
   57    HB3  PRO  10           2HB      PRO  10   4.482  -0.786  -5.092
   58    HG2  PRO  10           1HG      PRO  10   4.721  -3.741  -4.642
   59    HG3  PRO  10           2HG      PRO  10   5.544  -2.705  -5.864
   60    HD2  PRO  10           1HD      PRO  10   6.769  -3.548  -3.594
   61    HD3  PRO  10           2HD      PRO  10   7.107  -1.975  -4.335
   62    H    ILE  11           H        ILE  11   2.755  -0.595  -1.281
   63    HA   ILE  11           HA       ILE  11   1.567  -3.250  -0.813
   64    HB   ILE  11           HB       ILE  11   1.720  -0.907   1.087
   65   HG12  ILE  11          1HG1      ILE  11   3.135  -3.586   1.113
   66   HG13  ILE  11          2HG1      ILE  11   3.887  -2.025   0.742
   67   HG21  ILE  11          1HG2      ILE  11   0.618  -3.685   1.477
   68   HG22  ILE  11          2HG2      ILE  11   0.814  -2.477   2.746
   69   HG23  ILE  11          3HG2      ILE  11  -0.311  -2.187   1.420
   70   HD11  ILE  11          3HD1      ILE  11   2.923  -3.062   3.369
   71   HD12  ILE  11          1HD1      ILE  11   4.488  -2.371   2.943
   72   HD13  ILE  11          2HD1      ILE  11   3.073  -1.327   3.087
   73    H    CYS  12           H        CYS  12  -0.564  -3.524  -1.100
   74    HA   CYS  12           HA       CYS  12  -2.128  -1.186  -1.934
   75    HB2  CYS  12           1HB      CYS  12  -2.201  -4.095  -2.574
   76    HB3  CYS  12           2HB      CYS  12  -3.733  -3.221  -2.592
   77    H    LEU  13           H        LEU  13  -3.761  -0.437  -0.740
   78    HA   LEU  13           HA       LEU  13  -4.647  -2.059   1.556
   79    HB2  LEU  13           1HB      LEU  13  -3.974   0.807   1.248
   80    HB3  LEU  13           2HB      LEU  13  -5.398   0.437   2.238
   81    HG   LEU  13           HG       LEU  13  -2.604  -0.597   2.721
   82   HD11  LEU  13          1HD1      LEU  13  -4.148   1.720   3.752
   83   HD12  LEU  13          2HD1      LEU  13  -2.422   1.560   3.431
   84   HD13  LEU  13          3HD1      LEU  13  -3.119   0.837   4.880
   85   HD21  LEU  13          3HD2      LEU  13  -3.690  -1.240   4.945
   86   HD22  LEU  13          1HD2      LEU  13  -4.045  -2.246   3.540
   87   HD23  LEU  13          2HD2      LEU  13  -5.228  -1.064   4.099
   88    H    ARG  14           H        ARG  14  -6.830  -2.191   2.023
   89    HA   ARG  14           HA       ARG  14  -8.598  -1.524  -0.210
   90    HB2  ARG  14           1HB      ARG  14  -9.156  -3.224   2.231
   91    HB3  ARG  14           2HB      ARG  14 -10.166  -3.087   0.784
   92    HG2  ARG  14           1HG      ARG  14  -7.413  -4.311   0.957
   93    HG3  ARG  14           2HG      ARG  14  -8.951  -5.155   0.709
   94    HD2  ARG  14           1HD      ARG  14  -9.258  -3.938  -1.424
   95    HD3  ARG  14           2HD      ARG  14  -7.686  -3.169  -1.176
   96    HE   ARG  14           HE       ARG  14  -7.450  -5.994  -1.069
   97   HH11  ARG  14          1HH1      ARG  14  -7.862  -3.337  -3.281
   98   HH12  ARG  14          2HH1      ARG  14  -7.118  -4.159  -4.612
   99   HH21  ARG  14          1HH2      ARG  14  -6.468  -7.087  -2.815
  100   HH22  ARG  14          2HH2      ARG  14  -6.328  -6.293  -4.346
  101    H    ASP  15           H        ASP  15  -7.627   0.484   1.723
  102    HA   ASP  15           HA       ASP  15 -10.239   1.563   2.450
  103    HB2  ASP  15           1HB      ASP  15  -9.445   0.443   4.484
  104    HB3  ASP  15           2HB      ASP  15  -7.935   1.358   4.401