*HEADER    UNKNOWN FUNCTION                        28-FEB-14   2MLJ              
*TITLE     STRUCTURE OF LASSO PEPTIDE CAULONODIN V                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CAULONODIN V;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAULOBACTER SP.;                                
*SOURCE   3 ORGANISM_TAXID: 366602;                                              
*SOURCE   4 STRAIN: K31;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET41A                                    
*KEYWDS    LARIAT PROTOKNOT, UNKNOWN FUNCTION                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    M.ZIMMERMANN, J.D.HEGEMANN, X.XIE, M.A.MARAHIEL                       
*REVDAT   1   14-JAN-15 2MLJ    0                                                


# DYANA Upper Limit File for molecule named: cnd512-ssa.upl 
# based on NOESY 150 ms in H2O/D2O (9:1) at 298 K 
# Atom names according to the convention of cyana.lib
# Upper limit distances produced by calibrating
# Germinal protons with a distance of 1.78 Angstrom
# After revision on the basis of stereo specific assignment
# Manual Input for proper geometry 
# of side-chain/backbone peptide bond
  1 SER  N       9 GLU  CD      1.33 
  1 SER  N       9 GLU  OE1     2.26 
  1 SER  N       9 GLU  CG      2.41 
  1 SER  H       9 GLU  CD      2.06 
  1 SER  CA      9 GLU  CD      2.42 
  1 SER  H       1 GLY  CA      2.09 
  1 SER  CA      9 GLU  OE1     2.78 
  1 SER  H       9 GLU  OE1     3.17 
# END Manual Input
  1 SER  H       1 SER  HA      2.68            #peak    42
  1 SER  H       1 SER  HB2     2.96            #peak    44
  1 SER  H       1 SER  HB3     2.86            #peak    43
  1 SER  H       2 ILE  H       2.68            #peak   212
  1 SER  H       3 GLY  H       2.86            #peak   215
  1 SER  H       9 GLU  HB2     3.24            #peak   116
  1 SER  H       9 GLU  QG      3.34            #peak   115
  1 SER  H      17 TRP  HA      2.68            #peak   217
  1 SER  HA      1 SER  HB3     2.40            #peak   191
  1 SER  HA      2 ILE  H       3.17            #peak   227
  1 SER  HB2    17 TRP  HZ3     2.65            #peak   111
  1 SER  HB3     2 ILE  H       2.55            #peak   205
  1 SER  HB3     2 ILE  QD1     4.01            #peak   147
  2 ILE  H       2 ILE  HA      2.71            #peak     8
  2 ILE  H       2 ILE  QG2     3.45            #peak   142
  2 ILE  H       2 ILE  HG12    2.40            #peak   143
  2 ILE  H       2 ILE  HG13    3.02            #peak    61
  2 ILE  H       3 GLY  H       2.40            #peak   225
  2 ILE  H      18 PRO  HD3     3.48            #peak   228
  2 ILE  HA      2 ILE  HB      2.40            #peak   161
  2 ILE  HA      2 ILE  QD1     3.42            #peak   137
  2 ILE  HA      3 GLY  H       2.93            #peak    81
  2 ILE  HB      2 ILE  QG2     3.42            #peak     9
  2 ILE  HG12    2 ILE  HG13    2.40            #peak   148
  2 ILE  QD1     2 ILE  HG12    3.42            #peak    11
  2 ILE  QD1     2 ILE  HG13    3.42            #peak    10
  2 ILE  QD1    14 GLN  QG      4.30            #peak   153
  3 GLY  H       3 GLY  HA2     2.40            #peak   170
  3 GLY  H       3 GLY  HA3     2.52            #peak    22
  3 GLY  HA2     3 GLY  HA3     2.40            #peak   189
  3 GLY  HA2     4 ASP  H       2.49            #peak    66
  3 GLY  HA2    16 TYR  HB2     2.96            #peak   185
  3 GLY  HA3     4 ASP  H       2.40            #peak    65
  4 ASP  H       4 ASP  HA      2.68            #peak    12
  4 ASP  H       4 ASP  QB      3.78            #peak   222
  4 ASP  H       5 SER  H       2.40            #peak   213
  4 ASP  HA      4 ASP  QB      3.28            #peak   124
  4 ASP  HA      5 SER  H       2.99            #peak   106
  4 ASP  HA     16 TYR  QD      4.65            #peak   117
  5 SER  H       5 SER  HA      2.68            #peak   177
  5 SER  H       5 SER  QB      4.09            #peak   178
  5 SER  H      16 TYR  HB2     2.93            #peak   108
  5 SER  H      16 TYR  HB3     3.11            #peak   107
  5 SER  HA      5 SER  QB      3.28            #peak   183
  5 SER  HA      6 GLY  H       2.40            #peak   171
  5 SER  HA     16 TYR  QD      5.83            #peak   182
  5 SER  QB      6 GLY  H       3.56            #peak   173
  6 GLY  H       6 GLY  HA2     2.40            #peak   172
  6 GLY  H       6 GLY  HA3     2.68            #peak    25
  6 GLY  H      16 TYR  QD      6.57            #peak    86
  6 GLY  HA3     6 GLY  HA2     2.40            #peak   126
  6 GLY  HA2     7 LEU  H       2.90            #peak    53
  6 GLY  HA3     7 LEU  H       2.40            #peak    52
  7 LEU  H       7 LEU  HA      2.71            #peak     2
  7 LEU  H       7 LEU  QB      3.37            #peak     3
  7 LEU  H      16 TYR  QD      6.36            #peak   226
  7 LEU  HA      7 LEU  QB      3.53            #peak   146
  7 LEU  HA      8 ARG  H       2.40            #peak    75
  7 LEU  QB      8 ARG  H       4.40            #peak   219
  7 LEU  QB     17 TRP  HD1     3.44            #peak   113
  8 ARG  H       8 ARG  HA      2.68            #peak    18
  8 ARG  H       8 ARG  HB2     2.49            #peak    77
  8 ARG  H       8 ARG  HB3     2.86            #peak    76
  8 ARG  H       8 ARG  HG2     3.05            #peak    79
  8 ARG  H       8 ARG  HG3     2.93            #peak    20
  8 ARG  H      16 TYR  QD      6.30            #peak    74
  8 ARG  HA      8 ARG  HB3     2.46            #peak   186
  8 ARG  HA      9 GLU  H       2.40            #peak   174
  8 ARG  HA     16 TYR  HA      2.40            #peak   123
  8 ARG  HA     16 TYR  QD      5.33            #peak   181
  8 ARG  HB2     8 ARG  HB3     2.40            #peak   150
  8 ARG  HB3     8 ARG  HG2     2.74            #peak   152
  8 ARG  HB3     9 GLU  H       2.99            #peak    96
  8 ARG  HB3    10 SER  H       2.77            #peak   103
  8 ARG  HG2     8 ARG  HG3     2.40            #peak   149
  8 ARG  HD2     8 ARG  HE      2.65            #peak    21
  9 GLU  H       9 GLU  HA      2.55            #peak    29
  9 GLU  H       9 GLU  HB2     2.40            #peak    31
  9 GLU  H       9 GLU  HB3     2.99            #peak    30
  9 GLU  H       9 GLU  QG      3.41            #peak    32
  9 GLU  H      16 TYR  HA      2.40            #peak    94
  9 GLU  HA      9 GLU  HB3     2.40            #peak   187
  9 GLU  HA     10 SER  H       3.08            #peak   102
  9 GLU  HA     17 TRP  HD1     3.70            #peak   112
  9 GLU  HA     17 TRP  HE1     2.46            #peak    51
  9 GLU  HB2    10 SER  H       2.74            #peak   105
  9 GLU  HB3    10 SER  H       2.96            #peak   104
 10 SER  H      10 SER  HA      2.59            #peak    33
 10 SER  H      10 SER  HB3     2.83            #peak    34
 10 SER  H      13 SER  HB3     3.33            #peak   101
 10 SER  HA     11 MET  H       2.40            #peak    71
 10 SER  HB3    11 MET  H       2.49            #peak   169
 10 SER  HB3    14 GLN  H       2.77            #peak   223
 10 SER  HB2    11 MET  H       2.52            #peak   204
 10 SER  HB2    16 TYR  H       2.40            #peak   203
 11 MET  H      11 MET  HA      2.74            #peak    16
 11 MET  H      11 MET  QB      3.47            #peak    73
 11 MET  H      11 MET  HG2     3.83            #peak   221
 11 MET  H      12 SER  H       2.43            #peak   224
 11 MET  HA     11 MET  QB      3.59            #peak    49
 11 MET  HA     12 SER  H       3.08            #peak    83
 11 MET  HG3    11 MET  HG2     2.40            #peak   157
 12 SER  H      12 SER  HA      2.68            #peak    24
 12 SER  H      12 SER  HB2     2.93            #peak    85
 12 SER  H      12 SER  HB3     3.02            #peak    84
 12 SER  H      13 SER  H       2.40            #peak   216
 13 SER  H      13 SER  HA      2.49            #peak    35
 13 SER  H      13 SER  HB3     2.77            #peak    37
 13 SER  H      13 SER  HB2     2.77            #peak    36
 13 SER  HA     14 GLN  H       2.40            #peak    68
 13 SER  HB2    15 THR  H       2.96            #peak   110
 14 GLN  H      14 GLN  HA      2.52            #peak    14
 14 GLN  H      14 GLN  QB      3.78            #peak    69
 14 GLN  H      14 GLN  QG      4.55            #peak   220
 14 GLN  H      15 THR  H       2.40            #peak   214
 14 GLN  HA     15 THR  H       2.62            #peak   109
 14 GLN  QB     14 GLN  QG      4.16            #peak   154
 14 GLN  HE22   14 GLN  HE21    2.40            #peak   208
 15 THR  H      15 THR  HA      2.59            #peak    40
 15 THR  H      15 THR  QG2     3.76            #peak   139
 15 THR  HA     15 THR  QG2     3.51            #peak   136
 15 THR  HA     16 TYR  H       2.40            #peak    90
 15 THR  HB     15 THR  QG2     3.48            #peak   135
 15 THR  HB     16 TYR  H       2.40            #peak    91
 15 THR  QG2    16 TYR  H       4.41            #peak    93
 16 TYR  H      16 TYR  HA      2.80            #peak    27
 16 TYR  H      16 TYR  HB2     2.40            #peak    92
 16 TYR  H      16 TYR  QD      5.18            #peak    89
 16 TYR  HA     16 TYR  HB2     2.71            #peak   162
 16 TYR  HA     16 TYR  HB3     2.40            #peak   125
 16 TYR  HA     17 TRP  H       2.40            #peak    56
 16 TYR  HB2    16 TYR  HB3     2.40            #peak   155
 16 TYR  QD     16 TYR  HB2     4.84            #peak   145
 16 TYR  HB3    16 TYR  QD      4.53            #peak   118
 16 TYR  HB3    17 TRP  H       2.40            #peak   165
 17 TRP  H      17 TRP  HA      2.68            #peak     4
 17 TRP  H      17 TRP  HB2     2.40            #peak   167
 17 TRP  H      17 TRP  HB3     3.08            #peak   229
 17 TRP  H      17 TRP  HD1     2.83            #peak   211
 17 TRP  HA     17 TRP  HE3     2.40            #peak   218
 17 TRP  HA     18 PRO  HD3     2.40            #peak   192
 17 TRP  HA     18 PRO  HD2     2.40            #peak   193
 17 TRP  HB2    17 TRP  HB3     2.40            #peak   184
 17 TRP  HB2    17 TRP  HD1     2.40            #peak    46
 17 TRP  HB3    17 TRP  HD1     3.70            #peak    45
 17 TRP  HB3    17 TRP  HE3     2.93            #peak   100
 17 TRP  HB3    18 PRO  HD2     2.40            #peak   188
 17 TRP  HE1    17 TRP  HD1     2.40            #peak   210
 17 TRP  HZ3    17 TRP  HE3     2.40            #peak    97
 17 TRP  HH2    17 TRP  HE3     5.50            #peak     7
 17 TRP  HE3    18 PRO  HD3     2.65            #peak    98
 17 TRP  HE3    18 PRO  HD2     2.40            #peak   200
 17 TRP  HE1    17 TRP  HZ2     2.68            #peak   209
 17 TRP  HZ3    17 TRP  HZ2     5.50            #peak     6
 18 PRO  HA     18 PRO  HB3     2.49            #peak    47
 18 PRO  HA     18 PRO  HB2     2.55            #peak    48
 18 PRO  HD3    18 PRO  HB3     2.46            #peak   160
 18 PRO  HD3    18 PRO  HG3     2.40            #peak   159
 18 PRO  HD2    18 PRO  HG3     2.68            #peak   158


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H        SER   1   2.121  -0.499   0.093
    2    HA   SER   1           HA       SER   1   1.676  -0.332  -2.781
    3    HB2  SER   1           HB2      SER   1   3.987   0.543  -3.320
    4    HB3  SER   1           HB3      SER   1   2.939   1.768  -2.544
    5    HG   SER   1           HG       SER   1   5.100   1.614  -1.508
    6    H    ILE   2           H        ILE   2   4.674  -0.930  -0.772
    7    HA   ILE   2           HA       ILE   2   4.400  -3.848  -1.400
    8    HB   ILE   2           HB       ILE   2   6.885  -3.867  -1.943
    9   HG12  ILE   2          HG12      ILE   2   7.973  -1.809  -2.777
   10   HG13  ILE   2          HG13      ILE   2   6.564  -0.817  -2.350
   11   HG21  ILE   2          HG21      ILE   2   5.117  -2.283  -3.894
   12   HG22  ILE   2          HG22      ILE   2   6.591  -3.195  -4.314
   13   HG23  ILE   2          HG23      ILE   2   5.152  -4.061  -3.727
   14   HD11  ILE   2          HD11      ILE   2   8.461  -0.591  -0.714
   15   HD12  ILE   2          HD12      ILE   2   7.013  -1.226   0.089
   16   HD13  ILE   2          HD13      ILE   2   8.357  -2.331  -0.338
   17    H    GLY   3           H        GLY   3   3.713  -2.364   1.029
   18    HA2  GLY   3           HA3      GLY   3   5.923  -3.349   2.812
   19    HA3  GLY   3           HA2      GLY   3   4.758  -2.065   3.185
   20    H    ASP   4           H        ASP   4   5.061  -4.309   4.846
   21    HA   ASP   4           HA       ASP   4   2.394  -5.527   4.542
   22    HB2  ASP   4           HB2      ASP   4   4.909  -6.796   4.770
   23    HB3  ASP   4           HB3      ASP   4   4.080  -7.049   6.303
   24    H    SER   5           H        SER   5   3.601  -3.092   6.037
   25    HA   SER   5           HA       SER   5   3.429  -3.539   8.794
   26    HB2  SER   5           HB2      SER   5   4.294  -1.465   7.530
   27    HB3  SER   5           HB3      SER   5   2.610  -0.943   7.500
   28    HG   SER   5           HG       SER   5   3.412  -0.089   9.338
   29    H    GLY   6           H        GLY   6   1.624  -1.894   9.927
   30    HA2  GLY   6           HA3      GLY   6  -0.899  -3.281   9.348
   31    HA3  GLY   6           HA2      GLY   6  -0.490  -2.478  10.857
   32    H    LEU   7           H        LEU   7   0.392  -0.377   8.198
   33    HA   LEU   7           HA       LEU   7  -2.193   1.123   8.578
   34    HB2  LEU   7           HB2      LEU   7   0.562   2.087   7.641
   35    HB3  LEU   7           HB3      LEU   7  -0.964   2.979   7.442
   36    HG   LEU   7           HG       LEU   7  -1.316   2.938   9.955
   37   HD11  LEU   7          HD11      LEU   7   0.150   1.004  10.591
   38   HD12  LEU   7          HD12      LEU   7   0.687   2.482  11.418
   39   HD13  LEU   7          HD13      LEU   7   1.587   1.885   9.995
   40   HD21  LEU   7          HD21      LEU   7   0.335   4.762  10.409
   41   HD22  LEU   7          HD22      LEU   7  -0.401   4.950   8.799
   42   HD23  LEU   7          HD23      LEU   7   1.257   4.298   8.948
   43    H    ARG   8           H        ARG   8  -3.642   0.711   6.774
   44    HA   ARG   8           HA       ARG   8  -2.521  -0.706   4.531
   45    HB2  ARG   8           HB2      ARG   8  -5.282   0.611   4.784
   46    HB3  ARG   8           HB3      ARG   8  -4.693  -0.227   3.332
   47    HG2  ARG   8           HG2      ARG   8  -6.059  -1.798   4.500
   48    HG3  ARG   8           HG3      ARG   8  -4.389  -2.360   4.660
   49    HD2  ARG   8           HD2      ARG   8  -4.267  -1.570   6.970
   50    HD3  ARG   8           HD3      ARG   8  -5.822  -0.758   6.901
   51    HE   ARG   8           HE       ARG   8  -5.252  -3.612   7.305
   52   HH11  ARG   8          HH11      ARG   8  -7.807  -1.373   6.057
   53   HH12  ARG   8          HH12      ARG   8  -9.065  -2.560   6.357
   54   HH21  ARG   8          HH21      ARG   8  -6.939  -5.040   7.625
   55   HH22  ARG   8          HH22      ARG   8  -8.595  -4.584   7.222
   56    H    GLU   9           H        GLU   9  -2.235   0.243   2.260
   57    HA   GLU   9           HA       GLU   9  -1.161   2.915   2.475
   58    HB2  GLU   9           HB2      GLU   9  -1.821   1.389  -0.111
   59    HB3  GLU   9           HB3      GLU   9  -0.940   2.933   0.015
   60    HG2  GLU   9           HG2      GLU   9   0.879   1.765   1.348
   61    HG3  GLU   9           HG3      GLU   9  -0.014   0.243   1.172
   62    H    SER  10           H        SER  10  -4.143   1.393   1.025
   63    HA   SER  10           HA       SER  10  -5.358   4.130   0.875
   64    HB2  SER  10           HB2      SER  10  -6.383   3.442  -1.303
   65    HB3  SER  10           HB3      SER  10  -4.607   3.502  -1.412
   66    HG   SER  10           HG       SER  10  -4.659   1.154  -1.268
   67    H    MET  11           H        MET  11  -7.819   3.933   0.607
   68    HA   MET  11           HA       MET  11  -8.673   2.412   2.907
   69    HB2  MET  11           HB2      MET  11 -10.304   3.847   0.748
   70    HB3  MET  11           HB3      MET  11 -10.991   3.222   2.264
   71    HG2  MET  11           HG2      MET  11  -8.744   5.364   2.280
   72    HG3  MET  11           HG3      MET  11 -10.474   5.747   2.185
   73    HE1  MET  11           HE1      MET  11  -8.453   3.200   5.139
   74    HE2  MET  11           HE2      MET  11  -7.554   4.519   4.309
   75    HE3  MET  11           HE3      MET  11  -8.203   4.764   5.960
   76    H    SER  12           H        SER  12  -8.929   1.872  -0.693
   77    HA   SER  12           HA       SER  12 -10.852  -0.284  -0.235
   78    HB2  SER  12           HB2      SER  12 -10.965   1.201  -2.221
   79    HB3  SER  12           HB3      SER  12  -9.436   0.520  -2.838
   80    HG   SER  12           HG       SER  12 -10.606  -1.575  -2.864
   81    H    SER  13           H        SER  13  -7.368  -0.173  -1.485
   82    HA   SER  13           HA       SER  13  -7.421  -3.029  -1.874
   83    HB2  SER  13           HB2      SER  13  -5.905  -1.480  -3.148
   84    HB3  SER  13           HB3      SER  13  -4.967  -1.221  -1.642
   85    HG   SER  13           HG       SER  13  -4.083  -3.002  -2.966
   86    H    GLN  14           H        GLN  14  -5.416  -4.373  -0.860
   87    HA   GLN  14           HA       GLN  14  -5.420  -3.903   2.112
   88    HB2  GLN  14           HB2      GLN  14  -5.450  -6.309   2.442
   89    HB3  GLN  14           HB3      GLN  14  -6.944  -5.780   1.638
   90    HG2  GLN  14           HG2      GLN  14  -4.601  -6.977   0.020
   91    HG3  GLN  14           HG3      GLN  14  -5.830  -7.978   0.826
   92   HE21  GLN  14          HE21      GLN  14  -6.120  -8.755  -1.505
   93   HE22  GLN  14          HE22      GLN  14  -7.245  -7.865  -2.460
   94    H    THR  15           H        THR  15  -3.514  -2.626   0.667
   95    HA   THR  15           HA       THR  15  -1.111  -4.365   1.199
   96    HB   THR  15           HB       THR  15  -1.335  -3.992  -1.217
   97    HG1  THR  15           HG1      THR  15   0.874  -3.134  -1.338
   98   HG21  THR  15          HG21      THR  15  -2.524  -1.762  -1.299
   99   HG22  THR  15          HG22      THR  15  -0.980  -1.665  -2.174
  100   HG23  THR  15          HG23      THR  15  -1.120  -0.987  -0.536
  101    H    TYR  16           H        TYR  16   0.897  -2.793   1.718
  102    HA   TYR  16           HA       TYR  16  -0.154  -0.624   3.514
  103    HB2  TYR  16           HB2      TYR  16   1.780  -2.832   4.379
  104    HB3  TYR  16           HB3      TYR  16   1.108  -1.561   5.405
  105    HD1  TYR  16           HD2      TYR  16   0.260  -4.617   3.353
  106    HD2  TYR  16           HD1      TYR  16  -1.096  -1.957   6.445
  107    HE1  TYR  16           HE2      TYR  16  -1.638  -6.118   3.827
  108    HE2  TYR  16           HE1      TYR  16  -2.818  -3.574   7.084
  109    HH   TYR  16           HH       TYR  16  -3.807  -5.713   6.618
  110    H    TRP  17           H        TRP  17   1.636   0.847   4.319
  111    HA   TRP  17           HA       TRP  17   3.604   1.207   2.161
  112    HB2  TRP  17           HB2      TRP  17   3.108   2.757   4.771
  113    HB3  TRP  17           HB3      TRP  17   4.355   3.214   3.603
  114    HD1  TRP  17           HD1      TRP  17   0.875   4.027   4.341
  115    HE1  TRP  17           HE1      TRP  17  -0.217   5.223   2.413
  116    HE3  TRP  17           HE3      TRP  17   4.351   3.043   0.602
  117    HZ2  TRP  17           HZ2      TRP  17   0.138   5.626  -0.263
  118    HZ3  TRP  17           HZ3      TRP  17   3.875   3.971  -1.664
  119    HH2  TRP  17           HH2      TRP  17   1.767   5.182  -2.112
  120    HA   PRO  18           HA       PRO  18   6.634  -1.117   4.633
  121    HB2  PRO  18           HB2      PRO  18   9.034  -0.264   3.601
  122    HB3  PRO  18           HB3      PRO  18   7.835  -1.061   2.534
  123    HG2  PRO  18           HG2      PRO  18   8.174   1.958   2.938
  124    HG3  PRO  18           HG3      PRO  18   8.286   1.090   1.377
  125    HD2  PRO  18           HD2      PRO  18   5.945   2.243   2.180
  126    HD3  PRO  18           HD3      PRO  18   5.867   0.615   1.403
  Start of MODEL    2
    1    H1   SER   1           H        SER   1   2.308  -0.322   0.124
    2    HA   SER   1           HA       SER   1   1.793  -0.040  -2.754
    3    HB2  SER   1           HB2      SER   1   4.049   0.940  -3.272
    4    HB3  SER   1           HB3      SER   1   3.008   2.086  -2.373
    5    HG   SER   1           HG       SER   1   5.196   1.887  -1.425
    6    H    ILE   2           H        ILE   2   4.813  -0.695  -0.802
    7    HA   ILE   2           HA       ILE   2   4.589  -3.569  -1.619
    8    HB   ILE   2           HB       ILE   2   7.071  -3.508  -2.196
    9   HG12  ILE   2          HG12      ILE   2   8.088  -1.376  -2.949
   10   HG13  ILE   2          HG13      ILE   2   6.660  -0.449  -2.437
   11   HG21  ILE   2          HG21      ILE   2   5.310  -3.658  -3.954
   12   HG22  ILE   2          HG22      ILE   2   5.231  -1.874  -4.037
   13   HG23  ILE   2          HG23      ILE   2   6.719  -2.731  -4.524
   14   HD11  ILE   2          HD11      ILE   2   7.178  -0.981  -0.035
   15   HD12  ILE   2          HD12      ILE   2   8.546  -2.017  -0.555
   16   HD13  ILE   2          HD13      ILE   2   8.587  -0.255  -0.837
   17    H    GLY   3           H        GLY   3   3.887  -2.308   0.893
   18    HA2  GLY   3           HA3      GLY   3   6.137  -3.363   2.596
   19    HA3  GLY   3           HA2      GLY   3   5.004  -2.073   3.047
   20    H    ASP   4           H        ASP   4   5.314  -4.421   4.586
   21    HA   ASP   4           HA       ASP   4   2.628  -5.593   4.267
   22    HB2  ASP   4           HB2      ASP   4   5.096  -6.916   4.297
   23    HB3  ASP   4           HB3      ASP   4   4.403  -7.205   5.891
   24    H    SER   5           H        SER   5   3.885  -3.263   5.877
   25    HA   SER   5           HA       SER   5   3.777  -3.870   8.605
   26    HB2  SER   5           HB2      SER   5   4.556  -1.702   7.347
   27    HB3  SER   5           HB3      SER   5   2.887  -1.190   7.595
   28    HG   SER   5           HG       SER   5   4.932  -1.298   9.365
   29    H    GLY   6           H        GLY   6   2.010  -2.304   9.886
   30    HA2  GLY   6           HA3      GLY   6  -0.528  -3.653   9.299
   31    HA3  GLY   6           HA2      GLY   6  -0.083  -2.917  10.832
   32    H    LEU   7           H        LEU   7   0.733  -0.733   8.244
   33    HA   LEU   7           HA       LEU   7  -1.791   0.819   8.765
   34    HB2  LEU   7           HB2      LEU   7   1.035   1.644   7.917
   35    HB3  LEU   7           HB3      LEU   7  -0.376   2.709   7.774
   36    HG   LEU   7           HG       LEU   7   1.034   3.161   9.783
   37   HD11  LEU   7          HD11      LEU   7  -1.828   2.327  10.568
   38   HD12  LEU   7          HD12      LEU   7  -1.382   3.844   9.736
   39   HD13  LEU   7          HD13      LEU   7  -0.781   3.513  11.381
   40   HD21  LEU   7          HD21      LEU   7   1.056   1.694  11.737
   41   HD22  LEU   7          HD22      LEU   7   1.643   0.755  10.335
   42   HD23  LEU   7          HD23      LEU   7  -0.022   0.516  10.953
   43    H    ARG   8           H        ARG   8  -3.223   0.044   7.051
   44    HA   ARG   8           HA       ARG   8  -2.184  -0.887   4.618
   45    HB2  ARG   8           HB2      ARG   8  -4.942   0.308   5.189
   46    HB3  ARG   8           HB3      ARG   8  -4.483  -0.335   3.591
   47    HG2  ARG   8           HG2      ARG   8  -4.031  -2.571   4.510
   48    HG3  ARG   8           HG3      ARG   8  -4.344  -1.992   6.168
   49    HD2  ARG   8           HD2      ARG   8  -6.422  -1.922   3.912
   50    HD3  ARG   8           HD3      ARG   8  -6.324  -3.283   5.007
   51    HE   ARG   8           HE       ARG   8  -7.445  -0.620   5.527
   52   HH11  ARG   8          HH11      ARG   8  -5.904  -3.444   7.196
   53   HH12  ARG   8          HH12      ARG   8  -6.669  -3.028   8.719
   54   HH21  ARG   8          HH21      ARG   8  -8.351  -0.193   7.532
   55   HH22  ARG   8          HH22      ARG   8  -8.019  -1.239   8.914
   56    H    GLU   9           H        GLU   9  -2.069   0.190   2.409
   57    HA   GLU   9           HA       GLU   9  -1.007   2.856   2.756
   58    HB2  GLU   9           HB2      GLU   9  -1.711   1.512   0.084
   59    HB3  GLU   9           HB3      GLU   9  -0.811   3.031   0.318
   60    HG2  GLU   9           HG2      GLU   9   1.022   1.760   1.503
   61    HG3  GLU   9           HG3      GLU   9   0.111   0.255   1.257
   62    H    SER  10           H        SER  10  -3.961   1.396   1.135
   63    HA   SER  10           HA       SER  10  -5.254   4.106   1.320
   64    HB2  SER  10           HB2      SER  10  -6.358   3.497  -0.850
   65    HB3  SER  10           HB3      SER  10  -4.571   3.559  -0.999
   66    HG   SER  10           HG       SER  10  -5.456   1.568  -1.928
   67    H    MET  11           H        MET  11  -7.670   3.963   1.369
   68    HA   MET  11           HA       MET  11  -8.406   2.163   3.440
   69    HB2  MET  11           HB2      MET  11 -10.665   3.054   3.268
   70    HB3  MET  11           HB3      MET  11  -9.494   4.382   3.057
   71    HG2  MET  11           HG2      MET  11  -9.877   4.197   0.504
   72    HG3  MET  11           HG3      MET  11 -11.160   2.995   0.850
   73    HE1  MET  11           HE1      MET  11 -13.096   6.372  -0.064
   74    HE2  MET  11           HE2      MET  11 -11.616   5.675  -0.797
   75    HE3  MET  11           HE3      MET  11 -13.011   4.613  -0.405
   76    H    SER  12           H        SER  12  -8.765   1.897  -0.167
   77    HA   SER  12           HA       SER  12 -10.718  -0.272   0.168
   78    HB2  SER  12           HB2      SER  12 -10.919   1.380  -1.662
   79    HB3  SER  12           HB3      SER  12  -9.390   0.782  -2.381
   80    HG   SER  12           HG       SER  12 -11.307  -0.333  -3.262
   81    H    SER  13           H        SER  13  -7.283  -0.020  -1.163
   82    HA   SER  13           HA       SER  13  -7.319  -2.849  -1.780
   83    HB2  SER  13           HB2      SER  13  -5.925  -1.183  -3.035
   84    HB3  SER  13           HB3      SER  13  -4.892  -0.996  -1.580
   85    HG   SER  13           HG       SER  13  -4.081  -2.683  -3.088
   86    H    GLN  14           H        GLN  14  -5.241  -4.210  -0.967
   87    HA   GLN  14           HA       GLN  14  -5.218  -4.034   2.049
   88    HB2  GLN  14           HB2      GLN  14  -5.189  -6.534   0.260
   89    HB3  GLN  14           HB3      GLN  14  -5.205  -6.492   2.048
   90    HG2  GLN  14           HG2      GLN  14  -7.499  -5.471   1.991
   91    HG3  GLN  14           HG3      GLN  14  -7.441  -5.413   0.208
   92   HE21  GLN  14          HE21      GLN  14  -9.224  -6.944  -0.198
   93   HE22  GLN  14          HE22      GLN  14  -9.097  -8.593   0.283
   94    H    THR  15           H        THR  15  -3.304  -2.555   0.763
   95    HA   THR  15           HA       THR  15  -0.869  -4.310   1.072
   96    HB   THR  15           HB       THR  15  -1.027  -3.759  -1.305
   97    HG1  THR  15           HG1      THR  15   1.069  -2.661  -1.318
   98   HG21  THR  15          HG21      THR  15  -1.287  -0.839  -0.364
   99   HG22  THR  15          HG22      THR  15  -2.457  -1.752  -1.347
  100   HG23  THR  15          HG23      THR  15  -0.880  -1.299  -2.038
  101    H    TYR  16           H        TYR  16   1.115  -2.784   1.701
  102    HA   TYR  16           HA       TYR  16   0.080  -0.693   3.591
  103    HB2  TYR  16           HB2      TYR  16   1.984  -2.968   4.338
  104    HB3  TYR  16           HB3      TYR  16   1.369  -1.716   5.426
  105    HD1  TYR  16           HD1      TYR  16   0.392  -4.672   3.291
  106    HD2  TYR  16           HD2      TYR  16  -0.786  -2.109   6.527
  107    HE1  TYR  16           HE1      TYR  16  -1.612  -6.047   3.647
  108    HE2  TYR  16           HE2      TYR  16  -2.679  -3.605   7.021
  109    HH   TYR  16           HH       TYR  16  -3.608  -6.350   4.930
  110    H    TRP  17           H        TRP  17   1.889   0.720   4.455
  111    HA   TRP  17           HA       TRP  17   3.794   1.218   2.262
  112    HB2  TRP  17           HB2      TRP  17   3.323   2.629   4.950
  113    HB3  TRP  17           HB3      TRP  17   4.546   3.162   3.787
  114    HD1  TRP  17           HD1      TRP  17   1.053   3.862   4.607
  115    HE1  TRP  17           HE1      TRP  17  -0.076   5.151   2.757
  116    HE3  TRP  17           HE3      TRP  17   4.511   3.151   0.791
  117    HZ2  TRP  17           HZ2      TRP  17   0.256   5.724   0.113
  118    HZ3  TRP  17           HZ3      TRP  17   4.013   4.223  -1.407
  119    HH2  TRP  17           HH2      TRP  17   1.886   5.429  -1.767
  120    HA   PRO  18           HA       PRO  18   6.905  -1.205   4.493
  121    HB2  PRO  18           HB2      PRO  18   9.273  -0.261   3.461
  122    HB3  PRO  18           HB3      PRO  18   8.050  -0.995   2.374
  123    HG2  PRO  18           HG2      PRO  18   8.384   1.988   2.981
  124    HG3  PRO  18           HG3      PRO  18   8.449   1.227   1.357
  125    HD2  PRO  18           HD2      PRO  18   6.125   2.309   2.304
  126    HD3  PRO  18           HD3      PRO  18   6.045   0.737   1.414
  Start of MODEL    3
    1    H1   SER   1           H        SER   1   2.144  -0.334   0.120
    2    HA   SER   1           HA       SER   1   1.683   0.039  -2.738
    3    HB2  SER   1           HB2      SER   1   3.994   0.946  -3.234
    4    HB3  SER   1           HB3      SER   1   2.948   2.116  -2.384
    5    HG   SER   1           HG       SER   1   4.100   1.493  -0.417
    6    H    ILE   2           H        ILE   2   4.745  -0.744  -0.882
    7    HA   ILE   2           HA       ILE   2   4.388  -3.599  -1.722
    8    HB   ILE   2           HB       ILE   2   6.864  -3.624  -2.262
    9   HG12  ILE   2          HG12      ILE   2   8.021  -1.538  -2.898
   10   HG13  ILE   2          HG13      ILE   2   6.637  -0.542  -2.401
   11   HG21  ILE   2          HG21      ILE   2   6.589  -2.713  -4.567
   12   HG22  ILE   2          HG22      ILE   2   5.134  -3.606  -4.060
   13   HG23  ILE   2          HG23      ILE   2   5.130  -1.819  -4.054
   14   HD11  ILE   2          HD11      ILE   2   7.049  -1.166  -0.001
   15   HD12  ILE   2          HD12      ILE   2   8.361  -2.278  -0.509
   16   HD13  ILE   2          HD13      ILE   2   8.527  -0.517  -0.740
   17    H    GLY   3           H        GLY   3   3.782  -2.242   0.856
   18    HA2  GLY   3           HA3      GLY   3   5.981  -3.443   2.518
   19    HA3  GLY   3           HA2      GLY   3   4.855  -2.161   3.010
   20    H    ASP   4           H        ASP   4   5.128  -4.548   4.487
   21    HA   ASP   4           HA       ASP   4   2.425  -5.667   4.121
   22    HB2  ASP   4           HB2      ASP   4   5.026  -6.965   4.728
   23    HB3  ASP   4           HB3      ASP   4   3.614  -7.586   5.579
   24    H    SER   5           H        SER   5   3.707  -3.395   5.792
   25    HA   SER   5           HA       SER   5   3.570  -4.063   8.505
   26    HB2  SER   5           HB2      SER   5   4.300  -1.841   7.193
   27    HB3  SER   5           HB3      SER   5   2.683  -1.343   7.692
   28    HG   SER   5           HG       SER   5   3.487  -1.013   9.592
   29    H    GLY   6           H        GLY   6   1.819  -2.502   9.811
   30    HA2  GLY   6           HA3      GLY   6  -0.736  -3.794   9.175
   31    HA3  GLY   6           HA2      GLY   6  -0.290  -3.101  10.727
   32    H    LEU   7           H        LEU   7   0.558  -0.895   8.161
   33    HA   LEU   7           HA       LEU   7  -1.934   0.699   8.701
   34    HB2  LEU   7           HB2      LEU   7   0.936   1.451   7.925
   35    HB3  LEU   7           HB3      LEU   7  -0.413   2.600   7.834
   36    HG   LEU   7           HG       LEU   7   0.184   1.126  10.461
   37   HD11  LEU   7          HD11      LEU   7   1.594   3.092  11.160
   38   HD12  LEU   7          HD12      LEU   7   1.506   3.742   9.496
   39   HD13  LEU   7          HD13      LEU   7   2.337   2.190   9.815
   40   HD21  LEU   7          HD21      LEU   7  -1.081   3.886   9.860
   41   HD22  LEU   7          HD22      LEU   7  -0.897   3.150  11.476
   42   HD23  LEU   7          HD23      LEU   7  -2.008   2.423  10.293
   43    H    ARG   8           H        ARG   8  -3.324  -0.121   6.962
   44    HA   ARG   8           HA       ARG   8  -2.303  -0.892   4.479
   45    HB2  ARG   8           HB2      ARG   8  -5.060   0.246   5.175
   46    HB3  ARG   8           HB3      ARG   8  -4.625  -0.219   3.508
   47    HG2  ARG   8           HG2      ARG   8  -4.154  -2.529   4.152
   48    HG3  ARG   8           HG3      ARG   8  -4.397  -2.147   5.879
   49    HD2  ARG   8           HD2      ARG   8  -6.668  -1.602   3.919
   50    HD3  ARG   8           HD3      ARG   8  -6.412  -3.269   4.376
   51    HE   ARG   8           HE       ARG   8  -7.531  -1.136   6.027
   52   HH11  ARG   8          HH11      ARG   8  -5.619  -4.200   6.243
   53   HH12  ARG   8          HH12      ARG   8  -6.183  -4.510   7.875
   54   HH21  ARG   8          HH21      ARG   8  -8.177  -1.637   8.123
   55   HH22  ARG   8          HH22      ARG   8  -7.593  -3.098   8.922
   56    H    GLU   9           H        GLU   9  -2.196   0.268   2.336
   57    HA   GLU   9           HA       GLU   9  -1.091   2.898   2.778
   58    HB2  GLU   9           HB2      GLU   9  -1.773   1.578   0.085
   59    HB3  GLU   9           HB3      GLU   9  -0.898   3.115   0.318
   60    HG2  GLU   9           HG2      GLU   9   0.946   1.869   1.524
   61    HG3  GLU   9           HG3      GLU   9   0.046   0.357   1.278
   62    H    SER  10           H        SER  10  -4.069   1.535   1.107
   63    HA   SER  10           HA       SER  10  -5.320   4.254   1.397
   64    HB2  SER  10           HB2      SER  10  -6.377   3.807  -0.823
   65    HB3  SER  10           HB3      SER  10  -4.585   3.838  -0.943
   66    HG   SER  10           HG       SER  10  -5.492   1.929  -2.008
   67    H    MET  11           H        MET  11  -7.707   4.176   1.454
   68    HA   MET  11           HA       MET  11  -8.554   2.261   3.338
   69    HB2  MET  11           HB2      MET  11 -10.851   3.097   3.035
   70    HB3  MET  11           HB3      MET  11  -9.678   4.436   3.153
   71    HG2  MET  11           HG2      MET  11  -9.807   4.772   0.649
   72    HG3  MET  11           HG3      MET  11 -10.982   3.427   0.531
   73    HE1  MET  11           HE1      MET  11 -11.121   7.000   0.040
   74    HE2  MET  11           HE2      MET  11 -12.072   5.719  -0.788
   75    HE3  MET  11           HE3      MET  11 -12.911   7.003   0.143
   76    H    SER  12           H        SER  12  -8.870   2.181  -0.294
   77    HA   SER  12           HA       SER  12 -10.787  -0.029  -0.076
   78    HB2  SER  12           HB2      SER  12 -10.937   1.651  -1.890
   79    HB3  SER  12           HB3      SER  12  -9.392   1.083  -2.577
   80    HG   SER  12           HG       SER  12 -10.503  -1.027  -2.837
   81    H    SER  13           H        SER  13  -7.331   0.301  -1.318
   82    HA   SER  13           HA       SER  13  -7.284  -2.489  -2.010
   83    HB2  SER  13           HB2      SER  13  -5.806  -0.711  -3.079
   84    HB3  SER  13           HB3      SER  13  -4.898  -0.628  -1.545
   85    HG   SER  13           HG       SER  13  -5.092  -2.950  -3.239
   86    H    GLN  14           H        GLN  14  -5.474  -4.022  -1.105
   87    HA   GLN  14           HA       GLN  14  -5.379  -3.800   1.902
   88    HB2  GLN  14           HB2      GLN  14  -6.991  -5.508   0.928
   89    HB3  GLN  14           HB3      GLN  14  -5.608  -6.300   0.126
   90    HG2  GLN  14           HG2      GLN  14  -4.547  -6.623   2.446
   91    HG3  GLN  14           HG3      GLN  14  -6.039  -5.964   3.168
   92   HE21  GLN  14          HE21      GLN  14  -5.019  -8.701   3.649
   93   HE22  GLN  14          HE22      GLN  14  -6.210  -9.768   3.002
   94    H    THR  15           H        THR  15  -3.431  -2.424   0.985
   95    HA   THR  15           HA       THR  15  -1.066  -4.256   0.981
   96    HB   THR  15           HB       THR  15  -1.683  -3.692  -1.397
   97    HG1  THR  15           HG1      THR  15   0.829  -2.576  -0.614
   98   HG21  THR  15          HG21      THR  15  -0.989  -0.797  -0.612
   99   HG22  THR  15          HG22      THR  15  -2.611  -1.375  -1.064
  100   HG23  THR  15          HG23      THR  15  -1.290  -1.388  -2.265
  101    H    TYR  16           H        TYR  16   0.989  -2.887   1.725
  102    HA   TYR  16           HA       TYR  16  -0.032  -0.706   3.543
  103    HB2  TYR  16           HB2      TYR  16   1.841  -3.004   4.273
  104    HB3  TYR  16           HB3      TYR  16   1.206  -1.771   5.375
  105    HD1  TYR  16           HD2      TYR  16   0.258  -4.691   3.158
  106    HD2  TYR  16           HD1      TYR  16  -0.985  -2.173   6.410
  107    HE1  TYR  16           HE2      TYR  16  -1.746  -6.086   3.485
  108    HE2  TYR  16           HE1      TYR  16  -2.822  -3.725   6.913
  109    HH   TYR  16           HH       TYR  16  -3.765  -5.908   6.358
  110    H    TRP  17           H        TRP  17   1.758   0.702   4.433
  111    HA   TRP  17           HA       TRP  17   3.717   1.216   2.298
  112    HB2  TRP  17           HB2      TRP  17   3.256   2.543   5.037
  113    HB3  TRP  17           HB3      TRP  17   4.503   3.082   3.898
  114    HD1  TRP  17           HD1      TRP  17   0.967   3.770   4.686
  115    HE1  TRP  17           HE1      TRP  17  -0.115   5.137   2.864
  116    HE3  TRP  17           HE3      TRP  17   4.615   3.402   1.010
  117    HZ2  TRP  17           HZ2      TRP  17   0.266   5.776   0.234
  118    HZ3  TRP  17           HZ3      TRP  17   4.082   4.363  -1.231
  119    HH2  TRP  17           HH2      TRP  17   1.929   5.520  -1.623
  120    HA   PRO  18           HA       PRO  18   6.711  -1.400   4.508
  121    HB2  PRO  18           HB2      PRO  18   9.129  -0.484   3.579
  122    HB3  PRO  18           HB3      PRO  18   7.923  -1.165   2.440
  123    HG2  PRO  18           HG2      PRO  18   8.312   1.797   3.124
  124    HG3  PRO  18           HG3      PRO  18   8.400   1.068   1.487
  125    HD2  PRO  18           HD2      PRO  18   6.076   2.189   2.394
  126    HD3  PRO  18           HD3      PRO  18   5.983   0.635   1.476
  Start of MODEL    4
    1    H1   SER   1           H        SER   1   2.105  -0.381   0.125
    2    HA   SER   1           HA       SER   1   1.644  -0.027  -2.736
    3    HB2  SER   1           HB2      SER   1   3.924   0.953  -3.218
    4    HB3  SER   1           HB3      SER   1   2.844   2.098  -2.380
    5    HG   SER   1           HG       SER   1   3.997   1.497  -0.398
    6    H    ILE   2           H        ILE   2   4.704  -0.714  -0.838
    7    HA   ILE   2           HA       ILE   2   4.432  -3.580  -1.655
    8    HB   ILE   2           HB       ILE   2   6.911  -3.545  -2.219
    9   HG12  ILE   2          HG12      ILE   2   7.979  -1.428  -2.922
   10   HG13  ILE   2          HG13      ILE   2   6.566  -0.477  -2.417
   11   HG21  ILE   2          HG21      ILE   2   6.585  -2.711  -4.538
   12   HG22  ILE   2          HG22      ILE   2   5.162  -3.631  -3.993
   13   HG23  ILE   2          HG23      ILE   2   5.106  -1.846  -4.039
   14   HD11  ILE   2          HD11      ILE   2   8.392  -2.108  -0.531
   15   HD12  ILE   2          HD12      ILE   2   8.479  -0.346  -0.791
   16   HD13  ILE   2          HD13      ILE   2   7.044  -1.045  -0.016
   17    H    GLY   3           H        GLY   3   3.780  -2.260   0.892
   18    HA2  GLY   3           HA3      GLY   3   6.024  -3.358   2.571
   19    HA3  GLY   3           HA2      GLY   3   4.883  -2.081   3.039
   20    H    ASP   4           H        ASP   4   5.208  -4.445   4.562
   21    HA   ASP   4           HA       ASP   4   2.516  -5.605   4.240
   22    HB2  ASP   4           HB2      ASP   4   5.018  -6.920   4.321
   23    HB3  ASP   4           HB3      ASP   4   4.217  -7.269   5.850
   24    H    SER   5           H        SER   5   3.787  -3.292   5.864
   25    HA   SER   5           HA       SER   5   3.683  -3.920   8.588
   26    HB2  SER   5           HB2      SER   5   4.124  -1.620   7.056
   27    HB3  SER   5           HB3      SER   5   2.729  -1.232   8.063
   28    HG   SER   5           HG       SER   5   4.540  -0.737   9.238
   29    H    GLY   6           H        GLY   6   1.926  -2.359   9.887
   30    HA2  GLY   6           HA3      GLY   6  -0.620  -3.690   9.293
   31    HA3  GLY   6           HA2      GLY   6  -0.167  -2.970  10.831
   32    H    LEU   7           H        LEU   7   0.593  -0.817   8.171
   33    HA   LEU   7           HA       LEU   7  -1.854   0.808   8.800
   34    HB2  LEU   7           HB2      LEU   7   1.031   1.502   8.034
   35    HB3  LEU   7           HB3      LEU   7  -0.286   2.657   7.792
   36    HG   LEU   7           HG       LEU   7   0.080   1.383  10.548
   37   HD11  LEU   7          HD11      LEU   7   1.566   3.313  11.201
   38   HD12  LEU   7          HD12      LEU   7   1.650   3.814   9.485
   39   HD13  LEU   7          HD13      LEU   7   2.337   2.244  10.001
   40   HD21  LEU   7          HD21      LEU   7  -1.996   2.806  10.070
   41   HD22  LEU   7          HD22      LEU   7  -0.928   4.171   9.651
   42   HD23  LEU   7          HD23      LEU   7  -0.953   3.532  11.316
   43    H    ARG   8           H        ARG   8  -3.287  -0.026   7.095
   44    HA   ARG   8           HA       ARG   8  -2.283  -0.857   4.638
   45    HB2  ARG   8           HB2      ARG   8  -5.041   0.303   5.274
   46    HB3  ARG   8           HB3      ARG   8  -4.589  -0.238   3.635
   47    HG2  ARG   8           HG2      ARG   8  -4.124  -2.512   4.391
   48    HG3  ARG   8           HG3      ARG   8  -4.418  -2.060   6.089
   49    HD2  ARG   8           HD2      ARG   8  -6.676  -1.487   4.154
   50    HD3  ARG   8           HD3      ARG   8  -6.386  -3.187   4.420
   51    HE   ARG   8           HE       ARG   8  -7.561  -1.295   6.289
   52   HH11  ARG   8          HH11      ARG   8  -5.512  -4.268   6.181
   53   HH12  ARG   8          HH12      ARG   8  -6.056  -4.779   7.770
   54   HH21  ARG   8          HH21      ARG   8  -8.178  -2.043   8.322
   55   HH22  ARG   8          HH22      ARG   8  -7.524  -3.553   8.962
   56    H    GLU   9           H        GLU   9  -2.113   0.252   2.477
   57    HA   GLU   9           HA       GLU   9  -1.042   2.898   2.857
   58    HB2  GLU   9           HB2      GLU   9  -1.814   1.588   0.179
   59    HB3  GLU   9           HB3      GLU   9  -0.890   3.097   0.395
   60    HG2  GLU   9           HG2      GLU   9   0.953   1.806   1.532
   61    HG3  GLU   9           HG3      GLU   9   0.017   0.312   1.308
   62    H    SER  10           H        SER  10  -4.049   1.463   1.399
   63    HA   SER  10           HA       SER  10  -5.312   4.200   1.418
   64    HB2  SER  10           HB2      SER  10  -6.452   3.294  -0.717
   65    HB3  SER  10           HB3      SER  10  -4.683   3.488  -0.870
   66    HG   SER  10           HG       SER  10  -5.925   0.983  -0.230
   67    H    MET  11           H        MET  11  -7.796   3.929   1.280
   68    HA   MET  11           HA       MET  11  -8.560   2.211   3.484
   69    HB2  MET  11           HB2      MET  11 -10.861   2.975   3.151
   70    HB3  MET  11           HB3      MET  11  -9.736   4.339   3.327
   71    HG2  MET  11           HG2      MET  11 -10.607   3.419   0.521
   72    HG3  MET  11           HG3      MET  11 -11.657   4.463   1.503
   73    HE1  MET  11           HE1      MET  11 -11.038   5.624  -1.164
   74    HE2  MET  11           HE2      MET  11  -9.552   6.618  -1.336
   75    HE3  MET  11           HE3      MET  11  -9.438   4.828  -1.372
   76    H    SER  12           H        SER  12  -8.761   1.894  -0.142
   77    HA   SER  12           HA       SER  12 -10.760  -0.255   0.218
   78    HB2  SER  12           HB2      SER  12 -11.107   1.400  -1.568
   79    HB3  SER  12           HB3      SER  12  -9.578   0.931  -2.344
   80    HG   SER  12           HG       SER  12 -11.805  -0.845  -1.971
   81    H    SER  13           H        SER  13  -7.540  -0.034  -1.583
   82    HA   SER  13           HA       SER  13  -7.428  -2.837  -1.906
   83    HB2  SER  13           HB2      SER  13  -6.056  -1.225  -3.247
   84    HB3  SER  13           HB3      SER  13  -5.045  -0.910  -1.799
   85    HG   SER  13           HG       SER  13  -4.148  -2.643  -3.180
   86    H    GLN  14           H        GLN  14  -5.371  -4.153  -1.098
   87    HA   GLN  14           HA       GLN  14  -5.375  -3.994   1.923
   88    HB2  GLN  14           HB2      GLN  14  -5.398  -6.394   0.005
   89    HB3  GLN  14           HB3      GLN  14  -5.278  -6.502   1.783
   90    HG2  GLN  14           HG2      GLN  14  -7.562  -5.754   2.089
   91    HG3  GLN  14           HG3      GLN  14  -7.652  -5.070   0.450
   92   HE21  GLN  14          HE21      GLN  14  -6.803  -8.416   1.803
   93   HE22  GLN  14          HE22      GLN  14  -7.834  -9.223   0.683
   94    H    THR  15           H        THR  15  -3.423  -2.476   0.867
   95    HA   THR  15           HA       THR  15  -1.006  -4.250   1.114
   96    HB   THR  15           HB       THR  15  -1.198  -3.725  -1.276
   97    HG1  THR  15           HG1      THR  15   0.919  -2.677  -1.339
   98   HG21  THR  15          HG21      THR  15  -1.344  -0.783  -0.380
   99   HG22  THR  15          HG22      THR  15  -2.593  -1.684  -1.280
  100   HG23  THR  15          HG23      THR  15  -1.037  -1.299  -2.060
  101    H    TYR  16           H        TYR  16   1.006  -2.726   1.698
  102    HA   TYR  16           HA       TYR  16  -0.009  -0.646   3.618
  103    HB2  TYR  16           HB2      TYR  16   1.913  -2.913   4.322
  104    HB3  TYR  16           HB3      TYR  16   1.279  -1.689   5.432
  105    HD1  TYR  16           HD2      TYR  16   0.353  -4.628   3.252
  106    HD2  TYR  16           HD1      TYR  16  -0.912  -2.094   6.479
  107    HE1  TYR  16           HE2      TYR  16  -1.581  -6.102   3.664
  108    HE2  TYR  16           HE1      TYR  16  -2.729  -3.658   7.010
  109    HH   TYR  16           HH       TYR  16  -3.591  -5.891   6.549
  110    H    TRP  17           H        TRP  17   1.792   0.789   4.454
  111    HA   TRP  17           HA       TRP  17   3.713   1.291   2.282
  112    HB2  TRP  17           HB2      TRP  17   3.271   2.654   5.005
  113    HB3  TRP  17           HB3      TRP  17   4.496   3.191   3.845
  114    HD1  TRP  17           HD1      TRP  17   0.971   3.861   4.665
  115    HE1  TRP  17           HE1      TRP  17  -0.154   5.174   2.828
  116    HE3  TRP  17           HE3      TRP  17   4.567   3.449   0.945
  117    HZ2  TRP  17           HZ2      TRP  17   0.179   5.753   0.178
  118    HZ3  TRP  17           HZ3      TRP  17   3.990   4.352  -1.309
  119    HH2  TRP  17           HH2      TRP  17   1.817   5.472  -1.696
  120    HA   PRO  18           HA       PRO  18   6.767  -1.259   4.471
  121    HB2  PRO  18           HB2      PRO  18   9.166  -0.317   3.517
  122    HB3  PRO  18           HB3      PRO  18   7.959  -1.019   2.392
  123    HG2  PRO  18           HG2      PRO  18   8.314   1.950   3.055
  124    HG3  PRO  18           HG3      PRO  18   8.398   1.214   1.422
  125    HD2  PRO  18           HD2      PRO  18   6.072   2.310   2.346
  126    HD3  PRO  18           HD3      PRO  18   5.983   0.752   1.436
  Start of MODEL    5
    1    H1   SER   1           H        SER   1   2.249  -0.344   0.221
    2    HA   SER   1           HA       SER   1   1.733  -0.015  -2.647
    3    HB2  SER   1           HB2      SER   1   4.015   0.910  -3.168
    4    HB3  SER   1           HB3      SER   1   3.009   2.077  -2.259
    5    HG   SER   1           HG       SER   1   5.191   1.818  -1.316
    6    H    ILE   2           H        ILE   2   4.769  -0.758  -0.761
    7    HA   ILE   2           HA       ILE   2   4.464  -3.621  -1.607
    8    HB   ILE   2           HB       ILE   2   6.929  -3.625  -2.184
    9   HG12  ILE   2          HG12      ILE   2   8.044  -1.519  -2.854
   10   HG13  ILE   2          HG13      ILE   2   6.657  -0.544  -2.323
   11   HG21  ILE   2          HG21      ILE   2   5.174  -3.636  -3.949
   12   HG22  ILE   2          HG22      ILE   2   5.162  -1.848  -3.966
   13   HG23  ILE   2          HG23      ILE   2   6.617  -2.742  -4.486
   14   HD11  ILE   2          HD11      ILE   2   8.585  -0.493  -0.708
   15   HD12  ILE   2          HD12      ILE   2   7.133  -1.164   0.064
   16   HD13  ILE   2          HD13      ILE   2   8.448  -2.258  -0.477
   17    H    GLY   3           H        GLY   3   3.852  -2.286   0.961
   18    HA2  GLY   3           HA3      GLY   3   6.070  -3.466   2.615
   19    HA3  GLY   3           HA2      GLY   3   4.951  -2.181   3.111
   20    H    ASP   4           H        ASP   4   5.234  -4.587   4.568
   21    HA   ASP   4           HA       ASP   4   2.528  -5.703   4.218
   22    HB2  ASP   4           HB2      ASP   4   5.122  -7.007   4.656
   23    HB3  ASP   4           HB3      ASP   4   3.849  -7.568   5.736
   24    H    SER   5           H        SER   5   3.825  -3.434   5.884
   25    HA   SER   5           HA       SER   5   3.701  -4.103   8.597
   26    HB2  SER   5           HB2      SER   5   4.299  -1.830   7.173
   27    HB3  SER   5           HB3      SER   5   2.788  -1.383   7.966
   28    HG   SER   5           HG       SER   5   5.247  -1.589   9.018
   29    H    GLY   6           H        GLY   6   1.961  -2.535   9.912
   30    HA2  GLY   6           HA3      GLY   6  -0.601  -3.822   9.289
   31    HA3  GLY   6           HA2      GLY   6  -0.145  -3.131  10.839
   32    H    LEU   7           H        LEU   7   0.662  -0.925   8.226
   33    HA   LEU   7           HA       LEU   7  -1.770   0.671   8.929
   34    HB2  LEU   7           HB2      LEU   7   0.602   1.393   9.653
   35    HB3  LEU   7           HB3      LEU   7   0.967   1.622   7.936
   36    HG   LEU   7           HG       LEU   7   0.435   3.763   8.886
   37   HD11  LEU   7          HD11      LEU   7  -0.586   3.337   6.607
   38   HD12  LEU   7          HD12      LEU   7  -1.463   4.571   7.553
   39   HD13  LEU   7          HD13      LEU   7  -2.135   2.926   7.414
   40   HD21  LEU   7          HD21      LEU   7  -2.247   2.718   9.988
   41   HD22  LEU   7          HD22      LEU   7  -1.570   4.356  10.143
   42   HD23  LEU   7          HD23      LEU   7  -0.765   2.985  10.949
   43    H    ARG   8           H        ARG   8  -3.202  -0.051   7.153
   44    HA   ARG   8           HA       ARG   8  -2.185  -0.829   4.676
   45    HB2  ARG   8           HB2      ARG   8  -4.953   0.273   5.368
   46    HB3  ARG   8           HB3      ARG   8  -4.518  -0.198   3.706
   47    HG2  ARG   8           HG2      ARG   8  -3.997  -2.493   4.371
   48    HG3  ARG   8           HG3      ARG   8  -4.254  -2.097   6.092
   49    HD2  ARG   8           HD2      ARG   8  -6.506  -1.671   4.075
   50    HD3  ARG   8           HD3      ARG   8  -6.236  -3.296   4.661
   51    HE   ARG   8           HE       ARG   8  -7.406  -1.054   6.127
   52   HH11  ARG   8          HH11      ARG   8  -5.489  -4.090   6.611
   53   HH12  ARG   8          HH12      ARG   8  -6.091  -4.274   8.250
   54   HH21  ARG   8          HH21      ARG   8  -8.091  -1.397   8.239
   55   HH22  ARG   8          HH22      ARG   8  -7.522  -2.793   9.157
   56    H    GLU   9           H        GLU   9  -2.046   0.265   2.526
   57    HA   GLU   9           HA       GLU   9  -0.976   2.917   2.900
   58    HB2  GLU   9           HB2      GLU   9  -1.713   1.604   0.223
   59    HB3  GLU   9           HB3      GLU   9  -0.773   3.099   0.456
   60    HG2  GLU   9           HG2      GLU   9   1.036   1.782   1.628
   61    HG3  GLU   9           HG3      GLU   9   0.096   0.298   1.377
   62    H    SER  10           H        SER  10  -4.011   1.501   1.444
   63    HA   SER  10           HA       SER  10  -5.250   4.218   1.653
   64    HB2  SER  10           HB2      SER  10  -6.336   3.841  -0.559
   65    HB3  SER  10           HB3      SER  10  -4.561   3.914  -0.730
   66    HG   SER  10           HG       SER  10  -4.628   1.559  -0.878
   67    H    MET  11           H        MET  11  -7.656   4.126   1.664
   68    HA   MET  11           HA       MET  11  -8.451   2.208   3.561
   69    HB2  MET  11           HB2      MET  11 -10.743   3.035   3.317
   70    HB3  MET  11           HB3      MET  11  -9.594   4.399   3.297
   71    HG2  MET  11           HG2      MET  11  -9.828   4.516   0.758
   72    HG3  MET  11           HG3      MET  11 -11.023   3.182   0.836
   73    HE1  MET  11           HE1      MET  11 -12.586   4.942  -0.525
   74    HE2  MET  11           HE2      MET  11 -13.188   6.475   0.187
   75    HE3  MET  11           HE3      MET  11 -11.473   6.337  -0.320
   76    H    SER  12           H        SER  12  -8.765   2.124  -0.057
   77    HA   SER  12           HA       SER  12 -10.626  -0.121   0.146
   78    HB2  SER  12           HB2      SER  12 -10.682  -0.166  -2.261
   79    HB3  SER  12           HB3      SER  12 -10.861   1.520  -1.707
   80    HG   SER  12           HG       SER  12  -8.596   1.794  -2.388
   81    H    SER  13           H        SER  13  -7.170   0.219  -1.108
   82    HA   SER  13           HA       SER  13  -7.197  -2.564  -1.862
   83    HB2  SER  13           HB2      SER  13  -5.734  -0.749  -2.939
   84    HB3  SER  13           HB3      SER  13  -4.737  -0.800  -1.459
   85    HG   SER  13           HG       SER  13  -5.144  -3.008  -3.263
   86    H    GLN  14           H        GLN  14  -5.186  -4.029  -1.064
   87    HA   GLN  14           HA       GLN  14  -5.227  -3.996   1.953
   88    HB2  GLN  14           HB2      GLN  14  -5.173  -6.378   0.011
   89    HB3  GLN  14           HB3      GLN  14  -5.215  -6.469   1.794
   90    HG2  GLN  14           HG2      GLN  14  -7.495  -5.428   1.801
   91    HG3  GLN  14           HG3      GLN  14  -7.434  -5.224   0.032
   92   HE21  GLN  14          HE21      GLN  14  -7.178  -7.862   2.588
   93   HE22  GLN  14          HE22      GLN  14  -7.900  -9.065   1.586
   94    H    THR  15           H        THR  15  -3.270  -2.470   0.674
   95    HA   THR  15           HA       THR  15  -0.843  -4.236   0.990
   96    HB   THR  15           HB       THR  15  -1.006  -3.574  -1.389
   97    HG1  THR  15           HG1      THR  15   1.144  -3.483  -0.458
   98   HG21  THR  15          HG21      THR  15  -2.397  -1.601  -1.405
   99   HG22  THR  15          HG22      THR  15  -0.787  -1.090  -1.973
  100   HG23  THR  15          HG23      THR  15  -1.303  -0.725  -0.304
  101    H    TYR  16           H        TYR  16   1.109  -2.816   1.815
  102    HA   TYR  16           HA       TYR  16   0.051  -0.715   3.683
  103    HB2  TYR  16           HB2      TYR  16   1.928  -3.025   4.393
  104    HB3  TYR  16           HB3      TYR  16   1.326  -1.788   5.508
  105    HD1  TYR  16           HD2      TYR  16   0.309  -4.692   3.312
  106    HD2  TYR  16           HD1      TYR  16  -0.878  -2.125   6.542
  107    HE1  TYR  16           HE2      TYR  16  -1.658  -6.106   3.713
  108    HE2  TYR  16           HE1      TYR  16  -2.701  -3.683   7.109
  109    HH   TYR  16           HH       TYR  16  -3.504  -6.568   5.167
  110    H    TRP  17           H        TRP  17   1.878   0.693   4.548
  111    HA   TRP  17           HA       TRP  17   3.799   1.161   2.364
  112    HB2  TRP  17           HB2      TRP  17   3.380   2.552   5.071
  113    HB3  TRP  17           HB3      TRP  17   4.610   3.066   3.904
  114    HD1  TRP  17           HD1      TRP  17   1.147   3.850   4.762
  115    HE1  TRP  17           HE1      TRP  17   0.032   5.184   2.936
  116    HE3  TRP  17           HE3      TRP  17   4.549   3.088   0.908
  117    HZ2  TRP  17           HZ2      TRP  17   0.357   5.779   0.296
  118    HZ3  TRP  17           HZ3      TRP  17   4.058   4.192  -1.275
  119    HH2  TRP  17           HH2      TRP  17   1.963   5.462  -1.601
  120    HA   PRO  18           HA       PRO  18   6.850  -1.364   4.579
  121    HB2  PRO  18           HB2      PRO  18   9.248  -0.450   3.586
  122    HB3  PRO  18           HB3      PRO  18   8.024  -1.165   2.490
  123    HG2  PRO  18           HG2      PRO  18   8.402   1.814   3.078
  124    HG3  PRO  18           HG3      PRO  18   8.458   1.031   1.465
  125    HD2  PRO  18           HD2      PRO  18   6.151   2.166   2.394
  126    HD3  PRO  18           HD3      PRO  18   6.049   0.591   1.513
  Start of MODEL    6
    1    H1   SER   1           H        SER   1   1.994  -0.489   0.135
    2    HA   SER   1           HA       SER   1   1.551  -0.217  -2.723
    3    HB2  SER   1           HB2      SER   1   3.847   0.708  -3.258
    4    HB3  SER   1           HB3      SER   1   2.784   1.904  -2.473
    5    HG   SER   1           HG       SER   1   3.927   1.382  -0.466
    6    H    ILE   2           H        ILE   2   4.619  -0.852  -0.826
    7    HA   ILE   2           HA       ILE   2   4.336  -3.744  -1.550
    8    HB   ILE   2           HB       ILE   2   6.810  -3.737  -2.100
    9   HG12  ILE   2          HG12      ILE   2   7.909  -1.646  -2.835
   10   HG13  ILE   2          HG13      ILE   2   6.503  -0.669  -2.363
   11   HG21  ILE   2          HG21      ILE   2   6.507  -2.937  -4.440
   12   HG22  ILE   2          HG22      ILE   2   5.077  -3.839  -3.887
   13   HG23  ILE   2          HG23      ILE   2   5.032  -2.055  -3.962
   14   HD11  ILE   2          HD11      ILE   2   8.406  -0.529  -0.724
   15   HD12  ILE   2          HD12      ILE   2   6.956  -1.191   0.056
   16   HD13  ILE   2          HD13      ILE   2   8.290  -2.284  -0.426
   17    H    GLY   3           H        GLY   3   3.702  -2.304   0.969
   18    HA2  GLY   3           HA3      GLY   3   5.929  -3.382   2.677
   19    HA3  GLY   3           HA2      GLY   3   4.778  -2.104   3.114
   20    H    ASP   4           H        ASP   4   5.103  -4.435   4.684
   21    HA   ASP   4           HA       ASP   4   2.418  -5.611   4.371
   22    HB2  ASP   4           HB2      ASP   4   5.000  -6.849   5.299
   23    HB3  ASP   4           HB3      ASP   4   3.442  -7.547   5.732
   24    H    SER   5           H        SER   5   3.666  -3.253   5.946
   25    HA   SER   5           HA       SER   5   3.545  -3.812   8.684
   26    HB2  SER   5           HB2      SER   5   3.992  -1.552   7.100
   27    HB3  SER   5           HB3      SER   5   2.581  -1.143   8.076
   28    HG   SER   5           HG       SER   5   4.960  -2.235   9.161
   29    H    GLY   6           H        GLY   6   1.771  -2.227   9.930
   30    HA2  GLY   6           HA3      GLY   6  -0.764  -3.587   9.353
   31    HA3  GLY   6           HA2      GLY   6  -0.327  -2.824  10.875
   32    H    LEU   7           H        LEU   7   0.442  -0.701   8.165
   33    HA   LEU   7           HA       LEU   7  -2.041   0.866   8.785
   34    HB2  LEU   7           HB2      LEU   7   0.688   1.873   7.792
   35    HB3  LEU   7           HB3      LEU   7  -0.804   2.802   8.036
   36    HG   LEU   7           HG       LEU   7  -0.675   1.955  10.548
   37   HD11  LEU   7          HD11      LEU   7   1.684   1.588  11.367
   38   HD12  LEU   7          HD12      LEU   7   2.268   1.547   9.681
   39   HD13  LEU   7          HD13      LEU   7   1.176   0.272  10.294
   40   HD21  LEU   7          HD21      LEU   7   1.330   4.019   9.443
   41   HD22  LEU   7          HD22      LEU   7   0.800   3.895  11.148
   42   HD23  LEU   7          HD23      LEU   7  -0.376   4.328   9.885
   43    H    ARG   8           H        ARG   8  -3.475   0.147   7.033
   44    HA   ARG   8           HA       ARG   8  -2.395  -0.823   4.629
   45    HB2  ARG   8           HB2      ARG   8  -5.155   0.395   5.097
   46    HB3  ARG   8           HB3      ARG   8  -4.658  -0.345   3.552
   47    HG2  ARG   8           HG2      ARG   8  -4.247  -2.529   4.622
   48    HG3  ARG   8           HG3      ARG   8  -4.603  -1.848   6.227
   49    HD2  ARG   8           HD2      ARG   8  -6.568  -2.033   3.872
   50    HD3  ARG   8           HD3      ARG   8  -6.585  -3.159   5.217
   51    HE   ARG   8           HE       ARG   8  -7.655  -0.426   5.114
   52   HH11  ARG   8          HH11      ARG   8  -6.327  -2.878   7.430
   53   HH12  ARG   8          HH12      ARG   8  -7.142  -2.115   8.785
   54   HH21  ARG   8          HH21      ARG   8  -8.636   0.450   6.925
   55   HH22  ARG   8          HH22      ARG   8  -8.422  -0.286   8.514
   56    H    GLU   9           H        GLU   9  -2.203   0.231   2.430
   57    HA   GLU   9           HA       GLU   9  -1.154   2.896   2.748
   58    HB2  GLU   9           HB2      GLU   9  -1.879   1.485   0.107
   59    HB3  GLU   9           HB3      GLU   9  -0.987   3.019   0.273
   60    HG2  GLU   9           HG2      GLU   9   0.869   1.807   1.478
   61    HG3  GLU   9           HG3      GLU   9  -0.043   0.294   1.308
   62    H    SER  10           H        SER  10  -4.133   1.393   1.303
   63    HA   SER  10           HA       SER  10  -5.421   4.116   1.243
   64    HB2  SER  10           HB2      SER  10  -6.532   3.153  -0.881
   65    HB3  SER  10           HB3      SER  10  -4.765   3.368  -1.026
   66    HG   SER  10           HG       SER  10  -5.972   0.858  -0.347
   67    H    MET  11           H        MET  11  -7.892   3.857   1.157
   68    HA   MET  11           HA       MET  11  -8.630   2.123   3.351
   69    HB2  MET  11           HB2      MET  11 -10.879   3.002   3.157
   70    HB3  MET  11           HB3      MET  11  -9.684   4.320   3.067
   71    HG2  MET  11           HG2      MET  11 -10.068   4.456   0.539
   72    HG3  MET  11           HG3      MET  11 -11.190   3.075   0.668
   73    HE1  MET  11           HE1      MET  11 -10.773   6.977   1.008
   74    HE2  MET  11           HE2      MET  11 -12.045   7.401   2.195
   75    HE3  MET  11           HE3      MET  11 -10.572   6.548   2.739
   76    H    SER  12           H        SER  12  -8.799   1.738  -0.254
   77    HA   SER  12           HA       SER  12 -10.719  -0.492   0.122
   78    HB2  SER  12           HB2      SER  12 -11.156   1.104  -1.685
   79    HB3  SER  12           HB3      SER  12  -9.596   0.731  -2.444
   80    HG   SER  12           HG       SER  12 -11.701  -1.187  -2.068
   81    H    SER  13           H        SER  13  -7.538  -0.193  -1.739
   82    HA   SER  13           HA       SER  13  -7.335  -2.975  -1.994
   83    HB2  SER  13           HB2      SER  13  -6.064  -1.363  -3.383
   84    HB3  SER  13           HB3      SER  13  -5.020  -0.949  -1.999
   85    HG   SER  13           HG       SER  13  -4.242  -3.187  -2.143
   86    H    GLN  14           H        GLN  14  -5.806  -4.545  -1.002
   87    HA   GLN  14           HA       GLN  14  -5.570  -4.081   1.940
   88    HB2  GLN  14           HB2      GLN  14  -5.307  -6.511   2.092
   89    HB3  GLN  14           HB3      GLN  14  -6.820  -6.100   1.259
   90    HG2  GLN  14           HG2      GLN  14  -6.070  -6.936  -0.840
   91    HG3  GLN  14           HG3      GLN  14  -4.361  -6.637  -0.482
   92   HE21  GLN  14          HE21      GLN  14  -3.618  -8.827  -0.975
   93   HE22  GLN  14          HE22      GLN  14  -4.125 -10.165  -0.019
   94    H    THR  15           H        THR  15  -3.583  -2.555   0.689
   95    HA   THR  15           HA       THR  15  -1.141  -4.275   1.147
   96    HB   THR  15           HB       THR  15  -1.405  -3.817  -1.258
   97    HG1  THR  15           HG1      THR  15   0.807  -2.975  -1.361
   98   HG21  THR  15          HG21      THR  15  -1.175  -0.856  -0.452
   99   HG22  THR  15          HG22      THR  15  -2.588  -1.591  -1.238
  100   HG23  THR  15          HG23      THR  15  -1.048  -1.464  -2.121
  101    H    TYR  16           H        TYR  16   0.861  -2.781   1.719
  102    HA   TYR  16           HA       TYR  16  -0.138  -0.664   3.605
  103    HB2  TYR  16           HB2      TYR  16   1.780  -2.927   4.344
  104    HB3  TYR  16           HB3      TYR  16   1.167  -1.670   5.426
  105    HD1  TYR  16           HD2      TYR  16   0.200  -4.660   3.338
  106    HD2  TYR  16           HD1      TYR  16  -1.002  -2.032   6.512
  107    HE1  TYR  16           HE2      TYR  16  -1.792  -6.056   3.752
  108    HE2  TYR  16           HE1      TYR  16  -2.887  -3.508   7.038
  109    HH   TYR  16           HH       TYR  16  -4.218  -5.345   6.271
  110    H    TRP  17           H        TRP  17   1.642   0.807   4.390
  111    HA   TRP  17           HA       TRP  17   3.588   1.244   2.227
  112    HB2  TRP  17           HB2      TRP  17   3.137   2.676   4.914
  113    HB3  TRP  17           HB3      TRP  17   4.370   3.181   3.747
  114    HD1  TRP  17           HD1      TRP  17   0.855   3.902   4.547
  115    HE1  TRP  17           HE1      TRP  17  -0.261   5.176   2.679
  116    HE3  TRP  17           HE3      TRP  17   4.445   3.369   0.834
  117    HZ2  TRP  17           HZ2      TRP  17   0.072   5.679   0.013
  118    HZ3  TRP  17           HZ3      TRP  17   3.867   4.205  -1.444
  119    HH2  TRP  17           HH2      TRP  17   1.701   5.328  -1.858
  120    HA   PRO  18           HA       PRO  18   6.639  -1.217   4.540
  121    HB2  PRO  18           HB2      PRO  18   9.048  -0.236   3.620
  122    HB3  PRO  18           HB3      PRO  18   7.895  -1.042   2.509
  123    HG2  PRO  18           HG2      PRO  18   8.169   1.971   2.966
  124    HG3  PRO  18           HG3      PRO  18   8.269   1.114   1.398
  125    HD2  PRO  18           HD2      PRO  18   5.926   2.241   2.253
  126    HD3  PRO  18           HD3      PRO  18   5.864   0.637   1.425
  Start of MODEL    7
    1    H1   SER   1           H        SER   1   2.006  -0.512   0.181
    2    HA   SER   1           HA       SER   1   1.570  -0.220  -2.688
    3    HB2  SER   1           HB2      SER   1   3.865   0.706  -3.193
    4    HB3  SER   1           HB3      SER   1   2.809   1.898  -2.391
    5    HG   SER   1           HG       SER   1   3.938   1.329  -0.385
    6    H    ILE   2           H        ILE   2   4.649  -0.883  -0.833
    7    HA   ILE   2           HA       ILE   2   4.322  -3.776  -1.552
    8    HB   ILE   2           HB       ILE   2   6.797  -3.806  -2.087
    9   HG12  ILE   2          HG12      ILE   2   7.947  -1.742  -2.791
   10   HG13  ILE   2          HG13      ILE   2   6.555  -0.732  -2.338
   11   HG21  ILE   2          HG21      ILE   2   5.077  -3.867  -3.883
   12   HG22  ILE   2          HG22      ILE   2   5.058  -2.080  -3.947
   13   HG23  ILE   2          HG23      ILE   2   6.526  -2.982  -4.421
   14   HD11  ILE   2          HD11      ILE   2   8.444  -0.641  -0.675
   15   HD12  ILE   2          HD12      ILE   2   6.961  -1.257   0.083
   16   HD13  ILE   2          HD13      ILE   2   8.273  -2.393  -0.375
   17    H    GLY   3           H        GLY   3   3.754  -2.257   0.994
   18    HA2  GLY   3           HA3      GLY   3   5.959  -3.414   2.678
   19    HA3  GLY   3           HA2      GLY   3   4.830  -2.121   3.137
   20    H    ASP   4           H        ASP   4   5.127  -4.475   4.675
   21    HA   ASP   4           HA       ASP   4   2.421  -5.603   4.370
   22    HB2  ASP   4           HB2      ASP   4   5.025  -6.881   5.029
   23    HB3  ASP   4           HB3      ASP   4   3.599  -7.482   5.869
   24    H    SER   5           H        SER   5   3.717  -3.276   5.951
   25    HA   SER   5           HA       SER   5   3.601  -3.850   8.687
   26    HB2  SER   5           HB2      SER   5   2.781  -1.174   7.590
   27    HB3  SER   5           HB3      SER   5   3.706  -1.538   9.046
   28    HG   SER   5           HG       SER   5   5.363  -2.340   7.545
   29    H    GLY   6           H        GLY   6   1.862  -2.241   9.951
   30    HA2  GLY   6           HA3      GLY   6  -0.699  -3.553   9.381
   31    HA3  GLY   6           HA2      GLY   6  -0.240  -2.806  10.904
   32    H    LEU   7           H        LEU   7   0.616  -0.733   8.256
   33    HA   LEU   7           HA       LEU   7  -1.776   0.989   8.824
   34    HB2  LEU   7           HB2      LEU   7   1.067   1.574   7.806
   35    HB3  LEU   7           HB3      LEU   7  -0.208   2.795   7.970
   36    HG   LEU   7           HG       LEU   7   0.676   1.091  10.381
   37   HD11  LEU   7          HD11      LEU   7   1.998   3.700   9.423
   38   HD12  LEU   7          HD12      LEU   7   2.761   2.083   9.493
   39   HD13  LEU   7          HD13      LEU   7   2.291   2.907  11.001
   40   HD21  LEU   7          HD21      LEU   7  -0.125   3.066  11.693
   41   HD22  LEU   7          HD22      LEU   7  -1.433   2.485  10.636
   42   HD23  LEU   7          HD23      LEU   7  -0.505   3.943  10.186
   43    H    ARG   8           H        ARG   8  -3.252   0.070   7.152
   44    HA   ARG   8           HA       ARG   8  -2.312  -0.791   4.673
   45    HB2  ARG   8           HB2      ARG   8  -5.045   0.408   5.351
   46    HB3  ARG   8           HB3      ARG   8  -4.628  -0.171   3.716
   47    HG2  ARG   8           HG2      ARG   8  -4.154  -2.442   4.532
   48    HG3  ARG   8           HG3      ARG   8  -4.444  -1.930   6.218
   49    HD2  ARG   8           HD2      ARG   8  -6.584  -1.689   4.035
   50    HD3  ARG   8           HD3      ARG   8  -6.428  -3.178   4.940
   51    HE   ARG   8           HE       ARG   8  -7.561  -0.631   5.854
   52   HH11  ARG   8          HH11      ARG   8  -5.898  -3.619   7.060
   53   HH12  ARG   8          HH12      ARG   8  -6.619  -3.442   8.650
   54   HH21  ARG   8          HH21      ARG   8  -8.403  -0.514   7.929
   55   HH22  ARG   8          HH22      ARG   8  -7.997  -1.732   9.139
   56    H    GLU   9           H        GLU   9  -2.169   0.275   2.502
   57    HA   GLU   9           HA       GLU   9  -1.070   2.919   2.826
   58    HB2  GLU   9           HB2      GLU   9  -1.845   1.573   0.174
   59    HB3  GLU   9           HB3      GLU   9  -0.892   3.064   0.373
   60    HG2  GLU   9           HG2      GLU   9   0.924   1.760   1.535
   61    HG3  GLU   9           HG3      GLU   9  -0.042   0.281   1.350
   62    H    SER  10           H        SER  10  -4.088   1.481   1.373
   63    HA   SER  10           HA       SER  10  -5.328   4.231   1.362
   64    HB2  SER  10           HB2      SER  10  -6.479   3.330  -0.753
   65    HB3  SER  10           HB3      SER  10  -4.706   3.484  -0.925
   66    HG   SER  10           HG       SER  10  -5.998   1.015  -0.259
   67    H    MET  11           H        MET  11  -7.798   4.030   1.292
   68    HA   MET  11           HA       MET  11  -8.581   2.330   3.487
   69    HB2  MET  11           HB2      MET  11 -10.790   3.269   3.294
   70    HB3  MET  11           HB3      MET  11  -9.597   4.570   3.033
   71    HG2  MET  11           HG2      MET  11 -10.016   4.313   0.489
   72    HG3  MET  11           HG3      MET  11 -11.312   3.142   0.889
   73    HE1  MET  11           HE1      MET  11 -11.900   5.624  -0.848
   74    HE2  MET  11           HE2      MET  11 -13.315   4.699  -0.236
   75    HE3  MET  11           HE3      MET  11 -13.265   6.485  -0.065
   76    H    SER  12           H        SER  12  -8.848   1.996  -0.130
   77    HA   SER  12           HA       SER  12 -10.777  -0.214   0.205
   78    HB2  SER  12           HB2      SER  12 -10.693  -0.298  -2.283
   79    HB3  SER  12           HB3      SER  12 -11.073   1.340  -1.653
   80    HG   SER  12           HG       SER  12  -9.352   1.403  -3.293
   81    H    SER  13           H        SER  13  -7.614  -0.010  -1.627
   82    HA   SER  13           HA       SER  13  -7.381  -2.774  -1.854
   83    HB2  SER  13           HB2      SER  13  -5.986  -1.022  -3.129
   84    HB3  SER  13           HB3      SER  13  -4.981  -0.885  -1.662
   85    HG   SER  13           HG       SER  13  -5.311  -3.271  -3.241
   86    H    GLN  14           H        GLN  14  -5.368  -4.094  -0.997
   87    HA   GLN  14           HA       GLN  14  -5.414  -3.897   2.009
   88    HB2  GLN  14           HB2      GLN  14  -5.616  -6.295   2.084
   89    HB3  GLN  14           HB3      GLN  14  -6.797  -5.703   0.897
   90    HG2  GLN  14           HG2      GLN  14  -4.576  -6.240  -0.775
   91    HG3  GLN  14           HG3      GLN  14  -4.351  -7.448   0.483
   92   HE21  GLN  14          HE21      GLN  14  -5.842  -9.323   0.446
   93   HE22  GLN  14          HE22      GLN  14  -7.073  -9.445  -0.755
   94    H    THR  15           H        THR  15  -3.410  -2.470   0.608
   95    HA   THR  15           HA       THR  15  -0.997  -4.231   1.067
   96    HB   THR  15           HB       THR  15  -1.157  -3.648  -1.326
   97    HG1  THR  15           HG1      THR  15   0.992  -3.547  -0.400
   98   HG21  THR  15          HG21      THR  15  -2.526  -1.662  -1.435
   99   HG22  THR  15          HG22      THR  15  -0.906  -1.187  -1.997
  100   HG23  THR  15          HG23      THR  15  -1.436  -0.762  -0.347
  101    H    TYR  16           H        TYR  16   0.980  -2.783   1.836
  102    HA   TYR  16           HA       TYR  16  -0.067  -0.641   3.664
  103    HB2  TYR  16           HB2      TYR  16   1.823  -2.921   4.427
  104    HB3  TYR  16           HB3      TYR  16   1.212  -1.656   5.506
  105    HD1  TYR  16           HD2      TYR  16   0.208  -4.622   3.390
  106    HD2  TYR  16           HD1      TYR  16  -0.958  -2.005   6.590
  107    HE1  TYR  16           HE2      TYR  16  -1.767  -6.018   3.811
  108    HE2  TYR  16           HE1      TYR  16  -2.826  -3.513   7.141
  109    HH   TYR  16           HH       TYR  16  -3.742  -6.316   5.126
  110    H    TRP  17           H        TRP  17   1.749   0.808   4.482
  111    HA   TRP  17           HA       TRP  17   3.680   1.224   2.297
  112    HB2  TRP  17           HB2      TRP  17   3.243   2.682   4.970
  113    HB3  TRP  17           HB3      TRP  17   4.483   3.163   3.799
  114    HD1  TRP  17           HD1      TRP  17   0.962   3.901   4.579
  115    HE1  TRP  17           HE1      TRP  17  -0.136   5.175   2.698
  116    HE3  TRP  17           HE3      TRP  17   4.565   3.323   0.884
  117    HZ2  TRP  17           HZ2      TRP  17   0.220   5.680   0.039
  118    HZ3  TRP  17           HZ3      TRP  17   4.012   4.174  -1.395
  119    HH2  TRP  17           HH2      TRP  17   1.862   5.323  -1.820
  120    HA   PRO  18           HA       PRO  18   6.714  -1.263   4.591
  121    HB2  PRO  18           HB2      PRO  18   9.120  -0.379   3.587
  122    HB3  PRO  18           HB3      PRO  18   7.899  -1.123   2.505
  123    HG2  PRO  18           HG2      PRO  18   8.288   1.873   3.010
  124    HG3  PRO  18           HG3      PRO  18   8.344   1.044   1.420
  125    HD2  PRO  18           HD2      PRO  18   6.037   2.215   2.322
  126    HD3  PRO  18           HD3      PRO  18   5.932   0.619   1.474
  Start of MODEL    8
    1    H1   SER   1           H        SER   1   2.435  -0.190   0.130
    2    HA   SER   1           HA       SER   1   1.925  -0.197  -2.786
    3    HB2  SER   1           HB2      SER   1   4.183   0.725  -3.338
    4    HB3  SER   1           HB3      SER   1   3.139   1.941  -2.538
    5    HG   SER   1           HG       SER   1   5.313   1.799  -1.540
    6    H    ILE   2           H        ILE   2   4.887  -0.748  -0.729
    7    HA   ILE   2           HA       ILE   2   4.662  -3.664  -1.401
    8    HB   ILE   2           HB       ILE   2   7.154  -3.650  -1.902
    9   HG12  ILE   2          HG12      ILE   2   8.222  -1.567  -2.716
   10   HG13  ILE   2          HG13      ILE   2   6.791  -0.600  -2.289
   11   HG21  ILE   2          HG21      ILE   2   5.385  -2.076  -3.865
   12   HG22  ILE   2          HG22      ILE   2   6.877  -2.964  -4.274
   13   HG23  ILE   2          HG23      ILE   2   5.445  -3.854  -3.705
   14   HD11  ILE   2          HD11      ILE   2   7.232  -1.034   0.145
   15   HD12  ILE   2          HD12      ILE   2   8.604  -2.105  -0.290
   16   HD13  ILE   2          HD13      ILE   2   8.672  -0.356  -0.644
   17    H    GLY   3           H        GLY   3   3.891  -2.290   1.026
   18    HA2  GLY   3           HA3      GLY   3   6.084  -3.259   2.850
   19    HA3  GLY   3           HA2      GLY   3   4.914  -1.974   3.209
   20    H    ASP   4           H        ASP   4   5.199  -4.242   4.859
   21    HA   ASP   4           HA       ASP   4   2.540  -5.461   4.492
   22    HB2  ASP   4           HB2      ASP   4   5.142  -6.661   5.052
   23    HB3  ASP   4           HB3      ASP   4   3.910  -7.139   6.217
   24    H    SER   5           H        SER   5   3.709  -3.038   6.031
   25    HA   SER   5           HA       SER   5   3.495  -3.511   8.780
   26    HB2  SER   5           HB2      SER   5   4.014  -1.308   7.162
   27    HB3  SER   5           HB3      SER   5   2.530  -0.871   8.009
   28    HG   SER   5           HG       SER   5   3.595  -0.768   9.833
   29    H    GLY   6           H        GLY   6   1.664  -1.905   9.911
   30    HA2  GLY   6           HA3      GLY   6  -0.837  -3.306   9.287
   31    HA3  GLY   6           HA2      GLY   6  -0.461  -2.493  10.799
   32    H    LEU   7           H        LEU   7   0.395  -0.439   8.075
   33    HA   LEU   7           HA       LEU   7  -2.134   1.111   8.517
   34    HB2  LEU   7           HB2      LEU   7   0.650   2.053   7.627
   35    HB3  LEU   7           HB3      LEU   7  -0.843   3.018   7.659
   36    HG   LEU   7           HG       LEU   7  -0.998   2.580  10.186
   37   HD11  LEU   7          HD11      LEU   7   0.522   0.620  10.462
   38   HD12  LEU   7          HD12      LEU   7   1.189   2.000  11.346
   39   HD13  LEU   7          HD13      LEU   7   1.888   1.543   9.769
   40   HD21  LEU   7          HD21      LEU   7   1.467   4.105   9.139
   41   HD22  LEU   7          HD22      LEU   7   0.693   4.338  10.734
   42   HD23  LEU   7          HD23      LEU   7  -0.200   4.743   9.249
   43    H    ARG   8           H        ARG   8  -3.509   0.397   6.725
   44    HA   ARG   8           HA       ARG   8  -2.309  -0.732   4.405
   45    HB2  ARG   8           HB2      ARG   8  -5.107   0.471   4.638
   46    HB3  ARG   8           HB3      ARG   8  -4.514  -0.457   3.231
   47    HG2  ARG   8           HG2      ARG   8  -4.123  -2.458   4.668
   48    HG3  ARG   8           HG3      ARG   8  -4.660  -1.542   6.087
   49    HD2  ARG   8           HD2      ARG   8  -6.865  -1.242   4.398
   50    HD3  ARG   8           HD3      ARG   8  -6.248  -2.839   3.886
   51    HE   ARG   8           HE       ARG   8  -6.472  -2.684   6.780
   52   HH11  ARG   8          HH11      ARG   8  -8.521  -2.952   3.827
   53   HH12  ARG   8          HH12      ARG   8  -9.824  -3.713   4.729
   54   HH21  ARG   8          HH21      ARG   8  -8.202  -3.618   7.843
   55   HH22  ARG   8          HH22      ARG   8  -9.657  -4.078   6.956
   56    H    GLU   9           H        GLU   9  -2.038   0.271   2.194
   57    HA   GLU   9           HA       GLU   9  -1.081   2.973   2.466
   58    HB2  GLU   9           HB2      GLU   9  -1.694   1.473  -0.147
   59    HB3  GLU   9           HB3      GLU   9  -0.810   3.016   0.009
   60    HG2  GLU   9           HG2      GLU   9   1.008   1.841   1.313
   61    HG3  GLU   9           HG3      GLU   9   0.127   0.314   1.139
   62    H    SER  10           H        SER  10  -3.994   1.339   1.014
   63    HA   SER  10           HA       SER  10  -5.358   4.020   0.849
   64    HB2  SER  10           HB2      SER  10  -6.372   2.991  -1.279
   65    HB3  SER  10           HB3      SER  10  -4.606   3.229  -1.385
   66    HG   SER  10           HG       SER  10  -5.800   0.714  -0.701
   67    H    MET  11           H        MET  11  -7.825   3.645   0.666
   68    HA   MET  11           HA       MET  11  -8.614   1.928   2.885
   69    HB2  MET  11           HB2      MET  11 -10.242   3.549   0.846
   70    HB3  MET  11           HB3      MET  11 -10.998   2.588   2.139
   71    HG2  MET  11           HG2      MET  11  -8.949   4.817   2.729
   72    HG3  MET  11           HG3      MET  11 -10.725   5.045   2.733
   73    HE1  MET  11           HE1      MET  11 -10.933   5.798   5.251
   74    HE2  MET  11           HE2      MET  11 -10.142   4.935   6.610
   75    HE3  MET  11           HE3      MET  11  -9.139   5.765   5.374
   76    H    SER  12           H        SER  12  -8.713   1.590  -0.753
   77    HA   SER  12           HA       SER  12 -10.499  -0.738  -0.434
   78    HB2  SER  12           HB2      SER  12 -10.912   0.818  -2.249
   79    HB3  SER  12           HB3      SER  12  -9.318   0.469  -2.973
   80    HG   SER  12           HG       SER  12 -11.033  -0.925  -3.859
   81    H    SER  13           H        SER  13  -7.266  -0.405  -2.202
   82    HA   SER  13           HA       SER  13  -6.989  -3.212  -2.305
   83    HB2  SER  13           HB2      SER  13  -5.740  -1.645  -3.779
   84    HB3  SER  13           HB3      SER  13  -4.740  -1.119  -2.400
   85    HG   SER  13           HG       SER  13  -3.930  -3.365  -2.378
   86    H    GLN  14           H        GLN  14  -5.487  -4.687  -1.105
   87    HA   GLN  14           HA       GLN  14  -5.218  -3.833   1.764
   88    HB2  GLN  14           HB2      GLN  14  -5.219  -6.628   0.506
   89    HB3  GLN  14           HB3      GLN  14  -5.194  -6.240   2.252
   90    HG2  GLN  14           HG2      GLN  14  -7.434  -5.097   2.002
   91    HG3  GLN  14           HG3      GLN  14  -7.490  -5.592   0.290
   92   HE21  GLN  14          HE21      GLN  14  -8.980  -6.543   3.066
   93   HE22  GLN  14          HE22      GLN  14  -8.986  -8.245   2.804
   94    H    THR  15           H        THR  15  -3.287  -2.532   0.619
   95    HA   THR  15           HA       THR  15  -0.855  -4.277   0.979
   96    HB   THR  15           HB       THR  15  -1.188  -3.806  -1.432
   97    HG1  THR  15           HG1      THR  15   1.051  -2.342  -0.415
   98   HG21  THR  15          HG21      THR  15  -1.049  -0.849  -0.629
   99   HG22  THR  15          HG22      THR  15  -2.414  -1.654  -1.437
  100   HG23  THR  15          HG23      THR  15  -0.864  -1.452  -2.298
  101    H    TYR  16           H        TYR  16   1.073  -2.913   1.863
  102    HA   TYR  16           HA       TYR  16  -0.036  -0.644   3.499
  103    HB2  TYR  16           HB2      TYR  16   1.851  -2.853   4.429
  104    HB3  TYR  16           HB3      TYR  16   1.184  -1.555   5.427
  105    HD1  TYR  16           HD1      TYR  16   0.317  -4.639   3.418
  106    HD2  TYR  16           HD2      TYR  16  -1.026  -1.899   6.437
  107    HE1  TYR  16           HE1      TYR  16  -1.712  -5.992   3.753
  108    HE2  TYR  16           HE2      TYR  16  -2.926  -3.366   6.934
  109    HH   TYR  16           HH       TYR  16  -4.294  -5.141   6.054
  110    H    TRP  17           H        TRP  17   1.707   0.869   4.310
  111    HA   TRP  17           HA       TRP  17   3.699   1.263   2.176
  112    HB2  TRP  17           HB2      TRP  17   3.135   2.792   4.781
  113    HB3  TRP  17           HB3      TRP  17   4.408   3.263   3.647
  114    HD1  TRP  17           HD1      TRP  17   0.910   4.052   4.313
  115    HE1  TRP  17           HE1      TRP  17  -0.138   5.276   2.373
  116    HE3  TRP  17           HE3      TRP  17   4.474   3.116   0.643
  117    HZ2  TRP  17           HZ2      TRP  17   0.284   5.725  -0.278
  118    HZ3  TRP  17           HZ3      TRP  17   4.067   4.107  -1.609
  119    HH2  TRP  17           HH2      TRP  17   1.968   5.323  -2.091
  120    HA   PRO  18           HA       PRO  18   6.724  -1.040   4.652
  121    HB2  PRO  18           HB2      PRO  18   9.136  -0.112   3.721
  122    HB3  PRO  18           HB3      PRO  18   7.988  -0.920   2.605
  123    HG2  PRO  18           HG2      PRO  18   8.251   2.088   3.072
  124    HG3  PRO  18           HG3      PRO  18   8.406   1.240   1.496
  125    HD2  PRO  18           HD2      PRO  18   6.019   2.345   2.251
  126    HD3  PRO  18           HD3      PRO  18   6.008   0.725   1.449
  Start of MODEL    9
    1    H1   SER   1           H        SER   1   2.195  -0.420   0.016
    2    HA   SER   1           HA       SER   1   1.815  -0.157  -2.863
    3    HB2  SER   1           HB2      SER   1   4.127   0.747  -3.345
    4    HB3  SER   1           HB3      SER   1   3.066   1.947  -2.561
    5    HG   SER   1           HG       SER   1   4.160   1.399  -0.545
    6    H    ILE   2           H        ILE   2   4.819  -0.848  -0.892
    7    HA   ILE   2           HA       ILE   2   4.486  -3.736  -1.621
    8    HB   ILE   2           HB       ILE   2   6.950  -3.802  -2.150
    9   HG12  ILE   2          HG12      ILE   2   8.127  -1.735  -2.856
   10   HG13  ILE   2          HG13      ILE   2   6.749  -0.715  -2.387
   11   HG21  ILE   2          HG21      ILE   2   5.234  -3.827  -3.943
   12   HG22  ILE   2          HG22      ILE   2   5.259  -2.040  -4.017
   13   HG23  ILE   2          HG23      ILE   2   6.706  -2.979  -4.481
   14   HD11  ILE   2          HD11      ILE   2   8.458  -2.403  -0.447
   15   HD12  ILE   2          HD12      ILE   2   8.639  -0.649  -0.738
   16   HD13  ILE   2          HD13      ILE   2   7.158  -1.261   0.029
   17    H    GLY   3           H        GLY   3   3.861  -2.272   0.896
   18    HA2  GLY   3           HA3      GLY   3   6.039  -3.414   2.633
   19    HA3  GLY   3           HA2      GLY   3   4.910  -2.110   3.060
   20    H    ASP   4           H        ASP   4   5.150  -4.426   4.645
   21    HA   ASP   4           HA       ASP   4   2.455  -5.563   4.276
   22    HB2  ASP   4           HB2      ASP   4   4.641  -7.053   4.116
   23    HB3  ASP   4           HB3      ASP   4   4.519  -7.012   5.873
   24    H    SER   5           H        SER   5   3.703  -3.216   5.868
   25    HA   SER   5           HA       SER   5   3.510  -3.761   8.605
   26    HB2  SER   5           HB2      SER   5   4.019  -1.511   7.017
   27    HB3  SER   5           HB3      SER   5   2.603  -1.080   7.975
   28    HG   SER   5           HG       SER   5   3.764  -1.571   9.840
   29    H    GLY   6           H        GLY   6   1.733  -2.141   9.802
   30    HA2  GLY   6           HA3      GLY   6  -0.809  -3.464   9.173
   31    HA3  GLY   6           HA2      GLY   6  -0.394  -2.702  10.701
   32    H    LEU   7           H        LEU   7   0.471  -0.593   8.029
   33    HA   LEU   7           HA       LEU   7  -2.047   0.991   8.485
   34    HB2  LEU   7           HB2      LEU   7   0.841   1.760   7.833
   35    HB3  LEU   7           HB3      LEU   7  -0.507   2.828   7.417
   36    HG   LEU   7           HG       LEU   7   0.679   3.375   9.590
   37   HD11  LEU   7          HD11      LEU   7  -1.353   3.998  10.830
   38   HD12  LEU   7          HD12      LEU   7  -2.350   2.870   9.880
   39   HD13  LEU   7          HD13      LEU   7  -1.589   4.276   9.086
   40   HD21  LEU   7          HD21      LEU   7   0.953   0.990  10.423
   41   HD22  LEU   7          HD22      LEU   7  -0.806   0.942  10.754
   42   HD23  LEU   7          HD23      LEU   7   0.230   2.096  11.627
   43    H    ARG   8           H        ARG   8  -3.403   0.113   6.745
   44    HA   ARG   8           HA       ARG   8  -2.232  -0.760   4.358
   45    HB2  ARG   8           HB2      ARG   8  -5.087   0.212   4.869
   46    HB3  ARG   8           HB3      ARG   8  -4.545  -0.301   3.250
   47    HG2  ARG   8           HG2      ARG   8  -3.917  -2.517   4.014
   48    HG3  ARG   8           HG3      ARG   8  -4.259  -2.103   5.716
   49    HD2  ARG   8           HD2      ARG   8  -6.430  -2.041   3.549
   50    HD3  ARG   8           HD3      ARG   8  -5.995  -3.509   4.490
   51    HE   ARG   8           HE       ARG   8  -6.489  -1.387   6.339
   52   HH11  ARG   8          HH11      ARG   8  -8.264  -3.520   4.042
   53   HH12  ARG   8          HH12      ARG   8  -9.698  -3.535   5.059
   54   HH21  ARG   8          HH21      ARG   8  -8.370  -1.464   7.567
   55   HH22  ARG   8          HH22      ARG   8  -9.769  -2.386   7.010
   56    H    GLU   9           H        GLU   9  -2.063   0.296   2.173
   57    HA   GLU   9           HA       GLU   9  -1.012   2.947   2.548
   58    HB2  GLU   9           HB2      GLU   9  -1.681   1.566  -0.129
   59    HB3  GLU   9           HB3      GLU   9  -0.781   3.091   0.086
   60    HG2  GLU   9           HG2      GLU   9   1.034   1.835   1.317
   61    HG3  GLU   9           HG3      GLU   9   0.103   0.334   1.111
   62    H    SER  10           H        SER  10  -3.954   1.508   0.973
   63    HA   SER  10           HA       SER  10  -5.239   4.237   0.986
   64    HB2  SER  10           HB2      SER  10  -6.333   3.344  -1.175
   65    HB3  SER  10           HB3      SER  10  -4.561   3.531  -1.295
   66    HG   SER  10           HG       SER  10  -5.835   1.031  -0.700
   67    H    MET  11           H        MET  11  -7.763   3.892   0.784
   68    HA   MET  11           HA       MET  11  -8.511   2.152   3.000
   69    HB2  MET  11           HB2      MET  11 -10.247   3.705   0.987
   70    HB3  MET  11           HB3      MET  11 -10.878   2.824   2.401
   71    HG2  MET  11           HG2      MET  11  -8.894   5.196   2.596
   72    HG3  MET  11           HG3      MET  11 -10.662   5.292   2.832
   73    HE1  MET  11           HE1      MET  11 -11.030   5.944   5.349
   74    HE2  MET  11           HE2      MET  11  -9.776   5.575   6.575
   75    HE3  MET  11           HE3      MET  11  -9.339   6.502   5.102
   76    H    SER  12           H        SER  12  -8.987   2.053  -0.653
   77    HA   SER  12           HA       SER  12 -10.689  -0.258  -0.374
   78    HB2  SER  12           HB2      SER  12 -11.017   1.255  -2.247
   79    HB3  SER  12           HB3      SER  12  -9.397   0.906  -2.890
   80    HG   SER  12           HG       SER  12 -11.481  -1.059  -2.633
   81    H    SER  13           H        SER  13  -7.399  -0.071  -2.075
   82    HA   SER  13           HA       SER  13  -7.261  -2.877  -2.255
   83    HB2  SER  13           HB2      SER  13  -5.835  -1.357  -3.612
   84    HB3  SER  13           HB3      SER  13  -4.890  -0.937  -2.145
   85    HG   SER  13           HG       SER  13  -3.910  -2.747  -3.356
   86    H    GLN  14           H        GLN  14  -5.432  -4.277  -1.277
   87    HA   GLN  14           HA       GLN  14  -5.308  -3.787   1.700
   88    HB2  GLN  14           HB2      GLN  14  -6.844  -5.640   0.919
   89    HB3  GLN  14           HB3      GLN  14  -5.439  -6.432   0.154
   90    HG2  GLN  14           HG2      GLN  14  -4.326  -6.509   2.477
   91    HG3  GLN  14           HG3      GLN  14  -5.825  -5.832   3.163
   92   HE21  GLN  14          HE21      GLN  14  -5.082  -8.201   4.264
   93   HE22  GLN  14          HE22      GLN  14  -6.033  -9.504   3.647
   94    H    THR  15           H        THR  15  -3.351  -2.449   0.836
   95    HA   THR  15           HA       THR  15  -0.994  -4.272   1.046
   96    HB   THR  15           HB       THR  15  -1.198  -3.865  -1.376
   97    HG1  THR  15           HG1      THR  15   0.973  -2.916  -1.510
   98   HG21  THR  15          HG21      THR  15  -2.493  -1.716  -1.370
   99   HG22  THR  15          HG22      THR  15  -0.986  -1.529  -2.309
  100   HG23  THR  15          HG23      THR  15  -1.095  -0.865  -0.657
  101    H    TYR  16           H        TYR  16   1.064  -2.758   1.599
  102    HA   TYR  16           HA       TYR  16   0.020  -0.591   3.414
  103    HB2  TYR  16           HB2      TYR  16   1.909  -2.841   4.243
  104    HB3  TYR  16           HB3      TYR  16   1.235  -1.589   5.297
  105    HD1  TYR  16           HD2      TYR  16   0.379  -4.584   3.161
  106    HD2  TYR  16           HD1      TYR  16  -0.956  -2.001   6.323
  107    HE1  TYR  16           HE2      TYR  16  -1.625  -5.987   3.474
  108    HE2  TYR  16           HE1      TYR  16  -2.744  -3.594   6.867
  109    HH   TYR  16           HH       TYR  16  -4.079  -5.396   5.996
  110    H    TRP  17           H        TRP  17   1.773   0.876   4.245
  111    HA   TRP  17           HA       TRP  17   3.791   1.274   2.146
  112    HB2  TRP  17           HB2      TRP  17   3.303   2.723   4.820
  113    HB3  TRP  17           HB3      TRP  17   4.558   3.208   3.665
  114    HD1  TRP  17           HD1      TRP  17   1.011   3.934   4.399
  115    HE1  TRP  17           HE1      TRP  17  -0.060   5.205   2.502
  116    HE3  TRP  17           HE3      TRP  17   4.690   3.389   0.779
  117    HZ2  TRP  17           HZ2      TRP  17   0.346   5.717  -0.154
  118    HZ3  TRP  17           HZ3      TRP  17   4.174   4.236  -1.513
  119    HH2  TRP  17           HH2      TRP  17   2.024   5.368  -1.980
  120    HA   PRO  18           HA       PRO  18   6.685  -1.255   4.607
  121    HB2  PRO  18           HB2      PRO  18   9.134  -0.479   3.642
  122    HB3  PRO  18           HB3      PRO  18   7.924  -1.200   2.533
  123    HG2  PRO  18           HG2      PRO  18   8.373   1.792   3.027
  124    HG3  PRO  18           HG3      PRO  18   8.476   0.949   1.444
  125    HD2  PRO  18           HD2      PRO  18   6.159   2.186   2.220
  126    HD3  PRO  18           HD3      PRO  18   6.055   0.574   1.408
  Start of MODEL   10
    1    H1   SER   1           H        SER   1   2.011  -0.582   0.067
    2    HA   SER   1           HA       SER   1   1.656  -0.391  -2.807
    3    HB2  SER   1           HB2      SER   1   3.995   0.473  -3.287
    4    HB3  SER   1           HB3      SER   1   2.919   1.707  -2.585
    5    HG   SER   1           HG       SER   1   3.987   1.244  -0.522
    6    H    ILE   2           H        ILE   2   4.687  -1.013  -0.836
    7    HA   ILE   2           HA       ILE   2   4.337  -3.929  -1.419
    8    HB   ILE   2           HB       ILE   2   6.825  -4.002  -1.924
    9   HG12  ILE   2          HG12      ILE   2   7.996  -1.987  -2.715
   10   HG13  ILE   2          HG13      ILE   2   6.611  -0.945  -2.334
   11   HG21  ILE   2          HG21      ILE   2   6.588  -3.300  -4.295
   12   HG22  ILE   2          HG22      ILE   2   5.121  -4.137  -3.737
   13   HG23  ILE   2          HG23      ILE   2   5.128  -2.358  -3.890
   14   HD11  ILE   2          HD11      ILE   2   6.974  -1.347   0.117
   15   HD12  ILE   2          HD12      ILE   2   8.283  -2.510  -0.257
   16   HD13  ILE   2          HD13      ILE   2   8.472  -0.781  -0.645
   17    H    GLY   3           H        GLY   3   3.731  -2.301   1.030
   18    HA2  GLY   3           HA3      GLY   3   5.899  -3.365   2.810
   19    HA3  GLY   3           HA2      GLY   3   4.756  -2.062   3.184
   20    H    ASP   4           H        ASP   4   5.027  -4.327   4.846
   21    HA   ASP   4           HA       ASP   4   2.331  -5.480   4.542
   22    HB2  ASP   4           HB2      ASP   4   3.274  -7.388   5.960
   23    HB3  ASP   4           HB3      ASP   4   3.827  -7.291   4.291
   24    H    SER   5           H        SER   5   3.589  -3.073   6.033
   25    HA   SER   5           HA       SER   5   3.418  -3.511   8.790
   26    HB2  SER   5           HB2      SER   5   4.138  -1.397   7.281
   27    HB3  SER   5           HB3      SER   5   2.530  -0.867   7.775
   28    HG   SER   5           HG       SER   5   4.806  -0.934   9.206
   29    H    GLY   6           H        GLY   6   1.649  -1.848   9.938
   30    HA2  GLY   6           HA3      GLY   6  -0.897  -3.196   9.380
   31    HA3  GLY   6           HA2      GLY   6  -0.471  -2.375  10.875
   32    H    LEU   7           H        LEU   7   0.408  -0.357   8.154
   33    HA   LEU   7           HA       LEU   7  -2.069   1.274   8.609
   34    HB2  LEU   7           HB2      LEU   7   0.728   2.090   7.628
   35    HB3  LEU   7           HB3      LEU   7  -0.731   3.105   7.660
   36    HG   LEU   7           HG       LEU   7  -0.843   2.788  10.195
   37   HD11  LEU   7          HD11      LEU   7   0.499   0.726  10.554
   38   HD12  LEU   7          HD12      LEU   7   1.322   2.071  11.351
   39   HD13  LEU   7          HD13      LEU   7   1.925   1.477   9.780
   40   HD21  LEU   7          HD21      LEU   7   0.132   4.851   9.164
   41   HD22  LEU   7          HD22      LEU   7   1.733   4.059   9.077
   42   HD23  LEU   7          HD23      LEU   7   0.993   4.427  10.663
   43    H    ARG   8           H        ARG   8  -3.525   0.670   6.842
   44    HA   ARG   8           HA       ARG   8  -2.427  -0.608   4.544
   45    HB2  ARG   8           HB2      ARG   8  -5.169   0.741   4.729
   46    HB3  ARG   8           HB3      ARG   8  -4.624  -0.336   3.416
   47    HG2  ARG   8           HG2      ARG   8  -4.312  -2.211   5.088
   48    HG3  ARG   8           HG3      ARG   8  -4.935  -1.140   6.373
   49    HD2  ARG   8           HD2      ARG   8  -7.086  -0.918   4.995
   50    HD3  ARG   8           HD3      ARG   8  -6.426  -2.196   3.915
   51    HE   ARG   8           HE       ARG   8  -6.312  -3.095   6.654
   52   HH11  ARG   8          HH11      ARG   8  -8.751  -2.385   4.100
   53   HH12  ARG   8          HH12      ARG   8  -9.915  -3.496   4.810
   54   HH21  ARG   8          HH21      ARG   8  -7.877  -4.472   7.496
   55   HH22  ARG   8          HH22      ARG   8  -9.437  -4.655   6.691
   56    H    GLU   9           H        GLU   9  -2.234   0.299   2.254
   57    HA   GLU   9           HA       GLU   9  -1.168   2.979   2.400
   58    HB2  GLU   9           HB2      GLU   9  -1.845   1.401  -0.143
   59    HB3  GLU   9           HB3      GLU   9  -0.963   2.945  -0.059
   60    HG2  GLU   9           HG2      GLU   9   0.873   1.821   1.277
   61    HG3  GLU   9           HG3      GLU   9  -0.020   0.293   1.172
   62    H    SER  10           H        SER  10  -4.187   1.408   1.076
   63    HA   SER  10           HA       SER  10  -5.453   4.117   1.038
   64    HB2  SER  10           HB2      SER  10  -6.522   3.502  -1.153
   65    HB3  SER  10           HB3      SER  10  -4.753   3.654  -1.299
   66    HG   SER  10           HG       SER  10  -4.688   1.304  -1.271
   67    H    MET  11           H        MET  11  -7.897   3.913   0.868
   68    HA   MET  11           HA       MET  11  -8.698   2.243   3.056
   69    HB2  MET  11           HB2      MET  11 -10.371   3.730   0.942
   70    HB3  MET  11           HB3      MET  11 -11.072   2.929   2.369
   71    HG2  MET  11           HG2      MET  11  -8.982   5.204   2.592
   72    HG3  MET  11           HG3      MET  11 -10.752   5.432   2.666
   73    HE1  MET  11           HE1      MET  11  -8.775   6.373   5.061
   74    HE2  MET  11           HE2      MET  11 -10.555   6.610   4.997
   75    HE3  MET  11           HE3      MET  11  -9.801   5.866   6.443
   76    H    SER  12           H        SER  12  -9.082   1.905  -0.570
   77    HA   SER  12           HA       SER  12 -10.841  -0.367  -0.214
   78    HB2  SER  12           HB2      SER  12  -9.373   0.565  -2.744
   79    HB3  SER  12           HB3      SER  12 -10.758  -0.558  -2.674
   80    HG   SER  12           HG       SER  12 -11.967   1.305  -1.762
   81    H    SER  13           H        SER  13  -7.331  -0.085  -1.331
   82    HA   SER  13           HA       SER  13  -7.302  -2.907  -1.915
   83    HB2  SER  13           HB2      SER  13  -5.794  -1.138  -3.024
   84    HB3  SER  13           HB3      SER  13  -4.882  -1.098  -1.491
   85    HG   SER  13           HG       SER  13  -5.171  -3.407  -3.189
   86    H    GLN  14           H        GLN  14  -5.340  -4.307  -0.949
   87    HA   GLN  14           HA       GLN  14  -5.464  -4.088   2.056
   88    HB2  GLN  14           HB2      GLN  14  -5.292  -6.516   2.109
   89    HB3  GLN  14           HB3      GLN  14  -6.735  -6.056   1.185
   90    HG2  GLN  14           HG2      GLN  14  -5.882  -6.900  -0.850
   91    HG3  GLN  14           HG3      GLN  14  -4.208  -6.487  -0.481
   92   HE21  GLN  14          HE21      GLN  14  -6.776  -8.942   0.320
   93   HE22  GLN  14          HE22      GLN  14  -5.628 -10.150   0.773
   94    H    THR  15           H        THR  15  -3.469  -2.591   0.631
   95    HA   THR  15           HA       THR  15  -1.041  -4.284   1.213
   96    HB   THR  15           HB       THR  15  -1.288  -3.922  -1.235
   97    HG1  THR  15           HG1      THR  15   0.888  -3.926  -0.338
   98   HG21  THR  15          HG21      THR  15  -1.173  -0.940  -0.533
   99   HG22  THR  15          HG22      THR  15  -2.498  -1.775  -1.379
  100   HG23  THR  15          HG23      THR  15  -0.911  -1.604  -2.165
  101    H    TYR  16           H        TYR  16   0.942  -2.753   1.797
  102    HA   TYR  16           HA       TYR  16  -0.120  -0.534   3.521
  103    HB2  TYR  16           HB2      TYR  16   1.766  -2.778   4.410
  104    HB3  TYR  16           HB3      TYR  16   1.154  -1.466   5.426
  105    HD1  TYR  16           HD1      TYR  16   0.174  -4.541   3.462
  106    HD2  TYR  16           HD2      TYR  16  -1.043  -1.747   6.483
  107    HE1  TYR  16           HE1      TYR  16  -1.797  -5.934   3.971
  108    HE2  TYR  16           HE2      TYR  16  -2.928  -3.190   7.085
  109    HH   TYR  16           HH       TYR  16  -4.184  -5.143   6.507
  110    H    TRP  17           H        TRP  17   1.697   0.921   4.328
  111    HA   TRP  17           HA       TRP  17   3.664   1.261   2.162
  112    HB2  TRP  17           HB2      TRP  17   3.178   2.822   4.766
  113    HB3  TRP  17           HB3      TRP  17   4.431   3.263   3.595
  114    HD1  TRP  17           HD1      TRP  17   0.891   4.012   4.288
  115    HE1  TRP  17           HE1      TRP  17  -0.181   5.197   2.339
  116    HE3  TRP  17           HE3      TRP  17   4.558   3.298   0.680
  117    HZ2  TRP  17           HZ2      TRP  17   0.210   5.574  -0.342
  118    HZ3  TRP  17           HZ3      TRP  17   4.035   4.040  -1.644
  119    HH2  TRP  17           HH2      TRP  17   1.882   5.145  -2.156
  120    HA   PRO  18           HA       PRO  18   6.645  -1.148   4.596
  121    HB2  PRO  18           HB2      PRO  18   9.068  -0.326   3.581
  122    HB3  PRO  18           HB3      PRO  18   7.857  -1.095   2.509
  123    HG2  PRO  18           HG2      PRO  18   8.255   1.916   2.935
  124    HG3  PRO  18           HG3      PRO  18   8.344   1.054   1.367
  125    HD2  PRO  18           HD2      PRO  18   6.027   2.250   2.188
  126    HD3  PRO  18           HD3      PRO  18   5.922   0.628   1.397
  Start of MODEL   11
    1    H1   SER   1           H        SER   1   2.159  -0.310   0.108
    2    HA   SER   1           HA       SER   1   1.603   0.028  -2.749
    3    HB2  SER   1           HB2      SER   1   3.891   0.978  -3.280
    4    HB3  SER   1           HB3      SER   1   2.884   2.135  -2.359
    5    HG   SER   1           HG       SER   1   5.068   1.880  -1.420
    6    H    ILE   2           H        ILE   2   4.643  -0.710  -0.870
    7    HA   ILE   2           HA       ILE   2   4.367  -3.568  -1.741
    8    HB   ILE   2           HB       ILE   2   6.814  -3.545  -2.353
    9   HG12  ILE   2          HG12      ILE   2   7.898  -1.414  -3.027
   10   HG13  ILE   2          HG13      ILE   2   6.508  -0.461  -2.461
   11   HG21  ILE   2          HG21      ILE   2   5.035  -3.554  -4.088
   12   HG22  ILE   2          HG22      ILE   2   5.016  -1.765  -4.100
   13   HG23  ILE   2          HG23      ILE   2   6.465  -2.652  -4.647
   14   HD11  ILE   2          HD11      ILE   2   8.462  -0.397  -0.882
   15   HD12  ILE   2          HD12      ILE   2   7.037  -1.098  -0.086
   16   HD13  ILE   2          HD13      ILE   2   8.355  -2.166  -0.668
   17    H    GLY   3           H        GLY   3   3.746  -2.292   0.833
   18    HA2  GLY   3           HA3      GLY   3   5.998  -3.445   2.465
   19    HA3  GLY   3           HA2      GLY   3   4.881  -2.161   2.970
   20    H    ASP   4           H        ASP   4   5.187  -4.561   4.436
   21    HA   ASP   4           HA       ASP   4   2.481  -5.685   4.112
   22    HB2  ASP   4           HB2      ASP   4   5.092  -6.982   4.744
   23    HB3  ASP   4           HB3      ASP   4   3.639  -7.636   5.495
   24    H    SER   5           H        SER   5   3.790  -3.421   5.774
   25    HA   SER   5           HA       SER   5   3.701  -4.106   8.485
   26    HB2  SER   5           HB2      SER   5   2.932  -1.400   7.386
   27    HB3  SER   5           HB3      SER   5   3.677  -1.767   8.941
   28    HG   SER   5           HG       SER   5   5.154  -0.964   7.327
   29    H    GLY   6           H        GLY   6   1.972  -2.552   9.830
   30    HA2  GLY   6           HA3      GLY   6  -0.594  -3.842   9.230
   31    HA3  GLY   6           HA2      GLY   6  -0.121  -3.160  10.779
   32    H    LEU   7           H        LEU   7   0.716  -0.949   8.232
   33    HA   LEU   7           HA       LEU   7  -1.742   0.686   8.818
   34    HB2  LEU   7           HB2      LEU   7   1.105   1.390   7.928
   35    HB3  LEU   7           HB3      LEU   7  -0.238   2.533   7.906
   36    HG   LEU   7           HG       LEU   7   0.005   1.121  10.552
   37   HD11  LEU   7          HD11      LEU   7   2.419   1.145  10.041
   38   HD12  LEU   7          HD12      LEU   7   2.040   2.316  11.333
   39   HD13  LEU   7          HD13      LEU   7   2.352   2.896   9.670
   40   HD21  LEU   7          HD21      LEU   7  -1.445   3.151  10.130
   41   HD22  LEU   7          HD22      LEU   7   0.027   4.118   9.818
   42   HD23  LEU   7          HD23      LEU   7  -0.260   3.426  11.438
   43    H    ARG   8           H        ARG   8  -3.228   0.018   7.090
   44    HA   ARG   8           HA       ARG   8  -2.242  -0.895   4.605
   45    HB2  ARG   8           HB2      ARG   8  -4.963   0.362   5.218
   46    HB3  ARG   8           HB3      ARG   8  -4.537  -0.360   3.647
   47    HG2  ARG   8           HG2      ARG   8  -4.111  -2.556   4.644
   48    HG3  ARG   8           HG3      ARG   8  -4.415  -1.946   6.292
   49    HD2  ARG   8           HD2      ARG   8  -6.511  -1.973   4.052
   50    HD3  ARG   8           HD3      ARG   8  -6.317  -3.238   5.315
   51    HE   ARG   8           HE       ARG   8  -6.581  -0.731   6.643
   52   HH11  ARG   8          HH11      ARG   8  -8.558  -3.006   4.670
   53   HH12  ARG   8          HH12      ARG   8 -10.043  -2.519   5.476
   54   HH21  ARG   8          HH21      ARG   8  -8.535  -0.165   7.599
   55   HH22  ARG   8          HH22      ARG   8 -10.038  -0.943   7.097
   56    H    GLU   9           H        GLU   9  -2.134   0.251   2.447
   57    HA   GLU   9           HA       GLU   9  -1.028   2.888   2.854
   58    HB2  GLU   9           HB2      GLU   9  -1.812   1.620   0.170
   59    HB3  GLU   9           HB3      GLU   9  -0.871   3.114   0.405
   60    HG2  GLU   9           HG2      GLU   9   0.958   1.791   1.539
   61    HG3  GLU   9           HG3      GLU   9   0.015   0.308   1.294
   62    H    SER  10           H        SER  10  -4.099   1.517   1.437
   63    HA   SER  10           HA       SER  10  -5.325   4.231   1.733
   64    HB2  SER  10           HB2      SER  10  -6.421   3.947  -0.466
   65    HB3  SER  10           HB3      SER  10  -4.649   3.943  -0.680
   66    HG   SER  10           HG       SER  10  -4.837   1.582  -0.854
   67    H    MET  11           H        MET  11  -7.748   4.138   1.749
   68    HA   MET  11           HA       MET  11  -8.550   2.226   3.624
   69    HB2  MET  11           HB2      MET  11 -10.876   2.965   3.249
   70    HB3  MET  11           HB3      MET  11  -9.795   4.382   3.256
   71    HG2  MET  11           HG2      MET  11  -9.914   4.479   0.724
   72    HG3  MET  11           HG3      MET  11 -10.940   3.010   0.731
   73    HE1  MET  11           HE1      MET  11 -12.978   3.837  -0.489
   74    HE2  MET  11           HE2      MET  11 -13.720   5.445  -0.222
   75    HE3  MET  11           HE3      MET  11 -12.043   5.327  -0.852
   76    H    SER  12           H        SER  12  -8.716   2.037  -0.007
   77    HA   SER  12           HA       SER  12 -10.687  -0.137   0.205
   78    HB2  SER  12           HB2      SER  12 -10.905   1.580  -1.546
   79    HB3  SER  12           HB3      SER  12  -9.348   1.069  -2.268
   80    HG   SER  12           HG       SER  12 -11.210  -0.058  -3.245
   81    H    SER  13           H        SER  13  -7.269   0.180  -1.164
   82    HA   SER  13           HA       SER  13  -7.296  -2.629  -1.861
   83    HB2  SER  13           HB2      SER  13  -5.873  -0.859  -3.023
   84    HB3  SER  13           HB3      SER  13  -4.870  -0.794  -1.548
   85    HG   SER  13           HG       SER  13  -5.224  -3.115  -3.220
   86    H    GLN  14           H        GLN  14  -5.391  -4.134  -1.000
   87    HA   GLN  14           HA       GLN  14  -5.244  -3.827   1.997
   88    HB2  GLN  14           HB2      GLN  14  -6.762  -5.697   0.979
   89    HB3  GLN  14           HB3      GLN  14  -5.254  -6.434   0.392
   90    HG2  GLN  14           HG2      GLN  14  -4.467  -6.254   2.945
   91    HG3  GLN  14           HG3      GLN  14  -6.173  -5.933   3.300
   92   HE21  GLN  14          HE21      GLN  14  -3.877  -8.338   1.790
   93   HE22  GLN  14          HE22      GLN  14  -4.904  -9.701   2.032
   94    H    THR  15           H        THR  15  -3.357  -2.441   0.625
   95    HA   THR  15           HA       THR  15  -0.939  -4.226   0.880
   96    HB   THR  15           HB       THR  15  -1.133  -3.536  -1.499
   97    HG1  THR  15           HG1      THR  15   1.040  -3.455  -0.579
   98   HG21  THR  15          HG21      THR  15  -2.520  -1.567  -1.462
   99   HG22  THR  15          HG22      THR  15  -0.921  -1.064  -2.067
  100   HG23  THR  15          HG23      THR  15  -1.400  -0.694  -0.388
  101    H    TYR  16           H        TYR  16   1.030  -2.820   1.707
  102    HA   TYR  16           HA       TYR  16  -0.020  -0.735   3.595
  103    HB2  TYR  16           HB2      TYR  16   1.869  -3.042   4.290
  104    HB3  TYR  16           HB3      TYR  16   1.259  -1.819   5.411
  105    HD1  TYR  16           HD1      TYR  16   0.234  -4.701   3.186
  106    HD2  TYR  16           HD2      TYR  16  -0.905  -2.209   6.492
  107    HE1  TYR  16           HE1      TYR  16  -1.729  -6.123   3.583
  108    HE2  TYR  16           HE2      TYR  16  -2.778  -3.725   6.993
  109    HH   TYR  16           HH       TYR  16  -3.414  -6.716   5.214
  110    H    TRP  17           H        TRP  17   1.781   0.673   4.483
  111    HA   TRP  17           HA       TRP  17   3.707   1.167   2.315
  112    HB2  TRP  17           HB2      TRP  17   3.298   2.520   5.044
  113    HB3  TRP  17           HB3      TRP  17   4.518   3.055   3.875
  114    HD1  TRP  17           HD1      TRP  17   1.063   3.834   4.776
  115    HE1  TRP  17           HE1      TRP  17  -0.065   5.190   2.978
  116    HE3  TRP  17           HE3      TRP  17   4.424   3.105   0.873
  117    HZ2  TRP  17           HZ2      TRP  17   0.232   5.813   0.340
  118    HZ3  TRP  17           HZ3      TRP  17   3.902   4.224  -1.297
  119    HH2  TRP  17           HH2      TRP  17   1.808   5.504  -1.583
  120    HA   PRO  18           HA       PRO  18   6.734  -1.422   4.485
  121    HB2  PRO  18           HB2      PRO  18   9.133  -0.512   3.503
  122    HB3  PRO  18           HB3      PRO  18   7.910  -1.195   2.382
  123    HG2  PRO  18           HG2      PRO  18   8.302   1.759   3.049
  124    HG3  PRO  18           HG3      PRO  18   8.358   1.020   1.413
  125    HD2  PRO  18           HD2      PRO  18   6.049   2.148   2.340
  126    HD3  PRO  18           HD3      PRO  18   5.947   0.582   1.445
  Start of MODEL   12
    1    H1   SER   1           H        SER   1   2.245  -0.484   0.103
    2    HA   SER   1           HA       SER   1   1.942  -0.274  -2.797
    3    HB2  SER   1           HB2      SER   1   4.214   0.753  -3.193
    4    HB3  SER   1           HB3      SER   1   3.065   1.898  -2.458
    5    HG   SER   1           HG       SER   1   4.116   1.402  -0.396
    6    H    ILE   2           H        ILE   2   4.915  -0.792  -0.733
    7    HA   ILE   2           HA       ILE   2   4.745  -3.701  -1.415
    8    HB   ILE   2           HB       ILE   2   7.240  -3.643  -1.862
    9   HG12  ILE   2          HG12      ILE   2   8.308  -1.539  -2.609
   10   HG13  ILE   2          HG13      ILE   2   6.856  -0.593  -2.216
   11   HG21  ILE   2          HG21      ILE   2   5.498  -2.063  -3.841
   12   HG22  ILE   2          HG22      ILE   2   7.015  -2.919  -4.230
   13   HG23  ILE   2          HG23      ILE   2   5.585  -3.843  -3.712
   14   HD11  ILE   2          HD11      ILE   2   8.685  -0.353  -0.511
   15   HD12  ILE   2          HD12      ILE   2   7.225  -1.039   0.229
   16   HD13  ILE   2          HD13      ILE   2   8.610  -2.104  -0.172
   17    H    GLY   3           H        GLY   3   3.949  -2.260   1.034
   18    HA2  GLY   3           HA3      GLY   3   6.123  -3.244   2.865
   19    HA3  GLY   3           HA2      GLY   3   4.939  -1.973   3.223
   20    H    ASP   4           H        ASP   4   5.236  -4.271   4.850
   21    HA   ASP   4           HA       ASP   4   2.585  -5.499   4.457
   22    HB2  ASP   4           HB2      ASP   4   5.182  -6.669   5.381
   23    HB3  ASP   4           HB3      ASP   4   3.671  -7.345   5.983
   24    H    SER   5           H        SER   5   3.733  -3.091   6.033
   25    HA   SER   5           HA       SER   5   3.515  -3.602   8.774
   26    HB2  SER   5           HB2      SER   5   2.797  -1.019   7.371
   27    HB3  SER   5           HB3      SER   5   3.289  -1.209   9.054
   28    HG   SER   5           HG       SER   5   4.834  -1.448   6.711
   29    H    GLY   6           H        GLY   6   1.669  -2.023   9.920
   30    HA2  GLY   6           HA3      GLY   6  -0.820  -3.436   9.273
   31    HA3  GLY   6           HA2      GLY   6  -0.454  -2.637  10.795
   32    H    LEU   7           H        LEU   7   0.454  -0.547   8.147
   33    HA   LEU   7           HA       LEU   7  -2.096   0.993   8.559
   34    HB2  LEU   7           HB2      LEU   7   0.680   1.955   7.669
   35    HB3  LEU   7           HB3      LEU   7  -0.825   2.900   7.719
   36    HG   LEU   7           HG       LEU   7  -0.950   2.388  10.257
   37   HD11  LEU   7          HD11      LEU   7   0.664   0.492  10.454
   38   HD12  LEU   7          HD12      LEU   7   1.275   1.876  11.372
   39   HD13  LEU   7          HD13      LEU   7   1.974   1.501   9.774
   40   HD21  LEU   7          HD21      LEU   7  -0.274   4.611   9.368
   41   HD22  LEU   7          HD22      LEU   7   1.417   4.053   9.198
   42   HD23  LEU   7          HD23      LEU   7   0.675   4.209  10.819
   43    H    ARG   8           H        ARG   8  -3.462   0.151   6.804
   44    HA   ARG   8           HA       ARG   8  -2.297  -0.834   4.449
   45    HB2  ARG   8           HB2      ARG   8  -5.123   0.252   4.869
   46    HB3  ARG   8           HB3      ARG   8  -4.580  -0.448   3.324
   47    HG2  ARG   8           HG2      ARG   8  -4.032  -2.593   4.345
   48    HG3  ARG   8           HG3      ARG   8  -4.425  -1.991   5.979
   49    HD2  ARG   8           HD2      ARG   8  -6.474  -2.175   3.697
   50    HD3  ARG   8           HD3      ARG   8  -6.167  -3.459   4.917
   51    HE   ARG   8           HE       ARG   8  -6.683  -1.018   6.312
   52   HH11  ARG   8          HH11      ARG   8  -8.406  -3.461   4.301
   53   HH12  ARG   8          HH12      ARG   8  -9.920  -3.197   5.156
   54   HH21  ARG   8          HH21      ARG   8  -8.666  -0.741   7.333
   55   HH22  ARG   8          HH22      ARG   8 -10.073  -1.682   6.833
   56    H    GLU   9           H        GLU   9  -2.120   0.129   2.216
   57    HA   GLU   9           HA       GLU   9  -1.144   2.830   2.464
   58    HB2  GLU   9           HB2      GLU   9  -1.742   1.325  -0.148
   59    HB3  GLU   9           HB3      GLU   9  -0.879   2.877   0.011
   60    HG2  GLU   9           HG2      GLU   9   0.945   1.738   1.323
   61    HG3  GLU   9           HG3      GLU   9   0.082   0.195   1.145
   62    H    SER  10           H        SER  10  -4.096   1.222   1.055
   63    HA   SER  10           HA       SER  10  -5.429   3.900   1.069
   64    HB2  SER  10           HB2      SER  10  -6.432   3.361  -1.156
   65    HB3  SER  10           HB3      SER  10  -4.656   3.471  -1.272
   66    HG   SER  10           HG       SER  10  -4.676   1.106  -1.278
   67    H    MET  11           H        MET  11  -7.849   3.684   0.944
   68    HA   MET  11           HA       MET  11  -8.712   1.846   2.950
   69    HB2  MET  11           HB2      MET  11 -10.283   3.428   0.824
   70    HB3  MET  11           HB3      MET  11 -11.085   2.454   2.078
   71    HG2  MET  11           HG2      MET  11  -9.126   4.741   2.782
   72    HG3  MET  11           HG3      MET  11 -10.896   4.939   2.626
   73    HE1  MET  11           HE1      MET  11 -10.744   4.952   6.506
   74    HE2  MET  11           HE2      MET  11  -9.581   5.745   5.393
   75    HE3  MET  11           HE3      MET  11 -11.339   5.763   5.023
   76    H    SER  12           H        SER  12  -8.912   1.714  -0.705
   77    HA   SER  12           HA       SER  12 -10.675  -0.559  -0.576
   78    HB2  SER  12           HB2      SER  12 -10.674   1.020  -2.507
   79    HB3  SER  12           HB3      SER  12  -9.037   0.470  -2.953
   80    HG   SER  12           HG       SER  12 -11.365  -1.229  -2.895
   81    H    SER  13           H        SER  13  -7.105  -0.307  -1.486
   82    HA   SER  13           HA       SER  13  -7.128  -3.151  -2.088
   83    HB2  SER  13           HB2      SER  13  -5.695  -1.495  -3.310
   84    HB3  SER  13           HB3      SER  13  -4.714  -1.299  -1.821
   85    HG   SER  13           HG       SER  13  -3.851  -2.993  -3.281
   86    H    GLN  14           H        GLN  14  -5.088  -4.484  -1.198
   87    HA   GLN  14           HA       GLN  14  -5.153  -4.313   1.816
   88    HB2  GLN  14           HB2      GLN  14  -5.023  -6.735  -0.070
   89    HB3  GLN  14           HB3      GLN  14  -4.923  -6.842   1.707
   90    HG2  GLN  14           HG2      GLN  14  -7.384  -5.684   0.254
   91    HG3  GLN  14           HG3      GLN  14  -7.180  -7.415   0.625
   92   HE21  GLN  14          HE21      GLN  14  -9.269  -7.080   1.882
   93   HE22  GLN  14          HE22      GLN  14  -9.113  -6.522   3.506
   94    H    THR  15           H        THR  15  -3.254  -2.732   0.703
   95    HA   THR  15           HA       THR  15  -0.782  -4.393   1.130
   96    HB   THR  15           HB       THR  15  -0.877  -3.991  -1.285
   97    HG1  THR  15           HG1      THR  15   1.206  -2.876  -1.294
   98   HG21  THR  15          HG21      THR  15  -2.331  -2.001  -1.449
   99   HG22  THR  15          HG22      THR  15  -0.751  -1.595  -2.168
  100   HG23  THR  15          HG23      THR  15  -1.162  -1.019  -0.531
  101    H    TYR  16           H        TYR  16   1.140  -2.775   1.725
  102    HA   TYR  16           HA       TYR  16  -0.019  -0.643   3.494
  103    HB2  TYR  16           HB2      TYR  16   1.906  -2.837   4.405
  104    HB3  TYR  16           HB3      TYR  16   1.202  -1.568   5.417
  105    HD1  TYR  16           HD1      TYR  16   0.411  -4.623   3.349
  106    HD2  TYR  16           HD2      TYR  16  -0.986  -1.990   6.437
  107    HE1  TYR  16           HE1      TYR  16  -1.580  -6.032   3.646
  108    HE2  TYR  16           HE2      TYR  16  -2.816  -3.561   6.940
  109    HH   TYR  16           HH       TYR  16  -3.621  -6.349   4.858
  110    H    TRP  17           H        TRP  17   1.711   0.851   4.379
  111    HA   TRP  17           HA       TRP  17   3.730   1.303   2.286
  112    HB2  TRP  17           HB2      TRP  17   3.113   2.784   4.907
  113    HB3  TRP  17           HB3      TRP  17   4.385   3.295   3.784
  114    HD1  TRP  17           HD1      TRP  17   0.797   3.892   4.382
  115    HE1  TRP  17           HE1      TRP  17  -0.259   5.089   2.428
  116    HE3  TRP  17           HE3      TRP  17   4.608   3.428   0.889
  117    HZ2  TRP  17           HZ2      TRP  17   0.205   5.557  -0.222
  118    HZ3  TRP  17           HZ3      TRP  17   4.135   4.218  -1.431
  119    HH2  TRP  17           HH2      TRP  17   1.956   5.250  -1.987
  120    HA   PRO  18           HA       PRO  18   6.721  -1.056   4.779
  121    HB2  PRO  18           HB2      PRO  18   9.133  -0.147   3.844
  122    HB3  PRO  18           HB3      PRO  18   7.973  -0.927   2.721
  123    HG2  PRO  18           HG2      PRO  18   8.273   2.080   3.225
  124    HG3  PRO  18           HG3      PRO  18   8.430   1.251   1.642
  125    HD2  PRO  18           HD2      PRO  18   6.056   2.367   2.410
  126    HD3  PRO  18           HD3      PRO  18   6.028   0.760   1.582
  Start of MODEL   13
    1    H1   SER   1           H        SER   1   2.221  -0.367   0.160
    2    HA   SER   1           HA       SER   1   1.565  -0.305  -2.713
    3    HB2  SER   1           HB2      SER   1   3.821   0.571  -3.386
    4    HB3  SER   1           HB3      SER   1   2.837   1.802  -2.550
    5    HG   SER   1           HG       SER   1   4.114   1.300  -0.624
    6    H    ILE   2           H        ILE   2   4.656  -0.984  -0.874
    7    HA   ILE   2           HA       ILE   2   4.266  -3.877  -1.546
    8    HB   ILE   2           HB       ILE   2   6.726  -3.949  -2.175
    9   HG12  ILE   2          HG12      ILE   2   7.849  -1.902  -2.990
   10   HG13  ILE   2          HG13      ILE   2   6.482  -0.881  -2.496
   11   HG21  ILE   2          HG21      ILE   2   6.363  -3.194  -4.518
   12   HG22  ILE   2          HG22      ILE   2   4.929  -4.045  -3.898
   13   HG23  ILE   2          HG23      ILE   2   4.928  -2.262  -4.013
   14   HD11  ILE   2          HD11      ILE   2   8.437  -0.746  -0.922
   15   HD12  ILE   2          HD12      ILE   2   6.999  -1.362  -0.082
   16   HD13  ILE   2          HD13      ILE   2   8.297  -2.493  -0.583
   17    H    GLY   3           H        GLY   3   3.721  -2.427   0.953
   18    HA2  GLY   3           HA3      GLY   3   5.964  -3.534   2.626
   19    HA3  GLY   3           HA2      GLY   3   4.884  -2.197   3.065
   20    H    ASP   4           H        ASP   4   5.168  -4.513   4.668
   21    HA   ASP   4           HA       ASP   4   2.433  -5.596   4.464
   22    HB2  ASP   4           HB2      ASP   4   3.321  -7.601   5.682
   23    HB3  ASP   4           HB3      ASP   4   3.990  -7.383   4.066
   24    H    SER   5           H        SER   5   3.818  -3.262   5.959
   25    HA   SER   5           HA       SER   5   3.769  -3.777   8.708
   26    HB2  SER   5           HB2      SER   5   4.245  -1.557   7.074
   27    HB3  SER   5           HB3      SER   5   2.884  -1.082   8.091
   28    HG   SER   5           HG       SER   5   4.111  -1.512   9.901
   29    H    GLY   6           H        GLY   6   2.098  -2.107   9.985
   30    HA2  GLY   6           HA3      GLY   6  -0.503  -3.380   9.515
   31    HA3  GLY   6           HA2      GLY   6   0.013  -2.612  11.009
   32    H    LEU   7           H        LEU   7   0.785  -0.500   8.298
   33    HA   LEU   7           HA       LEU   7  -1.725   1.064   8.823
   34    HB2  LEU   7           HB2      LEU   7   1.013   2.003   7.809
   35    HB3  LEU   7           HB3      LEU   7  -0.491   2.933   7.826
   36    HG   LEU   7           HG       LEU   7  -0.359   2.074  10.511
   37   HD11  LEU   7          HD11      LEU   7   1.941   1.098  10.163
   38   HD12  LEU   7          HD12      LEU   7   1.947   2.451  11.329
   39   HD13  LEU   7          HD13      LEU   7   2.532   2.711   9.664
   40   HD21  LEU   7          HD21      LEU   7   0.338   4.412  11.046
   41   HD22  LEU   7          HD22      LEU   7  -0.903   4.380   9.769
   42   HD23  LEU   7          HD23      LEU   7   0.809   4.669   9.340
   43    H    ARG   8           H        ARG   8  -3.200   0.401   7.123
   44    HA   ARG   8           HA       ARG   8  -2.195  -0.702   4.717
   45    HB2  ARG   8           HB2      ARG   8  -4.913   0.629   5.195
   46    HB3  ARG   8           HB3      ARG   8  -4.458  -0.219   3.693
   47    HG2  ARG   8           HG2      ARG   8  -4.047  -2.332   4.963
   48    HG3  ARG   8           HG3      ARG   8  -4.524  -1.526   6.485
   49    HD2  ARG   8           HD2      ARG   8  -6.810  -1.117   5.535
   50    HD3  ARG   8           HD3      ARG   8  -6.292  -1.930   4.017
   51    HE   ARG   8           HE       ARG   8  -5.807  -3.677   6.257
   52   HH11  ARG   8          HH11      ARG   8  -8.554  -2.312   4.370
   53   HH12  ARG   8          HH12      ARG   8  -9.568  -3.708   4.708
   54   HH21  ARG   8          HH21      ARG   8  -7.184  -5.411   6.644
   55   HH22  ARG   8          HH22      ARG   8  -8.817  -5.426   5.974
   56    H    GLU   9           H        GLU   9  -2.128   0.307   2.481
   57    HA   GLU   9           HA       GLU   9  -0.982   2.954   2.686
   58    HB2  GLU   9           HB2      GLU   9  -1.821   1.455   0.139
   59    HB3  GLU   9           HB3      GLU   9  -0.893   2.979   0.210
   60    HG2  GLU   9           HG2      GLU   9   0.978   1.793   1.409
   61    HG3  GLU   9           HG3      GLU   9   0.052   0.278   1.331
   62    H    SER  10           H        SER  10  -4.106   1.512   1.453
   63    HA   SER  10           HA       SER  10  -5.290   4.254   1.581
   64    HB2  SER  10           HB2      SER  10  -6.460   3.796  -0.591
   65    HB3  SER  10           HB3      SER  10  -4.691   3.875  -0.803
   66    HG   SER  10           HG       SER  10  -4.755   1.518  -0.876
   67    H    MET  11           H        MET  11  -7.714   4.187   1.620
   68    HA   MET  11           HA       MET  11  -8.432   2.360   3.663
   69    HB2  MET  11           HB2      MET  11 -10.658   3.336   3.622
   70    HB3  MET  11           HB3      MET  11  -9.446   4.613   3.382
   71    HG2  MET  11           HG2      MET  11 -11.233   5.118   1.865
   72    HG3  MET  11           HG3      MET  11  -9.974   4.427   0.809
   73    HE1  MET  11           HE1      MET  11 -13.080   4.771   0.029
   74    HE2  MET  11           HE2      MET  11 -11.875   4.030  -1.077
   75    HE3  MET  11           HE3      MET  11 -13.425   3.190  -0.743
   76    H    SER  12           H        SER  12  -8.933   2.185   0.066
   77    HA   SER  12           HA       SER  12 -10.879   0.028   0.381
   78    HB2  SER  12           HB2      SER  12 -11.017   1.553  -1.549
   79    HB3  SER  12           HB3      SER  12  -9.411   1.010  -2.125
   80    HG   SER  12           HG       SER  12 -11.179  -0.237  -3.114
   81    H    SER  13           H        SER  13  -7.386   0.207  -0.780
   82    HA   SER  13           HA       SER  13  -7.485  -2.593  -1.481
   83    HB2  SER  13           HB2      SER  13  -5.964  -0.803  -2.558
   84    HB3  SER  13           HB3      SER  13  -4.977  -0.901  -1.074
   85    HG   SER  13           HG       SER  13  -5.470  -3.085  -2.888
   86    H    GLN  14           H        GLN  14  -5.225  -3.857  -0.599
   87    HA   GLN  14           HA       GLN  14  -5.307  -3.762   2.395
   88    HB2  GLN  14           HB2      GLN  14  -5.645  -6.161   2.519
   89    HB3  GLN  14           HB3      GLN  14  -6.958  -5.444   1.567
   90    HG2  GLN  14           HG2      GLN  14  -4.950  -6.181  -0.399
   91    HG3  GLN  14           HG3      GLN  14  -4.955  -7.509   0.762
   92   HE21  GLN  14          HE21      GLN  14  -7.331  -5.353  -1.044
   93   HE22  GLN  14          HE22      GLN  14  -8.403  -6.648  -1.427
   94    H    THR  15           H        THR  15  -3.383  -2.472   1.039
   95    HA   THR  15           HA       THR  15  -1.024  -4.316   1.324
   96    HB   THR  15           HB       THR  15  -1.470  -3.925  -1.073
   97    HG1  THR  15           HG1      THR  15   0.854  -2.480  -0.262
   98   HG21  THR  15          HG21      THR  15  -1.258  -0.932  -0.388
   99   HG22  THR  15          HG22      THR  15  -2.644  -1.769  -1.135
  100   HG23  THR  15          HG23      THR  15  -1.121  -1.588  -2.040
  101    H    TYR  16           H        TYR  16   1.009  -2.961   2.022
  102    HA   TYR  16           HA       TYR  16   0.045  -0.646   3.692
  103    HB2  TYR  16           HB2      TYR  16   1.906  -2.920   4.521
  104    HB3  TYR  16           HB3      TYR  16   1.339  -1.606   5.562
  105    HD1  TYR  16           HD1      TYR  16   0.249  -4.648   3.590
  106    HD2  TYR  16           HD2      TYR  16  -0.816  -1.890   6.699
  107    HE1  TYR  16           HE1      TYR  16  -1.757  -5.980   4.094
  108    HE2  TYR  16           HE2      TYR  16  -2.738  -3.285   7.298
  109    HH   TYR  16           HH       TYR  16  -3.896  -5.347   6.863
  110    H    TRP  17           H        TRP  17   1.882   0.806   4.424
  111    HA   TRP  17           HA       TRP  17   3.761   1.156   2.189
  112    HB2  TRP  17           HB2      TRP  17   3.424   2.649   4.860
  113    HB3  TRP  17           HB3      TRP  17   4.633   3.105   3.649
  114    HD1  TRP  17           HD1      TRP  17   1.141   3.895   4.521
  115    HE1  TRP  17           HE1      TRP  17   0.015   5.173   2.661
  116    HE3  TRP  17           HE3      TRP  17   4.642   3.242   0.746
  117    HZ2  TRP  17           HZ2      TRP  17   0.307   5.646  -0.015
  118    HZ3  TRP  17           HZ3      TRP  17   4.045   4.083  -1.527
  119    HH2  TRP  17           HH2      TRP  17   1.899   5.255  -1.910
  120    HA   PRO  18           HA       PRO  18   6.808  -1.369   4.427
  121    HB2  PRO  18           HB2      PRO  18   9.205  -0.529   3.384
  122    HB3  PRO  18           HB3      PRO  18   7.960  -1.256   2.316
  123    HG2  PRO  18           HG2      PRO  18   8.397   1.730   2.831
  124    HG3  PRO  18           HG3      PRO  18   8.426   0.915   1.233
  125    HD2  PRO  18           HD2      PRO  18   6.147   2.113   2.148
  126    HD3  PRO  18           HD3      PRO  18   6.003   0.515   1.319
  Start of MODEL   14
    1    H1   SER   1           H        SER   1   2.144  -0.524   0.153
    2    HA   SER   1           HA       SER   1   1.608  -0.314  -2.719
    3    HB2  SER   1           HB2      SER   1   3.887   0.602  -3.295
    4    HB3  SER   1           HB3      SER   1   2.867   1.805  -2.448
    5    HG   SER   1           HG       SER   1   5.050   1.622  -1.485
    6    H    ILE   2           H        ILE   2   4.645  -0.933  -0.798
    7    HA   ILE   2           HA       ILE   2   4.391  -3.835  -1.504
    8    HB   ILE   2           HB       ILE   2   6.857  -3.811  -2.117
    9   HG12  ILE   2          HG12      ILE   2   7.893  -1.712  -2.935
   10   HG13  ILE   2          HG13      ILE   2   6.483  -0.752  -2.436
   11   HG21  ILE   2          HG21      ILE   2   5.012  -2.200  -3.974
   12   HG22  ILE   2          HG22      ILE   2   6.483  -3.087  -4.458
   13   HG23  ILE   2          HG23      ILE   2   5.070  -3.982  -3.850
   14   HD11  ILE   2          HD11      ILE   2   7.020  -1.220  -0.026
   15   HD12  ILE   2          HD12      ILE   2   8.365  -2.293  -0.529
   16   HD13  ILE   2          HD13      ILE   2   8.429  -0.540  -0.867
   17    H    GLY   3           H        GLY   3   3.749  -2.435   0.982
   18    HA2  GLY   3           HA3      GLY   3   6.015  -3.455   2.684
   19    HA3  GLY   3           HA2      GLY   3   4.877  -2.160   3.112
   20    H    ASP   4           H        ASP   4   5.208  -4.461   4.713
   21    HA   ASP   4           HA       ASP   4   2.523  -5.649   4.449
   22    HB2  ASP   4           HB2      ASP   4   5.154  -6.867   4.983
   23    HB3  ASP   4           HB3      ASP   4   3.855  -7.422   6.034
   24    H    SER   5           H        SER   5   3.792  -3.269   5.981
   25    HA   SER   5           HA       SER   5   3.695  -3.798   8.727
   26    HB2  SER   5           HB2      SER   5   4.515  -1.684   7.457
   27    HB3  SER   5           HB3      SER   5   2.838  -1.152   7.582
   28    HG   SER   5           HG       SER   5   4.182  -0.450   9.339
   29    H    GLY   6           H        GLY   6   1.936  -2.172   9.958
   30    HA2  GLY   6           HA3      GLY   6  -0.613  -3.524   9.413
   31    HA3  GLY   6           HA2      GLY   6  -0.155  -2.767  10.932
   32    H    LEU   7           H        LEU   7   0.671  -0.665   8.286
   33    HA   LEU   7           HA       LEU   7  -1.809   0.952   8.795
   34    HB2  LEU   7           HB2      LEU   7   1.081   1.632   8.070
   35    HB3  LEU   7           HB3      LEU   7  -0.208   2.705   7.516
   36    HG   LEU   7           HG       LEU   7  -0.070   1.932  10.471
   37   HD11  LEU   7          HD11      LEU   7   2.187   2.813   9.945
   38   HD12  LEU   7          HD12      LEU   7   1.269   4.028  10.873
   39   HD13  LEU   7          HD13      LEU   7   1.478   4.226   9.107
   40   HD21  LEU   7          HD21      LEU   7  -1.247   4.125  10.756
   41   HD22  LEU   7          HD22      LEU   7  -2.158   3.137   9.590
   42   HD23  LEU   7          HD23      LEU   7  -1.112   4.459   9.009
   43    H    ARG   8           H        ARG   8  -3.335   0.509   7.069
   44    HA   ARG   8           HA       ARG   8  -2.327  -0.817   4.724
   45    HB2  ARG   8           HB2      ARG   8  -5.057   0.533   5.147
   46    HB3  ARG   8           HB3      ARG   8  -4.541  -0.259   3.638
   47    HG2  ARG   8           HG2      ARG   8  -5.876  -1.856   4.772
   48    HG3  ARG   8           HG3      ARG   8  -4.205  -2.442   4.879
   49    HD2  ARG   8           HD2      ARG   8  -4.043  -1.721   7.215
   50    HD3  ARG   8           HD3      ARG   8  -5.603  -0.911   7.201
   51    HE   ARG   8           HE       ARG   8  -5.022  -3.786   7.481
   52   HH11  ARG   8          HH11      ARG   8  -7.599  -1.496   6.372
   53   HH12  ARG   8          HH12      ARG   8  -8.852  -2.694   6.649
   54   HH21  ARG   8          HH21      ARG   8  -6.709  -5.223   7.779
   55   HH22  ARG   8          HH22      ARG   8  -8.370  -4.748   7.423
   56    H    GLU   9           H        GLU   9  -2.157   0.181   2.463
   57    HA   GLU   9           HA       GLU   9  -1.035   2.834   2.718
   58    HB2  GLU   9           HB2      GLU   9  -1.784   1.427   0.095
   59    HB3  GLU   9           HB3      GLU   9  -0.860   2.938   0.273
   60    HG2  GLU   9           HG2      GLU   9   0.965   1.681   1.484
   61    HG3  GLU   9           HG3      GLU   9   0.022   0.188   1.313
   62    H    SER  10           H        SER  10  -4.022   1.405   1.127
   63    HA   SER  10           HA       SER  10  -5.262   4.145   1.254
   64    HB2  SER  10           HB2      SER  10  -6.343   3.543  -0.912
   65    HB3  SER  10           HB3      SER  10  -4.553   3.550  -1.056
   66    HG   SER  10           HG       SER  10  -5.482   1.575  -1.969
   67    H    MET  11           H        MET  11  -7.677   4.044   1.264
   68    HA   MET  11           HA       MET  11  -8.441   2.249   3.357
   69    HB2  MET  11           HB2      MET  11 -10.626   3.280   3.299
   70    HB3  MET  11           HB3      MET  11  -9.386   4.537   3.050
   71    HG2  MET  11           HG2      MET  11  -9.908   4.369   0.496
   72    HG3  MET  11           HG3      MET  11 -11.280   3.305   0.938
   73    HE1  MET  11           HE1      MET  11 -13.257   5.097   0.016
   74    HE2  MET  11           HE2      MET  11 -12.948   6.859   0.160
   75    HE3  MET  11           HE3      MET  11 -11.782   5.816  -0.717
   76    H    SER  12           H        SER  12  -8.821   2.043  -0.237
   77    HA   SER  12           HA       SER  12 -10.832  -0.076   0.041
   78    HB2  SER  12           HB2      SER  12  -9.296   0.848  -2.449
   79    HB3  SER  12           HB3      SER  12 -10.778  -0.147  -2.418
   80    HG   SER  12           HG       SER  12 -11.818   1.774  -1.423
   81    H    SER  13           H        SER  13  -7.302   0.076  -0.982
   82    HA   SER  13           HA       SER  13  -7.385  -2.736  -1.715
   83    HB2  SER  13           HB2      SER  13  -5.872  -0.954  -2.785
   84    HB3  SER  13           HB3      SER  13  -4.912  -0.989  -1.277
   85    HG   SER  13           HG       SER  13  -5.315  -3.224  -3.057
   86    H    GLN  14           H        GLN  14  -5.140  -3.982  -0.778
   87    HA   GLN  14           HA       GLN  14  -5.305  -3.871   2.215
   88    HB2  GLN  14           HB2      GLN  14  -5.643  -6.263   2.334
   89    HB3  GLN  14           HB3      GLN  14  -6.881  -5.590   1.255
   90    HG2  GLN  14           HG2      GLN  14  -4.745  -6.296  -0.542
   91    HG3  GLN  14           HG3      GLN  14  -4.708  -7.583   0.665
   92   HE21  GLN  14          HE21      GLN  14  -7.054  -5.692  -1.431
   93   HE22  GLN  14          HE22      GLN  14  -8.054  -7.056  -1.770
   94    H    THR  15           H        THR  15  -3.341  -2.572   0.790
   95    HA   THR  15           HA       THR  15  -0.967  -4.391   1.196
   96    HB   THR  15           HB       THR  15  -1.167  -3.840  -1.210
   97    HG1  THR  15           HG1      THR  15   1.003  -3.759  -0.338
   98   HG21  THR  15          HG21      THR  15  -2.507  -1.836  -1.321
   99   HG22  THR  15          HG22      THR  15  -0.892  -1.380  -1.918
  100   HG23  THR  15          HG23      THR  15  -1.387  -0.939  -0.261
  101    H    TYR  16           H        TYR  16   1.049  -2.852   1.844
  102    HA   TYR  16           HA       TYR  16   0.001  -0.709   3.666
  103    HB2  TYR  16           HB2      TYR  16   1.933  -2.956   4.440
  104    HB3  TYR  16           HB3      TYR  16   1.309  -1.697   5.517
  105    HD1  TYR  16           HD2      TYR  16   0.349  -4.697   3.425
  106    HD2  TYR  16           HD1      TYR  16  -0.872  -2.066   6.599
  107    HE1  TYR  16           HE2      TYR  16  -1.568  -6.157   3.900
  108    HE2  TYR  16           HE1      TYR  16  -2.603  -3.681   7.260
  109    HH   TYR  16           HH       TYR  16  -3.383  -6.621   5.387
  110    H    TRP  17           H        TRP  17   1.834   0.729   4.483
  111    HA   TRP  17           HA       TRP  17   3.722   1.141   2.259
  112    HB2  TRP  17           HB2      TRP  17   3.315   2.632   4.916
  113    HB3  TRP  17           HB3      TRP  17   4.523   3.114   3.716
  114    HD1  TRP  17           HD1      TRP  17   1.065   3.904   4.584
  115    HE1  TRP  17           HE1      TRP  17  -0.087   5.142   2.718
  116    HE3  TRP  17           HE3      TRP  17   4.414   2.992   0.712
  117    HZ2  TRP  17           HZ2      TRP  17   0.189   5.616   0.047
  118    HZ3  TRP  17           HZ3      TRP  17   3.868   3.971  -1.515
  119    HH2  TRP  17           HH2      TRP  17   1.757   5.209  -1.864
  120    HA   PRO  18           HA       PRO  18   6.812  -1.290   4.501
  121    HB2  PRO  18           HB2      PRO  18   9.188  -0.403   3.437
  122    HB3  PRO  18           HB3      PRO  18   7.949  -1.150   2.378
  123    HG2  PRO  18           HG2      PRO  18   8.326   1.840   2.901
  124    HG3  PRO  18           HG3      PRO  18   8.363   1.033   1.299
  125    HD2  PRO  18           HD2      PRO  18   6.057   2.173   2.227
  126    HD3  PRO  18           HD3      PRO  18   5.956   0.575   1.392
  Start of MODEL   15
    1    H1   SER   1           H        SER   1   2.183  -0.377   0.113
    2    HA   SER   1           HA       SER   1   1.675  -0.065  -2.749
    3    HB2  SER   1           HB2      SER   1   3.959   0.876  -3.265
    4    HB3  SER   1           HB3      SER   1   2.914   2.034  -2.389
    5    HG   SER   1           HG       SER   1   5.095   1.839  -1.408
    6    H    ILE   2           H        ILE   2   4.712  -0.745  -0.832
    7    HA   ILE   2           HA       ILE   2   4.455  -3.625  -1.624
    8    HB   ILE   2           HB       ILE   2   6.931  -3.589  -2.191
    9   HG12  ILE   2          HG12      ILE   2   8.000  -1.478  -2.905
   10   HG13  ILE   2          HG13      ILE   2   6.590  -0.522  -2.406
   11   HG21  ILE   2          HG21      ILE   2   6.608  -2.771  -4.513
   12   HG22  ILE   2          HG22      ILE   2   5.181  -3.682  -3.966
   13   HG23  ILE   2          HG23      ILE   2   5.132  -1.897  -4.021
   14   HD11  ILE   2          HD11      ILE   2   8.407  -2.147  -0.505
   15   HD12  ILE   2          HD12      ILE   2   8.502  -0.387  -0.776
   16   HD13  ILE   2          HD13      ILE   2   7.063  -1.076  -0.002
   17    H    GLY   3           H        GLY   3   3.799  -2.261   0.907
   18    HA2  GLY   3           HA3      GLY   3   6.038  -3.334   2.597
   19    HA3  GLY   3           HA2      GLY   3   4.874  -2.077   3.055
   20    H    ASP   4           H        ASP   4   5.224  -4.435   4.574
   21    HA   ASP   4           HA       ASP   4   2.556  -5.641   4.237
   22    HB2  ASP   4           HB2      ASP   4   5.110  -6.878   5.272
   23    HB3  ASP   4           HB3      ASP   4   3.528  -7.627   5.459
   24    H    SER   5           H        SER   5   3.781  -3.299   5.862
   25    HA   SER   5           HA       SER   5   3.653  -3.918   8.588
   26    HB2  SER   5           HB2      SER   5   4.228  -1.667   7.137
   27    HB3  SER   5           HB3      SER   5   2.684  -1.233   7.870
   28    HG   SER   5           HG       SER   5   5.001  -1.106   9.010
   29    H    GLY   6           H        GLY   6   1.862  -2.350   9.848
   30    HA2  GLY   6           HA3      GLY   6  -0.666  -3.708   9.224
   31    HA3  GLY   6           HA2      GLY   6  -0.236  -2.997  10.773
   32    H    LEU   7           H        LEU   7   0.560  -0.724   8.210
   33    HA   LEU   7           HA       LEU   7  -2.012   0.743   8.754
   34    HB2  LEU   7           HB2      LEU   7   0.754   1.720   7.862
   35    HB3  LEU   7           HB3      LEU   7  -0.748   2.649   7.649
   36    HG   LEU   7           HG       LEU   7  -1.175   2.639  10.105
   37   HD11  LEU   7          HD11      LEU   7   0.006   0.561  10.811
   38   HD12  LEU   7          HD12      LEU   7   0.680   1.956  11.680
   39   HD13  LEU   7          HD13      LEU   7   1.576   1.252  10.302
   40   HD21  LEU   7          HD21      LEU   7   0.612   4.278  10.697
   41   HD22  LEU   7          HD22      LEU   7   0.043   4.548   9.031
   42   HD23  LEU   7          HD23      LEU   7   1.601   3.721   9.316
   43    H    ARG   8           H        ARG   8  -3.499   0.379   6.956
   44    HA   ARG   8           HA       ARG   8  -2.406  -0.888   4.619
   45    HB2  ARG   8           HB2      ARG   8  -5.167   0.405   4.981
   46    HB3  ARG   8           HB3      ARG   8  -4.595  -0.331   3.467
   47    HG2  ARG   8           HG2      ARG   8  -5.938  -1.988   4.535
   48    HG3  ARG   8           HG3      ARG   8  -4.263  -2.548   4.647
   49    HD2  ARG   8           HD2      ARG   8  -4.133  -1.899   7.006
   50    HD3  ARG   8           HD3      ARG   8  -5.700  -1.112   6.997
   51    HE   ARG   8           HE       ARG   8  -5.079  -3.981   7.196
   52   HH11  ARG   8          HH11      ARG   8  -7.680  -1.699   6.134
   53   HH12  ARG   8          HH12      ARG   8  -8.918  -2.922   6.367
   54   HH21  ARG   8          HH21      ARG   8  -6.743  -5.450   7.440
   55   HH22  ARG   8          HH22      ARG   8  -8.409  -4.993   7.086
   56    H    GLU   9           H        GLU   9  -2.173   0.192   2.385
   57    HA   GLU   9           HA       GLU   9  -1.076   2.835   2.758
   58    HB2  GLU   9           HB2      GLU   9  -1.784   1.528   0.074
   59    HB3  GLU   9           HB3      GLU   9  -0.879   3.041   0.315
   60    HG2  GLU   9           HG2      GLU   9   0.946   1.768   1.506
   61    HG3  GLU   9           HG3      GLU   9   0.037   0.265   1.269
   62    H    SER  10           H        SER  10  -4.055   1.460   1.100
   63    HA   SER  10           HA       SER  10  -5.289   4.192   1.315
   64    HB2  SER  10           HB2      SER  10  -6.325   3.687  -0.915
   65    HB3  SER  10           HB3      SER  10  -4.532   3.718  -0.998
   66    HG   SER  10           HG       SER  10  -5.422   1.779  -2.032
   67    H    MET  11           H        MET  11  -7.698   4.109   1.295
   68    HA   MET  11           HA       MET  11  -8.565   2.269   3.255
   69    HB2  MET  11           HB2      MET  11 -10.833   3.127   2.939
   70    HB3  MET  11           HB3      MET  11  -9.656   4.465   2.926
   71    HG2  MET  11           HG2      MET  11  -9.824   4.539   0.376
   72    HG3  MET  11           HG3      MET  11 -11.062   3.248   0.447
   73    HE1  MET  11           HE1      MET  11 -12.972   6.721  -0.298
   74    HE2  MET  11           HE2      MET  11 -11.226   6.526  -0.655
   75    HE3  MET  11           HE3      MET  11 -12.374   5.196  -1.032
   76    H    SER  12           H        SER  12  -8.850   2.090  -0.377
   77    HA   SER  12           HA       SER  12 -10.758  -0.122  -0.118
   78    HB2  SER  12           HB2      SER  12 -10.949   1.500  -1.968
   79    HB3  SER  12           HB3      SER  12  -9.363   0.977  -2.615
   80    HG   SER  12           HG       SER  12 -11.173  -0.238  -3.587
   81    H    SER  13           H        SER  13  -7.294   0.203  -1.352
   82    HA   SER  13           HA       SER  13  -7.238  -2.604  -1.999
   83    HB2  SER  13           HB2      SER  13  -5.743  -0.811  -3.069
   84    HB3  SER  13           HB3      SER  13  -4.825  -0.774  -1.538
   85    HG   SER  13           HG       SER  13  -5.105  -3.071  -3.255
   86    H    GLN  14           H        GLN  14  -5.241  -3.996  -1.012
   87    HA   GLN  14           HA       GLN  14  -5.355  -3.734   1.986
   88    HB2  GLN  14           HB2      GLN  14  -6.950  -5.421   0.779
   89    HB3  GLN  14           HB3      GLN  14  -5.486  -6.344   0.367
   90    HG2  GLN  14           HG2      GLN  14  -4.964  -6.505   2.868
   91    HG3  GLN  14           HG3      GLN  14  -6.472  -5.625   3.221
   92   HE21  GLN  14          HE21      GLN  14  -8.587  -6.648   2.120
   93   HE22  GLN  14          HE22      GLN  14  -8.645  -8.369   2.155
   94    H    THR  15           H        THR  15  -3.354  -2.478   0.648
   95    HA   THR  15           HA       THR  15  -1.017  -4.343   1.026
   96    HB   THR  15           HB       THR  15  -1.174  -3.704  -1.375
   97    HG1  THR  15           HG1      THR  15   0.987  -3.710  -0.473
   98   HG21  THR  15          HG21      THR  15  -1.344  -0.834  -0.316
   99   HG22  THR  15          HG22      THR  15  -2.463  -1.659  -1.424
  100   HG23  THR  15          HG23      THR  15  -0.829  -1.224  -1.977
  101    H    TYR  16           H        TYR  16   1.032  -2.788   1.703
  102    HA   TYR  16           HA       TYR  16  -0.036  -0.718   3.591
  103    HB2  TYR  16           HB2      TYR  16   1.910  -2.969   4.316
  104    HB3  TYR  16           HB3      TYR  16   1.267  -1.749   5.422
  105    HD1  TYR  16           HD1      TYR  16   0.354  -4.692   3.229
  106    HD2  TYR  16           HD2      TYR  16  -0.918  -2.185   6.478
  107    HE1  TYR  16           HE1      TYR  16  -1.568  -6.170   3.618
  108    HE2  TYR  16           HE2      TYR  16  -2.652  -3.826   7.054
  109    HH   TYR  16           HH       TYR  16  -3.368  -6.723   5.100
  110    H    TRP  17           H        TRP  17   1.773   0.720   4.448
  111    HA   TRP  17           HA       TRP  17   3.683   1.212   2.258
  112    HB2  TRP  17           HB2      TRP  17   3.230   2.618   4.957
  113    HB3  TRP  17           HB3      TRP  17   4.449   3.148   3.790
  114    HD1  TRP  17           HD1      TRP  17   0.968   3.871   4.633
  115    HE1  TRP  17           HE1      TRP  17  -0.165   5.167   2.795
  116    HE3  TRP  17           HE3      TRP  17   4.392   3.140   0.790
  117    HZ2  TRP  17           HZ2      TRP  17   0.158   5.753   0.149
  118    HZ3  TRP  17           HZ3      TRP  17   3.880   4.204  -1.407
  119    HH2  TRP  17           HH2      TRP  17   1.766   5.440  -1.745
  120    HA   PRO  18           HA       PRO  18   6.777  -1.244   4.479
  121    HB2  PRO  18           HB2      PRO  18   9.163  -0.267   3.515
  122    HB3  PRO  18           HB3      PRO  18   7.972  -1.012   2.403
  123    HG2  PRO  18           HG2      PRO  18   8.260   1.976   3.011
  124    HG3  PRO  18           HG3      PRO  18   8.365   1.218   1.393
  125    HD2  PRO  18           HD2      PRO  18   6.018   2.275   2.293
  126    HD3  PRO  18           HD3      PRO  18   5.955   0.698   1.419