*HEADER    VIRAL PROTEIN                           05-NOV-12   2M0S              
*TITLE     SOLUTION STRUCTURE OF THE TRANS-MEMBRANE DOMAIN OF THE NS2A OF DENGUE 
*TITLE    2 VIRUS                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NS2A PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1194-1221;                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: DENGUE VIRUS 2;                                 
*SOURCE   4 ORGANISM_TAXID: 11060                                                
*KEYWDS    NONSTRUCTURAL PROTEIN, MEMBRANE PROTEIN, VIRAL PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.GAYEN, C.KANG                                                       
*REVDAT   1   27-FEB-13 2M0S    0                                                


 13 ALA  H      14 ALA  H       2.90            #peak     1
 12 LEU  H      13 ALA  H       2.83            #peak     2
  3 GLY  HA3     4 MET  H       3.64            #peak     3
  3 GLY  H       4 MET  H       3.70            #peak     4
 15 PHE  H      15 PHE  HA      3.02            #peak     5
 21 PHE  H      21 PHE  HA      2.86            #peak     6
  6 VAL  H       6 VAL  HA      3.11            #peak     8
  7 THR  H       8 TYR  H       3.30            #peak     9
  7 THR  H       9 LEU  H       4.23            #peak    10
 10 ALA  H      11 LEU  H       2.83            #peak    11
  9 LEU  H      10 ALA  H       2.83            #peak    12
 24 GLY  H      24 GLY  HA2     2.92            #peak    13
 24 GLY  HA2    25 LEU  H       2.99            #peak    14
 18 ARG  H      18 ARG  HB3     3.10            #peak    17
 17 VAL  H      17 VAL  HA      2.96            #peak    18
 26 LEU  H      26 LEU  HA      2.86            #peak    19
 26 LEU  HA     27 LEU  H       3.45            #peak    20
  6 VAL  HA      9 LEU  H       3.66            #peak    21
  6 VAL  H       6 VAL  HB      3.11            #peak    24
  6 VAL  HB      7 THR  H       3.66            #peak    25
  5 GLY  H       5 GLY  HA2     2.80            #peak    26
  5 GLY  HA2     7 THR  H       4.10            #peak    27
  6 VAL  HA      7 THR  H       3.83            #peak    28
  4 MET  H       4 MET  HA      3.17            #peak    29
  4 MET  HA      7 THR  H       3.67            #peak    30
  4 MET  HA      5 GLY  H       4.17            #peak    31
 15 PHE  H      15 PHE  HB3     2.83            #peak    32
 15 PHE  H      15 PHE  HB2     3.02            #peak    33
  5 GLY  HA2     6 VAL  H       3.27            #peak    34
 15 PHE  HA     16 LYS  H       3.42            #peak    35
 16 LYS  H      16 LYS  HA      3.11            #peak    36
  6 VAL  HA     10 ALA  H       3.76            #peak    37
  9 LEU  H       9 LEU  HA      2.86            #peak    38
  9 LEU  HA     10 ALA  H       3.48            #peak    39
  7 THR  H       7 THR  HB      3.05            #peak    40
  7 THR  HB     10 ALA  H       5.50            #peak    41
 10 ALA  H      10 ALA  HA      2.80            #peak    42
  1 ASP  HA      2 ILE  H       2.93            #peak    43
  8 TYR  H       8 TYR  HA      3.02            #peak    44
  7 THR  HA      8 TYR  H       3.51            #peak    45
  7 THR  H       7 THR  HA      2.99            #peak    46
  5 GLY  HA2     8 TYR  H       3.64            #peak    47
  7 THR  HB      8 TYR  H       3.97            #peak    48
  8 TYR  HA      9 LEU  H       3.52            #peak    49
  8 TYR  HA     12 LEU  H       3.89            #peak    50
  8 TYR  HA     11 LEU  H       4.60            #peak    51
 15 PHE  HB2    16 LYS  H       3.70            #peak    52
 15 PHE  HB3    16 LYS  H       3.27            #peak    53
  2 ILE  H       2 ILE  HB      3.14            #peak    71
  2 ILE  HB      3 GLY  H       3.98            #peak    72
  1 ASP  H       1 ASP  HB3     3.86            #peak    74
  1 ASP  H       1 ASP  HB2     3.92            #peak    75
  1 ASP  HB3     2 ILE  H       3.83            #peak    76
  1 ASP  HB2     2 ILE  H       4.29            #peak    77
  2 ILE  HA      3 GLY  H       3.98            #peak    78
 10 ALA  HA     13 ALA  H       3.48            #peak    79
 13 ALA  H      13 ALA  HA      2.74            #peak    80
  9 LEU  HA     13 ALA  H       3.70            #peak    81
 12 LEU  H      12 LEU  HA      2.77            #peak    82
 11 LEU  HA     15 PHE  H       3.58            #peak    83
 19 PRO  HA     22 ALA  H       3.24            #peak    84
  7 THR  HB     11 LEU  H       4.29            #peak    85
 20 THR  HA     21 PHE  H       3.57            #peak    86
 20 THR  HA     24 GLY  H       3.75            #peak    87
 23 ALA  H      23 ALA  HA      2.65            #peak    88
  8 TYR  H      10 ALA  H       3.88            #peak    89
 15 PHE  H      16 LYS  H       3.11            #peak    90
 14 ALA  H      15 PHE  H       3.02            #peak    91
  4 MET  H       5 GLY  H       3.64            #peak    92
  8 TYR  H       9 LEU  H       3.02            #peak    93
  6 VAL  H       7 THR  H       3.42            #peak    94
  7 THR  H      10 ALA  H       4.34            #peak    95
  4 MET  H       6 VAL  H       4.10            #peak    96
 21 PHE  H      22 ALA  H       3.64            #peak    97
 22 ALA  H      23 ALA  H       3.42            #peak    98
  8 TYR  H      12 LEU  H       5.00            #peak    99
  9 LEU  H      12 LEU  H       4.29            #peak   100
  4 MET  H       4 MET  HB3     3.06            #peak   102
 20 THR  H      20 THR  HB      3.30            #peak   109
 20 THR  H      20 THR  HA      3.24            #peak   110
 20 THR  H      21 PHE  H       3.45            #peak   111
 24 GLY  H      25 LEU  H       3.24            #peak   112
 17 VAL  H      17 VAL  HB      3.27            #peak   113
 17 VAL  HB     18 ARG  H       3.52            #peak   114
  4 MET  HB3     5 GLY  H       3.55            #peak   115
  1 ASP  H       4 MET  HB3     3.95            #peak   116
  4 MET  HB3     8 TYR  H       4.93            #peak   117
 12 LEU  H      12 LEU  HB2     2.86            #peak   118
 11 LEU  HA     12 LEU  H       3.36            #peak   119
 14 ALA  H      14 ALA  HA      2.65            #peak   120
  1 ASP  H       1 ASP  HA      3.58            #peak   121
 25 LEU  H      25 LEU  HA      2.93            #peak   122
 27 LEU  H      27 LEU  HA      2.90            #peak   123
 24 GLY  HA2    26 LEU  HB2     3.83            #peak   124
  9 LEU  H      11 LEU  H       4.17            #peak   125
 17 VAL  H      18 ARG  H       3.61            #peak   130
 12 LEU  H      12 LEU  HB3     3.17            #peak   131
 12 LEU  HB2    13 ALA  H       3.27            #peak   132
 21 PHE  H      21 PHE  HB3     2.96            #peak   137
 21 PHE  HA     24 GLY  H       4.04            #peak   138
 20 THR  H      23 ALA  H       4.55            #peak   139
 23 ALA  H      25 LEU  H       4.26            #peak   140
 13 ALA  HA     15 PHE  H       3.74            #peak   141
 11 LEU  H      12 LEU  H       3.45            #peak   151
 12 LEU  H      15 PHE  H       3.86            #peak   152
  8 TYR  H       8 TYR  HB3     2.49            #peak   156
  9 LEU  H       9 LEU  HB2     2.55            #peak   158
  9 LEU  H       9 LEU  HB3     3.37            #peak   159
 11 LEU  H      11 LEU  HB2     2.83            #peak   163
 11 LEU  H      11 LEU  HB3     3.51            #peak   164
 25 LEU  H      25 LEU  HB3     2.65            #peak   173
 27 LEU  H      27 LEU  HB3     3.27            #peak   176
 27 LEU  H      27 LEU  HB2     2.80            #peak   177
 28 ARG  H      28 ARG  HB3     4.23            #peak   178
 22 ALA  HA     25 LEU  H       3.27            #peak   179
 26 LEU  H      26 LEU  HB3     3.44            #peak   180
 26 LEU  H      26 LEU  HB2     2.93            #peak   181
 20 THR  HB     21 PHE  H       3.11            #peak   185
 17 VAL  HA     18 ARG  H       3.31            #peak   186
 23 ALA  HA     24 GLY  H       3.45            #peak   187
  3 GLY  HA3     6 VAL  H       3.92            #peak   190
  3 GLY  HA3     5 GLY  H       4.10            #peak   191
  3 GLY  HA3     4 MET  H       3.58            #peak   192
  8 TYR  HA     10 ALA  H       4.57            #peak   193
  4 MET  HA      6 VAL  H       4.54            #peak   194
 21 PHE  HB2    22 ALA  H       3.14            #peak   195
  8 TYR  HB3     9 LEU  H       3.10            #peak   196
 21 PHE  HB3    22 ALA  H       3.52            #peak   197
 11 LEU  HB2    12 LEU  H       3.24            #peak   198
 11 LEU  HB3    12 LEU  H       3.86            #peak   199
  9 LEU  HB2    10 ALA  H       3.14            #peak   200
  9 LEU  HB3    10 ALA  H       4.14            #peak   201
 16 LYS  H      16 LYS  HB2     2.99            #peak   205
 12 LEU  HA     15 PHE  HB2     3.79            #peak   213
 12 LEU  HA     15 PHE  HB3     3.86            #peak   214
  5 GLY  HA2     8 TYR  HB3     3.05            #peak   215
  8 TYR  HA     11 LEU  HB2     4.34            #peak   217
 19 PRO  HB3    20 THR  H       4.34            #peak   218
 19 PRO  HB2    20 THR  H       4.42            #peak   219
 13 ALA  HA     16 LYS  HB2     3.52            #peak   220
  6 VAL  HA      9 LEU  HB2     3.42            #peak   221
  6 VAL  HA      9 LEU  HB3     3.95            #peak   223
 22 ALA  HA     25 LEU  HB3     3.39            #peak   232
 11 LEU  H      11 LEU  HA      2.90            #peak   235
  9 LEU  HA     12 LEU  HB2     3.92            #peak   236
 19 PRO  HB2    19 PRO  HA      4.07            #peak   241
 19 PRO  HA     20 THR  H       3.36            #peak   246
 21 PHE  H      21 PHE  HB2     2.99            #peak   247
 22 ALA  H      22 ALA  HA      2.90            #peak   249
 18 ARG  H      18 ARG  HG2     4.66            #peak    15
 18 ARG  H      18 ARG  HG3     4.76            #peak    16
  2 ILE  H       2 ILE  HG12    4.57            #peak    69
  2 ILE  H       2 ILE  HG13    4.60            #peak    70
  4 MET  H       4 MET  HG3     5.50            #peak   103
  4 MET  H       4 MET  HG2     5.13            #peak   104
 18 ARG  H      19 PRO  HD3     4.20            #peak   105
 18 ARG  H      19 PRO  HD2     4.20            #peak   106
 19 PRO  HD3    20 THR  H       4.72            #peak   107
 19 PRO  HD2    20 THR  H       5.31            #peak   108
 18 ARG  HG3    18 ARG  HE      5.16            #peak   147
 18 ARG  HG2    18 ARG  HE      4.91            #peak   148
 18 ARG  HB3    18 ARG  HE      4.54            #peak   149
 18 ARG  HD2    18 ARG  HE      3.33            #peak   150
  8 TYR  HA      8 TYR  HD1     3.85            #peak   153
  5 GLY  HA2     8 TYR  HD1     4.97            #peak   154
  8 TYR  HD1     9 LEU  HB2     4.82            #peak   157
  9 LEU  H       9 LEU  HG      3.70            #peak   160
  8 TYR  HD1     9 LEU  HG      4.88            #peak   161
 11 LEU  H      11 LEU  HG      2.80            #peak   165
 25 LEU  H      25 LEU  HG      3.58            #peak   172
 19 PRO  HG3    20 THR  H       4.88            #peak   189
 16 LYS  H      16 LYS  HD2     4.48            #peak   203
 16 LYS  H      16 LYS  HD3     5.07            #peak   204
 18 ARG  HD2    19 PRO  HA      4.69            #peak   216
 18 ARG  HG2    19 PRO  HD2     5.50            #peak   229
 18 ARG  HD2    19 PRO  HD2     5.50            #peak   230
 18 ARG  HD2    19 PRO  HD3     5.50            #peak   231
  7 THR  HB     11 LEU  HB2     5.50            #peak   237
 #19 PRO  HD2    23 ALA  H       5.71            #peak   250
  1 ASP  HB2     4 MET  HB3     4.63            #peak   253
  1 ASP  HB3     4 MET  HB3     4.85            #peak   254
 14 ALA  HA     16 LYS  HD3     5.10            #peak   255
  6 VAL  H       6 VAL  QG1     5.00            #peak    22
  6 VAL  H       6 VAL  QG2     4.19            #peak    23
 20 THR  QG2    23 ALA  H       6.33            #peak    54
 17 VAL  QG1    18 ARG  H       5.40            #peak    55
 17 VAL  QG2    18 ARG  H       5.65            #peak    56
 20 THR  H      20 THR  QG2     5.28            #peak    57
 20 THR  QG2    21 PHE  H       5.81            #peak    58
  6 VAL  QG1     7 THR  H       5.53            #peak    59
  6 VAL  QG2     7 THR  H       5.59            #peak    60
  7 THR  H       7 THR  QG2     5.28            #peak    61
  7 THR  QG2     8 TYR  H       5.46            #peak    62
  7 THR  QG2    11 LEU  H       5.90            #peak    63
  7 THR  H      10 ALA  QB      6.24            #peak    64
 10 ALA  H      10 ALA  QB      3.42            #peak    65
 13 ALA  H      13 ALA  QB      3.42            #peak    66
 14 ALA  H      14 ALA  QB      3.42            #peak    67
  2 ILE  H       2 ILE  QD1     5.22            #peak    68
  2 ILE  QD1     3 GLY  H       6.12            #peak    73
 11 LEU  H      11 LEU  QQD     6.57            #peak   126
 11 LEU  QQD    12 LEU  H       7.60            #peak   127
  6 VAL  QG1     7 THR  HB      5.28            #peak   128
  6 VAL  QG1    10 ALA  H       6.15            #peak   129
 12 LEU  H      12 LEU  QQD     7.41            #peak   133
 12 LEU  QQD    13 ALA  H       7.60            #peak   134
  9 LEU  H      12 LEU  QQD     7.60            #peak   135
 22 ALA  H      22 ALA  QB      3.70            #peak   136
 22 ALA  QB     23 ALA  H       3.98            #peak   142
 14 ALA  QB     15 PHE  H       4.19            #peak   143
 23 ALA  QB     24 GLY  H       4.38            #peak   144
  8 TYR  H      11 LEU  QQD     7.60            #peak   145
  9 LEU  QQD    10 ALA  H       7.60            #peak   146
  6 VAL  H       9 LEU  QQD     7.60            #peak   170
 17 VAL  H      17 VAL  QG2     4.19            #peak   171
 25 LEU  H      25 LEU  QQD     7.35            #peak   174
 27 LEU  H      27 LEU  QD1     5.68            #peak   175
 26 LEU  H      26 LEU  QD2     5.59            #peak   182
 26 LEU  H      26 LEU  QD1     5.16            #peak   183
 27 LEU  H      27 LEU  QD2     6.15            #peak   184
 23 ALA  H      23 ALA  QB      3.42            #peak   202
 13 ALA  QB     14 ALA  H       3.91            #peak   206
 14 ALA  H      17 VAL  QG2     6.27            #peak   207
 14 ALA  H      17 VAL  QG1     6.52            #peak   208
  9 LEU  QQD    12 LEU  H       7.60            #peak   209
 11 LEU  QQD    15 PHE  H       7.60            #peak   210
  9 LEU  QQD    13 ALA  H       7.60            #peak   211
 17 VAL  H      17 VAL  QG1     4.63            #peak   212
  6 VAL  HA      9 LEU  QQD     6.79            #peak   222
  7 THR  HB     10 ALA  QB      4.70            #peak   224
  6 VAL  QG2     7 THR  HB      5.03            #peak   225
  7 THR  HB     11 LEU  QQD     7.60            #peak   226
 24 GLY  HA2    26 LEU  QD2     5.90            #peak   227
  8 TYR  HA     11 LEU  QQD     7.60            #peak   233
 22 ALA  HA     26 LEU  QD1     5.47            #peak   234
 23 ALA  QB     24 GLY  HA2     5.15            #peak   238
  9 LEU  HA     12 LEU  QQD     7.60            #peak   239
  8 TYR  HD1    12 LEU  QQD     7.47            #peak   242
 14 ALA  QB     15 PHE  HD1     5.15            #peak   252
  5 GLY  HA2     6 VAL  QG2     6.08            #peak   259

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H        ASP   1   2.707  -6.434   5.107
    2    HA   ASP   1           HA       ASP   1   0.731  -6.304   2.941
    3    HB2  ASP   1           1HB      ASP   1   2.213  -4.311   4.125
    4    HB3  ASP   1           2HB      ASP   1   3.141  -4.655   2.668
    5    H    ILE   2           H        ILE   2   1.836  -6.088   0.694
    6    HA   ILE   2           HA       ILE   2   2.881  -8.530  -0.040
    7    HB   ILE   2           HB       ILE   2   3.359  -5.899  -1.443
    8   HG12  ILE   2          1HG1      ILE   2   0.972  -6.344  -1.039
    9   HG13  ILE   2          2HG1      ILE   2   1.365  -6.458  -2.751
   10   HG21  ILE   2          1HG2      ILE   2   4.753  -7.245  -2.618
   11   HG22  ILE   2          2HG2      ILE   2   3.909  -8.718  -2.145
   12   HG23  ILE   2          3HG2      ILE   2   3.248  -7.693  -3.419
   13   HD11  ILE   2          3HD1      ILE   2   0.880  -8.719  -0.832
   14   HD12  ILE   2          1HD1      ILE   2  -0.113  -8.237  -2.207
   15   HD13  ILE   2          2HD1      ILE   2   1.486  -8.932  -2.475
   16    H    GLY   3           H        GLY   3   4.587  -5.611   0.956
   17    HA2  GLY   3           1HA      GLY   3   6.953  -7.182   1.521
   18    HA3  GLY   3           2HA      GLY   3   7.154  -6.005   0.232
   19    H    MET   4           H        MET   4   5.867  -6.190   3.552
   20    HA   MET   4           HA       MET   4   6.323  -3.417   4.053
   21    HB2  MET   4           1HB      MET   4   4.911  -5.486   5.296
   22    HB3  MET   4           2HB      MET   4   6.153  -5.030   6.454
   23    HG2  MET   4           1HG      MET   4   5.027  -2.650   5.417
   24    HG3  MET   4           2HG      MET   4   3.705  -3.728   5.860
   25    HE1  MET   4           3HE      MET   4   3.158  -3.624   9.186
   26    HE2  MET   4           1HE      MET   4   3.241  -4.693   7.785
   27    HE3  MET   4           2HE      MET   4   4.362  -4.913   9.130
   28    H    GLY   5           H        GLY   5   8.272  -6.237   4.193
   29    HA2  GLY   5           1HA      GLY   5  10.129  -5.341   6.170
   30    HA3  GLY   5           2HA      GLY   5  10.383  -6.648   5.022
   31    H    VAL   6           H        VAL   6   9.606  -4.450   2.932
   32    HA   VAL   6           HA       VAL   6  12.362  -3.672   2.440
   33    HB   VAL   6           HB       VAL   6  10.126  -2.826   0.653
   34   HG11  VAL   6          1HG1      VAL   6  12.127  -2.116  -0.216
   35   HG12  VAL   6          2HG1      VAL   6  13.019  -3.501   0.416
   36   HG13  VAL   6          3HG1      VAL   6  11.978  -3.691  -0.996
   37   HG21  VAL   6          3HG2      VAL   6  10.962  -5.635   1.194
   38   HG22  VAL   6          1HG2      VAL   6   9.366  -4.984   0.821
   39   HG23  VAL   6          2HG2      VAL   6  10.564  -5.168  -0.460
   40    H    THR   7           H        THR   7   9.310  -2.223   3.341
   41    HA   THR   7           HA       THR   7  10.214   0.484   2.965
   42    HB   THR   7           HB       THR   7   7.860   0.082   2.719
   43    HG1  THR   7           HG1      THR   7   7.125   1.472   4.615
   44   HG21  THR   7          3HG2      THR   7   7.941  -0.951   5.555
   45   HG22  THR   7          1HG2      THR   7   7.617  -1.895   4.101
   46   HG23  THR   7          2HG2      THR   7   6.470  -0.662   4.628
   47    H    TYR   8           H        TYR   8   9.875  -1.756   5.663
   48    HA   TYR   8           HA       TYR   8  10.486   0.158   7.686
   49    HB2  TYR   8           1HB      TYR   8   9.247  -1.995   8.062
   50    HB3  TYR   8           2HB      TYR   8  10.773  -2.847   7.849
   51    HD1  TYR   8           HD1      TYR   8  12.549  -2.655   9.527
   52    HD2  TYR   8           HD2      TYR   8   8.778  -0.764  10.080
   53    HE1  TYR   8           HE1      TYR   8  13.059  -2.350  11.914
   54    HE2  TYR   8           HE2      TYR   8   9.278  -0.452  12.468
   55    HH   TYR   8           HH       TYR   8  11.801  -2.037  14.039
   56    H    LEU   9           H        LEU   9  12.363  -1.462   5.384
   57    HA   LEU   9           HA       LEU   9  14.816  -1.060   6.959
   58    HB2  LEU   9           1HB      LEU   9  13.946  -3.107   5.080
   59    HB3  LEU   9           2HB      LEU   9  15.540  -2.461   4.698
   60    HG   LEU   9           HG       LEU   9  14.722  -3.717   7.317
   61   HD11  LEU   9          1HD1      LEU   9  16.803  -4.854   5.534
   62   HD12  LEU   9          2HD1      LEU   9  15.113  -5.089   5.088
   63   HD13  LEU   9          3HD1      LEU   9  15.700  -5.660   6.650
   64   HD21  LEU   9          3HD2      LEU   9  16.373  -2.238   7.944
   65   HD22  LEU   9          1HD2      LEU   9  17.198  -2.333   6.388
   66   HD23  LEU   9          2HD2      LEU   9  17.322  -3.668   7.534
   67    H    ALA  10           H        ALA  10  13.114  -0.188   4.059
   68    HA   ALA  10           HA       ALA  10  15.414   1.367   3.105
   69    HB1  ALA  10           1HB      ALA  10  14.303   1.513   0.993
   70    HB2  ALA  10           2HB      ALA  10  14.245  -0.168   1.525
   71    HB3  ALA  10           3HB      ALA  10  12.815   0.853   1.671
   72    H    LEU  11           H        LEU  11  11.883   1.788   3.444
   73    HA   LEU  11           HA       LEU  11  12.020   4.624   3.311
   74    HB2  LEU  11           1HB      LEU  11   9.905   2.639   4.029
   75    HB3  LEU  11           2HB      LEU  11   9.640   4.353   4.341
   76    HG   LEU  11           HG       LEU  11  10.203   3.132   1.639
   77   HD11  LEU  11          1HD1      LEU  11   7.733   3.628   3.150
   78   HD12  LEU  11          2HD1      LEU  11   8.052   2.513   1.822
   79   HD13  LEU  11          3HD1      LEU  11   7.730   4.214   1.486
   80   HD21  LEU  11          3HD2      LEU  11   9.380   5.446   0.918
   81   HD22  LEU  11          1HD2      LEU  11  11.020   5.322   1.553
   82   HD23  LEU  11          2HD2      LEU  11   9.724   5.944   2.575
   83    H    LEU  12           H        LEU  12  12.764   2.441   5.760
   84    HA   LEU  12           HA       LEU  12  12.265   4.416   7.875
   85    HB2  LEU  12           1HB      LEU  12  11.977   1.609   7.754
   86    HB3  LEU  12           2HB      LEU  12  13.291   1.946   8.878
   87    HG   LEU  12           HG       LEU  12  11.424   3.685   9.772
   88   HD11  LEU  12          1HD1      LEU  12   9.947   2.358   7.957
   89   HD12  LEU  12          2HD1      LEU  12   9.288   3.054   9.438
   90   HD13  LEU  12          3HD1      LEU  12   9.689   1.338   9.373
   91   HD21  LEU  12          3HD2      LEU  12  12.723   2.049  11.079
   92   HD22  LEU  12          1HD2      LEU  12  11.620   0.777  10.551
   93   HD23  LEU  12          2HD2      LEU  12  11.025   2.099  11.557
   94    H    ALA  13           H        ALA  13  14.778   2.458   6.375
   95    HA   ALA  13           HA       ALA  13  16.808   3.817   8.005
   96    HB1  ALA  13           1HB      ALA  13  17.718   1.707   6.191
   97    HB2  ALA  13           2HB      ALA  13  18.055   1.958   7.904
   98    HB3  ALA  13           3HB      ALA  13  16.557   1.171   7.406
   99    H    ALA  14           H        ALA  14  16.462   2.712   4.626
  100    HA   ALA  14           HA       ALA  14  18.458   4.282   3.518
  101    HB1  ALA  14           1HB      ALA  14  16.990   2.407   2.479
  102    HB2  ALA  14           2HB      ALA  14  15.950   3.743   1.986
  103    HB3  ALA  14           3HB      ALA  14  17.628   3.687   1.447
  104    H    PHE  15           H        PHE  15  15.344   5.201   4.667
  105    HA   PHE  15           HA       PHE  15  14.987   7.558   3.139
  106    HB2  PHE  15           1HB      PHE  15  13.337   6.217   4.708
  107    HB3  PHE  15           2HB      PHE  15  13.920   7.350   5.923
  108    HD1  PHE  15           HD1      PHE  15  12.270   7.118   2.620
  109    HD2  PHE  15           HD2      PHE  15  13.118   9.551   6.009
  110    HE1  PHE  15           HE1      PHE  15  10.674   8.803   1.805
  111    HE2  PHE  15           HE2      PHE  15  11.522  11.239   5.200
  112    HZ   PHE  15           HZ       PHE  15  10.297  10.867   3.096
  113    H    LYS  16           H        LYS  16  16.880   6.798   5.938
  114    HA   LYS  16           HA       LYS  16  17.250   9.489   6.832
  115    HB2  LYS  16           1HB      LYS  16  18.616   6.877   7.433
  116    HB3  LYS  16           2HB      LYS  16  19.231   8.395   8.074
  117    HG2  LYS  16           1HG      LYS  16  17.816   8.211   9.762
  118    HG3  LYS  16           2HG      LYS  16  16.476   8.365   8.624
  119    HD2  LYS  16           1HD      LYS  16  15.939   6.343   9.521
  120    HD3  LYS  16           2HD      LYS  16  17.023   5.788   8.243
  121    HE2  LYS  16           1HE      LYS  16  18.266   4.807   9.801
  122    HE3  LYS  16           2HE      LYS  16  18.663   6.405  10.430
  123    HZ1  LYS  16           3HZ      LYS  16  17.729   5.582  12.284
  124    HZ2  LYS  16           1HZ      LYS  16  16.824   4.413  11.461
  125    HZ3  LYS  16           2HZ      LYS  16  16.274   6.011  11.534
  126    H    VAL  17           H        VAL  17  17.743  10.338   4.640
  127    HA   VAL  17           HA       VAL  17  20.605  10.019   4.005
  128    HB   VAL  17           HB       VAL  17  19.365  11.171   1.773
  129   HG11  VAL  17          1HG1      VAL  17  21.274   9.449   2.081
  130   HG12  VAL  17          2HG1      VAL  17  19.986   8.249   1.953
  131   HG13  VAL  17          3HG1      VAL  17  20.279   9.375   0.627
  132   HG21  VAL  17          3HG2      VAL  17  17.622   9.568   1.183
  133   HG22  VAL  17          1HG2      VAL  17  17.794   8.791   2.757
  134   HG23  VAL  17          2HG2      VAL  17  17.198  10.447   2.651
  135    H    ARG  18           H        ARG  18  18.120  12.148   4.954
  136    HA   ARG  18           HA       ARG  18  19.122  14.585   3.933
  137    HB2  ARG  18           1HB      ARG  18  16.960  14.833   4.661
  138    HB3  ARG  18           2HB      ARG  18  17.195  13.791   6.057
  139    HG2  ARG  18           1HG      ARG  18  16.802  16.109   6.707
  140    HG3  ARG  18           2HG      ARG  18  18.405  15.557   7.201
  141    HD2  ARG  18           1HD      ARG  18  19.439  17.067   5.913
  142    HD3  ARG  18           2HD      ARG  18  18.368  16.760   4.546
  143    HE   ARG  18           HE       ARG  18  17.011  18.229   6.543
  144   HH11  ARG  18          1HH1      ARG  18  19.454  18.567   4.085
  145   HH12  ARG  18          2HH1      ARG  18  19.152  20.254   3.833
  146   HH21  ARG  18          1HH2      ARG  18  16.605  20.450   6.220
  147   HH22  ARG  18          2HH2      ARG  18  17.532  21.325   5.048
  148    HA   PRO  19           HA       PRO  19  21.246  15.110   8.244
  149    HB2  PRO  19           1HB      PRO  19  21.362  12.920   9.845
  150    HB3  PRO  19           2HB      PRO  19  20.022  14.072   9.888
  151    HG2  PRO  19           1HG      PRO  19  20.193  11.414   8.520
  152    HG3  PRO  19           2HG      PRO  19  18.855  12.107   9.455
  153    HD2  PRO  19           1HD      PRO  19  18.893  12.106   6.748
  154    HD3  PRO  19           2HD      PRO  19  18.125  13.399   7.691
  155    H    THR  20           H        THR  20  21.613  12.511   6.095
  156    HA   THR  20           HA       THR  20  24.087  11.443   6.908
  157    HB   THR  20           HB       THR  20  22.920  11.622   4.124
  158    HG1  THR  20           HG1      THR  20  21.861  10.393   5.998
  159   HG21  THR  20          3HG2      THR  20  24.424   9.511   3.886
  160   HG22  THR  20          1HG2      THR  20  25.315  10.210   5.237
  161   HG23  THR  20          2HG2      THR  20  25.149  11.111   3.730
  162    H    PHE  21           H        PHE  21  23.256  14.407   5.362
  163    HA   PHE  21           HA       PHE  21  25.790  14.904   4.141
  164    HB2  PHE  21           1HB      PHE  21  23.287  16.057   3.986
  165    HB3  PHE  21           2HB      PHE  21  24.227  17.275   4.841
  166    HD1  PHE  21           HD2      PHE  21  26.825  17.191   3.670
  167    HD2  PHE  21           HD1      PHE  21  23.038  16.681   1.795
  168    HE1  PHE  21           HE2      PHE  21  27.784  17.949   1.534
  169    HE2  PHE  21           HE1      PHE  21  23.990  17.438  -0.344
  170    HZ   PHE  21           HZ       PHE  21  26.366  18.074  -0.476
  171    H    ALA  22           H        ALA  22  24.211  16.124   7.088
  172    HA   ALA  22           HA       ALA  22  26.574  17.514   7.951
  173    HB1  ALA  22           1HB      ALA  22  24.547  18.504   8.611
  174    HB2  ALA  22           2HB      ALA  22  23.908  16.980   9.229
  175    HB3  ALA  22           3HB      ALA  22  25.217  17.798  10.082
  176    H    ALA  23           H        ALA  23  25.111  14.396   8.531
  177    HA   ALA  23           HA       ALA  23  26.518  13.703  10.874
  178    HB1  ALA  23           1HB      ALA  23  25.440  11.877   8.729
  179    HB2  ALA  23           2HB      ALA  23  25.879  11.412  10.373
  180    HB3  ALA  23           3HB      ALA  23  24.523  12.506  10.098
  181    H    GLY  24           H        GLY  24  27.294  13.389   7.447
  182    HA2  GLY  24           1HA      GLY  24  29.958  12.372   8.222
  183    HA3  GLY  24           2HA      GLY  24  29.164  11.977   6.705
  184    H    LEU  25           H        LEU  25  28.938  15.210   7.910
  185    HA   LEU  25           HA       LEU  25  30.041  16.332   5.575
  186    HB2  LEU  25           1HB      LEU  25  29.627  18.404   6.527
  187    HB3  LEU  25           2HB      LEU  25  28.422  17.359   7.277
  188    HG   LEU  25           HG       LEU  25  30.310  17.196   9.149
  189   HD11  LEU  25          1HD1      LEU  25  31.126  19.650   9.371
  190   HD12  LEU  25          2HD1      LEU  25  30.891  19.699   7.625
  191   HD13  LEU  25          3HD1      LEU  25  32.006  18.530   8.332
  192   HD21  LEU  25          3HD2      LEU  25  28.513  17.988  10.191
  193   HD22  LEU  25          1HD2      LEU  25  27.928  18.766   8.720
  194   HD23  LEU  25          2HD2      LEU  25  29.066  19.610   9.771
  195    H    LEU  26           H        LEU  26  31.522  15.013   8.326
  196    HA   LEU  26           HA       LEU  26  33.869  16.616   8.409
  197    HB2  LEU  26           1HB      LEU  26  33.442  13.782   9.342
  198    HB3  LEU  26           2HB      LEU  26  34.804  14.813   9.773
  199    HG   LEU  26           HG       LEU  26  33.513  15.006  11.652
  200   HD11  LEU  26          1HD1      LEU  26  33.787  17.229  10.309
  201   HD12  LEU  26          2HD1      LEU  26  32.777  17.179  11.754
  202   HD13  LEU  26          3HD1      LEU  26  32.033  17.119  10.156
  203   HD21  LEU  26          3HD2      LEU  26  31.369  14.378  11.818
  204   HD22  LEU  26          1HD2      LEU  26  31.564  13.812  10.159
  205   HD23  LEU  26          2HD2      LEU  26  30.864  15.401  10.472
  206    H    LEU  27           H        LEU  27  32.828  13.971   6.442
  207    HA   LEU  27           HA       LEU  27  35.450  13.219   5.541
  208    HB2  LEU  27           1HB      LEU  27  33.058  11.976   5.532
  209    HB3  LEU  27           2HB      LEU  27  33.104  12.571   3.874
  210    HG   LEU  27           HG       LEU  27  35.497  11.430   3.920
  211   HD11  LEU  27          1HD1      LEU  27  33.952  10.077   6.108
  212   HD12  LEU  27          2HD1      LEU  27  35.611  10.674   6.132
  213   HD13  LEU  27          3HD1      LEU  27  35.204   9.239   5.191
  214   HD21  LEU  27          3HD2      LEU  27  33.720   9.259   3.567
  215   HD22  LEU  27          1HD2      LEU  27  34.454  10.285   2.335
  216   HD23  LEU  27          2HD2      LEU  27  32.889  10.717   3.024
  217    H    ARG  28           H        ARG  28  36.484  13.781   3.670
  218    HA   ARG  28           HA       ARG  28  35.183  15.790   1.959
  219    HB2  ARG  28           1HB      ARG  28  36.911  16.694   3.657
  220    HB3  ARG  28           2HB      ARG  28  38.111  15.928   2.624
  221    HG2  ARG  28           1HG      ARG  28  37.947  17.510   1.050
  222    HG3  ARG  28           2HG      ARG  28  36.192  17.614   1.196
  223    HD2  ARG  28           1HD      ARG  28  36.291  19.176   2.889
  224    HD3  ARG  28           2HD      ARG  28  37.910  18.686   3.386
  225    HE   ARG  28           HE       ARG  28  37.900  19.815   0.770
  226   HH11  ARG  28          1HH1      ARG  28  37.823  20.609   4.159
  227   HH12  ARG  28          2HH1      ARG  28  38.534  22.174   3.942
  228   HH21  ARG  28          1HH2      ARG  28  38.837  21.873   0.471
  229   HH22  ARG  28          2HH2      ARG  28  39.110  22.892   1.843
  Start of MODEL    2
    1    H1   ASP   1           H        ASP   1   2.645  -6.546   5.226
    2    HA   ASP   1           HA       ASP   1   0.631  -6.561   3.092
    3    HB2  ASP   1           1HB      ASP   1   2.034  -4.471   4.205
    4    HB3  ASP   1           2HB      ASP   1   2.950  -4.804   2.738
    5    H    ILE   2           H        ILE   2   1.680  -6.355   0.823
    6    HA   ILE   2           HA       ILE   2   2.835  -8.757   0.128
    7    HB   ILE   2           HB       ILE   2   3.148  -6.136  -1.341
    8   HG12  ILE   2          1HG1      ILE   2   1.210  -7.995  -2.421
    9   HG13  ILE   2          2HG1      ILE   2   0.825  -7.594  -0.751
   10   HG21  ILE   2          1HG2      ILE   2   3.157  -7.913  -3.296
   11   HG22  ILE   2          2HG2      ILE   2   4.637  -7.462  -2.450
   12   HG23  ILE   2          3HG2      ILE   2   3.797  -8.953  -2.024
   13   HD11  ILE   2          3HD1      ILE   2   0.496  -6.028  -3.138
   14   HD12  ILE   2          1HD1      ILE   2  -0.145  -5.762  -1.518
   15   HD13  ILE   2          2HD1      ILE   2   1.459  -5.164  -1.941
   16    H    GLY   3           H        GLY   3   4.423  -5.712   0.958
   17    HA2  GLY   3           1HA      GLY   3   6.871  -7.162   1.535
   18    HA3  GLY   3           2HA      GLY   3   6.986  -5.998   0.223
   19    H    MET   4           H        MET   4   5.938  -6.260   3.612
   20    HA   MET   4           HA       MET   4   6.277  -3.424   4.031
   21    HB2  MET   4           1HB      MET   4   4.856  -5.488   5.304
   22    HB3  MET   4           2HB      MET   4   6.050  -4.942   6.474
   23    HG2  MET   4           1HG      MET   4   4.643  -2.778   5.101
   24    HG3  MET   4           2HG      MET   4   3.606  -3.819   6.075
   25    HE1  MET   4           3HE      MET   4   3.757  -2.949   9.311
   26    HE2  MET   4           1HE      MET   4   3.720  -4.332   8.218
   27    HE3  MET   4           2HE      MET   4   5.103  -4.089   9.285
   28    H    GLY   5           H        GLY   5   8.267  -6.172   4.119
   29    HA2  GLY   5           1HA      GLY   5  10.067  -5.293   6.176
   30    HA3  GLY   5           2HA      GLY   5  10.347  -6.596   5.030
   31    H    VAL   6           H        VAL   6   9.644  -4.509   2.867
   32    HA   VAL   6           HA       VAL   6  12.384  -3.686   2.439
   33    HB   VAL   6           HB       VAL   6  10.794  -4.570   0.635
   34   HG11  VAL   6          1HG1      VAL   6   9.179  -3.216  -0.291
   35   HG12  VAL   6          2HG1      VAL   6   9.036  -2.801   1.418
   36   HG13  VAL   6          3HG1      VAL   6   9.916  -1.736   0.321
   37   HG21  VAL   6          3HG2      VAL   6  12.052  -1.963  -0.136
   38   HG22  VAL   6          1HG2      VAL   6  13.044  -3.328   0.379
   39   HG23  VAL   6          2HG2      VAL   6  11.997  -3.481  -1.031
   40    H    THR   7           H        THR   7   9.336  -2.231   3.332
   41    HA   THR   7           HA       THR   7  10.243   0.475   2.962
   42    HB   THR   7           HB       THR   7   7.905   0.166   2.715
   43    HG1  THR   7           HG1      THR   7   7.984   1.213   5.333
   44   HG21  THR   7          3HG2      THR   7   6.511  -0.690   4.634
   45   HG22  THR   7          1HG2      THR   7   8.015  -1.205   5.398
   46   HG23  THR   7          2HG2      THR   7   7.531  -1.895   3.848
   47    H    TYR   8           H        TYR   8   9.886  -1.763   5.664
   48    HA   TYR   8           HA       TYR   8  10.508   0.143   7.686
   49    HB2  TYR   8           1HB      TYR   8   9.271  -2.018   8.050
   50    HB3  TYR   8           2HB      TYR   8  10.803  -2.860   7.850
   51    HD1  TYR   8           HD1      TYR   8  12.566  -2.654   9.543
   52    HD2  TYR   8           HD2      TYR   8   8.778  -0.786  10.062
   53    HE1  TYR   8           HE1      TYR   8  13.054  -2.342  11.933
   54    HE2  TYR   8           HE2      TYR   8   9.257  -0.467  12.453
   55    HH   TYR   8           HH       TYR   8  12.402  -1.267  13.821
   56    H    LEU   9           H        LEU   9  12.382  -1.471   5.379
   57    HA   LEU   9           HA       LEU   9  14.838  -1.077   6.953
   58    HB2  LEU   9           1HB      LEU   9  13.964  -3.112   5.061
   59    HB3  LEU   9           2HB      LEU   9  15.560  -2.466   4.685
   60    HG   LEU   9           HG       LEU   9  14.739  -3.737   7.296
   61   HD11  LEU   9          1HD1      LEU   9  16.851  -4.905   5.609
   62   HD12  LEU   9          2HD1      LEU   9  15.205  -5.044   4.991
   63   HD13  LEU   9          3HD1      LEU   9  15.606  -5.689   6.583
   64   HD21  LEU   9          3HD2      LEU   9  17.471  -3.659   7.219
   65   HD22  LEU   9          1HD2      LEU   9  16.443  -2.534   8.107
   66   HD23  LEU   9          2HD2      LEU   9  17.032  -2.109   6.499
   67    H    ALA  10           H        ALA  10  13.141  -0.201   4.047
   68    HA   ALA  10           HA       ALA  10  15.437   1.369   3.112
   69    HB1  ALA  10           1HB      ALA  10  14.334   1.518   0.993
   70    HB2  ALA  10           2HB      ALA  10  14.292  -0.166   1.518
   71    HB3  ALA  10           3HB      ALA  10  12.850   0.839   1.662
   72    H    LEU  11           H        LEU  11  11.903   1.766   3.439
   73    HA   LEU  11           HA       LEU  11  12.020   4.603   3.307
   74    HB2  LEU  11           1HB      LEU  11   9.919   2.604   4.024
   75    HB3  LEU  11           2HB      LEU  11   9.641   4.316   4.336
   76    HG   LEU  11           HG       LEU  11  10.215   3.100   1.634
   77   HD11  LEU  11          1HD1      LEU  11   8.067   2.429   1.935
   78   HD12  LEU  11          2HD1      LEU  11   7.757   4.078   1.393
   79   HD13  LEU  11          3HD1      LEU  11   7.717   3.694   3.113
   80   HD21  LEU  11          3HD2      LEU  11   9.572   5.912   2.504
   81   HD22  LEU  11          1HD2      LEU  11   9.496   5.355   0.832
   82   HD23  LEU  11          2HD2      LEU  11  11.034   5.343   1.696
   83    H    LEU  12           H        LEU  12  12.778   2.426   5.757
   84    HA   LEU  12           HA       LEU  12  12.264   4.399   7.872
   85    HB2  LEU  12           1HB      LEU  12  11.993   1.590   7.751
   86    HB3  LEU  12           2HB      LEU  12  13.305   1.935   8.876
   87    HG   LEU  12           HG       LEU  12  11.200   1.698  10.057
   88   HD11  LEU  12          1HD1      LEU  12  12.875   3.287  10.899
   89   HD12  LEU  12          2HD1      LEU  12  11.230   3.774  11.302
   90   HD13  LEU  12          3HD1      LEU  12  12.090   4.578   9.989
   91   HD21  LEU  12          3HD2      LEU  12   9.976   4.155   9.075
   92   HD22  LEU  12          1HD2      LEU  12   9.258   2.574   9.388
   93   HD23  LEU  12          2HD2      LEU  12  10.070   2.885   7.854
   94    H    ALA  13           H        ALA  13  14.791   2.453   6.377
   95    HA   ALA  13           HA       ALA  13  16.811   3.827   8.007
   96    HB1  ALA  13           1HB      ALA  13  16.611   1.204   7.544
   97    HB2  ALA  13           2HB      ALA  13  17.612   1.656   6.164
   98    HB3  ALA  13           3HB      ALA  13  18.156   2.015   7.802
   99    H    ALA  14           H        ALA  14  16.474   2.720   4.628
  100    HA   ALA  14           HA       ALA  14  18.461   4.302   3.522
  101    HB1  ALA  14           1HB      ALA  14  17.636   3.704   1.450
  102    HB2  ALA  14           2HB      ALA  14  17.004   2.419   2.480
  103    HB3  ALA  14           3HB      ALA  14  15.957   3.750   1.987
  104    H    PHE  15           H        PHE  15  15.340   5.202   4.667
  105    HA   PHE  15           HA       PHE  15  14.971   7.558   3.141
  106    HB2  PHE  15           1HB      PHE  15  13.327   6.207   4.709
  107    HB3  PHE  15           2HB      PHE  15  13.904   7.342   5.925
  108    HD1  PHE  15           HD2      PHE  15  13.674   9.823   5.445
  109    HD2  PHE  15           HD1      PHE  15  11.673   6.820   3.188
  110    HE1  PHE  15           HE2      PHE  15  12.070  11.504   4.636
  111    HE2  PHE  15           HE1      PHE  15  10.066   8.497   2.375
  112    HZ   PHE  15           HZ       PHE  15  10.263  10.842   3.100
  113    H    LYS  16           H        LYS  16  16.867   6.809   5.942
  114    HA   LYS  16           HA       LYS  16  17.221   9.501   6.836
  115    HB2  LYS  16           1HB      LYS  16  18.601   6.897   7.437
  116    HB3  LYS  16           2HB      LYS  16  19.207   8.418   8.079
  117    HG2  LYS  16           1HG      LYS  16  17.793   8.225   9.766
  118    HG3  LYS  16           2HG      LYS  16  16.452   8.372   8.627
  119    HD2  LYS  16           1HD      LYS  16  15.926   6.347   9.522
  120    HD3  LYS  16           2HD      LYS  16  17.015   5.798   8.246
  121    HE2  LYS  16           1HE      LYS  16  18.283   6.520  10.810
  122    HE3  LYS  16           2HE      LYS  16  17.253   5.090  10.836
  123    HZ1  LYS  16           3HZ      LYS  16  19.737   4.846  10.251
  124    HZ2  LYS  16           1HZ      LYS  16  19.278   5.407   8.722
  125    HZ3  LYS  16           2HZ      LYS  16  18.596   3.989   9.343
  126    H    VAL  17           H        VAL  17  17.711  10.354   4.645
  127    HA   VAL  17           HA       VAL  17  20.575  10.050   4.011
  128    HB   VAL  17           HB       VAL  17  19.330  11.198   1.780
  129   HG11  VAL  17          1HG1      VAL  17  19.964   8.279   1.955
  130   HG12  VAL  17          2HG1      VAL  17  20.256   9.410   0.632
  131   HG13  VAL  17          3HG1      VAL  17  21.247   9.482   2.091
  132   HG21  VAL  17          3HG2      VAL  17  17.595   9.585   1.187
  133   HG22  VAL  17          1HG2      VAL  17  17.771   8.808   2.760
  134   HG23  VAL  17          2HG2      VAL  17  17.166  10.462   2.656
  135    H    ARG  18           H        ARG  18  18.079  12.166   4.961
  136    HA   ARG  18           HA       ARG  18  19.771  14.507   4.381
  137    HB2  ARG  18           1HB      ARG  18  17.318  14.253   3.458
  138    HB3  ARG  18           2HB      ARG  18  16.876  14.766   5.081
  139    HG2  ARG  18           1HG      ARG  18  18.927  16.403   3.755
  140    HG3  ARG  18           2HG      ARG  18  17.319  16.449   3.028
  141    HD2  ARG  18           1HD      ARG  18  17.823  16.874   5.966
  142    HD3  ARG  18           2HD      ARG  18  17.776  18.190   4.794
  143    HE   ARG  18           HE       ARG  18  15.544  16.794   5.898
  144   HH11  ARG  18          1HH1      ARG  18  16.690  18.473   3.072
  145   HH12  ARG  18          2HH1      ARG  18  15.106  18.927   2.539
  146   HH21  ARG  18          1HH2      ARG  18  13.452  17.386   5.207
  147   HH22  ARG  18          2HH2      ARG  18  13.265  18.309   3.754
  148    HA   PRO  19           HA       PRO  19  19.789  13.878   8.983
  149    HB2  PRO  19           1HB      PRO  19  22.451  14.326   9.269
  150    HB3  PRO  19           2HB      PRO  19  21.780  12.734   8.894
  151    HG2  PRO  19           1HG      PRO  19  23.007  14.753   7.056
  152    HG3  PRO  19           2HG      PRO  19  23.233  12.995   7.097
  153    HD2  PRO  19           1HD      PRO  19  21.593  14.212   5.319
  154    HD3  PRO  19           2HD      PRO  19  21.268  12.590   5.963
  155    H    THR  20           H        THR  20  20.552  16.357   6.770
  156    HA   THR  20           HA       THR  20  21.560  18.408   8.308
  157    HB   THR  20           HB       THR  20  19.393  19.177   6.436
  158    HG1  THR  20           HG1      THR  20  21.698  17.701   5.651
  159   HG21  THR  20          3HG2      THR  20  22.002  20.139   5.775
  160   HG22  THR  20          1HG2      THR  20  21.755  20.299   7.513
  161   HG23  THR  20          2HG2      THR  20  20.615  21.038   6.389
  162    H    PHE  21           H        PHE  21  18.333  17.087   8.272
  163    HA   PHE  21           HA       PHE  21  16.991  19.208   9.553
  164    HB2  PHE  21           1HB      PHE  21  16.252  16.780   8.493
  165    HB3  PHE  21           2HB      PHE  21  16.010  16.525  10.219
  166    HD1  PHE  21           HD2      PHE  21  14.401  17.890  11.461
  167    HD2  PHE  21           HD1      PHE  21  14.863  18.268   7.247
  168    HE1  PHE  21           HE2      PHE  21  12.252  19.082  11.335
  169    HE2  PHE  21           HE1      PHE  21  12.716  19.461   7.114
  170    HZ   PHE  21           HZ       PHE  21  11.407  19.869   9.160
  171    H    ALA  22           H        ALA  22  18.379  16.207  10.877
  172    HA   ALA  22           HA       ALA  22  17.896  16.987  13.591
  173    HB1  ALA  22           1HB      ALA  22  19.288  14.985  14.130
  174    HB2  ALA  22           2HB      ALA  22  17.907  14.654  13.083
  175    HB3  ALA  22           3HB      ALA  22  19.529  14.755  12.398
  176    H    ALA  23           H        ALA  23  20.559  17.246  11.343
  177    HA   ALA  23           HA       ALA  23  22.651  17.749  13.131
  178    HB1  ALA  23           1HB      ALA  23  23.043  17.299  10.780
  179    HB2  ALA  23           2HB      ALA  23  22.253  18.814  10.338
  180    HB3  ALA  23           3HB      ALA  23  23.771  18.840  11.237
  181    H    GLY  24           H        GLY  24  20.421  20.013  11.526
  182    HA2  GLY  24           1HA      GLY  24  21.292  22.071  13.461
  183    HA3  GLY  24           2HA      GLY  24  20.762  22.435  11.826
  184    H    LEU  25           H        LEU  25  19.130  20.031  13.740
  185    HA   LEU  25           HA       LEU  25  16.589  21.037  13.366
  186    HB2  LEU  25           1HB      LEU  25  15.843  19.462  14.897
  187    HB3  LEU  25           2HB      LEU  25  17.347  18.771  14.292
  188    HG   LEU  25           HG       LEU  25  18.310  19.997  16.455
  189   HD11  LEU  25          1HD1      LEU  25  16.370  19.252  18.180
  190   HD12  LEU  25          2HD1      LEU  25  15.398  19.872  16.845
  191   HD13  LEU  25          3HD1      LEU  25  16.607  20.904  17.609
  192   HD21  LEU  25          3HD2      LEU  25  18.766  17.743  16.222
  193   HD22  LEU  25          1HD2      LEU  25  17.062  17.302  16.107
  194   HD23  LEU  25          2HD2      LEU  25  17.749  17.768  17.664
  195    H    LEU  26           H        LEU  26  18.979  21.930  15.742
  196    HA   LEU  26           HA       LEU  26  17.305  23.268  17.565
  197    HB2  LEU  26           1HB      LEU  26  20.188  23.200  16.953
  198    HB3  LEU  26           2HB      LEU  26  19.613  24.652  17.771
  199    HG   LEU  26           HG       LEU  26  18.730  23.257  19.593
  200   HD11  LEU  26          1HD1      LEU  26  19.376  21.131  17.711
  201   HD12  LEU  26          2HD1      LEU  26  18.273  21.134  19.086
  202   HD13  LEU  26          3HD1      LEU  26  19.993  20.834  19.337
  203   HD21  LEU  26          3HD2      LEU  26  20.910  24.165  19.907
  204   HD22  LEU  26          1HD2      LEU  26  21.640  22.918  18.896
  205   HD23  LEU  26          2HD2      LEU  26  20.952  22.491  20.463
  206    H    LEU  27           H        LEU  27  16.296  25.172  17.484
  207    HA   LEU  27           HA       LEU  27  17.201  27.222  15.612
  208    HB2  LEU  27           1HB      LEU  27  15.089  25.557  14.984
  209    HB3  LEU  27           2HB      LEU  27  14.301  26.992  15.637
  210    HG   LEU  27           HG       LEU  27  16.144  28.031  13.865
  211   HD11  LEU  27          1HD1      LEU  27  14.795  25.810  12.385
  212   HD12  LEU  27          2HD1      LEU  27  16.373  25.562  13.131
  213   HD13  LEU  27          3HD1      LEU  27  16.165  26.808  11.900
  214   HD21  LEU  27          3HD2      LEU  27  13.782  28.700  14.268
  215   HD22  LEU  27          1HD2      LEU  27  13.271  27.338  13.270
  216   HD23  LEU  27          2HD2      LEU  27  14.225  28.641  12.561
  217    H    ARG  28           H        ARG  28  15.818  29.274  15.931
  218    HA   ARG  28           HA       ARG  28  15.232  29.582  18.803
  219    HB2  ARG  28           1HB      ARG  28  16.989  31.111  17.018
  220    HB3  ARG  28           2HB      ARG  28  15.887  32.110  17.957
  221    HG2  ARG  28           1HG      ARG  28  17.121  30.081  19.599
  222    HG3  ARG  28           2HG      ARG  28  18.325  31.080  18.783
  223    HD2  ARG  28           1HD      ARG  28  17.665  32.994  19.855
  224    HD3  ARG  28           2HD      ARG  28  16.009  32.428  20.073
  225    HE   ARG  28           HE       ARG  28  18.157  32.140  21.907
  226   HH11  ARG  28          1HH1      ARG  28  15.318  30.530  20.696
  227   HH12  ARG  28          2HH1      ARG  28  15.052  29.625  22.149
  228   HH21  ARG  28          1HH2      ARG  28  17.818  30.954  23.825
  229   HH22  ARG  28          2HH2      ARG  28  16.474  29.867  23.929
  Start of MODEL    3
    1    H1   ASP   1           H        ASP   1   2.659  -6.585   5.201
    2    HA   ASP   1           HA       ASP   1   0.644  -6.599   3.067
    3    HB2  ASP   1           1HB      ASP   1   2.037  -4.509   4.189
    4    HB3  ASP   1           2HB      ASP   1   2.957  -4.830   2.721
    5    H    ILE   2           H        ILE   2   1.693  -6.374   0.798
    6    HA   ILE   2           HA       ILE   2   2.857  -8.768   0.089
    7    HB   ILE   2           HB       ILE   2   3.173  -6.141  -1.367
    8   HG12  ILE   2          1HG1      ILE   2   1.217  -7.982  -2.447
    9   HG13  ILE   2          2HG1      ILE   2   0.842  -7.583  -0.774
   10   HG21  ILE   2          1HG2      ILE   2   3.333  -7.671  -3.370
   11   HG22  ILE   2          2HG2      ILE   2   4.720  -7.675  -2.283
   12   HG23  ILE   2          3HG2      ILE   2   3.554  -8.996  -2.228
   13   HD11  ILE   2          3HD1      ILE   2   0.341  -6.066  -3.093
   14   HD12  ILE   2          1HD1      ILE   2   0.002  -5.646  -1.414
   15   HD13  ILE   2          2HD1      ILE   2   1.543  -5.192  -2.143
   16    H    GLY   3           H        GLY   3   4.433  -5.724   0.942
   17    HA2  GLY   3           1HA      GLY   3   6.886  -7.168   1.511
   18    HA3  GLY   3           2HA      GLY   3   6.999  -5.999   0.204
   19    H    MET   4           H        MET   4   5.950  -6.277   3.592
   20    HA   MET   4           HA       MET   4   6.280  -3.442   4.021
   21    HB2  MET   4           1HB      MET   4   4.863  -5.514   5.285
   22    HB3  MET   4           2HB      MET   4   6.055  -4.970   6.458
   23    HG2  MET   4           1HG      MET   4   5.159  -2.595   5.689
   24    HG3  MET   4           2HG      MET   4   3.726  -3.549   5.313
   25    HE1  MET   4           3HE      MET   4   2.130  -2.232   7.931
   26    HE2  MET   4           1HE      MET   4   2.090  -3.231   6.478
   27    HE3  MET   4           2HE      MET   4   1.853  -3.969   8.061
   28    H    GLY   5           H        GLY   5   8.278  -6.184   4.100
   29    HA2  GLY   5           1HA      GLY   5  10.073  -5.308   6.162
   30    HA3  GLY   5           2HA      GLY   5  10.358  -6.606   5.012
   31    H    VAL   6           H        VAL   6   9.651  -4.514   2.856
   32    HA   VAL   6           HA       VAL   6  12.390  -3.682   2.433
   33    HB   VAL   6           HB       VAL   6  10.804  -4.565   0.624
   34   HG11  VAL   6          1HG1      VAL   6   9.186  -3.212  -0.299
   35   HG12  VAL   6          2HG1      VAL   6   9.040  -2.803   1.412
   36   HG13  VAL   6          3HG1      VAL   6   9.918  -1.732   0.319
   37   HG21  VAL   6          3HG2      VAL   6  12.009  -3.471  -1.035
   38   HG22  VAL   6          1HG2      VAL   6  12.051  -1.952  -0.140
   39   HG23  VAL   6          2HG2      VAL   6  13.052  -3.308   0.378
   40    H    THR   7           H        THR   7   9.337  -2.239   3.328
   41    HA   THR   7           HA       THR   7  10.236   0.471   2.968
   42    HB   THR   7           HB       THR   7   7.899   0.157   2.718
   43    HG1  THR   7           HG1      THR   7   7.162   1.333   4.792
   44   HG21  THR   7          3HG2      THR   7   6.507  -0.710   4.634
   45   HG22  THR   7          1HG2      THR   7   8.011  -1.223   5.397
   46   HG23  THR   7          2HG2      THR   7   7.531  -1.910   3.845
   47    H    TYR   8           H        TYR   8   9.880  -1.775   5.664
   48    HA   TYR   8           HA       TYR   8  10.497   0.126   7.692
   49    HB2  TYR   8           1HB      TYR   8   9.267  -2.039   8.050
   50    HB3  TYR   8           2HB      TYR   8  10.801  -2.877   7.845
   51    HD1  TYR   8           HD1      TYR   8  12.566  -2.670   9.536
   52    HD2  TYR   8           HD2      TYR   8   8.772  -0.820  10.067
   53    HE1  TYR   8           HE1      TYR   8  13.056  -2.366  11.927
   54    HE2  TYR   8           HE2      TYR   8   9.252  -0.510  12.460
   55    HH   TYR   8           HH       TYR   8  12.395  -1.094  13.795
   56    H    LEU   9           H        LEU   9  12.378  -1.480   5.382
   57    HA   LEU   9           HA       LEU   9  14.831  -1.082   6.958
   58    HB2  LEU   9           1HB      LEU   9  13.965  -3.111   5.057
   59    HB3  LEU   9           2HB      LEU   9  15.558  -2.458   4.683
   60    HG   LEU   9           HG       LEU   9  14.742  -3.745   7.288
   61   HD11  LEU   9          1HD1      LEU   9  16.759  -4.803   5.348
   62   HD12  LEU   9          2HD1      LEU   9  15.045  -5.171   5.160
   63   HD13  LEU   9          3HD1      LEU   9  15.892  -5.647   6.631
   64   HD21  LEU   9          3HD2      LEU   9  16.384  -2.124   7.792
   65   HD22  LEU   9          1HD2      LEU   9  17.318  -2.511   6.347
   66   HD23  LEU   9          2HD2      LEU   9  17.240  -3.663   7.681
   67    H    ALA  10           H        ALA  10  13.134  -0.199   4.054
   68    HA   ALA  10           HA       ALA  10  15.426   1.383   3.128
   69    HB1  ALA  10           1HB      ALA  10  14.321   1.540   1.011
   70    HB2  ALA  10           2HB      ALA  10  14.288  -0.147   1.526
   71    HB3  ALA  10           3HB      ALA  10  12.840   0.850   1.676
   72    H    LEU  11           H        LEU  11  11.889   1.773   3.440
   73    HA   LEU  11           HA       LEU  11  11.995   4.608   3.323
   74    HB2  LEU  11           1HB      LEU  11   9.906   2.597   4.040
   75    HB3  LEU  11           2HB      LEU  11   9.622   4.305   4.365
   76    HG   LEU  11           HG       LEU  11  10.191   3.114   1.651
   77   HD11  LEU  11          1HD1      LEU  11   7.675   4.237   1.633
   78   HD12  LEU  11          2HD1      LEU  11   7.748   3.416   3.192
   79   HD13  LEU  11          3HD1      LEU  11   8.047   2.515   1.706
   80   HD21  LEU  11          3HD2      LEU  11  10.877   5.247   1.316
   81   HD22  LEU  11          1HD2      LEU  11   9.951   5.877   2.679
   82   HD23  LEU  11          2HD2      LEU  11   9.142   5.521   1.152
   83    H    LEU  12           H        LEU  12  12.758   2.425   5.771
   84    HA   LEU  12           HA       LEU  12  12.247   4.393   7.890
   85    HB2  LEU  12           1HB      LEU  12  11.993   1.583   7.764
   86    HB3  LEU  12           2HB      LEU  12  13.308   1.933   8.884
   87    HG   LEU  12           HG       LEU  12  11.257   1.697  10.113
   88   HD11  LEU  12          1HD1      LEU  12  12.976   3.653  10.508
   89   HD12  LEU  12          2HD1      LEU  12  11.492   3.531  11.453
   90   HD13  LEU  12          3HD1      LEU  12  11.583   4.652  10.095
   91   HD21  LEU  12          3HD2      LEU  12   9.262   2.450   9.446
   92   HD22  LEU  12          1HD2      LEU  12  10.034   2.731   7.885
   93   HD23  LEU  12          2HD2      LEU  12   9.896   4.048   9.050
   94    H    ALA  13           H        ALA  13  14.782   2.453   6.394
   95    HA   ALA  13           HA       ALA  13  16.798   3.842   8.015
   96    HB1  ALA  13           1HB      ALA  13  18.063   1.996   7.916
   97    HB2  ALA  13           2HB      ALA  13  16.576   1.192   7.411
   98    HB3  ALA  13           3HB      ALA  13  17.734   1.745   6.201
   99    H    ALA  14           H        ALA  14  16.483   2.720   4.638
  100    HA   ALA  14           HA       ALA  14  18.451   4.302   3.520
  101    HB1  ALA  14           1HB      ALA  14  15.923   3.771   2.014
  102    HB2  ALA  14           2HB      ALA  14  17.593   3.730   1.449
  103    HB3  ALA  14           3HB      ALA  14  16.979   2.437   2.480
  104    H    PHE  15           H        PHE  15  15.319   5.212   4.657
  105    HA   PHE  15           HA       PHE  15  14.935   7.565   3.159
  106    HB2  PHE  15           1HB      PHE  15  13.322   6.261   4.764
  107    HB3  PHE  15           2HB      PHE  15  13.981   7.338   5.990
  108    HD1  PHE  15           HD1      PHE  15  12.559   7.504   2.544
  109    HD2  PHE  15           HD2      PHE  15  12.876   9.307   6.387
  110    HE1  PHE  15           HE1      PHE  15  10.976   9.254   1.850
  111    HE2  PHE  15           HE2      PHE  15  11.293  11.060   5.699
  112    HZ   PHE  15           HZ       PHE  15  10.340  11.035   3.428
  113    H    LYS  16           H        LYS  16  16.856   6.853   5.975
  114    HA   LYS  16           HA       LYS  16  17.308   9.587   6.712
  115    HB2  LYS  16           1HB      LYS  16  18.603   6.985   7.510
  116    HB3  LYS  16           2HB      LYS  16  19.172   8.537   8.109
  117    HG2  LYS  16           1HG      LYS  16  17.694   8.357   9.746
  118    HG3  LYS  16           2HG      LYS  16  16.419   8.560   8.543
  119    HD2  LYS  16           1HD      LYS  16  15.740   6.558   9.349
  120    HD3  LYS  16           2HD      LYS  16  16.945   5.944   8.215
  121    HE2  LYS  16           1HE      LYS  16  17.830   4.899   9.981
  122    HE3  LYS  16           2HE      LYS  16  18.442   6.484  10.449
  123    HZ1  LYS  16           3HZ      LYS  16  17.317   5.543  12.304
  124    HZ2  LYS  16           1HZ      LYS  16  15.945   5.183  11.382
  125    HZ3  LYS  16           2HZ      LYS  16  16.343   6.793  11.712
  126    H    VAL  17           H        VAL  17  18.679   7.390   4.445
  127    HA   VAL  17           HA       VAL  17  21.226   8.688   4.212
  128    HB   VAL  17           HB       VAL  17  19.922   6.887   2.173
  129   HG11  VAL  17          1HG1      VAL  17  22.761   7.702   2.739
  130   HG12  VAL  17          2HG1      VAL  17  22.347   6.309   1.738
  131   HG13  VAL  17          3HG1      VAL  17  21.835   7.927   1.256
  132   HG21  VAL  17          3HG2      VAL  17  21.581   6.126   4.576
  133   HG22  VAL  17          1HG2      VAL  17  19.870   5.776   4.332
  134   HG23  VAL  17          2HG2      VAL  17  21.080   5.027   3.291
  135    H    ARG  18           H        ARG  18  18.125   9.501   3.231
  136    HA   ARG  18           HA       ARG  18  18.668  10.685   0.707
  137    HB2  ARG  18           1HB      ARG  18  16.406  10.288   2.372
  138    HB3  ARG  18           2HB      ARG  18  16.502  12.010   2.026
  139    HG2  ARG  18           1HG      ARG  18  16.970  10.568  -0.385
  140    HG3  ARG  18           2HG      ARG  18  15.507   9.947   0.383
  141    HD2  ARG  18           1HD      ARG  18  15.872  12.893   0.244
  142    HD3  ARG  18           2HD      ARG  18  15.462  12.039  -1.243
  143    HE   ARG  18           HE       ARG  18  13.668  11.124   0.609
  144   HH11  ARG  18          1HH1      ARG  18  14.575  14.246  -0.637
  145   HH12  ARG  18          2HH1      ARG  18  13.003  14.938  -0.410
  146   HH21  ARG  18          1HH2      ARG  18  11.594  12.024   0.912
  147   HH22  ARG  18          2HH2      ARG  18  11.308  13.674   0.472
  148    HA   PRO  19           HA       PRO  19  18.874  14.844   3.152
  149    HB2  PRO  19           1HB      PRO  19  18.947  14.700   5.862
  150    HB3  PRO  19           2HB      PRO  19  17.439  14.804   4.946
  151    HG2  PRO  19           1HG      PRO  19  18.775  12.400   6.129
  152    HG3  PRO  19           2HG      PRO  19  17.057  12.841   6.133
  153    HD2  PRO  19           1HD      PRO  19  18.090  11.023   4.413
  154    HD3  PRO  19           2HD      PRO  19  16.725  12.076   3.985
  155    H    THR  20           H        THR  20  20.628  12.014   3.958
  156    HA   THR  20           HA       THR  20  22.805  12.993   5.377
  157    HB   THR  20           HB       THR  20  22.772  10.808   3.286
  158    HG1  THR  20           HG1      THR  20  22.253  10.909   6.061
  159   HG21  THR  20          3HG2      THR  20  24.743  10.125   5.007
  160   HG22  THR  20          1HG2      THR  20  24.909  11.880   5.014
  161   HG23  THR  20          2HG2      THR  20  25.017  10.991   3.495
  162    H    PHE  21           H        PHE  21  21.955  13.417   2.047
  163    HA   PHE  21           HA       PHE  21  24.524  14.100   1.058
  164    HB2  PHE  21           1HB      PHE  21  22.038  13.684  -0.060
  165    HB3  PHE  21           2HB      PHE  21  22.273  15.416  -0.274
  166    HD1  PHE  21           HD2      PHE  21  24.722  16.041  -1.144
  167    HD2  PHE  21           HD1      PHE  21  22.763  12.309  -1.738
  168    HE1  PHE  21           HE2      PHE  21  26.152  15.606  -3.098
  169    HE2  PHE  21           HE1      PHE  21  24.191  11.867  -3.693
  170    HZ   PHE  21           HZ       PHE  21  25.887  13.517  -4.376
  171    H    ALA  22           H        ALA  22  21.763  16.095   2.092
  172    HA   ALA  22           HA       ALA  22  23.250  18.540   1.850
  173    HB1  ALA  22           1HB      ALA  22  20.615  18.095   3.244
  174    HB2  ALA  22           2HB      ALA  22  21.276  19.628   2.673
  175    HB3  ALA  22           3HB      ALA  22  20.791  18.390   1.514
  176    H    ALA  23           H        ALA  23  22.538  16.256   4.388
  177    HA   ALA  23           HA       ALA  23  23.097  17.852   6.626
  178    HB1  ALA  23           1HB      ALA  23  23.089  15.899   7.869
  179    HB2  ALA  23           2HB      ALA  23  22.101  15.466   6.473
  180    HB3  ALA  23           3HB      ALA  23  23.783  14.941   6.561
  181    H    GLY  24           H        GLY  24  25.221  15.798   4.650
  182    HA2  GLY  24           1HA      GLY  24  27.526  17.099   5.965
  183    HA3  GLY  24           2HA      GLY  24  27.553  15.442   5.381
  184    H    LEU  25           H        LEU  25  26.005  17.970   3.553
  185    HA   LEU  25           HA       LEU  25  27.326  17.421   1.179
  186    HB2  LEU  25           1HB      LEU  25  26.271  19.281   0.282
  187    HB3  LEU  25           2HB      LEU  25  25.211  18.801   1.605
  188    HG   LEU  25           HG       LEU  25  26.686  20.615   2.897
  189   HD11  LEU  25          1HD1      LEU  25  26.761  22.553   1.122
  190   HD12  LEU  25          2HD1      LEU  25  26.990  21.213  -0.001
  191   HD13  LEU  25          3HD1      LEU  25  28.123  21.451   1.329
  192   HD21  LEU  25          3HD2      LEU  25  24.108  20.485   1.720
  193   HD22  LEU  25          1HD2      LEU  25  24.747  22.108   1.457
  194   HD23  LEU  25          2HD2      LEU  25  24.644  21.456   3.092
  195    H    LEU  26           H        LEU  26  28.281  19.445   3.844
  196    HA   LEU  26           HA       LEU  26  30.230  21.007   2.559
  197    HB2  LEU  26           1HB      LEU  26  29.563  20.266   5.330
  198    HB3  LEU  26           2HB      LEU  26  31.235  20.753   5.057
  199    HG   LEU  26           HG       LEU  26  30.438  22.896   4.140
  200   HD11  LEU  26          1HD1      LEU  26  27.912  21.520   4.191
  201   HD12  LEU  26          2HD1      LEU  26  28.349  23.040   3.411
  202   HD13  LEU  26          3HD1      LEU  26  27.819  23.034   5.092
  203   HD21  LEU  26          3HD2      LEU  26  31.043  22.915   6.429
  204   HD22  LEU  26          1HD2      LEU  26  29.543  22.119   6.906
  205   HD23  LEU  26          2HD2      LEU  26  29.510  23.781   6.314
  206    H    LEU  27           H        LEU  27  30.226  17.703   3.580
  207    HA   LEU  27           HA       LEU  27  33.085  17.395   3.569
  208    HB2  LEU  27           1HB      LEU  27  31.008  15.962   4.613
  209    HB3  LEU  27           2HB      LEU  27  31.458  14.985   3.217
  210    HG   LEU  27           HG       LEU  27  32.583  14.144   5.163
  211   HD11  LEU  27          1HD1      LEU  27  34.964  15.386   4.143
  212   HD12  LEU  27          2HD1      LEU  27  33.870  14.975   2.823
  213   HD13  LEU  27          3HD1      LEU  27  34.394  13.727   3.954
  214   HD21  LEU  27          3HD2      LEU  27  32.606  15.932   6.677
  215   HD22  LEU  27          1HD2      LEU  27  33.422  17.003   5.537
  216   HD23  LEU  27          2HD2      LEU  27  34.304  15.667   6.278
  217    H    ARG  28           H        ARG  28  30.471  16.167   1.473
  218    HA   ARG  28           HA       ARG  28  32.236  15.205  -0.528
  219    HB2  ARG  28           1HB      ARG  28  29.421  15.208  -0.034
  220    HB3  ARG  28           2HB      ARG  28  29.699  15.776  -1.674
  221    HG2  ARG  28           1HG      ARG  28  30.995  13.280  -0.640
  222    HG3  ARG  28           2HG      ARG  28  29.364  13.273  -1.313
  223    HD2  ARG  28           1HD      ARG  28  31.545  14.574  -2.866
  224    HD3  ARG  28           2HD      ARG  28  31.478  12.813  -2.822
  225    HE   ARG  28           HE       ARG  28  29.681  14.585  -4.200
  226   HH11  ARG  28          1HH1      ARG  28  30.073  11.428  -2.787
  227   HH12  ARG  28          2HH1      ARG  28  28.839  10.696  -3.759
  228   HH21  ARG  28          1HH2      ARG  28  28.054  13.633  -5.486
  229   HH22  ARG  28          2HH2      ARG  28  27.692  11.951  -5.294
  Start of MODEL    4
    1    H1   ASP   1           H        ASP   1   2.944  -7.142   5.327
    2    HA   ASP   1           HA       ASP   1   0.730  -7.422   3.429
    3    HB2  ASP   1           1HB      ASP   1   1.843  -5.183   4.535
    4    HB3  ASP   1           2HB      ASP   1   2.680  -5.263   2.988
    5    H    ILE   2           H        ILE   2   1.662  -6.595   1.099
    6    HA   ILE   2           HA       ILE   2   2.887  -8.777  -0.053
    7    HB   ILE   2           HB       ILE   2   3.028  -5.923  -1.033
    8   HG12  ILE   2          1HG1      ILE   2   1.141  -7.404  -2.494
    9   HG13  ILE   2          2HG1      ILE   2   0.847  -7.807  -0.806
   10   HG21  ILE   2          1HG2      ILE   2   4.642  -7.303  -2.177
   11   HG22  ILE   2          2HG2      ILE   2   3.421  -8.539  -2.479
   12   HG23  ILE   2          3HG2      ILE   2   3.293  -6.964  -3.261
   13   HD11  ILE   2          3HD1      ILE   2   1.181  -4.949  -1.531
   14   HD12  ILE   2          1HD1      ILE   2  -0.325  -5.761  -1.961
   15   HD13  ILE   2          2HD1      ILE   2   0.191  -5.693  -0.275
   16    H    GLY   3           H        GLY   3   4.403  -5.766   1.067
   17    HA2  GLY   3           1HA      GLY   3   6.886  -7.166   1.540
   18    HA3  GLY   3           2HA      GLY   3   6.966  -6.001   0.227
   19    H    MET   4           H        MET   4   5.929  -6.255   3.623
   20    HA   MET   4           HA       MET   4   6.280  -3.420   4.033
   21    HB2  MET   4           1HB      MET   4   4.835  -5.454   5.302
   22    HB3  MET   4           2HB      MET   4   6.052  -4.962   6.472
   23    HG2  MET   4           1HG      MET   4   4.036  -3.699   6.810
   24    HG3  MET   4           2HG      MET   4   5.317  -2.634   6.234
   25    HE1  MET   4           3HE      MET   4   2.540  -0.768   4.638
   26    HE2  MET   4           1HE      MET   4   1.817  -1.869   5.812
   27    HE3  MET   4           2HE      MET   4   3.369  -1.106   6.158
   28    H    GLY   5           H        GLY   5   8.266  -6.169   4.122
   29    HA2  GLY   5           1HA      GLY   5  10.070  -5.293   6.175
   30    HA3  GLY   5           2HA      GLY   5  10.348  -6.594   5.028
   31    H    VAL   6           H        VAL   6   9.646  -4.512   2.864
   32    HA   VAL   6           HA       VAL   6  12.385  -3.687   2.435
   33    HB   VAL   6           HB       VAL   6  10.792  -4.571   0.633
   34   HG11  VAL   6          1HG1      VAL   6   9.037  -2.800   1.416
   35   HG12  VAL   6          2HG1      VAL   6   9.917  -1.735   0.318
   36   HG13  VAL   6          3HG1      VAL   6   9.177  -3.215  -0.292
   37   HG21  VAL   6          3HG2      VAL   6  11.996  -3.486  -1.034
   38   HG22  VAL   6          1HG2      VAL   6  12.052  -1.967  -0.140
   39   HG23  VAL   6          2HG2      VAL   6  13.045  -3.330   0.376
   40    H    THR   7           H        THR   7   9.337  -2.232   3.330
   41    HA   THR   7           HA       THR   7  10.244   0.474   2.960
   42    HB   THR   7           HB       THR   7   7.907   0.166   2.711
   43    HG1  THR   7           HG1      THR   7   7.108   1.456   4.560
   44   HG21  THR   7          3HG2      THR   7   7.533  -1.895   3.846
   45   HG22  THR   7          1HG2      THR   7   6.511  -0.691   4.628
   46   HG23  THR   7          2HG2      THR   7   8.014  -1.204   5.395
   47    H    TYR   8           H        TYR   8   9.884  -1.764   5.661
   48    HA   TYR   8           HA       TYR   8  10.506   0.142   7.685
   49    HB2  TYR   8           1HB      TYR   8   9.269  -2.020   8.047
   50    HB3  TYR   8           2HB      TYR   8  10.801  -2.862   7.848
   51    HD1  TYR   8           HD1      TYR   8  12.563  -2.656   9.542
   52    HD2  TYR   8           HD2      TYR   8   8.775  -0.788  10.059
   53    HE1  TYR   8           HE1      TYR   8  13.050  -2.344  11.932
   54    HE2  TYR   8           HE2      TYR   8   9.252  -0.470  12.451
   55    HH   TYR   8           HH       TYR   8  12.344  -0.878  13.779
   56    H    LEU   9           H        LEU   9  12.382  -1.471   5.378
   57    HA   LEU   9           HA       LEU   9  14.836  -1.077   6.953
   58    HB2  LEU   9           1HB      LEU   9  13.964  -3.112   5.061
   59    HB3  LEU   9           2HB      LEU   9  15.560  -2.466   4.685
   60    HG   LEU   9           HG       LEU   9  14.738  -3.737   7.296
   61   HD11  LEU   9          1HD1      LEU   9  15.932  -5.636   6.651
   62   HD12  LEU   9          2HD1      LEU   9  16.725  -4.800   5.317
   63   HD13  LEU   9          3HD1      LEU   9  15.010  -5.199   5.212
   64   HD21  LEU   9          3HD2      LEU   9  17.251  -3.669   7.665
   65   HD22  LEU   9          1HD2      LEU   9  16.385  -2.139   7.812
   66   HD23  LEU   9          2HD2      LEU   9  17.306  -2.494   6.350
   67    H    ALA  10           H        ALA  10  13.141  -0.202   4.046
   68    HA   ALA  10           HA       ALA  10  15.438   1.369   3.112
   69    HB1  ALA  10           1HB      ALA  10  14.336   1.517   0.993
   70    HB2  ALA  10           2HB      ALA  10  14.292  -0.167   1.518
   71    HB3  ALA  10           3HB      ALA  10  12.851   0.839   1.661
   72    H    LEU  11           H        LEU  11  11.903   1.766   3.439
   73    HA   LEU  11           HA       LEU  11  12.021   4.603   3.307
   74    HB2  LEU  11           1HB      LEU  11   9.919   2.603   4.023
   75    HB3  LEU  11           2HB      LEU  11   9.642   4.316   4.335
   76    HG   LEU  11           HG       LEU  11  10.216   3.100   1.633
   77   HD11  LEU  11          1HD1      LEU  11   7.709   3.742   3.094
   78   HD12  LEU  11          2HD1      LEU  11   8.066   2.420   1.984
   79   HD13  LEU  11          3HD1      LEU  11   7.769   4.042   1.357
   80   HD21  LEU  11          3HD2      LEU  11   9.678   5.909   2.554
   81   HD22  LEU  11          1HD2      LEU  11   9.406   5.393   0.889
   82   HD23  LEU  11          2HD2      LEU  11  11.024   5.306   1.585
   83    H    LEU  12           H        LEU  12  12.778   2.425   5.756
   84    HA   LEU  12           HA       LEU  12  12.263   4.398   7.871
   85    HB2  LEU  12           1HB      LEU  12  11.992   1.589   7.750
   86    HB3  LEU  12           2HB      LEU  12  13.305   1.933   8.875
   87    HG   LEU  12           HG       LEU  12  11.491   3.640   9.833
   88   HD11  LEU  12          1HD1      LEU  12   9.978   2.480   7.916
   89   HD12  LEU  12          2HD1      LEU  12   9.336   3.182   9.401
   90   HD13  LEU  12          3HD1      LEU  12   9.615   1.444   9.297
   91   HD21  LEU  12          3HD2      LEU  12  11.860   0.712  10.380
   92   HD22  LEU  12          1HD2      LEU  12  10.778   1.709  11.353
   93   HD23  LEU  12          2HD2      LEU  12  12.497   2.095  11.273
   94    H    ALA  13           H        ALA  13  14.791   2.453   6.377
   95    HA   ALA  13           HA       ALA  13  16.810   3.827   8.008
   96    HB1  ALA  13           1HB      ALA  13  16.587   1.187   7.459
   97    HB2  ALA  13           2HB      ALA  13  17.691   1.698   6.182
   98    HB3  ALA  13           3HB      ALA  13  18.102   1.991   7.872
   99    H    ALA  14           H        ALA  14  16.474   2.720   4.628
  100    HA   ALA  14           HA       ALA  14  18.462   4.302   3.523
  101    HB1  ALA  14           1HB      ALA  14  15.957   3.751   1.988
  102    HB2  ALA  14           2HB      ALA  14  17.637   3.703   1.451
  103    HB3  ALA  14           3HB      ALA  14  17.004   2.420   2.481
  104    H    PHE  15           H        PHE  15  15.341   5.202   4.668
  105    HA   PHE  15           HA       PHE  15  14.971   7.557   3.141
  106    HB2  PHE  15           1HB      PHE  15  13.327   6.206   4.708
  107    HB3  PHE  15           2HB      PHE  15  13.903   7.342   5.924
  108    HD1  PHE  15           HD1      PHE  15  12.457   7.235   2.498
  109    HD2  PHE  15           HD2      PHE  15  12.888   9.406   6.134
  110    HE1  PHE  15           HE1      PHE  15  10.852   8.912   1.683
  111    HE2  PHE  15           HE2      PHE  15  11.283  11.085   5.325
  112    HZ   PHE  15           HZ       PHE  15  10.262  10.840   3.097
  113    H    LYS  16           H        LYS  16  16.866   6.808   5.942
  114    HA   LYS  16           HA       LYS  16  17.219   9.501   6.837
  115    HB2  LYS  16           1HB      LYS  16  18.600   6.897   7.438
  116    HB3  LYS  16           2HB      LYS  16  19.206   8.418   8.080
  117    HG2  LYS  16           1HG      LYS  16  17.791   8.226   9.767
  118    HG3  LYS  16           2HG      LYS  16  16.451   8.372   8.627
  119    HD2  LYS  16           1HD      LYS  16  15.924   6.347   9.523
  120    HD3  LYS  16           2HD      LYS  16  17.013   5.799   8.246
  121    HE2  LYS  16           1HE      LYS  16  18.717   5.330   9.716
  122    HE3  LYS  16           2HE      LYS  16  18.153   6.500  10.909
  123    HZ1  LYS  16           3HZ      LYS  16  16.402   4.236  10.368
  124    HZ2  LYS  16           1HZ      LYS  16  16.739   5.021  11.828
  125    HZ3  LYS  16           2HZ      LYS  16  17.836   3.898  11.199
  126    H    VAL  17           H        VAL  17  17.709  10.354   4.646
  127    HA   VAL  17           HA       VAL  17  20.573  10.052   4.013
  128    HB   VAL  17           HB       VAL  17  19.328  11.199   1.781
  129   HG11  VAL  17          1HG1      VAL  17  19.964   8.280   1.957
  130   HG12  VAL  17          2HG1      VAL  17  20.256   9.411   0.634
  131   HG13  VAL  17          3HG1      VAL  17  21.246   9.483   2.093
  132   HG21  VAL  17          3HG2      VAL  17  17.594   9.586   1.188
  133   HG22  VAL  17          1HG2      VAL  17  17.770   8.808   2.761
  134   HG23  VAL  17          2HG2      VAL  17  17.165  10.462   2.657
  135    H    ARG  18           H        ARG  18  18.076  12.166   4.961
  136    HA   ARG  18           HA       ARG  18  19.110  14.606   3.950
  137    HB2  ARG  18           1HB      ARG  18  16.869  13.775   5.473
  138    HB3  ARG  18           2HB      ARG  18  17.695  15.015   6.408
  139    HG2  ARG  18           1HG      ARG  18  17.118  15.466   3.514
  140    HG3  ARG  18           2HG      ARG  18  15.849  15.686   4.720
  141    HD2  ARG  18           1HD      ARG  18  17.738  17.091   5.924
  142    HD3  ARG  18           2HD      ARG  18  18.348  17.237   4.277
  143    HE   ARG  18           HE       ARG  18  15.674  17.874   4.144
  144   HH11  ARG  18          1HH1      ARG  18  18.480  19.074   5.818
  145   HH12  ARG  18          2HH1      ARG  18  17.907  20.708   5.877
  146   HH21  ARG  18          1HH2      ARG  18  14.908  20.021   4.215
  147   HH22  ARG  18          2HH2      ARG  18  15.875  21.246   4.966
  148    HA   PRO  19           HA       PRO  19  21.036  15.168   8.343
  149    HB2  PRO  19           1HB      PRO  19  21.018  13.018  10.001
  150    HB3  PRO  19           2HB      PRO  19  19.704  14.199   9.945
  151    HG2  PRO  19           1HG      PRO  19  19.884  11.505   8.653
  152    HG3  PRO  19           2HG      PRO  19  18.516  12.250   9.499
  153    HD2  PRO  19           1HD      PRO  19  18.695  12.180   6.799
  154    HD3  PRO  19           2HD      PRO  19  17.909  13.513   7.669
  155    H    THR  20           H        THR  20  21.454  12.512   6.277
  156    HA   THR  20           HA       THR  20  23.870  11.428   7.253
  157    HB   THR  20           HB       THR  20  22.834  11.502   4.412
  158    HG1  THR  20           HG1      THR  20  22.277   9.255   5.061
  159   HG21  THR  20          3HG2      THR  20  24.296   9.463   4.170
  160   HG22  THR  20          1HG2      THR  20  25.035   9.901   5.710
  161   HG23  THR  20          2HG2      THR  20  25.161  10.992   4.329
  162    H    PHE  21           H        PHE  21  23.147  14.301   5.466
  163    HA   PHE  21           HA       PHE  21  25.766  14.706   4.396
  164    HB2  PHE  21           1HB      PHE  21  23.282  15.845   3.981
  165    HB3  PHE  21           2HB      PHE  21  24.175  17.125   4.795
  166    HD1  PHE  21           HD2      PHE  21  26.843  16.938   3.809
  167    HD2  PHE  21           HD1      PHE  21  23.184  16.290   1.734
  168    HE1  PHE  21           HE2      PHE  21  27.947  17.516   1.688
  169    HE2  PHE  21           HE1      PHE  21  24.282  16.867  -0.390
  170    HZ   PHE  21           HZ       PHE  21  26.667  17.482  -0.416
  171    H    ALA  22           H        ALA  22  23.984  16.113   7.135
  172    HA   ALA  22           HA       ALA  22  26.241  17.622   8.052
  173    HB1  ALA  22           1HB      ALA  22  24.738  17.868  10.130
  174    HB2  ALA  22           2HB      ALA  22  24.200  18.587   8.611
  175    HB3  ALA  22           3HB      ALA  22  23.513  17.056   9.154
  176    H    ALA  23           H        ALA  23  24.795  14.517   8.844
  177    HA   ALA  23           HA       ALA  23  26.143  13.995  11.240
  178    HB1  ALA  23           1HB      ALA  23  24.262  12.654  10.490
  179    HB2  ALA  23           2HB      ALA  23  25.213  12.047   9.134
  180    HB3  ALA  23           3HB      ALA  23  25.669  11.631  10.786
  181    H    GLY  24           H        GLY  24  27.071  13.339   7.879
  182    HA2  GLY  24           1HA      GLY  24  29.777  12.666   8.861
  183    HA3  GLY  24           2HA      GLY  24  29.066  11.974   7.410
  184    H    LEU  25           H        LEU  25  28.623  15.340   8.148
  185    HA   LEU  25           HA       LEU  25  29.501  16.261   5.685
  186    HB2  LEU  25           1HB      LEU  25  29.248  18.411   6.516
  187    HB3  LEU  25           2HB      LEU  25  28.149  17.454   7.507
  188    HG   LEU  25           HG       LEU  25  30.287  17.395   9.102
  189   HD11  LEU  25          1HD1      LEU  25  31.851  18.640   7.946
  190   HD12  LEU  25          2HD1      LEU  25  31.140  19.842   9.023
  191   HD13  LEU  25          3HD1      LEU  25  30.648  19.775   7.330
  192   HD21  LEU  25          3HD2      LEU  25  27.994  19.246   8.826
  193   HD22  LEU  25          1HD2      LEU  25  29.264  19.705   9.961
  194   HD23  LEU  25          2HD2      LEU  25  28.428  18.163  10.149
  195    H    LEU  26           H        LEU  26  31.312  15.522   8.563
  196    HA   LEU  26           HA       LEU  26  33.669  16.944   7.987
  197    HB2  LEU  26           1HB      LEU  26  32.890  14.713   9.752
  198    HB3  LEU  26           2HB      LEU  26  34.603  14.816   9.352
  199    HG   LEU  26           HG       LEU  26  34.663  17.101  10.255
  200   HD11  LEU  26          1HD1      LEU  26  32.736  18.213  10.331
  201   HD12  LEU  26          2HD1      LEU  26  32.392  17.306  11.804
  202   HD13  LEU  26          3HD1      LEU  26  31.782  16.731  10.252
  203   HD21  LEU  26          3HD2      LEU  26  33.574  14.987  12.109
  204   HD22  LEU  26          1HD2      LEU  26  34.342  16.485  12.634
  205   HD23  LEU  26          2HD2      LEU  26  35.268  15.292  11.722
  206    H    LEU  27           H        LEU  27  32.368  13.999   6.721
  207    HA   LEU  27           HA       LEU  27  34.783  12.889   5.724
  208    HB2  LEU  27           1HB      LEU  27  32.366  11.883   6.036
  209    HB3  LEU  27           2HB      LEU  27  32.178  12.408   4.365
  210    HG   LEU  27           HG       LEU  27  34.393  10.580   5.270
  211   HD11  LEU  27          1HD1      LEU  27  31.692   9.854   4.147
  212   HD12  LEU  27          2HD1      LEU  27  32.281   9.501   5.771
  213   HD13  LEU  27          3HD1      LEU  27  33.041   8.740   4.373
  214   HD21  LEU  27          3HD2      LEU  27  35.125  11.024   3.213
  215   HD22  LEU  27          1HD2      LEU  27  33.631  11.853   2.776
  216   HD23  LEU  27          2HD2      LEU  27  33.742  10.099   2.627
  217    H    ARG  28           H        ARG  28  32.369  15.082   4.383
  218    HA   ARG  28           HA       ARG  28  34.047  15.391   1.984
  219    HB2  ARG  28           1HB      ARG  28  31.213  15.121   2.336
  220    HB3  ARG  28           2HB      ARG  28  31.558  16.688   1.616
  221    HG2  ARG  28           1HG      ARG  28  33.107  15.229   0.050
  222    HG3  ARG  28           2HG      ARG  28  31.974  13.962   0.525
  223    HD2  ARG  28           1HD      ARG  28  30.148  15.084  -0.408
  224    HD3  ARG  28           2HD      ARG  28  31.008  16.622  -0.464
  225    HE   ARG  28           HE       ARG  28  32.330  14.763  -2.105
  226   HH11  ARG  28          1HH1      ARG  28  29.379  16.606  -1.962
  227   HH12  ARG  28          2HH1      ARG  28  29.196  16.690  -3.683
  228   HH21  ARG  28          1HH2      ARG  28  32.099  14.867  -4.372
  229   HH22  ARG  28          2HH2      ARG  28  30.743  15.700  -5.052
  Start of MODEL    5
    1    H1   ASP   1           H        ASP   1   2.671  -6.578   5.190
    2    HA   ASP   1           HA       ASP   1   0.647  -6.579   3.064
    3    HB2  ASP   1           1HB      ASP   1   2.041  -4.495   4.191
    4    HB3  ASP   1           2HB      ASP   1   2.965  -4.812   2.726
    5    H    ILE   2           H        ILE   2   1.683  -6.347   0.791
    6    HA   ILE   2           HA       ILE   2   2.841  -8.738   0.066
    7    HB   ILE   2           HB       ILE   2   3.226  -6.131  -1.407
    8   HG12  ILE   2          1HG1      ILE   2   1.123  -7.674  -2.519
    9   HG13  ILE   2          2HG1      ILE   2   0.825  -7.572  -0.787
   10   HG21  ILE   2          1HG2      ILE   2   4.624  -7.838  -2.315
   11   HG22  ILE   2          2HG2      ILE   2   3.309  -9.011  -2.282
   12   HG23  ILE   2          3HG2      ILE   2   3.245  -7.647  -3.398
   13   HD11  ILE   2          3HD1      ILE   2   0.525  -5.306  -0.835
   14   HD12  ILE   2          1HD1      ILE   2   1.516  -5.094  -2.279
   15   HD13  ILE   2          2HD1      ILE   2  -0.110  -5.764  -2.415
   16    H    GLY   3           H        GLY   3   4.411  -5.728   1.004
   17    HA2  GLY   3           1HA      GLY   3   6.866  -7.163   1.534
   18    HA3  GLY   3           2HA      GLY   3   6.982  -5.999   0.223
   19    H    MET   4           H        MET   4   5.937  -6.263   3.613
   20    HA   MET   4           HA       MET   4   6.276  -3.427   4.033
   21    HB2  MET   4           1HB      MET   4   4.852  -5.488   5.304
   22    HB3  MET   4           2HB      MET   4   6.051  -4.952   6.473
   23    HG2  MET   4           1HG      MET   4   5.103  -2.578   5.570
   24    HG3  MET   4           2HG      MET   4   3.667  -3.593   5.452
   25    HE1  MET   4           3HE      MET   4   6.524  -2.318   7.797
   26    HE2  MET   4           1HE      MET   4   5.263  -1.102   7.586
   27    HE3  MET   4           2HE      MET   4   5.530  -1.830   9.170
   28    H    GLY   5           H        GLY   5   8.266  -6.175   4.118
   29    HA2  GLY   5           1HA      GLY   5  10.067  -5.298   6.174
   30    HA3  GLY   5           2HA      GLY   5  10.347  -6.600   5.027
   31    H    VAL   6           H        VAL   6   9.641  -4.509   2.867
   32    HA   VAL   6           HA       VAL   6  12.381  -3.687   2.436
   33    HB   VAL   6           HB       VAL   6  10.789  -4.570   0.633
   34   HG11  VAL   6          1HG1      VAL   6   9.033  -2.802   1.418
   35   HG12  VAL   6          2HG1      VAL   6   9.912  -1.735   0.321
   36   HG13  VAL   6          3HG1      VAL   6   9.173  -3.216  -0.290
   37   HG21  VAL   6          3HG2      VAL   6  13.040  -3.336   0.371
   38   HG22  VAL   6          1HG2      VAL   6  11.984  -3.473  -1.035
   39   HG23  VAL   6          2HG2      VAL   6  12.054  -1.962  -0.129
   40    H    THR   7           H        THR   7   9.333  -2.233   3.333
   41    HA   THR   7           HA       THR   7  10.239   0.473   2.964
   42    HB   THR   7           HB       THR   7   7.902   0.165   2.719
   43    HG1  THR   7           HG1      THR   7   7.139   1.383   4.712
   44   HG21  THR   7          3HG2      THR   7   8.014  -1.209   5.400
   45   HG22  THR   7          1HG2      THR   7   7.531  -1.899   3.851
   46   HG23  THR   7          2HG2      THR   7   6.509  -0.695   4.637
   47    H    TYR   8           H        TYR   8   9.882  -1.765   5.666
   48    HA   TYR   8           HA       TYR   8  10.507   0.140   7.689
   49    HB2  TYR   8           1HB      TYR   8   9.271  -2.021   8.054
   50    HB3  TYR   8           2HB      TYR   8  10.802  -2.864   7.849
   51    HD1  TYR   8           HD1      TYR   8  12.572  -2.657   9.536
   52    HD2  TYR   8           HD2      TYR   8   8.783  -0.797  10.070
   53    HE1  TYR   8           HE1      TYR   8  13.067  -2.348  11.925
   54    HE2  TYR   8           HE2      TYR   8   9.268  -0.481  12.461
   55    HH   TYR   8           HH       TYR   8  12.305  -1.647  13.888
   56    H    LEU   9           H        LEU   9  12.380  -1.479   5.382
   57    HA   LEU   9           HA       LEU   9  14.836  -1.084   6.953
   58    HB2  LEU   9           1HB      LEU   9  13.962  -3.115   5.058
   59    HB3  LEU   9           2HB      LEU   9  15.557  -2.467   4.681
   60    HG   LEU   9           HG       LEU   9  14.738  -3.745   7.289
   61   HD11  LEU   9          1HD1      LEU   9  15.908  -5.647   6.638
   62   HD12  LEU   9          2HD1      LEU   9  16.739  -4.808   5.329
   63   HD13  LEU   9          3HD1      LEU   9  15.023  -5.189   5.182
   64   HD21  LEU   9          3HD2      LEU   9  17.366  -3.698   7.453
   65   HD22  LEU   9          1HD2      LEU   9  16.393  -2.320   7.968
   66   HD23  LEU   9          2HD2      LEU   9  17.181  -2.302   6.391
   67    H    ALA  10           H        ALA  10  13.138  -0.203   4.049
   68    HA   ALA  10           HA       ALA  10  15.433   1.371   3.116
   69    HB1  ALA  10           1HB      ALA  10  14.288  -0.163   1.521
   70    HB2  ALA  10           2HB      ALA  10  12.845   0.841   1.667
   71    HB3  ALA  10           3HB      ALA  10  14.328   1.522   0.998
   72    H    LEU  11           H        LEU  11  11.897   1.770   3.429
   73    HA   LEU  11           HA       LEU  11  12.009   4.603   3.304
   74    HB2  LEU  11           1HB      LEU  11   9.916   2.599   4.029
   75    HB3  LEU  11           2HB      LEU  11   9.636   4.309   4.350
   76    HG   LEU  11           HG       LEU  11  10.198   3.107   1.639
   77   HD11  LEU  11          1HD1      LEU  11   7.718   3.629   3.151
   78   HD12  LEU  11          2HD1      LEU  11   8.056   2.442   1.891
   79   HD13  LEU  11          3HD1      LEU  11   7.725   4.119   1.456
   80   HD21  LEU  11          3HD2      LEU  11  10.396   5.776   2.607
   81   HD22  LEU  11          1HD2      LEU  11   9.015   5.675   1.514
   82   HD23  LEU  11          2HD2      LEU  11  10.615   5.177   0.962
   83    H    LEU  12           H        LEU  12  12.773   2.427   5.757
   84    HA   LEU  12           HA       LEU  12  12.268   4.403   7.870
   85    HB2  LEU  12           1HB      LEU  12  12.008   1.592   7.753
   86    HB3  LEU  12           2HB      LEU  12  13.322   1.945   8.873
   87    HG   LEU  12           HG       LEU  12  11.589   3.600   9.924
   88   HD11  LEU  12          1HD1      LEU  12   9.361   3.229   9.554
   89   HD12  LEU  12          2HD1      LEU  12   9.614   1.580   8.984
   90   HD13  LEU  12          3HD1      LEU  12  10.005   2.944   7.937
   91   HD21  LEU  12          3HD2      LEU  12  10.674   1.625  11.265
   92   HD22  LEU  12          1HD2      LEU  12  12.423   1.851  11.238
   93   HD23  LEU  12          2HD2      LEU  12  11.678   0.614  10.225
   94    H    ALA  13           H        ALA  13  14.796   2.440   6.390
   95    HA   ALA  13           HA       ALA  13  16.818   3.829   8.002
   96    HB1  ALA  13           1HB      ALA  13  18.163   2.020   7.800
   97    HB2  ALA  13           2HB      ALA  13  16.621   1.204   7.535
   98    HB3  ALA  13           3HB      ALA  13  17.624   1.663   6.159
   99    H    ALA  14           H        ALA  14  16.487   2.711   4.626
  100    HA   ALA  14           HA       ALA  14  18.462   4.289   3.507
  101    HB1  ALA  14           1HB      ALA  14  17.611   3.709   1.437
  102    HB2  ALA  14           2HB      ALA  14  16.993   2.419   2.470
  103    HB3  ALA  14           3HB      ALA  14  15.938   3.751   1.997
  104    H    PHE  15           H        PHE  15  15.338   5.201   4.652
  105    HA   PHE  15           HA       PHE  15  14.971   7.560   3.142
  106    HB2  PHE  15           1HB      PHE  15  13.332   6.234   4.716
  107    HB3  PHE  15           2HB      PHE  15  13.951   7.330   5.946
  108    HD1  PHE  15           HD1      PHE  15  12.109   7.118   2.769
  109    HD2  PHE  15           HD2      PHE  15  13.316   9.619   5.994
  110    HE1  PHE  15           HE1      PHE  15  10.523   8.843   2.019
  111    HE2  PHE  15           HE2      PHE  15  11.731  11.348   5.251
  112    HZ   PHE  15           HZ       PHE  15  10.332  10.961   3.261
  113    H    LYS  16           H        LYS  16  16.813   6.828   6.010
  114    HA   LYS  16           HA       LYS  16  17.222   9.507   6.866
  115    HB2  LYS  16           1HB      LYS  16  18.618   6.902   7.431
  116    HB3  LYS  16           2HB      LYS  16  19.230   8.422   8.072
  117    HG2  LYS  16           1HG      LYS  16  17.849   8.197   9.784
  118    HG3  LYS  16           2HG      LYS  16  16.492   8.380   8.671
  119    HD2  LYS  16           1HD      LYS  16  15.949   6.344   9.516
  120    HD3  LYS  16           2HD      LYS  16  17.039   5.802   8.238
  121    HE2  LYS  16           1HE      LYS  16  17.824   6.295  11.109
  122    HE3  LYS  16           2HE      LYS  16  17.495   4.714  10.402
  123    HZ1  LYS  16           3HZ      LYS  16  19.318   5.207   8.790
  124    HZ2  LYS  16           1HZ      LYS  16  19.827   5.024  10.393
  125    HZ3  LYS  16           2HZ      LYS  16  19.704   6.569   9.717
  126    H    VAL  17           H        VAL  17  18.369   7.798   4.210
  127    HA   VAL  17           HA       VAL  17  20.986   8.927   4.015
  128    HB   VAL  17           HB       VAL  17  19.716   6.884   2.729
  129   HG11  VAL  17          1HG1      VAL  17  18.504   8.596   1.346
  130   HG12  VAL  17          2HG1      VAL  17  20.065   9.029   0.644
  131   HG13  VAL  17          3HG1      VAL  17  19.420   7.401   0.427
  132   HG21  VAL  17          3HG2      VAL  17  21.858   7.556   1.063
  133   HG22  VAL  17          1HG2      VAL  17  22.273   8.205   2.649
  134   HG23  VAL  17          2HG2      VAL  17  21.891   6.492   2.470
  135    H    ARG  18           H        ARG  18  17.801   9.991   3.194
  136    HA   ARG  18           HA       ARG  18  18.489  11.898   1.215
  137    HB2  ARG  18           1HB      ARG  18  16.127  10.978   2.463
  138    HB3  ARG  18           2HB      ARG  18  16.182  12.717   2.720
  139    HG2  ARG  18           1HG      ARG  18  16.624  11.533   0.004
  140    HG3  ARG  18           2HG      ARG  18  15.001  11.834   0.629
  141    HD2  ARG  18           1HD      ARG  18  16.381  14.181   1.154
  142    HD3  ARG  18           2HD      ARG  18  16.956  13.690  -0.439
  143    HE   ARG  18           HE       ARG  18  14.228  13.440  -0.551
  144   HH11  ARG  18          1HH1      ARG  18  16.476  16.006   0.141
  145   HH12  ARG  18          2HH1      ARG  18  15.437  17.255  -0.459
  146   HH21  ARG  18          1HH2      ARG  18  12.850  15.075  -1.344
  147   HH22  ARG  18          2HH2      ARG  18  13.374  16.725  -1.302
  148    HA   PRO  19           HA       PRO  19  18.371  15.120   4.813
  149    HB2  PRO  19           1HB      PRO  19  18.293  14.154   7.349
  150    HB3  PRO  19           2HB      PRO  19  16.838  14.502   6.409
  151    HG2  PRO  19           1HG      PRO  19  18.200  11.880   6.891
  152    HG3  PRO  19           2HG      PRO  19  16.468  12.262   6.914
  153    HD2  PRO  19           1HD      PRO  19  17.671  11.082   4.795
  154    HD3  PRO  19           2HD      PRO  19  16.292  12.185   4.617
  155    H    THR  20           H        THR  20  20.228  12.286   4.687
  156    HA   THR  20           HA       THR  20  22.252  12.647   6.522
  157    HB   THR  20           HB       THR  20  22.382  11.564   3.708
  158    HG1  THR  20           HG1      THR  20  22.299  10.374   6.297
  159   HG21  THR  20          3HG2      THR  20  24.541  10.481   4.632
  160   HG22  THR  20          1HG2      THR  20  24.528  11.810   5.789
  161   HG23  THR  20          2HG2      THR  20  24.612  12.147   4.060
  162    H    PHE  21           H        PHE  21  21.636  14.402   3.574
  163    HA   PHE  21           HA       PHE  21  24.171  15.587   3.246
  164    HB2  PHE  21           1HB      PHE  21  21.806  15.609   1.844
  165    HB3  PHE  21           2HB      PHE  21  21.897  17.259   2.450
  166    HD1  PHE  21           HD2      PHE  21  24.381  14.815   1.107
  167    HD2  PHE  21           HD1      PHE  21  22.687  18.713   0.874
  168    HE1  PHE  21           HE2      PHE  21  25.953  15.386  -0.698
  169    HE2  PHE  21           HE1      PHE  21  24.256  19.290  -0.932
  170    HZ   PHE  21           HZ       PHE  21  25.892  17.627  -1.719
  171    H    ALA  22           H        ALA  22  21.213  16.831   4.792
  172    HA   ALA  22           HA       ALA  22  22.520  19.183   5.776
  173    HB1  ALA  22           1HB      ALA  22  20.088  19.042   5.230
  174    HB2  ALA  22           2HB      ALA  22  19.878  18.044   6.670
  175    HB3  ALA  22           3HB      ALA  22  20.440  19.709   6.824
  176    H    ALA  23           H        ALA  23  21.830  15.990   7.021
  177    HA   ALA  23           HA       ALA  23  22.206  16.470   9.757
  178    HB1  ALA  23           1HB      ALA  23  23.016  13.910   8.418
  179    HB2  ALA  23           2HB      ALA  23  22.329  14.151  10.025
  180    HB3  ALA  23           3HB      ALA  23  21.322  14.368   8.593
  181    H    GLY  24           H        GLY  24  24.525  15.577   7.219
  182    HA2  GLY  24           1HA      GLY  24  26.694  16.232   9.118
  183    HA3  GLY  24           2HA      GLY  24  26.841  15.007   7.867
  184    H    LEU  25           H        LEU  25  25.228  18.028   7.242
  185    HA   LEU  25           HA       LEU  25  26.684  18.630   4.960
  186    HB2  LEU  25           1HB      LEU  25  25.553  20.653   4.898
  187    HB3  LEU  25           2HB      LEU  25  24.469  19.601   5.806
  188    HG   LEU  25           HG       LEU  25  25.781  20.720   7.851
  189   HD11  LEU  25          1HD1      LEU  25  26.063  22.601   5.546
  190   HD12  LEU  25          2HD1      LEU  25  27.227  22.186   6.804
  191   HD13  LEU  25          3HD1      LEU  25  25.851  23.222   7.183
  192   HD21  LEU  25          3HD2      LEU  25  23.802  22.609   7.118
  193   HD22  LEU  25          1HD2      LEU  25  23.676  21.277   8.266
  194   HD23  LEU  25          2HD2      LEU  25  23.260  21.022   6.571
  195    H    LEU  26           H        LEU  26  27.398  19.290   8.299
  196    HA   LEU  26           HA       LEU  26  29.306  21.330   7.951
  197    HB2  LEU  26           1HB      LEU  26  28.550  19.441  10.084
  198    HB3  LEU  26           2HB      LEU  26  30.193  20.074  10.168
  199    HG   LEU  26           HG       LEU  26  29.277  22.367  10.182
  200   HD11  LEU  26          1HD1      LEU  26  26.986  22.827  10.298
  201   HD12  LEU  26          2HD1      LEU  26  26.570  21.140  10.598
  202   HD13  LEU  26          3HD1      LEU  26  27.134  21.639   9.003
  203   HD21  LEU  26          3HD2      LEU  26  29.641  21.924  12.350
  204   HD22  LEU  26          1HD2      LEU  26  28.854  20.348  12.263
  205   HD23  LEU  26          2HD2      LEU  26  27.884  21.808  12.455
  206    H    LEU  27           H        LEU  27  29.445  17.909   7.462
  207    HA   LEU  27           HA       LEU  27  32.255  17.581   7.637
  208    HB2  LEU  27           1HB      LEU  27  30.750  15.692   7.785
  209    HB3  LEU  27           2HB      LEU  27  30.169  15.993   6.148
  210    HG   LEU  27           HG       LEU  27  32.575  15.538   5.405
  211   HD11  LEU  27          1HD1      LEU  27  34.090  15.203   6.989
  212   HD12  LEU  27          2HD1      LEU  27  33.244  13.722   7.434
  213   HD13  LEU  27          3HD1      LEU  27  32.851  15.239   8.243
  214   HD21  LEU  27          3HD2      LEU  27  31.178  13.875   4.734
  215   HD22  LEU  27          1HD2      LEU  27  30.546  13.597   6.357
  216   HD23  LEU  27          2HD2      LEU  27  32.131  12.966   5.908
  217    H    ARG  28           H        ARG  28  33.596  18.752   6.418
  218    HA   ARG  28           HA       ARG  28  32.932  19.157   3.582
  219    HB2  ARG  28           1HB      ARG  28  34.329  20.782   5.613
  220    HB3  ARG  28           2HB      ARG  28  35.056  20.792   4.012
  221    HG2  ARG  28           1HG      ARG  28  32.580  21.260   3.255
  222    HG3  ARG  28           2HG      ARG  28  32.429  21.847   4.912
  223    HD2  ARG  28           1HD      ARG  28  33.049  23.751   3.738
  224    HD3  ARG  28           2HD      ARG  28  34.579  23.175   4.398
  225    HE   ARG  28           HE       ARG  28  35.316  22.843   2.265
  226   HH11  ARG  28          1HH1      ARG  28  31.840  23.027   2.231
  227   HH12  ARG  28          2HH1      ARG  28  31.725  22.989   0.502
  228   HH21  ARG  28          1HH2      ARG  28  35.178  22.792  -0.011
  229   HH22  ARG  28          2HH2      ARG  28  33.624  22.855  -0.772
  Start of MODEL    6
    1    H1   ASP   1           H        ASP   1   2.665  -6.558   5.187
    2    HA   ASP   1           HA       ASP   1   0.651  -6.565   3.054
    3    HB2  ASP   1           1HB      ASP   1   2.046  -4.482   4.181
    4    HB3  ASP   1           2HB      ASP   1   2.974  -4.805   2.718
    5    H    ILE   2           H        ILE   2   1.689  -6.345   0.784
    6    HA   ILE   2           HA       ILE   2   2.847  -8.740   0.069
    7    HB   ILE   2           HB       ILE   2   1.797  -7.275  -1.567
    8   HG12  ILE   2          1HG1      ILE   2   4.696  -7.622  -2.337
    9   HG13  ILE   2          2HG1      ILE   2   3.572  -8.971  -2.219
   10   HG21  ILE   2          1HG2      ILE   2   4.233  -5.521  -1.511
   11   HG22  ILE   2          2HG2      ILE   2   2.675  -5.222  -2.279
   12   HG23  ILE   2          3HG2      ILE   2   2.813  -5.179  -0.522
   13   HD11  ILE   2          3HD1      ILE   2   3.129  -8.595  -4.358
   14   HD12  ILE   2          1HD1      ILE   2   2.242  -7.170  -3.819
   15   HD13  ILE   2          2HD1      ILE   2   3.924  -7.022  -4.329
   16    H    GLY   3           H        GLY   3   4.415  -5.729   1.004
   17    HA2  GLY   3           1HA      GLY   3   6.871  -7.162   1.535
   18    HA3  GLY   3           2HA      GLY   3   6.986  -5.999   0.223
   19    H    MET   4           H        MET   4   5.938  -6.260   3.613
   20    HA   MET   4           HA       MET   4   6.277  -3.424   4.030
   21    HB2  MET   4           1HB      MET   4   4.856  -5.488   5.304
   22    HB3  MET   4           2HB      MET   4   6.050  -4.942   6.474
   23    HG2  MET   4           1HG      MET   4   5.236  -2.700   6.362
   24    HG3  MET   4           2HG      MET   4   4.171  -3.102   5.017
   25    HE1  MET   4           3HE      MET   4   4.016  -2.943   9.160
   26    HE2  MET   4           1HE      MET   4   4.057  -1.758   7.854
   27    HE3  MET   4           2HE      MET   4   2.518  -2.209   8.587
   28    H    GLY   5           H        GLY   5   8.267  -6.171   4.119
   29    HA2  GLY   5           1HA      GLY   5  10.066  -5.293   6.176
   30    HA3  GLY   5           2HA      GLY   5  10.347  -6.596   5.030
   31    H    VAL   6           H        VAL   6   9.644  -4.509   2.867
   32    HA   VAL   6           HA       VAL   6  12.384  -3.686   2.439
   33    HB   VAL   6           HB       VAL   6  10.794  -4.570   0.635
   34   HG11  VAL   6          1HG1      VAL   6   9.916  -1.735   0.323
   35   HG12  VAL   6          2HG1      VAL   6   9.177  -3.216  -0.290
   36   HG13  VAL   6          3HG1      VAL   6   9.036  -2.801   1.419
   37   HG21  VAL   6          3HG2      VAL   6  12.052  -1.963  -0.136
   38   HG22  VAL   6          1HG2      VAL   6  13.044  -3.327   0.379
   39   HG23  VAL   6          2HG2      VAL   6  11.996  -3.482  -1.031
   40    H    THR   7           H        THR   7   9.336  -2.231   3.332
   41    HA   THR   7           HA       THR   7  10.243   0.475   2.962
   42    HB   THR   7           HB       THR   7   7.905   0.167   2.715
   43    HG1  THR   7           HG1      THR   7   7.159   1.665   4.184
   44   HG21  THR   7          3HG2      THR   7   8.016  -1.205   5.396
   45   HG22  THR   7          1HG2      THR   7   7.530  -1.895   3.848
   46   HG23  THR   7          2HG2      THR   7   6.511  -0.690   4.635
   47    H    TYR   8           H        TYR   8   9.886  -1.763   5.664
   48    HA   TYR   8           HA       TYR   8  10.509   0.143   7.686
   49    HB2  TYR   8           1HB      TYR   8   9.271  -2.018   8.050
   50    HB3  TYR   8           2HB      TYR   8  10.803  -2.861   7.850
   51    HD1  TYR   8           HD1      TYR   8  12.566  -2.655   9.543
   52    HD2  TYR   8           HD2      TYR   8   8.778  -0.786  10.062
   53    HE1  TYR   8           HE1      TYR   8  13.054  -2.342  11.933
   54    HE2  TYR   8           HE2      TYR   8   9.257  -0.467  12.453
   55    HH   TYR   8           HH       TYR   8  12.300  -0.765  13.775
   56    H    LEU   9           H        LEU   9  12.382  -1.471   5.379
   57    HA   LEU   9           HA       LEU   9  14.838  -1.077   6.953
   58    HB2  LEU   9           1HB      LEU   9  13.964  -3.112   5.061
   59    HB3  LEU   9           2HB      LEU   9  15.560  -2.466   4.685
   60    HG   LEU   9           HG       LEU   9  14.739  -3.737   7.296
   61   HD11  LEU   9          1HD1      LEU   9  16.572  -5.380   6.463
   62   HD12  LEU   9          2HD1      LEU   9  16.169  -4.736   4.872
   63   HD13  LEU   9          3HD1      LEU   9  14.926  -5.520   5.846
   64   HD21  LEU   9          3HD2      LEU   9  17.345  -2.565   6.347
   65   HD22  LEU   9          1HD2      LEU   9  17.209  -3.650   7.730
   66   HD23  LEU   9          2HD2      LEU   9  16.391  -2.088   7.751
   67    H    ALA  10           H        ALA  10  13.141  -0.201   4.047
   68    HA   ALA  10           HA       ALA  10  15.437   1.369   3.112
   69    HB1  ALA  10           1HB      ALA  10  14.334   1.518   0.993
   70    HB2  ALA  10           2HB      ALA  10  14.292  -0.166   1.518
   71    HB3  ALA  10           3HB      ALA  10  12.850   0.838   1.662
   72    H    LEU  11           H        LEU  11  11.903   1.766   3.439
   73    HA   LEU  11           HA       LEU  11  12.020   4.603   3.307
   74    HB2  LEU  11           1HB      LEU  11   9.919   2.604   4.024
   75    HB3  LEU  11           2HB      LEU  11   9.642   4.316   4.336
   76    HG   LEU  11           HG       LEU  11  10.215   3.100   1.633
   77   HD11  LEU  11          1HD1      LEU  11   7.768   4.042   1.361
   78   HD12  LEU  11          2HD1      LEU  11   7.709   3.739   3.097
   79   HD13  LEU  11          3HD1      LEU  11   8.067   2.419   1.983
   80   HD21  LEU  11          3HD2      LEU  11  10.849   5.199   1.169
   81   HD22  LEU  11          1HD2      LEU  11  10.129   5.848   2.643
   82   HD23  LEU  11          2HD2      LEU  11   9.123   5.563   1.222
   83    H    LEU  12           H        LEU  12  12.778   2.426   5.757
   84    HA   LEU  12           HA       LEU  12  12.264   4.399   7.872
   85    HB2  LEU  12           1HB      LEU  12  11.993   1.590   7.751
   86    HB3  LEU  12           2HB      LEU  12  13.305   1.935   8.876
   87    HG   LEU  12           HG       LEU  12  11.272   1.724  10.117
   88   HD11  LEU  12          1HD1      LEU  12  11.505   4.678  10.055
   89   HD12  LEU  12          2HD1      LEU  12  12.958   3.751  10.423
   90   HD13  LEU  12          3HD1      LEU  12  11.518   3.566  11.424
   91   HD21  LEU  12          3HD2      LEU  12   9.737   3.941   9.246
   92   HD22  LEU  12          1HD2      LEU  12   9.308   2.230   9.225
   93   HD23  LEU  12          2HD2      LEU  12  10.113   2.955   7.832
   94    H    ALA  13           H        ALA  13  14.791   2.453   6.376
   95    HA   ALA  13           HA       ALA  13  16.811   3.827   8.007
   96    HB1  ALA  13           1HB      ALA  13  18.143   2.010   7.821
   97    HB2  ALA  13           2HB      ALA  13  16.606   1.199   7.522
   98    HB3  ALA  13           3HB      ALA  13  17.633   1.668   6.167
   99    H    ALA  14           H        ALA  14  16.474   2.720   4.628
  100    HA   ALA  14           HA       ALA  14  18.461   4.302   3.522
  101    HB1  ALA  14           1HB      ALA  14  17.004   2.419   2.481
  102    HB2  ALA  14           2HB      ALA  14  15.957   3.750   1.987
  103    HB3  ALA  14           3HB      ALA  14  17.636   3.703   1.450
  104    H    PHE  15           H        PHE  15  15.340   5.202   4.667
  105    HA   PHE  15           HA       PHE  15  14.971   7.558   3.141
  106    HB2  PHE  15           1HB      PHE  15  13.327   6.207   4.708
  107    HB3  PHE  15           2HB      PHE  15  13.904   7.342   5.924
  108    HD1  PHE  15           HD1      PHE  15  12.328   7.149   2.574
  109    HD2  PHE  15           HD2      PHE  15  13.019   9.493   6.058
  110    HE1  PHE  15           HE1      PHE  15  10.722   8.826   1.759
  111    HE2  PHE  15           HE2      PHE  15  11.414  11.174   5.250
  112    HZ   PHE  15           HZ       PHE  15  10.263  10.841   3.099
  113    H    LYS  16           H        LYS  16  16.867   6.809   5.941
  114    HA   LYS  16           HA       LYS  16  17.221   9.501   6.836
  115    HB2  LYS  16           1HB      LYS  16  18.601   6.897   7.437
  116    HB3  LYS  16           2HB      LYS  16  19.207   8.418   8.079
  117    HG2  LYS  16           1HG      LYS  16  17.793   8.225   9.766
  118    HG3  LYS  16           2HG      LYS  16  16.452   8.372   8.627
  119    HD2  LYS  16           1HD      LYS  16  15.926   6.347   9.522
  120    HD3  LYS  16           2HD      LYS  16  17.014   5.798   8.246
  121    HE2  LYS  16           1HE      LYS  16  18.129   6.492  10.926
  122    HE3  LYS  16           2HE      LYS  16  17.304   4.949  10.708
  123    HZ1  LYS  16           3HZ      LYS  16  19.603   5.900   9.085
  124    HZ2  LYS  16           1HZ      LYS  16  18.832   4.401   8.938
  125    HZ3  LYS  16           2HZ      LYS  16  19.697   4.773  10.343
  126    H    VAL  17           H        VAL  17  17.710  10.354   4.645
  127    HA   VAL  17           HA       VAL  17  20.574  10.051   4.012
  128    HB   VAL  17           HB       VAL  17  19.329  11.198   1.780
  129   HG11  VAL  17          1HG1      VAL  17  20.251   9.407   0.632
  130   HG12  VAL  17          2HG1      VAL  17  21.247   9.485   2.087
  131   HG13  VAL  17          3HG1      VAL  17  19.965   8.280   1.958
  132   HG21  VAL  17          3HG2      VAL  17  17.594   9.586   1.187
  133   HG22  VAL  17          1HG2      VAL  17  17.771   8.808   2.761
  134   HG23  VAL  17          2HG2      VAL  17  17.166  10.462   2.657
  135    H    ARG  18           H        ARG  18  18.078  12.166   4.961
  136    HA   ARG  18           HA       ARG  18  19.062  14.609   3.942
  137    HB2  ARG  18           1HB      ARG  18  16.903  14.848   4.676
  138    HB3  ARG  18           2HB      ARG  18  17.146  13.801   6.068
  139    HG2  ARG  18           1HG      ARG  18  16.747  16.100   6.748
  140    HG3  ARG  18           2HG      ARG  18  18.368  15.574   7.204
  141    HD2  ARG  18           1HD      ARG  18  19.161  17.375   6.169
  142    HD3  ARG  18           2HD      ARG  18  18.640  16.656   4.646
  143    HE   ARG  18           HE       ARG  18  16.872  18.126   4.584
  144   HH11  ARG  18          1HH1      ARG  18  18.379  18.230   7.720
  145   HH12  ARG  18          2HH1      ARG  18  17.503  19.632   8.239
  146   HH21  ARG  18          1HH2      ARG  18  15.711  19.971   5.255
  147   HH22  ARG  18          2HH2      ARG  18  15.985  20.621   6.837
  148    HA   PRO  19           HA       PRO  19  21.198  15.142   8.247
  149    HB2  PRO  19           1HB      PRO  19  21.334  12.950   9.843
  150    HB3  PRO  19           2HB      PRO  19  19.986  14.092   9.893
  151    HG2  PRO  19           1HG      PRO  19  20.170  11.439   8.519
  152    HG3  PRO  19           2HG      PRO  19  18.831  12.121   9.460
  153    HD2  PRO  19           1HD      PRO  19  18.860  12.125   6.753
  154    HD3  PRO  19           2HD      PRO  19  18.086  13.411   7.701
  155    H    THR  20           H        THR  20  21.575  12.554   6.088
  156    HA   THR  20           HA       THR  20  24.072  11.518   6.899
  157    HB   THR  20           HB       THR  20  22.880  11.636   4.121
  158    HG1  THR  20           HG1      THR  20  22.802   9.643   6.160
  159   HG21  THR  20          3HG2      THR  20  25.135  11.144   3.771
  160   HG22  THR  20          1HG2      THR  20  24.384   9.552   3.874
  161   HG23  THR  20          2HG2      THR  20  25.260  10.205   5.259
  162    H    PHE  21           H        PHE  21  23.169  14.414   5.235
  163    HA   PHE  21           HA       PHE  21  25.710  14.926   4.034
  164    HB2  PHE  21           1HB      PHE  21  23.175  16.000   3.788
  165    HB3  PHE  21           2HB      PHE  21  24.076  17.284   4.587
  166    HD1  PHE  21           HD1      PHE  21  24.153  15.019   1.649
  167    HD2  PHE  21           HD2      PHE  21  25.474  18.684   3.365
  168    HE1  PHE  21           HE1      PHE  21  25.116  15.682  -0.516
  169    HE2  PHE  21           HE2      PHE  21  26.438  19.353   1.203
  170    HZ   PHE  21           HZ       PHE  21  26.259  17.852  -0.742
  171    H    ALA  22           H        ALA  22  24.046  16.206   6.906
  172    HA   ALA  22           HA       ALA  22  26.307  17.757   7.738
  173    HB1  ALA  22           1HB      ALA  22  24.741  18.772   8.933
  174    HB2  ALA  22           2HB      ALA  22  23.570  17.541   8.460
  175    HB3  ALA  22           3HB      ALA  22  24.543  17.320   9.914
  176    H    ALA  23           H        ALA  23  24.996  14.591   8.521
  177    HA   ALA  23           HA       ALA  23  26.490  14.047  10.824
  178    HB1  ALA  23           1HB      ALA  23  24.577  12.697  10.032
  179    HB2  ALA  23           2HB      ALA  23  25.595  12.061   8.739
  180    HB3  ALA  23           3HB      ALA  23  25.994  11.722  10.424
  181    H    GLY  24           H        GLY  24  27.247  13.508   7.399
  182    HA2  GLY  24           1HA      GLY  24  30.021  12.889   8.211
  183    HA3  GLY  24           2HA      GLY  24  29.249  12.214   6.783
  184    H    LEU  25           H        LEU  25  28.755  15.546   7.638
  185    HA   LEU  25           HA       LEU  25  29.467  16.557   5.157
  186    HB2  LEU  25           1HB      LEU  25  29.201  18.676   6.060
  187    HB3  LEU  25           2HB      LEU  25  28.186  17.661   7.082
  188    HG   LEU  25           HG       LEU  25  30.408  17.622   8.556
  189   HD11  LEU  25          1HD1      LEU  25  31.877  18.942   7.365
  190   HD12  LEU  25          2HD1      LEU  25  31.179  20.103   8.494
  191   HD13  LEU  25          3HD1      LEU  25  30.613  20.048   6.825
  192   HD21  LEU  25          3HD2      LEU  25  27.976  19.228   8.494
  193   HD22  LEU  25          1HD2      LEU  25  29.296  19.993   9.380
  194   HD23  LEU  25          2HD2      LEU  25  28.744  18.382   9.838
  195    H    LEU  26           H        LEU  26  31.456  15.792   7.907
  196    HA   LEU  26           HA       LEU  26  33.737  17.300   7.241
  197    HB2  LEU  26           1HB      LEU  26  33.120  15.003   8.987
  198    HB3  LEU  26           2HB      LEU  26  34.804  15.166   8.495
  199    HG   LEU  26           HG       LEU  26  34.849  17.430   9.453
  200   HD11  LEU  26          1HD1      LEU  26  32.664  17.520  11.133
  201   HD12  LEU  26          2HD1      LEU  26  31.987  16.974   9.600
  202   HD13  LEU  26          3HD1      LEU  26  32.900  18.481   9.673
  203   HD21  LEU  26          3HD2      LEU  26  35.220  16.714  11.595
  204   HD22  LEU  26          1HD2      LEU  26  35.211  15.168  10.748
  205   HD23  LEU  26          2HD2      LEU  26  33.777  15.700  11.626
  206    H    LEU  27           H        LEU  27  32.450  14.350   5.971
  207    HA   LEU  27           HA       LEU  27  34.892  13.470   4.740
  208    HB2  LEU  27           1HB      LEU  27  32.866  12.055   5.438
  209    HB3  LEU  27           2HB      LEU  27  32.131  12.614   3.936
  210    HG   LEU  27           HG       LEU  27  34.143  11.632   2.747
  211   HD11  LEU  27          1HD1      LEU  27  34.540  10.352   5.447
  212   HD12  LEU  27          2HD1      LEU  27  35.646  11.461   4.636
  213   HD13  LEU  27          3HD1      LEU  27  35.345   9.861   3.956
  214   HD21  LEU  27          3HD2      LEU  27  32.004  10.540   2.658
  215   HD22  LEU  27          1HD2      LEU  27  32.248   9.839   4.258
  216   HD23  LEU  27          2HD2      LEU  27  33.253   9.319   2.906
  217    H    ARG  28           H        ARG  28  35.768  14.681   3.186
  218    HA   ARG  28           HA       ARG  28  34.182  16.305   1.424
  219    HB2  ARG  28           1HB      ARG  28  36.704  16.537   2.335
  220    HB3  ARG  28           2HB      ARG  28  37.028  15.775   0.784
  221    HG2  ARG  28           1HG      ARG  28  36.093  17.561  -0.415
  222    HG3  ARG  28           2HG      ARG  28  35.303  18.217   1.021
  223    HD2  ARG  28           1HD      ARG  28  38.277  17.974   0.961
  224    HD3  ARG  28           2HD      ARG  28  37.501  19.298   0.094
  225    HE   ARG  28           HE       ARG  28  36.380  19.432   2.550
  226   HH11  ARG  28          1HH1      ARG  28  39.673  19.307   1.429
  227   HH12  ARG  28          2HH1      ARG  28  40.298  20.229   2.756
  228   HH21  ARG  28          1HH2      ARG  28  37.190  20.646   4.303
  229   HH22  ARG  28          2HH2      ARG  28  38.884  20.989   4.391
  Start of MODEL    7
    1    H1   ASP   1           H        ASP   1   2.611  -6.439   5.335
    2    HA   ASP   1           HA       ASP   1   0.582  -6.460   3.214
    3    HB2  ASP   1           1HB      ASP   1   2.010  -4.370   4.292
    4    HB3  ASP   1           2HB      ASP   1   2.918  -4.730   2.826
    5    H    ILE   2           H        ILE   2   1.620  -6.290   0.935
    6    HA   ILE   2           HA       ILE   2   2.746  -8.712   0.262
    7    HB   ILE   2           HB       ILE   2   3.070  -6.110  -1.237
    8   HG12  ILE   2          1HG1      ILE   2   1.125  -7.949  -2.314
    9   HG13  ILE   2          2HG1      ILE   2   0.748  -7.585  -0.633
   10   HG21  ILE   2          1HG2      ILE   2   3.305  -8.961  -2.193
   11   HG22  ILE   2          2HG2      ILE   2   3.383  -7.523  -3.210
   12   HG23  ILE   2          3HG2      ILE   2   4.633  -7.816  -2.001
   13   HD11  ILE   2          3HD1      ILE   2  -0.273  -5.777  -1.409
   14   HD12  ILE   2          1HD1      ILE   2   1.337  -5.119  -1.700
   15   HD13  ILE   2          2HD1      ILE   2   0.472  -5.940  -2.999
   16    H    GLY   3           H        GLY   3   4.367  -5.679   1.062
   17    HA2  GLY   3           1HA      GLY   3   6.804  -7.144   1.638
   18    HA3  GLY   3           2HA      GLY   3   6.925  -6.000   0.309
   19    H    MET   4           H        MET   4   5.891  -6.203   3.707
   20    HA   MET   4           HA       MET   4   6.263  -3.365   4.084
   21    HB2  MET   4           1HB      MET   4   4.827  -5.397   5.394
   22    HB3  MET   4           2HB      MET   4   6.033  -4.846   6.549
   23    HG2  MET   4           1HG      MET   4   5.025  -2.505   5.493
   24    HG3  MET   4           2HG      MET   4   3.614  -3.552   5.623
   25    HE1  MET   4           3HE      MET   4   3.111  -1.221   8.360
   26    HE2  MET   4           1HE      MET   4   4.786  -0.703   8.159
   27    HE3  MET   4           2HE      MET   4   3.784  -1.017   6.742
   28    H    GLY   5           H        GLY   5   8.224  -6.133   4.201
   29    HA2  GLY   5           1HA      GLY   5  10.044  -5.245   6.235
   30    HA3  GLY   5           2HA      GLY   5  10.305  -6.566   5.107
   31    H    VAL   6           H        VAL   6   9.611  -4.500   2.920
   32    HA   VAL   6           HA       VAL   6  12.357  -3.713   2.465
   33    HB   VAL   6           HB       VAL   6  10.748  -4.606   0.682
   34   HG11  VAL   6          1HG1      VAL   6   9.899  -1.765   0.335
   35   HG12  VAL   6          2HG1      VAL   6   9.142  -3.246  -0.254
   36   HG13  VAL   6          3HG1      VAL   6   9.014  -2.807   1.449
   37   HG21  VAL   6          3HG2      VAL   6  11.961  -3.563  -1.001
   38   HG22  VAL   6          1HG2      VAL   6  12.022  -2.025  -0.141
   39   HG23  VAL   6          2HG2      VAL   6  13.011  -3.380   0.403
   40    H    THR   7           H        THR   7   9.329  -2.214   3.354
   41    HA   THR   7           HA       THR   7  10.262   0.477   2.942
   42    HB   THR   7           HB       THR   7   7.920   0.190   2.710
   43    HG1  THR   7           HG1      THR   7   8.080   1.278   5.317
   44   HG21  THR   7          3HG2      THR   7   7.529  -1.851   3.872
   45   HG22  THR   7          1HG2      THR   7   6.527  -0.626   4.650
   46   HG23  THR   7          2HG2      THR   7   8.031  -1.148   5.409
   47    H    TYR   8           H        TYR   8   9.899  -1.721   5.675
   48    HA   TYR   8           HA       TYR   8  10.552   0.208   7.668
   49    HB2  TYR   8           1HB      TYR   8   9.292  -1.934   8.068
   50    HB3  TYR   8           2HB      TYR   8  10.815  -2.796   7.875
   51    HD1  TYR   8           HD1      TYR   8  12.585  -2.585   9.557
   52    HD2  TYR   8           HD2      TYR   8   8.822  -0.665  10.062
   53    HE1  TYR   8           HE1      TYR   8  13.087  -2.242  11.940
   54    HE2  TYR   8           HE2      TYR   8   9.314  -0.315  12.447
   55    HH   TYR   8           HH       TYR   8  12.137  -1.726  13.966
   56    H    LEU   9           H        LEU   9  12.395  -1.455   5.372
   57    HA   LEU   9           HA       LEU   9  14.863  -1.068   6.928
   58    HB2  LEU   9           1HB      LEU   9  13.957  -3.121   5.070
   59    HB3  LEU   9           2HB      LEU   9  15.559  -2.499   4.678
   60    HG   LEU   9           HG       LEU   9  14.733  -3.722   7.311
   61   HD11  LEU   9          1HD1      LEU   9  16.851  -5.046   5.882
   62   HD12  LEU   9          2HD1      LEU   9  15.390  -4.959   4.899
   63   HD13  LEU   9          3HD1      LEU   9  15.332  -5.697   6.500
   64   HD21  LEU   9          3HD2      LEU   9  16.412  -2.325   7.973
   65   HD22  LEU   9          1HD2      LEU   9  17.178  -2.309   6.385
   66   HD23  LEU   9          2HD2      LEU   9  17.372  -3.707   7.443
   67    H    ALA  10           H        ALA  10  13.158  -0.213   4.021
   68    HA   ALA  10           HA       ALA  10  15.467   1.317   3.050
   69    HB1  ALA  10           1HB      ALA  10  14.298  -0.234   1.487
   70    HB2  ALA  10           2HB      ALA  10  12.869   0.792   1.618
   71    HB3  ALA  10           3HB      ALA  10  14.359   1.440   0.933
   72    H    LEU  11           H        LEU  11  11.940   1.751   3.400
   73    HA   LEU  11           HA       LEU  11  12.086   4.586   3.221
   74    HB2  LEU  11           1HB      LEU  11   9.965   2.620   3.973
   75    HB3  LEU  11           2HB      LEU  11   9.707   4.340   4.256
   76    HG   LEU  11           HG       LEU  11  10.267   3.078   1.573
   77   HD11  LEU  11          1HD1      LEU  11   7.801   3.560   3.084
   78   HD12  LEU  11          2HD1      LEU  11   8.117   2.463   1.740
   79   HD13  LEU  11          3HD1      LEU  11   7.785   4.166   1.427
   80   HD21  LEU  11          3HD2      LEU  11   9.746   5.902   2.455
   81   HD22  LEU  11          1HD2      LEU  11   9.462   5.365   0.800
   82   HD23  LEU  11          2HD2      LEU  11  11.084   5.279   1.488
   83    H    LEU  12           H        LEU  12  12.830   2.436   5.697
   84    HA   LEU  12           HA       LEU  12  12.343   4.443   7.786
   85    HB2  LEU  12           1HB      LEU  12  12.041   1.635   7.704
   86    HB3  LEU  12           2HB      LEU  12  13.355   1.983   8.825
   87    HG   LEU  12           HG       LEU  12  11.599   3.703   9.799
   88   HD11  LEU  12          1HD1      LEU  12  10.044   2.743   7.841
   89   HD12  LEU  12          2HD1      LEU  12   9.412   3.333   9.378
   90   HD13  LEU  12          3HD1      LEU  12   9.638   1.603   9.124
   91   HD21  LEU  12          3HD2      LEU  12  11.896   0.766  10.274
   92   HD22  LEU  12          1HD2      LEU  12  10.726   1.702  11.205
   93   HD23  LEU  12          2HD2      LEU  12  12.438   2.123  11.263
   94    H    ALA  13           H        ALA  13  14.843   2.424   6.336
   95    HA   ALA  13           HA       ALA  13  16.884   3.790   7.942
   96    HB1  ALA  13           1HB      ALA  13  17.665   1.615   6.099
   97    HB2  ALA  13           2HB      ALA  13  18.198   1.958   7.746
   98    HB3  ALA  13           3HB      ALA  13  16.647   1.167   7.468
   99    H    ALA  14           H        ALA  14  16.481   2.708   4.561
  100    HA   ALA  14           HA       ALA  14  18.498   4.283   3.462
  101    HB1  ALA  14           1HB      ALA  14  17.043   2.374   2.435
  102    HB2  ALA  14           2HB      ALA  14  16.026   3.710   1.892
  103    HB3  ALA  14           3HB      ALA  14  17.717   3.631   1.398
  104    H    PHE  15           H        PHE  15  15.412   5.181   4.646
  105    HA   PHE  15           HA       PHE  15  15.128   7.572   3.081
  106    HB2  PHE  15           1HB      PHE  15  13.357   6.099   4.461
  107    HB3  PHE  15           2HB      PHE  15  13.712   7.320   5.678
  108    HD1  PHE  15           HD1      PHE  15  12.709   6.955   2.116
  109    HD2  PHE  15           HD2      PHE  15  12.605   9.351   5.633
  110    HE1  PHE  15           HE1      PHE  15  11.146   8.501   1.012
  111    HE2  PHE  15           HE2      PHE  15  11.041  10.900   4.535
  112    HZ   PHE  15           HZ       PHE  15  10.308  10.476   2.222
  113    H    LYS  16           H        LYS  16  16.774   6.682   5.967
  114    HA   LYS  16           HA       LYS  16  16.889   9.156   7.288
  115    HB2  LYS  16           1HB      LYS  16  18.735   6.775   7.255
  116    HB3  LYS  16           2HB      LYS  16  19.071   8.197   8.235
  117    HG2  LYS  16           1HG      LYS  16  17.396   7.756   9.704
  118    HG3  LYS  16           2HG      LYS  16  16.388   6.965   8.490
  119    HD2  LYS  16           1HD      LYS  16  17.045   5.186   9.818
  120    HD3  LYS  16           2HD      LYS  16  18.238   5.141   8.518
  121    HE2  LYS  16           1HE      LYS  16  19.583   6.713  10.136
  122    HE3  LYS  16           2HE      LYS  16  18.549   5.983  11.363
  123    HZ1  LYS  16           3HZ      LYS  16  19.855   4.172   9.488
  124    HZ2  LYS  16           1HZ      LYS  16  19.539   3.978  11.139
  125    HZ3  LYS  16           2HZ      LYS  16  20.846   4.925  10.633
  126    H    VAL  17           H        VAL  17  18.301   8.132   4.366
  127    HA   VAL  17           HA       VAL  17  20.708   9.451   4.213
  128    HB   VAL  17           HB       VAL  17  20.246   9.733   1.771
  129   HG11  VAL  17          1HG1      VAL  17  19.634   7.129   1.562
  130   HG12  VAL  17          2HG1      VAL  17  21.227   7.714   2.047
  131   HG13  VAL  17          3HG1      VAL  17  20.066   7.196   3.270
  132   HG21  VAL  17          3HG2      VAL  17  17.945  10.182   1.653
  133   HG22  VAL  17          1HG2      VAL  17  18.119   8.558   0.986
  134   HG23  VAL  17          2HG2      VAL  17  17.532   8.776   2.635
  135    H    ARG  18           H        ARG  18  17.461  10.789   3.787
  136    HA   ARG  18           HA       ARG  18  17.903  13.269   2.806
  137    HB2  ARG  18           1HB      ARG  18  15.708  12.298   3.605
  138    HB3  ARG  18           2HB      ARG  18  16.160  12.806   5.226
  139    HG2  ARG  18           1HG      ARG  18  16.435  14.984   3.365
  140    HG3  ARG  18           2HG      ARG  18  14.811  14.296   3.301
  141    HD2  ARG  18           1HD      ARG  18  16.257  15.311   5.744
  142    HD3  ARG  18           2HD      ARG  18  14.874  16.059   4.947
  143    HE   ARG  18           HE       ARG  18  14.819  13.901   6.821
  144   HH11  ARG  18          1HH1      ARG  18  13.182  15.311   4.091
  145   HH12  ARG  18          2HH1      ARG  18  11.637  14.646   4.508
  146   HH21  ARG  18          1HH2      ARG  18  12.791  13.019   7.380
  147   HH22  ARG  18          2HH2      ARG  18  11.416  13.343   6.379
  148    HA   PRO  19           HA       PRO  19  20.960  14.716   5.801
  149    HB2  PRO  19           1HB      PRO  19  21.819  16.773   4.251
  150    HB3  PRO  19           2HB      PRO  19  22.364  15.107   4.024
  151    HG2  PRO  19           1HG      PRO  19  20.264  16.633   2.532
  152    HG3  PRO  19           2HG      PRO  19  21.519  15.549   1.903
  153    HD2  PRO  19           1HD      PRO  19  18.948  14.765   2.231
  154    HD3  PRO  19           2HD      PRO  19  20.318  13.652   2.421
  155    H    THR  20           H        THR  20  18.302  16.365   4.286
  156    HA   THR  20           HA       THR  20  18.407  18.883   5.404
  157    HB   THR  20           HB       THR  20  15.705  17.774   5.491
  158    HG1  THR  20           HG1      THR  20  17.199  17.576   3.068
  159   HG21  THR  20          3HG2      THR  20  15.565  20.003   5.164
  160   HG22  THR  20          1HG2      THR  20  15.767  19.580   3.464
  161   HG23  THR  20          2HG2      THR  20  17.159  20.096   4.416
  162    H    PHE  21           H        PHE  21  17.688  15.847   6.933
  163    HA   PHE  21           HA       PHE  21  16.387  16.843   9.238
  164    HB2  PHE  21           1HB      PHE  21  16.955  14.341   8.232
  165    HB3  PHE  21           2HB      PHE  21  17.990  14.427   9.654
  166    HD1  PHE  21           HD1      PHE  21  14.492  15.363   8.737
  167    HD2  PHE  21           HD2      PHE  21  17.103  13.558  11.572
  168    HE1  PHE  21           HE1      PHE  21  12.562  14.825  10.165
  169    HE2  PHE  21           HE2      PHE  21  15.178  13.016  13.005
  170    HZ   PHE  21           HZ       PHE  21  12.904  13.648  12.302
  171    H    ALA  22           H        ALA  22  19.771  15.898   8.665
  172    HA   ALA  22           HA       ALA  22  20.626  16.821  11.245
  173    HB1  ALA  22           1HB      ALA  22  22.555  15.764  10.796
  174    HB2  ALA  22           2HB      ALA  22  21.651  15.056   9.457
  175    HB3  ALA  22           3HB      ALA  22  22.680  16.461   9.180
  176    H    ALA  23           H        ALA  23  20.451  18.148   8.023
  177    HA   ALA  23           HA       ALA  23  22.244  20.284   8.291
  178    HB1  ALA  23           1HB      ALA  23  21.389  19.660   6.132
  179    HB2  ALA  23           2HB      ALA  23  19.743  20.058   6.624
  180    HB3  ALA  23           3HB      ALA  23  20.947  21.336   6.459
  181    H    GLY  24           H        GLY  24  18.754  20.107   8.954
  182    HA2  GLY  24           1HA      GLY  24  19.014  22.659  10.424
  183    HA3  GLY  24           2HA      GLY  24  17.553  22.170   9.577
  184    H    LEU  25           H        LEU  25  19.403  19.861  11.406
  185    HA   LEU  25           HA       LEU  25  17.283  18.897  12.883
  186    HB2  LEU  25           1HB      LEU  25  18.817  17.651  14.096
  187    HB3  LEU  25           2HB      LEU  25  19.639  17.944  12.565
  188    HG   LEU  25           HG       LEU  25  20.635  19.991  13.955
  189   HD11  LEU  25          1HD1      LEU  25  21.194  18.802  16.244
  190   HD12  LEU  25          2HD1      LEU  25  19.621  18.055  15.967
  191   HD13  LEU  25          3HD1      LEU  25  19.760  19.811  16.052
  192   HD21  LEU  25          3HD2      LEU  25  21.780  17.262  14.420
  193   HD22  LEU  25          1HD2      LEU  25  22.616  18.781  14.099
  194   HD23  LEU  25          2HD2      LEU  25  21.738  17.968  12.804
  195    H    LEU  26           H        LEU  26  19.317  21.659  13.500
  196    HA   LEU  26           HA       LEU  26  18.726  22.032  16.227
  197    HB2  LEU  26           1HB      LEU  26  19.838  23.659  14.032
  198    HB3  LEU  26           2HB      LEU  26  19.136  24.556  15.377
  199    HG   LEU  26           HG       LEU  26  20.665  23.361  16.916
  200   HD11  LEU  26          1HD1      LEU  26  20.940  21.387  15.354
  201   HD12  LEU  26          2HD1      LEU  26  22.403  21.974  16.143
  202   HD13  LEU  26          3HD1      LEU  26  22.087  22.382  14.457
  203   HD21  LEU  26          3HD2      LEU  26  21.154  25.548  15.460
  204   HD22  LEU  26          1HD2      LEU  26  22.470  24.526  14.883
  205   HD23  LEU  26          2HD2      LEU  26  22.318  24.879  16.605
  206    H    LEU  27           H        LEU  27  16.931  22.670  17.218
  207    HA   LEU  27           HA       LEU  27  14.510  23.094  15.879
  208    HB2  LEU  27           1HB      LEU  27  15.234  22.613  18.449
  209    HB3  LEU  27           2HB      LEU  27  14.754  24.306  18.547
  210    HG   LEU  27           HG       LEU  27  12.896  22.373  17.248
  211   HD11  LEU  27          1HD1      LEU  27  12.742  22.727  20.198
  212   HD12  LEU  27          2HD1      LEU  27  13.853  21.524  19.543
  213   HD13  LEU  27          3HD1      LEU  27  12.130  21.422  19.181
  214   HD21  LEU  27          3HD2      LEU  27  12.751  25.012  17.675
  215   HD22  LEU  27          1HD2      LEU  27  12.046  24.435  19.186
  216   HD23  LEU  27          2HD2      LEU  27  11.334  23.961  17.643
  217    H    ARG  28           H        ARG  28  13.397  24.889  15.265
  218    HA   ARG  28           HA       ARG  28  14.786  27.197  14.545
  219    HB2  ARG  28           1HB      ARG  28  12.488  26.267  13.740
  220    HB3  ARG  28           2HB      ARG  28  11.829  27.242  15.047
  221    HG2  ARG  28           1HG      ARG  28  12.969  29.222  14.050
  222    HG3  ARG  28           2HG      ARG  28  13.413  28.204  12.678
  223    HD2  ARG  28           1HD      ARG  28  11.474  29.158  11.902
  224    HD3  ARG  28           2HD      ARG  28  10.851  27.677  12.627
  225    HE   ARG  28           HE       ARG  28  10.850  29.763  14.530
  226   HH11  ARG  28          1HH1      ARG  28   9.182  28.679  11.673
  227   HH12  ARG  28          2HH1      ARG  28   7.682  29.430  12.105
  228   HH21  ARG  28          1HH2      ARG  28   8.881  30.757  15.110
  229   HH22  ARG  28          2HH2      ARG  28   7.512  30.613  14.060
  Start of MODEL    8
    1    H1   ASP   1           H        ASP   1   2.988  -7.172   5.136
    2    HA   ASP   1           HA       ASP   1   0.785  -7.409   3.221
    3    HB2  ASP   1           1HB      ASP   1   1.880  -5.198   4.382
    4    HB3  ASP   1           2HB      ASP   1   2.755  -5.246   2.854
    5    H    ILE   2           H        ILE   2   1.704  -6.556   0.909
    6    HA   ILE   2           HA       ILE   2   2.943  -8.712  -0.278
    7    HB   ILE   2           HB       ILE   2   1.768  -7.053  -1.595
    8   HG12  ILE   2          1HG1      ILE   2   4.679  -7.094  -2.414
    9   HG13  ILE   2          2HG1      ILE   2   3.569  -8.441  -2.643
   10   HG21  ILE   2          1HG2      ILE   2   2.507  -5.092  -0.255
   11   HG22  ILE   2          2HG2      ILE   2   4.069  -5.182  -1.066
   12   HG23  ILE   2          3HG2      ILE   2   2.611  -4.843  -1.998
   13   HD11  ILE   2          3HD1      ILE   2   2.340  -6.157  -3.744
   14   HD12  ILE   2          1HD1      ILE   2   4.011  -6.182  -4.308
   15   HD13  ILE   2          2HD1      ILE   2   2.966  -7.577  -4.581
   16    H    GLY   3           H        GLY   3   4.408  -5.823   1.117
   17    HA2  GLY   3           1HA      GLY   3   6.904  -7.165   1.493
   18    HA3  GLY   3           2HA      GLY   3   6.991  -5.996   0.184
   19    H    MET   4           H        MET   4   5.938  -6.266   3.573
   20    HA   MET   4           HA       MET   4   6.276  -3.431   3.995
   21    HB2  MET   4           1HB      MET   4   4.825  -5.469   5.245
   22    HB3  MET   4           2HB      MET   4   6.040  -4.993   6.424
   23    HG2  MET   4           1HG      MET   4   4.031  -3.724   6.771
   24    HG3  MET   4           2HG      MET   4   5.314  -2.659   6.205
   25    HE1  MET   4           3HE      MET   4   3.575  -0.965   5.954
   26    HE2  MET   4           1HE      MET   4   2.551  -0.768   4.531
   27    HE3  MET   4           2HE      MET   4   1.990  -1.737   5.893
   28    H    GLY   5           H        GLY   5   8.269  -6.176   4.089
   29    HA2  GLY   5           1HA      GLY   5  10.059  -5.302   6.154
   30    HA3  GLY   5           2HA      GLY   5  10.349  -6.596   5.001
   31    H    VAL   6           H        VAL   6   9.661  -4.527   2.833
   32    HA   VAL   6           HA       VAL   6  12.395  -3.684   2.424
   33    HB   VAL   6           HB       VAL   6  10.805  -4.557   0.612
   34   HG11  VAL   6          1HG1      VAL   6   9.937  -1.715   0.324
   35   HG12  VAL   6          2HG1      VAL   6   9.203  -3.185  -0.318
   36   HG13  VAL   6          3HG1      VAL   6   9.047  -2.796   1.395
   37   HG21  VAL   6          3HG2      VAL   6  12.018  -3.465  -1.044
   38   HG22  VAL   6          1HG2      VAL   6  12.073  -1.951  -0.141
   39   HG23  VAL   6          2HG2      VAL   6  13.062  -3.318   0.371
   40    H    THR   7           H        THR   7   9.339  -2.236   3.309
   41    HA   THR   7           HA       THR   7  10.253   0.472   2.968
   42    HB   THR   7           HB       THR   7   7.918   0.168   2.690
   43    HG1  THR   7           HG1      THR   7   8.106   1.224   5.319
   44   HG21  THR   7          3HG2      THR   7   7.995  -1.218   5.366
   45   HG22  THR   7          1HG2      THR   7   7.528  -1.900   3.809
   46   HG23  THR   7          2HG2      THR   7   6.500  -0.698   4.588
   47    H    TYR   8           H        TYR   8   9.864  -1.788   5.646
   48    HA   TYR   8           HA       TYR   8  10.454   0.097   7.696
   49    HB2  TYR   8           1HB      TYR   8   9.236  -2.091   8.008
   50    HB3  TYR   8           2HB      TYR   8  10.788  -2.903   7.837
   51    HD1  TYR   8           HD1      TYR   8  12.527  -2.633   9.560
   52    HD2  TYR   8           HD2      TYR   8   8.657  -0.927  10.026
   53    HE1  TYR   8           HE1      TYR   8  12.957  -2.329  11.963
   54    HE2  TYR   8           HE2      TYR   8   9.077  -0.617  12.429
   55    HH   TYR   8           HH       TYR   8  11.667  -0.417  13.835
   56    H    LEU   9           H        LEU   9  12.368  -1.488   5.395
   57    HA   LEU   9           HA       LEU   9  14.803  -1.077   6.997
   58    HB2  LEU   9           1HB      LEU   9  13.967  -3.118   5.102
   59    HB3  LEU   9           2HB      LEU   9  15.552  -2.449   4.721
   60    HG   LEU   9           HG       LEU   9  14.755  -3.732   7.334
   61   HD11  LEU   9          1HD1      LEU   9  15.940  -5.621   6.684
   62   HD12  LEU   9          2HD1      LEU   9  16.772  -4.773   5.381
   63   HD13  LEU   9          3HD1      LEU   9  15.062  -5.172   5.222
   64   HD21  LEU   9          3HD2      LEU   9  17.287  -2.424   6.387
   65   HD22  LEU   9          1HD2      LEU   9  17.283  -3.632   7.673
   66   HD23  LEU   9          2HD2      LEU   9  16.379  -2.130   7.871
   67    H    ALA  10           H        ALA  10  13.141  -0.227   4.058
   68    HA   ALA  10           HA       ALA  10  15.429   1.365   3.149
   69    HB1  ALA  10           1HB      ALA  10  14.336   1.521   1.030
   70    HB2  ALA  10           2HB      ALA  10  14.275  -0.164   1.549
   71    HB3  ALA  10           3HB      ALA  10  12.842   0.855   1.691
   72    H    LEU  11           H        LEU  11  11.894   1.768   3.460
   73    HA   LEU  11           HA       LEU  11  12.002   4.599   3.339
   74    HB2  LEU  11           1HB      LEU  11   9.920   2.589   4.071
   75    HB3  LEU  11           2HB      LEU  11   9.637   4.295   4.413
   76    HG   LEU  11           HG       LEU  11  10.174   3.120   1.685
   77   HD11  LEU  11          1HD1      LEU  11   7.693   3.718   3.201
   78   HD12  LEU  11          2HD1      LEU  11   8.031   2.436   2.039
   79   HD13  LEU  11          3HD1      LEU  11   7.717   4.076   1.474
   80   HD21  LEU  11          3HD2      LEU  11   9.404   5.399   0.947
   81   HD22  LEU  11          1HD2      LEU  11  10.987   5.349   1.724
   82   HD23  LEU  11          2HD2      LEU  11   9.581   5.919   2.624
   83    H    LEU  12           H        LEU  12  12.795   2.430   5.786
   84    HA   LEU  12           HA       LEU  12  12.294   4.402   7.904
   85    HB2  LEU  12           1HB      LEU  12  12.007   1.613   7.798
   86    HB3  LEU  12           2HB      LEU  12  13.390   1.917   8.847
   87    HG   LEU  12           HG       LEU  12  10.552   2.855   9.217
   88   HD11  LEU  12          1HD1      LEU  12  11.706   0.515   9.946
   89   HD12  LEU  12          2HD1      LEU  12  10.371   1.282  10.806
   90   HD13  LEU  12          3HD1      LEU  12  12.028   1.509  11.367
   91   HD21  LEU  12          3HD2      LEU  12  11.845   4.721   9.854
   92   HD22  LEU  12          1HD2      LEU  12  13.075   3.709  10.612
   93   HD23  LEU  12          2HD2      LEU  12  11.480   3.859  11.350
   94    H    ALA  13           H        ALA  13  14.830   2.438   6.428
   95    HA   ALA  13           HA       ALA  13  16.851   3.865   8.006
   96    HB1  ALA  13           1HB      ALA  13  16.617   1.190   7.279
   97    HB2  ALA  13           2HB      ALA  13  17.910   1.824   6.260
   98    HB3  ALA  13           3HB      ALA  13  18.017   1.973   8.014
   99    H    ALA  14           H        ALA  14  16.487   2.722   4.641
  100    HA   ALA  14           HA       ALA  14  18.447   4.301   3.492
  101    HB1  ALA  14           1HB      ALA  14  16.983   2.413   2.484
  102    HB2  ALA  14           2HB      ALA  14  15.912   3.732   2.011
  103    HB3  ALA  14           3HB      ALA  14  17.578   3.700   1.434
  104    H    PHE  15           H        PHE  15  15.336   5.205   4.671
  105    HA   PHE  15           HA       PHE  15  14.943   7.552   3.141
  106    HB2  PHE  15           1HB      PHE  15  13.323   6.219   4.738
  107    HB3  PHE  15           2HB      PHE  15  13.932   7.343   5.949
  108    HD1  PHE  15           HD1      PHE  15  12.780   7.544   2.401
  109    HD2  PHE  15           HD2      PHE  15  12.573   9.136   6.342
  110    HE1  PHE  15           HE1      PHE  15  11.172   9.239   1.628
  111    HE2  PHE  15           HE2      PHE  15  10.965  10.833   5.577
  112    HZ   PHE  15           HZ       PHE  15  10.261  10.885   3.217
  113    H    LYS  16           H        LYS  16  16.873   6.828   5.932
  114    HA   LYS  16           HA       LYS  16  17.252   9.531   6.782
  115    HB2  LYS  16           1HB      LYS  16  18.639   6.932   7.398
  116    HB3  LYS  16           2HB      LYS  16  19.243   8.462   8.021
  117    HG2  LYS  16           1HG      LYS  16  17.845   8.273   9.722
  118    HG3  LYS  16           2HG      LYS  16  16.496   8.416   8.593
  119    HD2  LYS  16           1HD      LYS  16  15.973   6.396   9.500
  120    HD3  LYS  16           2HD      LYS  16  17.054   5.839   8.220
  121    HE2  LYS  16           1HE      LYS  16  18.781   5.406   9.687
  122    HE3  LYS  16           2HE      LYS  16  18.184   6.548  10.891
  123    HZ1  LYS  16           3HZ      LYS  16  16.532   5.052  11.577
  124    HZ2  LYS  16           1HZ      LYS  16  17.930   4.111  11.424
  125    HZ3  LYS  16           2HZ      LYS  16  16.736   4.053  10.227
  126    H    VAL  17           H        VAL  17  17.724  10.371   4.591
  127    HA   VAL  17           HA       VAL  17  20.573  10.031   3.911
  128    HB   VAL  17           HB       VAL  17  19.297  11.187   1.698
  129   HG11  VAL  17          1HG1      VAL  17  20.187   9.386   0.537
  130   HG12  VAL  17          2HG1      VAL  17  21.214   9.469   1.969
  131   HG13  VAL  17          3HG1      VAL  17  19.927   8.266   1.874
  132   HG21  VAL  17          3HG2      VAL  17  17.744   8.807   2.713
  133   HG22  VAL  17          1HG2      VAL  17  17.148  10.464   2.609
  134   HG23  VAL  17          2HG2      VAL  17  17.547   9.576   1.139
  135    H    ARG  18           H        ARG  18  18.122  12.178   4.899
  136    HA   ARG  18           HA       ARG  18  19.083  14.608   3.849
  137    HB2  ARG  18           1HB      ARG  18  16.912  14.706   4.705
  138    HB3  ARG  18           2HB      ARG  18  17.359  13.883   6.193
  139    HG2  ARG  18           1HG      ARG  18  18.715  16.443   5.792
  140    HG3  ARG  18           2HG      ARG  18  16.960  16.560   5.940
  141    HD2  ARG  18           1HD      ARG  18  17.341  14.944   7.972
  142    HD3  ARG  18           2HD      ARG  18  18.977  15.599   7.915
  143    HE   ARG  18           HE       ARG  18  18.174  17.605   8.697
  144   HH11  ARG  18          1HH1      ARG  18  15.515  15.579   7.727
  145   HH12  ARG  18          2HH1      ARG  18  14.306  16.614   8.412
  146   HH21  ARG  18          1HH2      ARG  18  16.593  18.976   9.604
  147   HH22  ARG  18          2HH2      ARG  18  14.920  18.546   9.479
  148    HA   PRO  19           HA       PRO  19  21.445  15.065   8.054
  149    HB2  PRO  19           1HB      PRO  19  21.748  12.810   9.534
  150    HB3  PRO  19           2HB      PRO  19  20.374  13.905   9.723
  151    HG2  PRO  19           1HG      PRO  19  20.546  11.323   8.218
  152    HG3  PRO  19           2HG      PRO  19  19.251  11.919   9.272
  153    HD2  PRO  19           1HD      PRO  19  19.104  12.045   6.572
  154    HD3  PRO  19           2HD      PRO  19  18.357  13.262   7.627
  155    H    THR  20           H        THR  20  21.753  12.564   5.775
  156    HA   THR  20           HA       THR  20  24.336  11.599   6.376
  157    HB   THR  20           HB       THR  20  22.961  11.753   3.686
  158    HG1  THR  20           HG1      THR  20  21.893  10.527   5.412
  159   HG21  THR  20          3HG2      THR  20  25.422  10.322   4.644
  160   HG22  THR  20          1HG2      THR  20  25.219  11.334   3.215
  161   HG23  THR  20          2HG2      THR  20  24.489   9.730   3.270
  162    H    PHE  21           H        PHE  21  23.216  14.511   4.888
  163    HA   PHE  21           HA       PHE  21  25.646  15.149   3.520
  164    HB2  PHE  21           1HB      PHE  21  23.061  16.134   3.488
  165    HB3  PHE  21           2HB      PHE  21  23.974  17.429   4.256
  166    HD1  PHE  21           HD2      PHE  21  26.293  17.943   3.020
  167    HD2  PHE  21           HD1      PHE  21  22.850  16.211   1.213
  168    HE1  PHE  21           HE2      PHE  21  27.074  18.701   0.814
  169    HE2  PHE  21           HE1      PHE  21  23.626  16.965  -0.997
  170    HZ   PHE  21           HZ       PHE  21  25.740  18.213  -1.198
  171    H    ALA  22           H        ALA  22  24.146  16.274   6.542
  172    HA   ALA  22           HA       ALA  22  26.405  17.887   7.261
  173    HB1  ALA  22           1HB      ALA  22  24.277  16.989   9.174
  174    HB2  ALA  22           2HB      ALA  22  25.202  18.491   9.168
  175    HB3  ALA  22           3HB      ALA  22  23.956  18.218   7.950
  176    H    ALA  23           H        ALA  23  25.271  14.650   8.013
  177    HA   ALA  23           HA       ALA  23  26.905  14.083  10.207
  178    HB1  ALA  23           1HB      ALA  23  26.635  11.690   9.494
  179    HB2  ALA  23           2HB      ALA  23  25.131  12.593   9.681
  180    HB3  ALA  23           3HB      ALA  23  25.780  12.286   8.070
  181    H    GLY  24           H        GLY  24  27.509  13.620   6.732
  182    HA2  GLY  24           1HA      GLY  24  30.356  13.183   7.390
  183    HA3  GLY  24           2HA      GLY  24  29.553  12.474   5.997
  184    H    LEU  25           H        LEU  25  28.903  15.761   6.916
  185    HA   LEU  25           HA       LEU  25  29.378  16.856   4.430
  186    HB2  LEU  25           1HB      LEU  25  29.122  18.945   5.405
  187    HB3  LEU  25           2HB      LEU  25  28.240  17.870   6.489
  188    HG   LEU  25           HG       LEU  25  30.594  17.885   7.750
  189   HD11  LEU  25          1HD1      LEU  25  30.509  20.408   6.136
  190   HD12  LEU  25          2HD1      LEU  25  31.854  19.299   6.397
  191   HD13  LEU  25          3HD1      LEU  25  31.312  20.350   7.705
  192   HD21  LEU  25          3HD2      LEU  25  28.118  19.437   7.947
  193   HD22  LEU  25          1HD2      LEU  25  29.495  20.154   8.784
  194   HD23  LEU  25          2HD2      LEU  25  28.982  18.512   9.176
  195    H    LEU  26           H        LEU  26  31.637  16.145   6.987
  196    HA   LEU  26           HA       LEU  26  33.789  17.739   6.119
  197    HB2  LEU  26           1HB      LEU  26  33.426  15.420   7.909
  198    HB3  LEU  26           2HB      LEU  26  35.053  15.667   7.278
  199    HG   LEU  26           HG       LEU  26  35.068  17.929   8.237
  200   HD11  LEU  26          1HD1      LEU  26  33.053  18.851   8.545
  201   HD12  LEU  26          2HD1      LEU  26  33.070  17.998  10.089
  202   HD13  LEU  26          3HD1      LEU  26  32.250  17.288   8.698
  203   HD21  LEU  26          3HD2      LEU  26  36.068  16.305   9.603
  204   HD22  LEU  26          1HD2      LEU  26  34.515  15.594  10.043
  205   HD23  LEU  26          2HD2      LEU  26  34.969  17.178  10.672
  206    H    LEU  27           H        LEU  27  35.929  16.662   5.405
  207    HA   LEU  27           HA       LEU  27  35.506  14.535   3.448
  208    HB2  LEU  27           1HB      LEU  27  35.530  17.188   2.680
  209    HB3  LEU  27           2HB      LEU  27  37.185  16.659   2.383
  210    HG   LEU  27           HG       LEU  27  35.777  16.480   0.384
  211   HD11  LEU  27          1HD1      LEU  27  37.510  14.985   0.239
  212   HD12  LEU  27          2HD1      LEU  27  36.127  13.899   0.112
  213   HD13  LEU  27          3HD1      LEU  27  36.981  14.063   1.647
  214   HD21  LEU  27          3HD2      LEU  27  33.705  15.923   1.833
  215   HD22  LEU  27          1HD2      LEU  27  34.263  14.256   1.694
  216   HD23  LEU  27          2HD2      LEU  27  33.867  15.176   0.243
  217    H    ARG  28           H        ARG  28  36.899  14.754   6.012
  218    HA   ARG  28           HA       ARG  28  39.721  14.692   5.304
  219    HB2  ARG  28           1HB      ARG  28  38.153  14.874   7.796
  220    HB3  ARG  28           2HB      ARG  28  39.637  13.938   7.916
  221    HG2  ARG  28           1HG      ARG  28  40.947  15.808   7.189
  222    HG3  ARG  28           2HG      ARG  28  39.492  16.747   6.849
  223    HD2  ARG  28           1HD      ARG  28  39.043  17.108   9.077
  224    HD3  ARG  28           2HD      ARG  28  39.911  15.663   9.594
  225    HE   ARG  28           HE       ARG  28  41.867  17.254   8.600
  226   HH11  ARG  28          1HH1      ARG  28  39.349  17.721  10.959
  227   HH12  ARG  28          2HH1      ARG  28  40.254  18.868  11.889
  228   HH21  ARG  28          1HH2      ARG  28  43.068  18.764   9.817
  229   HH22  ARG  28          2HH2      ARG  28  42.368  19.462  11.238
  Start of MODEL    9
    1    H1   ASP   1           H        ASP   1   2.258  -5.594   6.100
    2    HA   ASP   1           HA       ASP   1   0.381  -5.212   3.859
    3    HB2  ASP   1           1HB      ASP   1   2.075  -3.299   5.157
    4    HB3  ASP   1           2HB      ASP   1   2.626  -3.519   3.498
    5    H    ILE   2           H        ILE   2   1.522  -5.159   1.704
    6    HA   ILE   2           HA       ILE   2   3.027  -7.558   1.401
    7    HB   ILE   2           HB       ILE   2   2.660  -5.417  -0.690
    8   HG12  ILE   2          1HG1      ILE   2   0.797  -7.686   0.042
    9   HG13  ILE   2          2HG1      ILE   2   0.479  -5.972   0.284
   10   HG21  ILE   2          1HG2      ILE   2   2.574  -8.230  -1.463
   11   HG22  ILE   2          2HG2      ILE   2   3.476  -6.888  -2.164
   12   HG23  ILE   2          3HG2      ILE   2   4.112  -7.738  -0.755
   13   HD11  ILE   2          3HD1      ILE   2   0.563  -7.534  -2.261
   14   HD12  ILE   2          1HD1      ILE   2  -0.705  -6.479  -1.636
   15   HD13  ILE   2          2HD1      ILE   2   0.791  -5.785  -2.263
   16    H    GLY   3           H        GLY   3   5.165  -7.871   1.325
   17    HA2  GLY   3           1HA      GLY   3   7.407  -7.413   1.544
   18    HA3  GLY   3           2HA      GLY   3   7.108  -6.211   0.298
   19    H    MET   4           H        MET   4   5.703  -6.157   3.521
   20    HA   MET   4           HA       MET   4   6.314  -3.480   3.996
   21    HB2  MET   4           1HB      MET   4   4.894  -5.474   5.306
   22    HB3  MET   4           2HB      MET   4   6.169  -5.054   6.442
   23    HG2  MET   4           1HG      MET   4   4.544  -2.909   5.149
   24    HG3  MET   4           2HG      MET   4   3.905  -3.806   6.525
   25    HE1  MET   4           3HE      MET   4   5.560  -2.386   9.523
   26    HE2  MET   4           1HE      MET   4   3.999  -2.682   8.757
   27    HE3  MET   4           2HE      MET   4   5.190  -3.979   8.861
   28    H    GLY   5           H        GLY   5   8.293  -6.273   4.236
   29    HA2  GLY   5           1HA      GLY   5  10.149  -5.291   6.169
   30    HA3  GLY   5           2HA      GLY   5  10.416  -6.626   5.057
   31    H    VAL   6           H        VAL   6   9.564  -4.412   2.963
   32    HA   VAL   6           HA       VAL   6  12.316  -3.657   2.394
   33    HB   VAL   6           HB       VAL   6  10.607  -4.557   0.671
   34   HG11  VAL   6          1HG1      VAL   6   9.061  -3.124  -0.267
   35   HG12  VAL   6          2HG1      VAL   6   8.968  -2.683   1.439
   36   HG13  VAL   6          3HG1      VAL   6   9.888  -1.680   0.316
   37   HG21  VAL   6          3HG2      VAL   6  11.839  -3.608  -1.049
   38   HG22  VAL   6          1HG2      VAL   6  11.979  -2.054  -0.226
   39   HG23  VAL   6          2HG2      VAL   6  12.922  -3.437   0.333
   40    H    THR   7           H        THR   7   9.302  -2.208   3.394
   41    HA   THR   7           HA       THR   7  10.214   0.499   2.975
   42    HB   THR   7           HB       THR   7   7.872   0.196   2.729
   43    HG1  THR   7           HG1      THR   7   7.113   1.681   4.247
   44   HG21  THR   7          3HG2      THR   7   7.491  -1.847   3.896
   45   HG22  THR   7          1HG2      THR   7   6.475  -0.625   4.658
   46   HG23  THR   7          2HG2      THR   7   7.975  -1.132   5.434
   47    H    TYR   8           H        TYR   8   9.864  -1.734   5.677
   48    HA   TYR   8           HA       TYR   8  10.492   0.179   7.696
   49    HB2  TYR   8           1HB      TYR   8   9.241  -1.971   8.071
   50    HB3  TYR   8           2HB      TYR   8  10.765  -2.826   7.869
   51    HD1  TYR   8           HD1      TYR   8  12.535  -2.630   9.555
   52    HD2  TYR   8           HD2      TYR   8   8.764  -0.730  10.081
   53    HE1  TYR   8           HE1      TYR   8  13.033  -2.315  11.943
   54    HE2  TYR   8           HE2      TYR   8   9.253  -0.409  12.470
   55    HH   TYR   8           HH       TYR   8  11.029  -0.358  13.996
   56    H    LEU   9           H        LEU   9  12.353  -1.456   5.393
   57    HA   LEU   9           HA       LEU   9  14.813  -1.076   6.963
   58    HB2  LEU   9           1HB      LEU   9  13.920  -3.112   5.088
   59    HB3  LEU   9           2HB      LEU   9  15.511  -2.471   4.684
   60    HG   LEU   9           HG       LEU   9  14.727  -3.729   7.313
   61   HD11  LEU   9          1HD1      LEU   9  16.230  -4.732   4.918
   62   HD12  LEU   9          2HD1      LEU   9  14.872  -5.474   5.763
   63   HD13  LEU   9          3HD1      LEU   9  16.463  -5.427   6.522
   64   HD21  LEU   9          3HD2      LEU   9  16.386  -2.235   7.904
   65   HD22  LEU   9          1HD2      LEU   9  17.206  -2.365   6.348
   66   HD23  LEU   9          2HD2      LEU   9  17.319  -3.682   7.517
   67    H    ALA  10           H        ALA  10  13.121  -0.194   4.055
   68    HA   ALA  10           HA       ALA  10  15.427   1.364   3.121
   69    HB1  ALA  10           1HB      ALA  10  14.245  -0.182   1.542
   70    HB2  ALA  10           2HB      ALA  10  12.840   0.878   1.657
   71    HB3  ALA  10           3HB      ALA  10  14.357   1.491   0.997
   72    H    LEU  11           H        LEU  11  11.894   1.780   3.438
   73    HA   LEU  11           HA       LEU  11  12.024   4.615   3.303
   74    HB2  LEU  11           1HB      LEU  11   9.914   2.625   4.018
   75    HB3  LEU  11           2HB      LEU  11   9.643   4.338   4.333
   76    HG   LEU  11           HG       LEU  11  10.219   3.131   1.627
   77   HD11  LEU  11          1HD1      LEU  11   8.070   2.434   2.018
   78   HD12  LEU  11          2HD1      LEU  11   7.778   4.030   1.326
   79   HD13  LEU  11          3HD1      LEU  11   7.700   3.799   3.073
   80   HD21  LEU  11          3HD2      LEU  11  10.246   5.846   2.637
   81   HD22  LEU  11          1HD2      LEU  11   9.074   5.638   1.336
   82   HD23  LEU  11          2HD2      LEU  11  10.766   5.216   1.073
   83    H    LEU  12           H        LEU  12  12.771   2.440   5.757
   84    HA   LEU  12           HA       LEU  12  12.264   4.420   7.868
   85    HB2  LEU  12           1HB      LEU  12  11.980   1.612   7.752
   86    HB3  LEU  12           2HB      LEU  12  13.293   1.952   8.878
   87    HG   LEU  12           HG       LEU  12  11.156   1.720  10.033
   88   HD11  LEU  12          1HD1      LEU  12  12.220   3.094  11.428
   89   HD12  LEU  12          2HD1      LEU  12  11.212   4.374  10.754
   90   HD13  LEU  12          3HD1      LEU  12  12.831   4.097  10.112
   91   HD21  LEU  12          3HD2      LEU  12   9.921   2.718   7.954
   92   HD22  LEU  12          1HD2      LEU  12  10.168   4.248   8.795
   93   HD23  LEU  12          2HD2      LEU  12   9.267   2.948   9.576
   94    H    ALA  13           H        ALA  13  14.783   2.455   6.382
   95    HA   ALA  13           HA       ALA  13  16.808   3.823   8.011
   96    HB1  ALA  13           1HB      ALA  13  16.566   1.180   7.445
   97    HB2  ALA  13           2HB      ALA  13  17.700   1.696   6.196
   98    HB3  ALA  13           3HB      ALA  13  18.075   1.973   7.897
   99    H    ALA  14           H        ALA  14  16.468   2.711   4.633
  100    HA   ALA  14           HA       ALA  14  18.465   4.279   3.526
  101    HB1  ALA  14           1HB      ALA  14  17.000   2.403   2.487
  102    HB2  ALA  14           2HB      ALA  14  15.957   3.736   1.992
  103    HB3  ALA  14           3HB      ALA  14  17.636   3.683   1.453
  104    H    PHE  15           H        PHE  15  15.348   5.199   4.667
  105    HA   PHE  15           HA       PHE  15  14.993   7.554   3.135
  106    HB2  PHE  15           1HB      PHE  15  13.341   6.216   4.705
  107    HB3  PHE  15           2HB      PHE  15  13.923   7.350   5.919
  108    HD1  PHE  15           HD1      PHE  15  12.413   7.202   2.528
  109    HD2  PHE  15           HD2      PHE  15  12.984   9.464   6.088
  110    HE1  PHE  15           HE1      PHE  15  10.818   8.888   1.709
  111    HE2  PHE  15           HE2      PHE  15  11.390  11.152   5.276
  112    HZ   PHE  15           HZ       PHE  15  10.304  10.865   3.084
  113    H    LYS  16           H        LYS  16  16.883   6.800   5.939
  114    HA   LYS  16           HA       LYS  16  17.252   9.492   6.828
  115    HB2  LYS  16           1HB      LYS  16  18.617   6.882   7.435
  116    HB3  LYS  16           2HB      LYS  16  19.231   8.401   8.075
  117    HG2  LYS  16           1HG      LYS  16  17.814   8.219   9.761
  118    HG3  LYS  16           2HG      LYS  16  16.475   8.372   8.620
  119    HD2  LYS  16           1HD      LYS  16  15.937   6.351   9.520
  120    HD3  LYS  16           2HD      LYS  16  17.023   5.794   8.245
  121    HE2  LYS  16           1HE      LYS  16  18.142   4.747   9.870
  122    HE3  LYS  16           2HE      LYS  16  18.738   6.343  10.324
  123    HZ1  LYS  16           3HZ      LYS  16  17.382   6.443  12.115
  124    HZ2  LYS  16           1HZ      LYS  16  17.501   4.758  12.022
  125    HZ3  LYS  16           2HZ      LYS  16  16.144   5.546  11.392
  126    H    VAL  17           H        VAL  17  17.747  10.339   4.636
  127    HA   VAL  17           HA       VAL  17  20.610  10.018   4.005
  128    HB   VAL  17           HB       VAL  17  19.373  11.168   1.770
  129   HG11  VAL  17          1HG1      VAL  17  20.281   9.364   0.626
  130   HG12  VAL  17          2HG1      VAL  17  21.282   9.448   2.077
  131   HG13  VAL  17          3HG1      VAL  17  19.996   8.246   1.960
  132   HG21  VAL  17          3HG2      VAL  17  17.205  10.446   2.645
  133   HG22  VAL  17          1HG2      VAL  17  17.631   9.562   1.179
  134   HG23  VAL  17          2HG2      VAL  17  17.798   8.789   2.755
  135    H    ARG  18           H        ARG  18  18.125  12.149   4.947
  136    HA   ARG  18           HA       ARG  18  19.094  14.586   3.921
  137    HB2  ARG  18           1HB      ARG  18  16.905  14.670   4.731
  138    HB3  ARG  18           2HB      ARG  18  17.325  13.848   6.227
  139    HG2  ARG  18           1HG      ARG  18  18.674  16.416   5.858
  140    HG3  ARG  18           2HG      ARG  18  16.916  16.523   5.968
  141    HD2  ARG  18           1HD      ARG  18  17.265  14.907   8.006
  142    HD3  ARG  18           2HD      ARG  18  18.898  15.571   7.984
  143    HE   ARG  18           HE       ARG  18  18.067  17.571   8.752
  144   HH11  ARG  18          1HH1      ARG  18  15.440  15.531   7.724
  145   HH12  ARG  18          2HH1      ARG  18  14.211  16.559   8.385
  146   HH21  ARG  18          1HH2      ARG  18  16.459  18.932   9.627
  147   HH22  ARG  18          2HH2      ARG  18  14.792  18.493   9.467
  148    HA   PRO  19           HA       PRO  19  21.365  15.051   8.174
  149    HB2  PRO  19           1HB      PRO  19  21.650  12.795   9.658
  150    HB3  PRO  19           2HB      PRO  19  20.266  13.882   9.819
  151    HG2  PRO  19           1HG      PRO  19  20.484  11.303   8.315
  152    HG3  PRO  19           2HG      PRO  19  19.164  11.891   9.343
  153    HD2  PRO  19           1HD      PRO  19  19.073  12.020   6.640
  154    HD3  PRO  19           2HD      PRO  19  18.297  13.231   7.680
  155    H    THR  20           H        THR  20  21.735  12.557   5.897
  156    HA   THR  20           HA       THR  20  24.311  11.606   6.551
  157    HB   THR  20           HB       THR  20  22.992  11.754   3.834
  158    HG1  THR  20           HG1      THR  20  22.070  10.477   5.764
  159   HG21  THR  20          3HG2      THR  20  25.518  10.529   4.818
  160   HG22  THR  20          1HG2      THR  20  25.151  11.257   3.255
  161   HG23  THR  20          2HG2      THR  20  24.571   9.634   3.630
  162    H    PHE  21           H        PHE  21  23.203  14.508   5.032
  163    HA   PHE  21           HA       PHE  21  25.658  15.162   3.720
  164    HB2  PHE  21           1HB      PHE  21  23.068  16.130   3.633
  165    HB3  PHE  21           2HB      PHE  21  23.956  17.432   4.417
  166    HD1  PHE  21           HD1      PHE  21  25.974  18.389   3.258
  167    HD2  PHE  21           HD2      PHE  21  23.226  15.774   1.325
  168    HE1  PHE  21           HE1      PHE  21  26.796  19.150   1.067
  169    HE2  PHE  21           HE2      PHE  21  24.045  16.530  -0.868
  170    HZ   PHE  21           HZ       PHE  21  25.832  18.220  -1.000
  171    H    ALA  22           H        ALA  22  24.086  16.274   6.710
  172    HA   ALA  22           HA       ALA  22  26.313  17.908   7.477
  173    HB1  ALA  22           1HB      ALA  22  23.680  17.207   8.623
  174    HB2  ALA  22           2HB      ALA  22  24.935  17.703   9.759
  175    HB3  ALA  22           3HB      ALA  22  24.460  18.778   8.444
  176    H    ALA  23           H        ALA  23  25.182  14.666   8.232
  177    HA   ALA  23           HA       ALA  23  26.817  14.128  10.438
  178    HB1  ALA  23           1HB      ALA  23  25.860  12.186   8.338
  179    HB2  ALA  23           2HB      ALA  23  26.426  11.780   9.959
  180    HB3  ALA  23           3HB      ALA  23  24.939  12.705   9.750
  181    H    GLY  24           H        GLY  24  27.416  13.722   6.965
  182    HA2  GLY  24           1HA      GLY  24  30.252  13.197   7.615
  183    HA3  GLY  24           2HA      GLY  24  29.435  12.535   6.206
  184    H    LEU  25           H        LEU  25  28.849  15.814   7.195
  185    HA   LEU  25           HA       LEU  25  29.394  16.929   4.715
  186    HB2  LEU  25           1HB      LEU  25  29.081  19.006   5.698
  187    HB3  LEU  25           2HB      LEU  25  28.161  17.917   6.733
  188    HG   LEU  25           HG       LEU  25  30.495  17.946   8.067
  189   HD11  LEU  25          1HD1      LEU  25  31.585  19.492   6.561
  190   HD12  LEU  25          2HD1      LEU  25  31.320  20.263   8.124
  191   HD13  LEU  25          3HD1      LEU  25  30.272  20.653   6.760
  192   HD21  LEU  25          3HD2      LEU  25  29.284  20.118   9.157
  193   HD22  LEU  25          1HD2      LEU  25  28.804  18.447   9.455
  194   HD23  LEU  25          2HD2      LEU  25  27.956  19.406   8.241
  195    H    LEU  26           H        LEU  26  31.547  16.149   7.328
  196    HA   LEU  26           HA       LEU  26  33.726  17.783   6.610
  197    HB2  LEU  26           1HB      LEU  26  33.294  15.408   8.305
  198    HB3  LEU  26           2HB      LEU  26  34.944  15.663   7.742
  199    HG   LEU  26           HG       LEU  26  34.919  17.906   8.766
  200   HD11  LEU  26          1HD1      LEU  26  32.103  17.282   9.053
  201   HD12  LEU  26          2HD1      LEU  26  32.934  18.834   9.150
  202   HD13  LEU  26          3HD1      LEU  26  32.833  17.798  10.573
  203   HD21  LEU  26          3HD2      LEU  26  34.197  15.664  10.651
  204   HD22  LEU  26          1HD2      LEU  26  35.032  17.155  11.086
  205   HD23  LEU  26          2HD2      LEU  26  35.804  15.996  10.003
  206    H    LEU  27           H        LEU  27  32.502  14.821   5.306
  207    HA   LEU  27           HA       LEU  27  34.876  13.967   3.994
  208    HB2  LEU  27           1HB      LEU  27  32.405  12.887   4.453
  209    HB3  LEU  27           2HB      LEU  27  32.342  13.234   2.726
  210    HG   LEU  27           HG       LEU  27  33.036  10.975   2.983
  211   HD11  LEU  27          1HD1      LEU  27  35.179  10.978   1.880
  212   HD12  LEU  27          2HD1      LEU  27  35.495  12.626   2.424
  213   HD13  LEU  27          3HD1      LEU  27  34.202  12.312   1.267
  214   HD21  LEU  27          3HD2      LEU  27  35.483  10.977   4.268
  215   HD22  LEU  27          1HD2      LEU  27  33.956  10.390   4.925
  216   HD23  LEU  27          2HD2      LEU  27  34.484  12.039   5.261
  217    H    ARG  28           H        ARG  28  32.340  16.219   3.212
  218    HA   ARG  28           HA       ARG  28  33.184  16.444   0.439
  219    HB2  ARG  28           1HB      ARG  28  31.099  18.006   1.976
  220    HB3  ARG  28           2HB      ARG  28  31.364  18.076   0.239
  221    HG2  ARG  28           1HG      ARG  28  30.909  15.533   0.304
  222    HG3  ARG  28           2HG      ARG  28  30.193  15.873   1.881
  223    HD2  ARG  28           1HD      ARG  28  28.332  16.585   0.903
  224    HD3  ARG  28           2HD      ARG  28  29.245  17.804   0.016
  225    HE   ARG  28           HE       ARG  28  29.033  16.517  -1.852
  226   HH11  ARG  28          1HH1      ARG  28  28.531  14.505   0.944
  227   HH12  ARG  28          2HH1      ARG  28  28.098  13.105   0.020
  228   HH21  ARG  28          1HH2      ARG  28  28.464  14.681  -3.080
  229   HH22  ARG  28          2HH2      ARG  28  28.061  13.206  -2.269
  Start of MODEL   10
    1    H1   ASP   1           H        ASP   1   2.710  -6.443   5.109
    2    HA   ASP   1           HA       ASP   1   0.731  -6.319   2.946
    3    HB2  ASP   1           1HB      ASP   1   2.207  -4.323   4.130
    4    HB3  ASP   1           2HB      ASP   1   3.135  -4.662   2.672
    5    H    ILE   2           H        ILE   2   1.835  -6.090   0.698
    6    HA   ILE   2           HA       ILE   2   2.882  -8.529  -0.047
    7    HB   ILE   2           HB       ILE   2   1.948  -6.998  -1.680
    8   HG12  ILE   2          1HG1      ILE   2   4.832  -7.314  -2.468
    9   HG13  ILE   2          2HG1      ILE   2   3.802  -8.723  -2.241
   10   HG21  ILE   2          1HG2      ILE   2   4.433  -5.323  -1.414
   11   HG22  ILE   2          2HG2      ILE   2   2.986  -4.976  -2.360
   12   HG23  ILE   2          3HG2      ILE   2   2.916  -4.943  -0.598
   13   HD11  ILE   2          3HD1      ILE   2   3.528  -8.400  -4.468
   14   HD12  ILE   2          1HD1      ILE   2   2.220  -7.379  -3.871
   15   HD13  ILE   2          2HD1      ILE   2   3.753  -6.655  -4.358
   16    H    GLY   3           H        GLY   3   4.587  -5.611   0.957
   17    HA2  GLY   3           1HA      GLY   3   6.952  -7.181   1.521
   18    HA3  GLY   3           2HA      GLY   3   7.155  -6.004   0.232
   19    H    MET   4           H        MET   4   5.866  -6.190   3.552
   20    HA   MET   4           HA       MET   4   6.323  -3.417   4.054
   21    HB2  MET   4           1HB      MET   4   4.911  -5.486   5.296
   22    HB3  MET   4           2HB      MET   4   6.153  -5.030   6.454
   23    HG2  MET   4           1HG      MET   4   4.667  -2.819   5.188
   24    HG3  MET   4           2HG      MET   4   3.764  -3.843   6.302
   25    HE1  MET   4           3HE      MET   4   4.221  -3.435   9.273
   26    HE2  MET   4           1HE      MET   4   4.977  -4.742   8.360
   27    HE3  MET   4           2HE      MET   4   5.947  -3.753   9.452
   28    H    GLY   5           H        GLY   5   8.272  -6.237   4.193
   29    HA2  GLY   5           1HA      GLY   5  10.129  -5.341   6.169
   30    HA3  GLY   5           2HA      GLY   5  10.382  -6.648   5.022
   31    H    VAL   6           H        VAL   6   9.606  -4.450   2.932
   32    HA   VAL   6           HA       VAL   6  12.362  -3.672   2.440
   33    HB   VAL   6           HB       VAL   6  10.126  -2.826   0.653
   34   HG11  VAL   6          1HG1      VAL   6  13.020  -3.493   0.421
   35   HG12  VAL   6          2HG1      VAL   6  11.983  -3.697  -0.993
   36   HG13  VAL   6          3HG1      VAL   6  12.123  -2.117  -0.222
   37   HG21  VAL   6          3HG2      VAL   6   9.366  -4.985   0.823
   38   HG22  VAL   6          1HG2      VAL   6  10.563  -5.166  -0.460
   39   HG23  VAL   6          2HG2      VAL   6  10.963  -5.635   1.193
   40    H    THR   7           H        THR   7   9.310  -2.223   3.341
   41    HA   THR   7           HA       THR   7  10.214   0.484   2.965
   42    HB   THR   7           HB       THR   7   7.860   0.082   2.719
   43    HG1  THR   7           HG1      THR   7   7.922   1.356   5.225
   44   HG21  THR   7          3HG2      THR   7   6.470  -0.662   4.628
   45   HG22  THR   7          1HG2      THR   7   7.941  -0.951   5.556
   46   HG23  THR   7          2HG2      THR   7   7.617  -1.894   4.102
   47    H    TYR   8           H        TYR   8   9.875  -1.756   5.663
   48    HA   TYR   8           HA       TYR   8  10.486   0.158   7.686
   49    HB2  TYR   8           1HB      TYR   8   9.247  -1.995   8.062
   50    HB3  TYR   8           2HB      TYR   8  10.772  -2.847   7.849
   51    HD1  TYR   8           HD1      TYR   8  12.550  -2.656   9.527
   52    HD2  TYR   8           HD2      TYR   8   8.779  -0.764  10.081
   53    HE1  TYR   8           HE1      TYR   8  13.060  -2.351  11.914
   54    HE2  TYR   8           HE2      TYR   8   9.279  -0.453  12.468
   55    HH   TYR   8           HH       TYR   8  10.815  -0.646  14.069
   56    H    LEU   9           H        LEU   9  12.362  -1.463   5.384
   57    HA   LEU   9           HA       LEU   9  14.816  -1.060   6.959
   58    HB2  LEU   9           1HB      LEU   9  13.945  -3.107   5.079
   59    HB3  LEU   9           2HB      LEU   9  15.540  -2.461   4.698
   60    HG   LEU   9           HG       LEU   9  14.722  -3.717   7.318
   61   HD11  LEU   9          1HD1      LEU   9  15.039  -5.612   6.176
   62   HD12  LEU   9          2HD1      LEU   9  16.753  -5.208   6.266
   63   HD13  LEU   9          3HD1      LEU   9  15.821  -4.784   4.829
   64   HD21  LEU   9          3HD2      LEU   9  17.172  -2.294   6.401
   65   HD22  LEU   9          1HD2      LEU   9  17.344  -3.671   7.489
   66   HD23  LEU   9          2HD2      LEU   9  16.378  -2.278   7.976
   67    H    ALA  10           H        ALA  10  13.114  -0.188   4.059
   68    HA   ALA  10           HA       ALA  10  15.414   1.367   3.106
   69    HB1  ALA  10           1HB      ALA  10  14.303   1.513   0.993
   70    HB2  ALA  10           2HB      ALA  10  14.245  -0.168   1.525
   71    HB3  ALA  10           3HB      ALA  10  12.815   0.853   1.671
   72    H    LEU  11           H        LEU  11  11.883   1.788   3.443
   73    HA   LEU  11           HA       LEU  11  12.020   4.624   3.311
   74    HB2  LEU  11           1HB      LEU  11   9.905   2.639   4.029
   75    HB3  LEU  11           2HB      LEU  11   9.640   4.353   4.341
   76    HG   LEU  11           HG       LEU  11  10.206   3.136   1.638
   77   HD11  LEU  11          1HD1      LEU  11   7.774   4.038   1.329
   78   HD12  LEU  11          2HD1      LEU  11   7.692   3.838   3.079
   79   HD13  LEU  11          3HD1      LEU  11   8.053   2.453   2.050
   80   HD21  LEU  11          3HD2      LEU  11   9.433   5.420   0.877
   81   HD22  LEU  11          1HD2      LEU  11  11.026   5.352   1.632
   82   HD23  LEU  11          2HD2      LEU  11   9.641   5.948   2.547
   83    H    LEU  12           H        LEU  12  12.764   2.441   5.760
   84    HA   LEU  12           HA       LEU  12  12.265   4.417   7.876
   85    HB2  LEU  12           1HB      LEU  12  11.977   1.609   7.754
   86    HB3  LEU  12           2HB      LEU  12  13.292   1.946   8.879
   87    HG   LEU  12           HG       LEU  12  11.470   3.669   9.819
   88   HD11  LEU  12          1HD1      LEU  12   9.335   3.221   9.338
   89   HD12  LEU  12          2HD1      LEU  12   9.590   1.477   9.392
   90   HD13  LEU  12          3HD1      LEU  12   9.976   2.379   7.926
   91   HD21  LEU  12          3HD2      LEU  12  11.934   0.771  10.411
   92   HD22  LEU  12          1HD2      LEU  12  10.767   1.709  11.344
   93   HD23  LEU  12          2HD2      LEU  12  12.463   2.194  11.311
   94    H    ALA  13           H        ALA  13  14.778   2.458   6.375
   95    HA   ALA  13           HA       ALA  13  16.809   3.817   8.005
   96    HB1  ALA  13           1HB      ALA  13  18.000   1.933   7.958
   97    HB2  ALA  13           2HB      ALA  13  16.545   1.161   7.327
   98    HB3  ALA  13           3HB      ALA  13  17.787   1.742   6.218
   99    H    ALA  14           H        ALA  14  16.462   2.712   4.626
  100    HA   ALA  14           HA       ALA  14  18.458   4.282   3.518
  101    HB1  ALA  14           1HB      ALA  14  15.949   3.744   1.986
  102    HB2  ALA  14           2HB      ALA  14  17.628   3.687   1.447
  103    HB3  ALA  14           3HB      ALA  14  16.989   2.407   2.479
  104    H    PHE  15           H        PHE  15  15.344   5.201   4.667
  105    HA   PHE  15           HA       PHE  15  14.987   7.558   3.139
  106    HB2  PHE  15           1HB      PHE  15  13.337   6.217   4.708
  107    HB3  PHE  15           2HB      PHE  15  13.920   7.350   5.923
  108    HD1  PHE  15           HD1      PHE  15  12.474   7.250   2.496
  109    HD2  PHE  15           HD2      PHE  15  12.913   9.418   6.133
  110    HE1  PHE  15           HE1      PHE  15  10.878   8.936   1.680
  111    HE2  PHE  15           HE2      PHE  15  11.317  11.106   5.323
  112    HZ   PHE  15           HZ       PHE  15  10.296  10.866   3.095
  113    H    LYS  16           H        LYS  16  16.881   6.798   5.938
  114    HA   LYS  16           HA       LYS  16  17.250   9.489   6.832
  115    HB2  LYS  16           1HB      LYS  16  18.616   6.876   7.432
  116    HB3  LYS  16           2HB      LYS  16  19.232   8.394   8.073
  117    HG2  LYS  16           1HG      LYS  16  17.819   8.210   9.762
  118    HG3  LYS  16           2HG      LYS  16  16.478   8.366   8.625
  119    HD2  LYS  16           1HD      LYS  16  15.938   6.344   9.519
  120    HD3  LYS  16           2HD      LYS  16  17.024   5.788   8.243
  121    HE2  LYS  16           1HE      LYS  16  18.243   6.497  10.849
  122    HE3  LYS  16           2HE      LYS  16  17.272   5.026  10.789
  123    HZ1  LYS  16           3HZ      LYS  16  19.498   4.432  10.305
  124    HZ2  LYS  16           1HZ      LYS  16  19.667   5.670   9.164
  125    HZ3  LYS  16           2HZ      LYS  16  18.653   4.354   8.842
  126    H    VAL  17           H        VAL  17  17.742  10.338   4.640
  127    HA   VAL  17           HA       VAL  17  20.604  10.020   4.005
  128    HB   VAL  17           HB       VAL  17  19.364  11.172   1.773
  129   HG11  VAL  17          1HG1      VAL  17  21.272   9.445   2.085
  130   HG12  VAL  17          2HG1      VAL  17  19.981   8.249   1.947
  131   HG13  VAL  17          3HG1      VAL  17  20.282   9.380   0.627
  132   HG21  VAL  17          3HG2      VAL  17  17.620   9.568   1.182
  133   HG22  VAL  17          1HG2      VAL  17  17.793   8.791   2.756
  134   HG23  VAL  17          2HG2      VAL  17  17.197  10.448   2.651
  135    H    ARG  18           H        ARG  18  18.118  12.148   4.953
  136    HA   ARG  18           HA       ARG  18  19.083  14.587   3.928
  137    HB2  ARG  18           1HB      ARG  18  16.895  14.668   4.740
  138    HB3  ARG  18           2HB      ARG  18  17.317  13.844   6.235
  139    HG2  ARG  18           1HG      ARG  18  18.663  16.415   5.867
  140    HG3  ARG  18           2HG      ARG  18  16.905  16.519   5.980
  141    HD2  ARG  18           1HD      ARG  18  17.257  14.902   8.015
  142    HD3  ARG  18           2HD      ARG  18  18.890  15.567   7.992
  143    HE   ARG  18           HE       ARG  18  16.491  16.899   8.831
  144   HH11  ARG  18          1HH1      ARG  18  19.699  17.341   7.552
  145   HH12  ARG  18          2HH1      ARG  18  19.858  18.957   8.156
  146   HH21  ARG  18          1HH2      ARG  18  16.689  19.025   9.632
  147   HH22  ARG  18          2HH2      ARG  18  18.145  19.914   9.340
  148    HA   PRO  19           HA       PRO  19  21.357  15.050   8.181
  149    HB2  PRO  19           1HB      PRO  19  21.646  12.792   9.661
  150    HB3  PRO  19           2HB      PRO  19  20.260  13.878   9.825
  151    HG2  PRO  19           1HG      PRO  19  20.480  11.301   8.317
  152    HG3  PRO  19           2HG      PRO  19  19.160  11.885   9.347
  153    HD2  PRO  19           1HD      PRO  19  19.067  12.018   6.644
  154    HD3  PRO  19           2HD      PRO  19  18.290  13.227   7.687
  155    H    THR  20           H        THR  20  21.728  12.557   5.902
  156    HA   THR  20           HA       THR  20  24.305  11.607   6.552
  157    HB   THR  20           HB       THR  20  22.983  11.760   3.836
  158    HG1  THR  20           HG1      THR  20  23.007   9.761   5.864
  159   HG21  THR  20          3HG2      THR  20  25.371  10.210   4.833
  160   HG22  THR  20          1HG2      THR  20  25.326  11.397   3.530
  161   HG23  THR  20          2HG2      THR  20  24.523   9.839   3.332
  162    H    PHE  21           H        PHE  21  23.196  14.516   5.050
  163    HA   PHE  21           HA       PHE  21  25.649  15.174   3.734
  164    HB2  PHE  21           1HB      PHE  21  23.059  16.142   3.652
  165    HB3  PHE  21           2HB      PHE  21  23.947  17.440   4.443
  166    HD1  PHE  21           HD1      PHE  21  26.428  17.694   3.212
  167    HD2  PHE  21           HD2      PHE  21  22.754  16.507   1.419
  168    HE1  PHE  21           HE1      PHE  21  27.250  18.465   1.025
  169    HE2  PHE  21           HE2      PHE  21  23.571  17.276  -0.771
  170    HZ   PHE  21           HZ       PHE  21  25.822  18.255  -0.970
  171    H    ALA  22           H        ALA  22  24.081  16.280   6.728
  172    HA   ALA  22           HA       ALA  22  26.314  17.905   7.498
  173    HB1  ALA  22           1HB      ALA  22  23.970  16.979   9.154
  174    HB2  ALA  22           2HB      ALA  22  25.090  18.281   9.558
  175    HB3  ALA  22           3HB      ALA  22  24.013  18.443   8.171
  176    H    ALA  23           H        ALA  23  25.186  14.659   8.217
  177    HA   ALA  23           HA       ALA  23  26.778  14.096  10.442
  178    HB1  ALA  23           1HB      ALA  23  24.994  12.619   9.818
  179    HB2  ALA  23           2HB      ALA  23  25.768  12.263   8.273
  180    HB3  ALA  23           3HB      ALA  23  26.509  11.716   9.777
  181    H    GLY  24           H        GLY  24  27.457  13.646   6.979
  182    HA2  GLY  24           1HA      GLY  24  30.293  13.228   7.696
  183    HA3  GLY  24           2HA      GLY  24  29.525  12.517   6.284
  184    H    LEU  25           H        LEU  25  28.833  15.797   7.199
  185    HA   LEU  25           HA       LEU  25  29.350  16.902   4.725
  186    HB2  LEU  25           1HB      LEU  25  29.061  18.986   5.700
  187    HB3  LEU  25           2HB      LEU  25  28.165  17.903   6.763
  188    HG   LEU  25           HG       LEU  25  30.491  17.930   8.073
  189   HD11  LEU  25          1HD1      LEU  25  30.910  20.607   7.919
  190   HD12  LEU  25          2HD1      LEU  25  30.593  20.210   6.231
  191   HD13  LEU  25          3HD1      LEU  25  31.889  19.389   7.101
  192   HD21  LEU  25          3HD2      LEU  25  28.798  20.327   8.505
  193   HD22  LEU  25          1HD2      LEU  25  29.387  19.129   9.658
  194   HD23  LEU  25          2HD2      LEU  25  28.022  18.746   8.609
  195    H    LEU  26           H        LEU  26  31.563  16.199   7.325
  196    HA   LEU  26           HA       LEU  26  33.721  17.810   6.505
  197    HB2  LEU  26           1HB      LEU  26  33.337  15.483   8.281
  198    HB3  LEU  26           2HB      LEU  26  34.975  15.743   7.683
  199    HG   LEU  26           HG       LEU  26  34.949  18.007   8.646
  200   HD11  LEU  26          1HD1      LEU  26  32.917  18.032  10.468
  201   HD12  LEU  26          2HD1      LEU  26  32.134  17.338   9.048
  202   HD13  LEU  26          3HD1      LEU  26  32.925  18.910   8.937
  203   HD21  LEU  26          3HD2      LEU  26  34.839  17.252  11.072
  204   HD22  LEU  26          1HD2      LEU  26  35.944  16.374  10.014
  205   HD23  LEU  26          2HD2      LEU  26  34.387  15.666  10.445
  206    H    LEU  27           H        LEU  27  33.722  14.260   6.310
  207    HA   LEU  27           HA       LEU  27  35.680  14.107   4.329
  208    HB2  LEU  27           1HB      LEU  27  33.514  12.057   4.652
  209    HB3  LEU  27           2HB      LEU  27  35.196  11.815   4.185
  210    HG   LEU  27           HG       LEU  27  35.404  12.861   6.724
  211   HD11  LEU  27          1HD1      LEU  27  32.874  12.516   6.830
  212   HD12  LEU  27          2HD1      LEU  27  33.847  11.848   8.141
  213   HD13  LEU  27          3HD1      LEU  27  33.238  10.790   6.867
  214   HD21  LEU  27          3HD2      LEU  27  36.820  11.138   6.454
  215   HD22  LEU  27          1HD2      LEU  27  35.707  10.254   5.409
  216   HD23  LEU  27          2HD2      LEU  27  35.516  10.183   7.161
  217    H    ARG  28           H        ARG  28  35.507  13.453   2.101
  218    HA   ARG  28           HA       ARG  28  34.772  13.738  -0.032
  219    HB2  ARG  28           1HB      ARG  28  32.975  12.164   1.053
  220    HB3  ARG  28           2HB      ARG  28  31.934  13.575   0.909
  221    HG2  ARG  28           1HG      ARG  28  32.024  13.558  -1.415
  222    HG3  ARG  28           2HG      ARG  28  33.470  12.547  -1.445
  223    HD2  ARG  28           1HD      ARG  28  32.280  10.615  -0.928
  224    HD3  ARG  28           2HD      ARG  28  30.910  11.518  -0.282
  225    HE   ARG  28           HE       ARG  28  31.219  12.086  -3.026
  226   HH11  ARG  28          1HH1      ARG  28  30.206   9.540  -0.879
  227   HH12  ARG  28          2HH1      ARG  28  29.116   8.830  -2.024
  228   HH21  ARG  28          1HH2      ARG  28  29.788  11.161  -4.542
  229   HH22  ARG  28          2HH2      ARG  28  28.880   9.753  -4.108