*HEADER    VIRAL PROTEIN                           26-JAN-16   2NB7              
*TITLE     SOLUTION STRUCTURE OF N-TERMINAL EXTRAMEMBRANE DOMAIN OF SH PROTEIN   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SMALL HYDROPHOBIC PROTEIN;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-14;                                         
*COMPND   5 SYNONYM: SMALL PROTEIN 1A;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN RESPIRATORY SYNCYTIAL VIRUS A2;           
*SOURCE   3 ORGANISM_COMMON: HRSV;                                               
*SOURCE   4 ORGANISM_TAXID: 11259;                                               
*SOURCE   5 STRAIN: A2;                                                          
*SOURCE   6 GENE: SH, 1A;                                                        
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PTBMALE                                    
*KEYWDS    BICELLES, SMALL HYDROPHOBIC PROTEIN, VIROPORIN, VIRAL PROTEIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.LI, J.TO, W.SURYA, J.TORRES                                         
*REVDAT   1   17-FEB-16 2NB7    0                                                


  5 SER  O      9 GLU  H    2.30
  6 ILE  O     10 PHE  H    2.30
  7 THR  O     11 SER  H    2.30
  8 ILE  O     12 SER  H    2.30
  9 GLU  O     13 LYS  H    2.30
 10 PHE  O     14 PHE  H    2.30 

  10   PHE  PHI    -115.3   -20.8
  10   PHE  PSI     -79.3    25.0
  11   SER  PHI     -85.0   -45.0
  11   SER  PSI     -61.3   -21.3
  12   SER  PHI     -99.7   -40.3
  12   SER  PSI     -72.3    -6.3
  13   LYS  PHI     -99.0   -47.4
  13   LYS  PSI     -51.0    -9.2

  1 MET H        7 THR H         4.43
  6 ILE QG2      7 THR H         4.06
 12 SER H       13 LYS H         4.57
 11 SER H       12 SER H         4.46
  9 GLU HA      12 SER H         4.10
 13 LYS H       14 PHE H         3.96
 10 PHE H       11 SER H         4.02
  9 GLU HA      11 SER H         5.02
 10 PHE QD      11 SER H         5.16
  3 ASN H        3 ASN HB3       3.82
  2 GLU HA       3 ASN H         3.12
  1 MET HB2      3 ASN H         4.73
  3 ASN H        3 ASN HB2       3.43
  3 ASN H        3 ASN HD21      4.94
  6 ILE H        7 THR QG2       5.50
  1 MET HA       2 GLU H         2.98
  2 GLU H        3 ASN H         3.64
  2 GLU H        2 GLU HB3       4.12
  2 GLU H        2 GLU HB2       4.12
 14 PHE H       14 PHE QD        5.50
  8 ILE HB      10 PHE H         5.50
 10 PHE H       10 PHE QD        5.43
  9 GLU HB2     10 PHE H         4.48
  9 GLU HB3     10 PHE H         4.48
  5 SER H        6 ILE H         2.84
  4 THR HA       5 SER H         3.01
  5 SER H        7 THR QG2       3.62
  5 SER H        5 SER QB        3.34
  5 SER H        7 THR H         3.92
  5 SER H        8 ILE H         4.19
  2 GLU H        2 GLU HA        2.40
  1 MET HB2      2 GLU H         4.53
  2 GLU H        2 GLU QG        3.48
  6 ILE HA       8 ILE H         4.64
  7 THR HB       8 ILE H         4.90
  8 ILE H        8 ILE HG13      4.34
  6 ILE HB       8 ILE H         4.75
  8 ILE H        9 GLU H         4.16
  3 ASN HB2      3 ASN HD21      3.70
  3 ASN HA       3 ASN HD21      4.46
  4 THR H        4 THR HB        3.44
  3 ASN H        4 THR H         4.45
  3 ASN HB3      4 THR H         4.03
  3 ASN HB2      4 THR H         4.00
  3 ASN HA       4 THR H         3.07
  1 MET H        1 MET HB2       3.18
  1 MET H        2 GLU H         2.40
  8 ILE HB       9 GLU H         4.04
  6 ILE HA       9 GLU H         3.96
  9 GLU H        9 GLU HG2       4.54
  8 ILE HG12     9 GLU H         5.10
  7 THR H        7 THR HB        2.93
  6 ILE H        7 THR H         3.46
  3 ASN H        3 ASN HD22      4.94
  3 ASN HB2      3 ASN HD22      3.70
  9 GLU H        9 GLU HG3       4.54
  6 ILE H        6 ILE HG12      4.33
  8 ILE HB      12 SER H         4.88
  8 ILE H        8 ILE HB        3.74
  2 GLU HA       3 ASN HB2       5.42
  1 MET HA       2 GLU QG        4.17
  6 ILE H        6 ILE HG13      4.33
  9 GLU HA       9 GLU HG3       3.84
 13 LYS H       13 LYS QE        5.24
 13 LYS QD      13 LYS QE        2.45
 13 LYS HA      13 LYS QE        4.59
 13 LYS HG3     13 LYS QE        3.87
 13 LYS HG2     13 LYS QE        3.87
  7 THR HA       9 GLU H         5.50
  7 THR HA      11 SER H         5.50
  7 THR HA       7 THR HB        2.55
  1 MET H        7 THR HA        5.17
  7 THR HA      10 PHE H         5.39
  7 THR HA       7 THR QG2       3.74
  6 ILE HA       6 ILE QD1       3.96
  6 ILE H        6 ILE QD1       4.05
  6 ILE HB       6 ILE QD1       3.49
  4 THR HB       5 SER H         4.74
  5 SER QB       8 ILE QD1       4.25
  6 ILE HA      10 PHE H         4.50
  3 ASN HB2      5 SER H         4.13
  7 THR HA      10 PHE HB2       4.70
 10 PHE H       10 PHE HB2       3.93
  6 ILE QG2      6 ILE HG12      3.36
  6 ILE QG2      6 ILE HG13      3.36
  6 ILE QG2      6 ILE QD1       2.40
  6 ILE HA       6 ILE QG2       3.23
  6 ILE H        6 ILE QG2       3.96
  8 ILE HB       8 ILE QD1       2.91
  8 ILE HA       8 ILE QD1       3.91
  8 ILE H        8 ILE QD1       3.93
  4 THR QG2      8 ILE QD1       5.50
  7 THR QG2      8 ILE QD1       5.50
  8 ILE QD1      9 GLU H         3.65
  8 ILE QD1      9 GLU HB2       4.30
  8 ILE QD1      9 GLU HB3       4.30
  9 GLU HA      10 PHE H         3.54
  2 GLU HA       2 GLU QG        3.76
  8 ILE HA      10 PHE H         4.71
  8 ILE HA      11 SER H         4.01
  8 ILE HA      12 SER H         3.96
 13 LYS H       13 LYS QD        4.57
 13 LYS HA      13 LYS QD        3.98
  2 GLU HB3      3 ASN H         4.52
  4 THR HA       4 THR HB        2.55
  3 ASN HB3      5 SER H         3.79
  5 SER HA       8 ILE H         5.35
  8 ILE HA       8 ILE QG2       3.05
  5 SER H        8 ILE QG2       3.33
  8 ILE H        8 ILE QG2       3.84
  8 ILE QG2      8 ILE HG13      3.01
  9 GLU HA       9 GLU HG2       3.84
  8 ILE QG2      8 ILE HG12      3.01
  8 ILE H        8 ILE HG12      4.34
  8 ILE HG13     9 GLU H         5.10
  2 GLU HB2      3 ASN H         4.52
 13 LYS H       13 LYS HG3       4.97
  4 THR QG2      5 SER QB        3.74
  7 THR H        7 THR QG2       3.70
  7 THR QG2      8 ILE H         3.98
  3 ASN HB3      4 THR HB        5.21
 13 LYS H       13 LYS HG2       4.97
  7 THR QG2      8 ILE QG2       2.88
  4 THR HA       4 THR QG2       3.47
  4 THR HA       7 THR QG2       3.64
  4 THR H        4 THR QG2       3.54
 10 PHE HA      12 SER H         4.25
 10 PHE HA      10 PHE QD        4.16
  1 MET H        6 ILE HB        5.50
  6 ILE H        6 ILE HB        2.81
  6 ILE HB       7 THR H         2.60
 14 PHE HA      14 PHE QD        3.85
 11 SER H       11 SER HB2       4.19
  7 THR HA      10 PHE HB3       4.70
 10 PHE H       10 PHE HB3       3.93
 11 SER H       11 SER HB3       4.19
  3 ASN HA       3 ASN HD22      4.46
  1 MET H        1 MET QG        3.96
  2 GLU H        2 GLU QB        3.47
  3 ASN H        3 ASN QD2       4.25
  3 ASN HA       3 ASN QD2       3.79
  3 ASN HB2      3 ASN QD2       3.12
  3 ASN HB3      3 ASN QD2       3.44
  6 ILE H        6 ILE QG1       3.80
  6 ILE HA       9 GLU QB        3.86
  6 ILE QG2      6 ILE QG1       2.62
  6 ILE QG1      7 THR H         5.34
  7 THR HA      10 PHE QB        4.11
  7 THR QG2     11 SER QB        4.37
  8 ILE H        8 ILE QG1       3.78
  8 ILE HA       8 ILE QG1       3.70
  8 ILE HA       9 GLU QB        5.34
  8 ILE HA      11 SER QB        3.18
  8 ILE HB      11 SER QB        4.94
  8 ILE HB      12 SER QB        5.34
  8 ILE QG2      8 ILE QG1       2.44
  8 ILE QG2     11 SER QB        4.38
  8 ILE QG1      9 GLU H         4.26
  8 ILE QD1      9 GLU QB        3.62
  9 GLU H        9 GLU QB        3.37
  9 GLU H        9 GLU QG        3.95
  9 GLU HA      12 SER QB        3.67
  9 GLU QB       9 GLU QG        2.30
  9 GLU QB      10 PHE H         3.77
 10 PHE H       10 PHE QB        3.44
 10 PHE H       11 SER QB        5.34
 10 PHE HA      13 LYS QB        4.76
 10 PHE HA      13 LYS QG        4.52
 10 PHE QB      11 SER H         4.15
 10 PHE QB      11 SER HA        4.91
 11 SER H       11 SER QB        3.44
 11 SER QB      12 SER H         4.37
 13 LYS H       13 LYS QB        3.39
 13 LYS H       14 PHE QB        5.34
 13 LYS HA      13 LYS QG        3.69
 13 LYS HA      14 PHE QB        4.96
 13 LYS QB      13 LYS QG        2.36
 13 LYS QB      13 LYS QD        2.39
 13 LYS QB      13 LYS QE        3.10
 13 LYS QB      14 PHE QB        4.84
 13 LYS QG      13 LYS QE        3.37

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   2.136   0.237   0.368
    2    HA   MET   1           HA       MET   1   1.884  -0.530  -2.459
    3    HB2  MET   1           HB2      MET   1   3.748   1.510  -1.259
    4    HB3  MET   1           HB3      MET   1   4.067   0.750  -2.812
    5    HG2  MET   1           HG2      MET   1   1.871   1.591  -3.608
    6    HG3  MET   1           HG3      MET   1   1.703   2.459  -2.084
    7    HE1  MET   1           HE1      MET   1   2.041   4.966  -4.780
    8    HE2  MET   1           HE2      MET   1   2.838   3.763  -5.793
    9    HE3  MET   1           HE3      MET   1   1.407   3.321  -4.861
   10    H    GLU   2           H        GLU   2   2.258  -2.104  -0.009
   11    HA   GLU   2           HA       GLU   2   3.474  -3.879   0.729
   12    HB2  GLU   2           HB2      GLU   2   4.953  -3.760  -1.895
   13    HB3  GLU   2           HB3      GLU   2   4.676  -5.165  -0.874
   14    HG2  GLU   2           HG2      GLU   2   2.175  -4.712  -1.339
   15    HG3  GLU   2           HG3      GLU   2   2.774  -3.746  -2.687
   16    H    ASN   3           H        ASN   3   4.402  -1.240   1.347
   17    HA   ASN   3           HA       ASN   3   7.246  -1.843   1.783
   18    HB2  ASN   3           HB2      ASN   3   6.031   0.731   0.800
   19    HB3  ASN   3           HB3      ASN   3   7.592   0.705   1.616
   20   HD21  ASN   3          HD21      ASN   3   6.064   0.542  -1.313
   21   HD22  ASN   3          HD22      ASN   3   7.343  -0.139  -2.255
   22    H    THR   4           H        THR   4   8.050   0.059   3.411
   23    HA   THR   4           HA       THR   4   6.067   0.291   5.566
   24    HB   THR   4           HB       THR   4   7.460  -1.645   6.110
   25    HG1  THR   4           HG1      THR   4   8.227   0.559   7.741
   26   HG21  THR   4          HG21      THR   4   9.939  -0.574   6.769
   27   HG22  THR   4          HG22      THR   4   9.578   0.103   5.181
   28   HG23  THR   4          HG23      THR   4   9.583  -1.645   5.415
   29    H    SER   5           H        SER   5   6.676   2.347   3.856
   30    HA   SER   5           HA       SER   5   7.996   4.215   5.678
   31    HB2  SER   5           HB2      SER   5   9.207   5.261   3.752
   32    HB3  SER   5           HB3      SER   5   9.770   3.636   4.143
   33    HG   SER   5           HG       SER   5   8.701   2.845   2.379
   34    H    ILE   6           H        ILE   6   6.370   3.985   2.514
   35    HA   ILE   6           HA       ILE   6   5.165   6.590   2.855
   36    HB   ILE   6           HB       ILE   6   4.565   4.561   0.704
   37   HG12  ILE   6          HG12      ILE   6   6.644   6.760   0.702
   38   HG13  ILE   6          HG13      ILE   6   6.985   5.036   0.806
   39   HG21  ILE   6          HG21      ILE   6   4.250   7.559   0.788
   40   HG22  ILE   6          HG22      ILE   6   3.879   6.520  -0.587
   41   HG23  ILE   6          HG23      ILE   6   2.947   6.376   0.903
   42   HD11  ILE   6          HD11      ILE   6   5.510   5.101  -1.444
   43   HD12  ILE   6          HD12      ILE   6   6.273   6.690  -1.511
   44   HD13  ILE   6          HD13      ILE   6   7.268   5.237  -1.407
   45    H    THR   7           H        THR   7   4.025   3.228   2.663
   46    HA   THR   7           HA       THR   7   1.294   3.792   3.049
   47    HB   THR   7           HB       THR   7   2.183   1.619   2.204
   48    HG1  THR   7           HG1      THR   7   0.042   1.717   2.963
   49   HG21  THR   7          HG21      THR   7   4.004   1.368   3.854
   50   HG22  THR   7          HG22      THR   7   2.961  -0.053   3.787
   51   HG23  THR   7          HG23      THR   7   2.801   1.097   5.114
   52    H    ILE   8           H        ILE   8   3.957   3.496   5.267
   53    HA   ILE   8           HA       ILE   8   2.229   3.327   7.593
   54    HB   ILE   8           HB       ILE   8   4.284   3.313   8.906
   55   HG12  ILE   8          HG12      ILE   8   6.415   3.082   7.280
   56   HG13  ILE   8          HG13      ILE   8   5.447   4.197   6.322
   57   HG21  ILE   8          HG21      ILE   8   4.932   1.168   8.363
   58   HG22  ILE   8          HG22      ILE   8   3.364   1.281   7.563
   59   HG23  ILE   8          HG23      ILE   8   4.847   1.468   6.627
   60   HD11  ILE   8          HD11      ILE   8   5.273   5.386   8.718
   61   HD12  ILE   8          HD12      ILE   8   6.851   4.613   8.871
   62   HD13  ILE   8          HD13      ILE   8   6.542   5.731   7.543
   63    H    GLU   9           H        GLU   9   4.143   5.708   5.879
   64    HA   GLU   9           HA       GLU   9   4.164   7.717   7.851
   65    HB2  GLU   9           HB2      GLU   9   4.680   7.558   4.950
   66    HB3  GLU   9           HB3      GLU   9   4.192   9.142   5.537
   67    HG2  GLU   9           HG2      GLU   9   6.021   9.177   7.102
   68    HG3  GLU   9           HG3      GLU   9   6.473   7.532   6.660
   69    H    PHE  10           H        PHE  10   1.789   6.788   5.448
   70    HA   PHE  10           HA       PHE  10   0.115   9.092   6.025
   71    HB2  PHE  10           HB2      PHE  10   0.296   8.239   3.711
   72    HB3  PHE  10           HB3      PHE  10  -0.410   6.712   4.232
   73    HD1  PHE  10           HD1      PHE  10  -2.529   6.488   3.390
   74    HD2  PHE  10           HD2      PHE  10  -1.287  10.284   4.860
   75    HE1  PHE  10           HE1      PHE  10  -4.780   7.385   2.965
   76    HE2  PHE  10           HE2      PHE  10  -3.537  11.187   4.439
   77    HZ   PHE  10           HZ       PHE  10  -5.287   9.737   3.489
   78    H    SER  11           H        SER  11  -0.041   5.561   6.372
   79    HA   SER  11           HA       SER  11  -2.554   5.412   7.585
   80    HB2  SER  11           HB2      SER  11  -1.165   3.487   6.693
   81    HB3  SER  11           HB3      SER  11  -0.236   3.569   8.189
   82    HG   SER  11           HG       SER  11  -1.761   2.204   8.778
   83    H    SER  12           H        SER  12   0.532   6.352   8.851
   84    HA   SER  12           HA       SER  12  -0.370   6.164  11.614
   85    HB2  SER  12           HB2      SER  12   2.258   7.074  10.418
   86    HB3  SER  12           HB3      SER  12   1.925   6.989  12.148
   87    HG   SER  12           HG       SER  12   2.996   5.111  11.105
   88    H    LYS  13           H        LYS  13   0.843   8.693   9.417
   89    HA   LYS  13           HA       LYS  13   0.438  10.886  11.067
   90    HB2  LYS  13           HB2      LYS  13   1.658  10.974   8.929
   91    HB3  LYS  13           HB3      LYS  13   0.144  10.762   8.059
   92    HG2  LYS  13           HG2      LYS  13   0.376  13.023   7.920
   93    HG3  LYS  13           HG3      LYS  13  -0.555  12.904   9.415
   94    HD2  LYS  13           HD2      LYS  13   1.151  14.375   9.982
   95    HD3  LYS  13           HD3      LYS  13   1.757  12.825  10.572
   96    HE2  LYS  13           HE2      LYS  13   3.578  13.801   9.462
   97    HE3  LYS  13           HE3      LYS  13   2.937  12.619   8.323
   98    HZ1  LYS  13           HZ1      LYS  13   1.900  15.341   8.148
   99    HZ2  LYS  13           HZ2      LYS  13   2.215  14.223   6.919
  100    HZ3  LYS  13           HZ3      LYS  13   3.487  15.089   7.621
  101    H    PHE  14           H        PHE  14  -1.816   9.318   8.829
  102    HA   PHE  14           HA       PHE  14  -3.994  10.859  10.082
  103    HB2  PHE  14           HB2      PHE  14  -3.603  11.473   7.704
  104    HB3  PHE  14           HB3      PHE  14  -3.922   9.802   7.248
  105    HD1  PHE  14           HD1      PHE  14  -6.116   9.018   6.965
  106    HD2  PHE  14           HD2      PHE  14  -5.436  12.817   8.760
  107    HE1  PHE  14           HE1      PHE  14  -8.520   9.518   6.811
  108    HE2  PHE  14           HE2      PHE  14  -7.839  13.322   8.609
  109    HZ   PHE  14           HZ       PHE  14  -9.384  11.672   7.634
  Start of MODEL    2
    1    H    MET   1           H        MET   1   1.860  -0.003   0.900
    2    HA   MET   1           HA       MET   1   1.476  -0.267  -2.003
    3    HB2  MET   1           HB2      MET   1   3.194   1.727  -0.537
    4    HB3  MET   1           HB3      MET   1   3.488   1.300  -2.218
    5    HG2  MET   1           HG2      MET   1   0.981   1.908  -2.530
    6    HG3  MET   1           HG3      MET   1   1.197   2.779  -1.014
    7    HE1  MET   1           HE1      MET   1   2.241   2.690  -4.898
    8    HE2  MET   1           HE2      MET   1   0.686   3.304  -4.337
    9    HE3  MET   1           HE3      MET   1   1.879   4.413  -5.015
   10    H    GLU   2           H        GLU   2   2.186  -2.221   0.057
   11    HA   GLU   2           HA       GLU   2   3.654  -3.923   0.413
   12    HB2  GLU   2           HB2      GLU   2   4.816  -3.219  -2.280
   13    HB3  GLU   2           HB3      GLU   2   4.818  -4.787  -1.485
   14    HG2  GLU   2           HG2      GLU   2   3.148  -5.085  -3.009
   15    HG3  GLU   2           HG3      GLU   2   2.221  -4.525  -1.618
   16    H    ASN   3           H        ASN   3   4.386  -1.371   1.428
   17    HA   ASN   3           HA       ASN   3   7.276  -1.769   1.617
   18    HB2  ASN   3           HB2      ASN   3   5.902   0.685   0.626
   19    HB3  ASN   3           HB3      ASN   3   7.320   0.892   1.650
   20   HD21  ASN   3          HD21      ASN   3   6.165  -0.712  -1.270
   21   HD22  ASN   3          HD22      ASN   3   7.686  -0.706  -2.090
   22    H    THR   4           H        THR   4   8.099  -0.019   3.341
   23    HA   THR   4           HA       THR   4   6.169   0.103   5.552
   24    HB   THR   4           HB       THR   4   7.546  -1.881   5.944
   25    HG1  THR   4           HG1      THR   4   8.550   0.039   7.746
   26   HG21  THR   4          HG21      THR   4   9.676  -1.903   5.287
   27   HG22  THR   4          HG22      THR   4  10.053  -0.789   6.602
   28   HG23  THR   4          HG23      THR   4   9.646  -0.163   5.004
   29    H    SER   5           H        SER   5   6.779   2.249   3.950
   30    HA   SER   5           HA       SER   5   8.069   4.016   5.871
   31    HB2  SER   5           HB2      SER   5   9.999   3.842   4.653
   32    HB3  SER   5           HB3      SER   5   9.152   3.378   3.177
   33    HG   SER   5           HG       SER   5   9.805   5.892   4.138
   34    H    ILE   6           H        ILE   6   6.653   3.904   2.602
   35    HA   ILE   6           HA       ILE   6   5.501   6.532   2.911
   36    HB   ILE   6           HB       ILE   6   4.950   4.542   0.712
   37   HG12  ILE   6          HG12      ILE   6   7.363   4.897   0.889
   38   HG13  ILE   6          HG13      ILE   6   6.732   5.686  -0.553
   39   HG21  ILE   6          HG21      ILE   6   4.092   7.242   1.280
   40   HG22  ILE   6          HG22      ILE   6   4.911   7.138  -0.277
   41   HG23  ILE   6          HG23      ILE   6   3.516   6.111   0.056
   42   HD11  ILE   6          HD11      ILE   6   8.153   6.805   1.683
   43   HD12  ILE   6          HD12      ILE   6   7.780   7.516   0.112
   44   HD13  ILE   6          HD13      ILE   6   6.614   7.629   1.430
   45    H    THR   7           H        THR   7   4.247   3.219   2.573
   46    HA   THR   7           HA       THR   7   1.528   3.867   2.838
   47    HB   THR   7           HB       THR   7   2.349   1.680   2.005
   48    HG1  THR   7           HG1      THR   7   0.232   1.649   2.618
   49   HG21  THR   7          HG21      THR   7   2.870   1.043   4.909
   50   HG22  THR   7          HG22      THR   7   4.131   1.400   3.728
   51   HG23  THR   7          HG23      THR   7   3.109  -0.023   3.525
   52    H    ILE   8           H        ILE   8   4.041   3.320   5.210
   53    HA   ILE   8           HA       ILE   8   2.196   3.212   7.430
   54    HB   ILE   8           HB       ILE   8   4.191   3.157   8.847
   55   HG12  ILE   8          HG12      ILE   8   6.370   2.854   7.265
   56   HG13  ILE   8          HG13      ILE   8   5.474   4.050   6.335
   57   HG21  ILE   8          HG21      ILE   8   4.735   0.988   8.365
   58   HG22  ILE   8          HG22      ILE   8   3.275   1.163   7.393
   59   HG23  ILE   8          HG23      ILE   8   4.860   1.288   6.631
   60   HD11  ILE   8          HD11      ILE   8   5.969   5.676   7.767
   61   HD12  ILE   8          HD12      ILE   8   5.595   4.675   9.171
   62   HD13  ILE   8          HD13      ILE   8   7.182   4.569   8.409
   63    H    GLU   9           H        GLU   9   4.264   5.584   5.882
   64    HA   GLU   9           HA       GLU   9   4.220   7.556   7.880
   65    HB2  GLU   9           HB2      GLU   9   4.863   7.435   5.007
   66    HB3  GLU   9           HB3      GLU   9   4.355   9.017   5.583
   67    HG2  GLU   9           HG2      GLU   9   6.564   7.391   6.819
   68    HG3  GLU   9           HG3      GLU   9   6.806   8.660   5.619
   69    H    PHE  10           H        PHE  10   1.943   6.744   5.336
   70    HA   PHE  10           HA       PHE  10   0.299   9.069   5.820
   71    HB2  PHE  10           HB2      PHE  10   0.558   7.930   3.570
   72    HB3  PHE  10           HB3      PHE  10  -0.429   6.621   4.210
   73    HD1  PHE  10           HD1      PHE  10  -2.738   7.304   5.180
   74    HD2  PHE  10           HD2      PHE  10  -0.455   9.712   2.515
   75    HE1  PHE  10           HE1      PHE  10  -4.776   8.528   4.546
   76    HE2  PHE  10           HE2      PHE  10  -2.488  10.941   1.877
   77    HZ   PHE  10           HZ       PHE  10  -4.653  10.350   2.893
   78    H    SER  11           H        SER  11   0.061   5.574   6.391
   79    HA   SER  11           HA       SER  11  -2.476   5.522   7.539
   80    HB2  SER  11           HB2      SER  11  -0.957   3.555   6.871
   81    HB3  SER  11           HB3      SER  11  -0.230   3.739   8.467
   82    HG   SER  11           HG       SER  11  -2.979   3.272   7.926
   83    H    SER  12           H        SER  12   0.621   6.406   8.899
   84    HA   SER  12           HA       SER  12  -0.356   6.468  11.614
   85    HB2  SER  12           HB2      SER  12   1.994   5.921  11.165
   86    HB3  SER  12           HB3      SER  12   2.232   7.507  10.431
   87    HG   SER  12           HG       SER  12   2.799   7.987  12.415
   88    H    LYS  13           H        LYS  13   0.475   8.829   9.110
   89    HA   LYS  13           HA       LYS  13   0.152  11.172  10.557
   90    HB2  LYS  13           HB2      LYS  13   0.945  10.838   8.132
   91    HB3  LYS  13           HB3      LYS  13  -0.759  10.895   7.701
   92    HG2  LYS  13           HG2      LYS  13  -0.560  13.120   9.218
   93    HG3  LYS  13           HG3      LYS  13   1.059  13.050   8.520
   94    HD2  LYS  13           HD2      LYS  13  -1.160  12.563   6.643
   95    HD3  LYS  13           HD3      LYS  13  -1.066  14.197   7.305
   96    HE2  LYS  13           HE2      LYS  13   1.424  14.081   6.669
   97    HE3  LYS  13           HE3      LYS  13   0.960  12.704   5.671
   98    HZ1  LYS  13           HZ1      LYS  13   0.862  15.313   4.923
   99    HZ2  LYS  13           HZ2      LYS  13  -0.751  14.974   5.304
  100    HZ3  LYS  13           HZ3      LYS  13   0.060  14.037   4.152
  101    H    PHE  14           H        PHE  14  -2.262   9.074   9.108
  102    HA   PHE  14           HA       PHE  14  -4.357  10.756  10.319
  103    HB2  PHE  14           HB2      PHE  14  -4.338  10.703   7.792
  104    HB3  PHE  14           HB3      PHE  14  -4.717   8.987   7.897
  105    HD1  PHE  14           HD1      PHE  14  -6.884   8.688   7.190
  106    HD2  PHE  14           HD2      PHE  14  -5.988  11.928   9.800
  107    HE1  PHE  14           HE1      PHE  14  -9.280   9.226   7.338
  108    HE2  PHE  14           HE2      PHE  14  -8.383  12.471   9.953
  109    HZ   PHE  14           HZ       PHE  14 -10.033  11.119   8.722
  Start of MODEL    3
    1    H    MET   1           H        MET   1   2.206  -0.097   0.594
    2    HA   MET   1           HA       MET   1   2.313  -0.015  -2.348
    3    HB2  MET   1           HB2      MET   1   4.210   1.443  -0.505
    4    HB3  MET   1           HB3      MET   1   4.147   1.543  -2.260
    5    HG2  MET   1           HG2      MET   1   1.943   2.443  -0.420
    6    HG3  MET   1           HG3      MET   1   3.176   3.500  -1.103
    7    HE1  MET   1           HE1      MET   1   1.629   5.037  -1.905
    8    HE2  MET   1           HE2      MET   1   2.421   4.920  -3.477
    9    HE3  MET   1           HE3      MET   1   0.660   4.906  -3.373
   10    H    GLU   2           H        GLU   2   2.570  -2.238  -0.397
   11    HA   GLU   2           HA       GLU   2   3.870  -4.067  -0.008
   12    HB2  GLU   2           HB2      GLU   2   5.159  -3.187  -2.598
   13    HB3  GLU   2           HB3      GLU   2   5.341  -4.771  -1.859
   14    HG2  GLU   2           HG2      GLU   2   3.098  -5.338  -2.266
   15    HG3  GLU   2           HG3      GLU   2   2.662  -3.670  -2.634
   16    H    ASN   3           H        ASN   3   4.718  -1.529   1.134
   17    HA   ASN   3           HA       ASN   3   7.437  -2.300   1.810
   18    HB2  ASN   3           HB2      ASN   3   6.720   0.292   0.467
   19    HB3  ASN   3           HB3      ASN   3   8.096   0.203   1.563
   20   HD21  ASN   3          HD21      ASN   3   6.893  -0.507  -1.549
   21   HD22  ASN   3          HD22      ASN   3   8.325  -1.231  -2.189
   22    H    THR   4           H        THR   4   8.267  -0.452   3.452
   23    HA   THR   4           HA       THR   4   6.049   0.118   5.304
   24    HB   THR   4           HB       THR   4   7.153  -1.763   6.263
   25    HG1  THR   4           HG1      THR   4   8.431   0.333   7.645
   26   HG21  THR   4          HG21      THR   4   9.207  -2.088   5.325
   27   HG22  THR   4          HG22      THR   4   9.719  -1.321   6.828
   28   HG23  THR   4          HG23      THR   4   9.609  -0.371   5.346
   29    H    SER   5           H        SER   5   6.338   2.208   4.038
   30    HA   SER   5           HA       SER   5   7.862   4.026   5.677
   31    HB2  SER   5           HB2      SER   5   9.085   5.041   3.764
   32    HB3  SER   5           HB3      SER   5   9.593   3.384   4.092
   33    HG   SER   5           HG       SER   5   9.115   3.009   2.090
   34    H    ILE   6           H        ILE   6   6.186   3.791   2.539
   35    HA   ILE   6           HA       ILE   6   5.024   6.413   2.861
   36    HB   ILE   6           HB       ILE   6   4.348   4.342   0.773
   37   HG12  ILE   6          HG12      ILE   6   6.770   4.823   0.794
   38   HG13  ILE   6          HG13      ILE   6   5.993   5.439  -0.661
   39   HG21  ILE   6          HG21      ILE   6   4.149   6.929  -0.257
   40   HG22  ILE   6          HG22      ILE   6   2.827   5.838   0.154
   41   HG23  ILE   6          HG23      ILE   6   3.410   7.003   1.342
   42   HD11  ILE   6          HD11      ILE   6   7.590   7.036   0.172
   43   HD12  ILE   6          HD12      ILE   6   5.958   7.682   0.343
   44   HD13  ILE   6          HD13      ILE   6   6.806   7.043   1.751
   45    H    THR   7           H        THR   7   3.784   3.080   2.702
   46    HA   THR   7           HA       THR   7   1.090   3.685   3.158
   47    HB   THR   7           HB       THR   7   1.870   1.479   2.369
   48    HG1  THR   7           HG1      THR   7   0.433   1.259   4.820
   49   HG21  THR   7          HG21      THR   7   2.770  -0.145   3.944
   50   HG22  THR   7          HG22      THR   7   2.739   1.060   5.232
   51   HG23  THR   7          HG23      THR   7   3.823   1.266   3.856
   52    H    ILE   8           H        ILE   8   3.778   3.299   5.366
   53    HA   ILE   8           HA       ILE   8   2.090   3.283   7.713
   54    HB   ILE   8           HB       ILE   8   4.175   3.294   8.990
   55   HG12  ILE   8          HG12      ILE   8   6.257   2.936   7.315
   56   HG13  ILE   8          HG13      ILE   8   5.291   4.043   6.346
   57   HG21  ILE   8          HG21      ILE   8   4.470   1.345   6.721
   58   HG22  ILE   8          HG22      ILE   8   4.904   1.125   8.415
   59   HG23  ILE   8          HG23      ILE   8   3.207   1.201   7.942
   60   HD11  ILE   8          HD11      ILE   8   5.247   5.250   8.786
   61   HD12  ILE   8          HD12      ILE   8   6.857   4.530   8.755
   62   HD13  ILE   8          HD13      ILE   8   6.360   5.636   7.475
   63    H    GLU   9           H        GLU   9   4.028   5.580   5.909
   64    HA   GLU   9           HA       GLU   9   4.052   7.646   7.837
   65    HB2  GLU   9           HB2      GLU   9   5.621   7.738   6.034
   66    HB3  GLU   9           HB3      GLU   9   4.337   7.682   4.834
   67    HG2  GLU   9           HG2      GLU   9   3.829   9.883   5.063
   68    HG3  GLU   9           HG3      GLU   9   4.315   9.934   6.757
   69    H    PHE  10           H        PHE  10   1.739   6.673   5.398
   70    HA   PHE  10           HA       PHE  10   0.122   9.047   5.725
   71    HB2  PHE  10           HB2      PHE  10   0.050   6.625   4.006
   72    HB3  PHE  10           HB3      PHE  10  -1.489   7.415   4.334
   73    HD1  PHE  10           HD1      PHE  10  -1.949   9.640   3.500
   74    HD2  PHE  10           HD2      PHE  10   1.758   7.710   2.693
   75    HE1  PHE  10           HE1      PHE  10  -1.475  11.294   1.742
   76    HE2  PHE  10           HE2      PHE  10   2.238   9.362   0.934
   77    HZ   PHE  10           HZ       PHE  10   0.622  11.157   0.457
   78    H    SER  11           H        SER  11  -0.062   5.625   6.614
   79    HA   SER  11           HA       SER  11  -2.613   5.761   7.828
   80    HB2  SER  11           HB2      SER  11  -2.054   3.574   7.393
   81    HB3  SER  11           HB3      SER  11  -0.357   3.812   7.812
   82    HG   SER  11           HG       SER  11  -1.794   2.556   9.311
   83    H    SER  12           H        SER  12   0.580   6.566   8.914
   84    HA   SER  12           HA       SER  12  -0.120   6.606  11.714
   85    HB2  SER  12           HB2      SER  12   2.177   6.067  11.011
   86    HB3  SER  12           HB3      SER  12   2.336   7.671  10.296
   87    HG   SER  12           HG       SER  12   2.800   8.408  12.198
   88    H    LYS  13           H        LYS  13   0.729   9.061   9.277
   89    HA   LYS  13           HA       LYS  13   0.385  11.335  10.805
   90    HB2  LYS  13           HB2      LYS  13   0.105  10.736   7.893
   91    HB3  LYS  13           HB3      LYS  13  -0.440  12.302   8.480
   92    HG2  LYS  13           HG2      LYS  13   1.958  12.263   9.628
   93    HG3  LYS  13           HG3      LYS  13   2.297  11.203   8.258
   94    HD2  LYS  13           HD2      LYS  13   1.129  13.981   8.088
   95    HD3  LYS  13           HD3      LYS  13   2.805  13.546   7.741
   96    HE2  LYS  13           HE2      LYS  13   0.375  12.519   6.278
   97    HE3  LYS  13           HE3      LYS  13   1.476  13.765   5.693
   98    HZ1  LYS  13           HZ1      LYS  13   2.032  10.888   6.105
   99    HZ2  LYS  13           HZ2      LYS  13   3.271  12.025   5.927
  100    HZ3  LYS  13           HZ3      LYS  13   2.158  11.785   4.676
  101    H    PHE  14           H        PHE  14  -2.049   9.415   9.115
  102    HA   PHE  14           HA       PHE  14  -4.122  10.898  10.587
  103    HB2  PHE  14           HB2      PHE  14  -4.218  11.588   8.254
  104    HB3  PHE  14           HB3      PHE  14  -4.272   9.907   7.734
  105    HD1  PHE  14           HD1      PHE  14  -6.306   8.779   7.540
  106    HD2  PHE  14           HD2      PHE  14  -6.140  12.480   9.635
  107    HE1  PHE  14           HE1      PHE  14  -8.764   8.825   7.646
  108    HE2  PHE  14           HE2      PHE  14  -8.597  12.531   9.746
  109    HZ   PHE  14           HZ       PHE  14  -9.913  10.702   8.752
  Start of MODEL    4
    1    H    MET   1           H        MET   1   1.833   0.012   0.848
    2    HA   MET   1           HA       MET   1   1.335  -0.389  -2.019
    3    HB2  MET   1           HB2      MET   1   3.148   1.667  -0.762
    4    HB3  MET   1           HB3      MET   1   3.296   1.168  -2.441
    5    HG2  MET   1           HG2      MET   1   1.054   1.949  -2.904
    6    HG3  MET   1           HG3      MET   1   0.831   2.374  -1.209
    7    HE1  MET   1           HE1      MET   1   0.373   4.180  -3.786
    8    HE2  MET   1           HE2      MET   1   1.627   5.374  -4.120
    9    HE3  MET   1           HE3      MET   1   1.829   3.708  -4.664
   10    H    GLU   2           H        GLU   2   2.184  -2.150   0.216
   11    HA   GLU   2           HA       GLU   2   3.638  -3.864   0.567
   12    HB2  GLU   2           HB2      GLU   2   4.685  -3.251  -2.199
   13    HB3  GLU   2           HB3      GLU   2   4.836  -4.767  -1.322
   14    HG2  GLU   2           HG2      GLU   2   2.367  -4.991  -1.393
   15    HG3  GLU   2           HG3      GLU   2   2.307  -3.548  -2.402
   16    H    ASN   3           H        ASN   3   4.378  -1.426   1.623
   17    HA   ASN   3           HA       ASN   3   7.269  -1.741   1.713
   18    HB2  ASN   3           HB2      ASN   3   5.870   0.759   0.806
   19    HB3  ASN   3           HB3      ASN   3   7.433   0.852   1.613
   20   HD21  ASN   3          HD21      ASN   3   5.746   0.027  -1.263
   21   HD22  ASN   3          HD22      ASN   3   7.130  -0.325  -2.236
   22    H    THR   4           H        THR   4   8.090   0.109   3.357
   23    HA   THR   4           HA       THR   4   6.201   0.264   5.600
   24    HB   THR   4           HB       THR   4   7.621  -1.687   6.027
   25    HG1  THR   4           HG1      THR   4   7.007  -0.428   7.825
   26   HG21  THR   4          HG21      THR   4  10.103  -0.354   6.572
   27   HG22  THR   4          HG22      THR   4   9.641  -0.085   4.891
   28   HG23  THR   4          HG23      THR   4   9.788  -1.729   5.513
   29    H    SER   5           H        SER   5   6.782   2.356   3.894
   30    HA   SER   5           HA       SER   5   8.138   4.186   5.728
   31    HB2  SER   5           HB2      SER   5   9.958   4.037   4.347
   32    HB3  SER   5           HB3      SER   5   8.995   3.537   2.957
   33    HG   SER   5           HG       SER   5   9.784   6.035   3.726
   34    H    ILE   6           H        ILE   6   6.507   4.067   2.557
   35    HA   ILE   6           HA       ILE   6   5.285   6.646   3.006
   36    HB   ILE   6           HB       ILE   6   4.703   4.703   0.773
   37   HG12  ILE   6          HG12      ILE   6   7.107   5.172   0.856
   38   HG13  ILE   6          HG13      ILE   6   6.368   5.947  -0.541
   39   HG21  ILE   6          HG21      ILE   6   4.332   7.070  -0.337
   40   HG22  ILE   6          HG22      ILE   6   3.058   6.274   0.586
   41   HG23  ILE   6          HG23      ILE   6   4.029   7.541   1.335
   42   HD11  ILE   6          HD11      ILE   6   7.955   7.115   1.463
   43   HD12  ILE   6          HD12      ILE   6   7.153   7.906   0.105
   44   HD13  ILE   6          HD13      ILE   6   6.325   7.761   1.655
   45    H    THR   7           H        THR   7   4.087   3.324   2.522
   46    HA   THR   7           HA       THR   7   1.384   3.838   2.956
   47    HB   THR   7           HB       THR   7   2.279   1.696   2.067
   48    HG1  THR   7           HG1      THR   7   0.620   0.530   2.938
   49   HG21  THR   7          HG21      THR   7   2.925   1.094   4.956
   50   HG22  THR   7          HG22      THR   7   4.118   1.436   3.702
   51   HG23  THR   7          HG23      THR   7   3.104  -0.003   3.588
   52    H    ILE   8           H        ILE   8   4.008   3.426   5.221
   53    HA   ILE   8           HA       ILE   8   2.233   3.227   7.505
   54    HB   ILE   8           HB       ILE   8   4.264   3.159   8.857
   55   HG12  ILE   8          HG12      ILE   8   6.416   2.933   7.245
   56   HG13  ILE   8          HG13      ILE   8   5.478   4.101   6.320
   57   HG21  ILE   8          HG21      ILE   8   4.813   1.363   6.530
   58   HG22  ILE   8          HG22      ILE   8   4.921   1.022   8.256
   59   HG23  ILE   8          HG23      ILE   8   3.342   1.164   7.483
   60   HD11  ILE   8          HD11      ILE   8   7.184   4.642   8.418
   61   HD12  ILE   8          HD12      ILE   8   5.997   5.742   7.716
   62   HD13  ILE   8          HD13      ILE   8   5.576   4.777   9.130
   63    H    GLU   9           H        GLU   9   4.213   5.634   5.905
   64    HA   GLU   9           HA       GLU   9   4.192   7.584   7.941
   65    HB2  GLU   9           HB2      GLU   9   5.764   7.805   6.155
   66    HB3  GLU   9           HB3      GLU   9   4.487   7.798   4.947
   67    HG2  GLU   9           HG2      GLU   9   3.752   9.959   5.582
   68    HG3  GLU   9           HG3      GLU   9   4.768   9.950   7.023
   69    H    PHE  10           H        PHE  10   1.888   6.727   5.453
   70    HA   PHE  10           HA       PHE  10   0.236   9.056   5.977
   71    HB2  PHE  10           HB2      PHE  10   0.551   7.995   3.680
   72    HB3  PHE  10           HB3      PHE  10  -0.479   6.687   4.253
   73    HD1  PHE  10           HD1      PHE  10  -2.586   6.816   3.373
   74    HD2  PHE  10           HD2      PHE  10  -0.604  10.411   4.500
   75    HE1  PHE  10           HE1      PHE  10  -4.581   8.110   2.742
   76    HE2  PHE  10           HE2      PHE  10  -2.596  11.710   3.871
   77    HZ   PHE  10           HZ       PHE  10  -4.588  10.561   2.992
   78    H    SER  11           H        SER  11   0.046   5.537   6.390
   79    HA   SER  11           HA       SER  11  -2.512   5.444   7.531
   80    HB2  SER  11           HB2      SER  11  -1.732   3.355   6.886
   81    HB3  SER  11           HB3      SER  11  -0.131   3.626   7.572
   82    HG   SER  11           HG       SER  11  -1.109   2.258   8.965
   83    H    SER  12           H        SER  12   0.564   6.335   8.855
   84    HA   SER  12           HA       SER  12  -0.383   6.171  11.601
   85    HB2  SER  12           HB2      SER  12   1.939   5.529  11.104
   86    HB3  SER  12           HB3      SER  12   2.260   7.151  10.492
   87    HG   SER  12           HG       SER  12   2.307   7.913  12.481
   88    H    LYS  13           H        LYS  13   0.670   8.654   9.294
   89    HA   LYS  13           HA       LYS  13   0.294  10.873  10.974
   90    HB2  LYS  13           HB2      LYS  13   1.567  10.969   8.873
   91    HB3  LYS  13           HB3      LYS  13   0.085  10.718   7.961
   92    HG2  LYS  13           HG2      LYS  13   0.220  12.972   7.799
   93    HG3  LYS  13           HG3      LYS  13  -0.669  12.866   9.321
   94    HD2  LYS  13           HD2      LYS  13   2.290  12.816   9.480
   95    HD3  LYS  13           HD3      LYS  13   1.536  14.348   9.032
   96    HE2  LYS  13           HE2      LYS  13   0.410  12.866  11.347
   97    HE3  LYS  13           HE3      LYS  13   1.965  13.667  11.562
   98    HZ1  LYS  13           HZ1      LYS  13  -0.665  14.856  10.976
   99    HZ2  LYS  13           HZ2      LYS  13   0.747  15.676  10.533
  100    HZ3  LYS  13           HZ3      LYS  13   0.465  15.293  12.157
  101    H    PHE  14           H        PHE  14  -1.898   9.219   8.748
  102    HA   PHE  14           HA       PHE  14  -4.121  10.733   9.947
  103    HB2  PHE  14           HB2      PHE  14  -3.531  11.300   7.509
  104    HB3  PHE  14           HB3      PHE  14  -4.169   9.707   7.116
  105    HD1  PHE  14           HD1      PHE  14  -6.372   9.566   6.499
  106    HD2  PHE  14           HD2      PHE  14  -5.145  12.747   9.047
  107    HE1  PHE  14           HE1      PHE  14  -8.648  10.496   6.428
  108    HE2  PHE  14           HE2      PHE  14  -7.421  13.682   8.981
  109    HZ   PHE  14           HZ       PHE  14  -9.175  12.557   7.669
  Start of MODEL    5
    1    H    MET   1           H        MET   1   1.876   0.027   0.453
    2    HA   MET   1           HA       MET   1   1.732  -0.583  -2.424
    3    HB2  MET   1           HB2      MET   1   3.291   1.564  -1.017
    4    HB3  MET   1           HB3      MET   1   3.850   0.910  -2.551
    5    HG2  MET   1           HG2      MET   1   1.789   1.584  -3.624
    6    HG3  MET   1           HG3      MET   1   1.156   2.166  -2.086
    7    HE1  MET   1           HE1      MET   1   2.031   4.788  -4.921
    8    HE2  MET   1           HE2      MET   1   3.429   3.770  -5.270
    9    HE3  MET   1           HE3      MET   1   1.834   3.041  -5.072
   10    H    GLU   2           H        GLU   2   2.259  -2.255  -0.027
   11    HA   GLU   2           HA       GLU   2   3.652  -3.928   0.633
   12    HB2  GLU   2           HB2      GLU   2   4.984  -3.645  -2.057
   13    HB3  GLU   2           HB3      GLU   2   4.865  -5.086  -1.057
   14    HG2  GLU   2           HG2      GLU   2   2.618  -3.716  -2.513
   15    HG3  GLU   2           HG3      GLU   2   3.359  -5.262  -2.921
   16    H    ASN   3           H        ASN   3   4.402  -1.362   1.435
   17    HA   ASN   3           HA       ASN   3   7.297  -1.728   1.681
   18    HB2  ASN   3           HB2      ASN   3   5.886   0.654   0.579
   19    HB3  ASN   3           HB3      ASN   3   7.285   0.937   1.611
   20   HD21  ASN   3          HD21      ASN   3   6.229  -0.906  -1.214
   21   HD22  ASN   3          HD22      ASN   3   7.752  -0.864  -2.029
   22    H    THR   4           H        THR   4   8.096   0.068   3.347
   23    HA   THR   4           HA       THR   4   6.151   0.252   5.543
   24    HB   THR   4           HB       THR   4   7.569  -1.686   6.014
   25    HG1  THR   4           HG1      THR   4   8.359  -0.905   8.068
   26   HG21  THR   4          HG21      THR   4   9.984   0.015   6.345
   27   HG22  THR   4          HG22      THR   4   9.548  -0.483   4.711
   28   HG23  THR   4          HG23      THR   4   9.853  -1.698   5.951
   29    H    SER   5           H        SER   5   6.714   2.349   3.865
   30    HA   SER   5           HA       SER   5   8.044   4.190   5.704
   31    HB2  SER   5           HB2      SER   5   9.880   4.065   4.347
   32    HB3  SER   5           HB3      SER   5   8.943   3.538   2.949
   33    HG   SER   5           HG       SER   5   8.629   5.559   2.382
   34    H    ILE   6           H        ILE   6   6.406   4.014   2.542
   35    HA   ILE   6           HA       ILE   6   5.190   6.603   2.932
   36    HB   ILE   6           HB       ILE   6   4.728   4.559   0.757
   37   HG12  ILE   6          HG12      ILE   6   6.345   7.106   0.619
   38   HG13  ILE   6          HG13      ILE   6   7.060   5.537   0.973
   39   HG21  ILE   6          HG21      ILE   6   3.783   6.488  -0.489
   40   HG22  ILE   6          HG22      ILE   6   2.836   6.028   0.925
   41   HG23  ILE   6          HG23      ILE   6   3.887   7.443   0.990
   42   HD11  ILE   6          HD11      ILE   6   5.718   6.431  -1.556
   43   HD12  ILE   6          HD12      ILE   6   7.390   5.920  -1.323
   44   HD13  ILE   6          HD13      ILE   6   6.083   4.742  -1.209
   45    H    THR   7           H        THR   7   4.005   3.260   2.605
   46    HA   THR   7           HA       THR   7   1.298   3.802   3.053
   47    HB   THR   7           HB       THR   7   2.189   1.638   2.190
   48    HG1  THR   7           HG1      THR   7   0.587   0.418   3.243
   49   HG21  THR   7          HG21      THR   7   2.785   1.036   5.087
   50   HG22  THR   7          HG22      THR   7   4.013   1.431   3.884
   51   HG23  THR   7          HG23      THR   7   3.036  -0.026   3.702
   52    H    ILE   8           H        ILE   8   3.964   3.419   5.273
   53    HA   ILE   8           HA       ILE   8   2.238   3.262   7.596
   54    HB   ILE   8           HB       ILE   8   4.288   3.210   8.908
   55   HG12  ILE   8          HG12      ILE   8   6.428   3.010   7.292
   56   HG13  ILE   8          HG13      ILE   8   5.465   4.138   6.344
   57   HG21  ILE   8          HG21      ILE   8   3.371   1.205   7.528
   58   HG22  ILE   8          HG22      ILE   8   4.849   1.412   6.589
   59   HG23  ILE   8          HG23      ILE   8   4.942   1.076   8.318
   60   HD11  ILE   8          HD11      ILE   8   6.891   4.529   8.872
   61   HD12  ILE   8          HD12      ILE   8   6.498   5.679   7.592
   62   HD13  ILE   8          HD13      ILE   8   5.285   5.253   8.799
   63    H    GLU   9           H        GLU   9   4.155   5.650   5.899
   64    HA   GLU   9           HA       GLU   9   4.177   7.637   7.903
   65    HB2  GLU   9           HB2      GLU   9   5.706   7.831   6.076
   66    HB3  GLU   9           HB3      GLU   9   4.401   7.797   4.899
   67    HG2  GLU   9           HG2      GLU   9   3.653   9.965   5.563
   68    HG3  GLU   9           HG3      GLU   9   4.774   9.989   6.923
   69    H    PHE  10           H        PHE  10   1.826   6.730   5.475
   70    HA   PHE  10           HA       PHE  10   0.174   9.059   5.990
   71    HB2  PHE  10           HB2      PHE  10   0.404   8.020   3.708
   72    HB3  PHE  10           HB3      PHE  10  -0.493   6.632   4.316
   73    HD1  PHE  10           HD1      PHE  10  -2.835   7.047   5.234
   74    HD2  PHE  10           HD2      PHE  10  -0.712   9.877   2.867
   75    HE1  PHE  10           HE1      PHE  10  -4.952   8.175   4.690
   76    HE2  PHE  10           HE2      PHE  10  -2.826  11.010   2.320
   77    HZ   PHE  10           HZ       PHE  10  -4.950  10.160   3.232
   78    H    SER  11           H        SER  11  -0.038   5.541   6.444
   79    HA   SER  11           HA       SER  11  -2.551   5.482   7.671
   80    HB2  SER  11           HB2      SER  11  -1.449   3.457   6.850
   81    HB3  SER  11           HB3      SER  11  -0.194   3.624   8.078
   82    HG   SER  11           HG       SER  11  -1.768   2.155   8.764
   83    H    SER  12           H        SER  12   0.570   6.363   8.896
   84    HA   SER  12           HA       SER  12  -0.286   6.237  11.670
   85    HB2  SER  12           HB2      SER  12   2.010   5.605  11.177
   86    HB3  SER  12           HB3      SER  12   2.308   7.166  10.413
   87    HG   SER  12           HG       SER  12   3.006   7.581  12.382
   88    H    LYS  13           H        LYS  13   0.726   8.720   9.336
   89    HA   LYS  13           HA       LYS  13   0.450  10.964  10.937
   90    HB2  LYS  13           HB2      LYS  13   0.294  10.451   8.008
   91    HB3  LYS  13           HB3      LYS  13  -0.282  12.006   8.592
   92    HG2  LYS  13           HG2      LYS  13   2.389  11.035   9.479
   93    HG3  LYS  13           HG3      LYS  13   2.204  11.686   7.848
   94    HD2  LYS  13           HD2      LYS  13   2.734  13.598   8.998
   95    HD3  LYS  13           HD3      LYS  13   0.973  13.634   9.121
   96    HE2  LYS  13           HE2      LYS  13   0.982  13.048  11.343
   97    HE3  LYS  13           HE3      LYS  13   2.536  12.224  11.230
   98    HZ1  LYS  13           HZ1      LYS  13   1.999  14.885  12.002
   99    HZ2  LYS  13           HZ2      LYS  13   3.003  14.892  10.641
  100    HZ3  LYS  13           HZ3      LYS  13   3.469  14.049  12.031
  101    H    PHE  14           H        PHE  14  -2.003   9.343   8.949
  102    HA   PHE  14           HA       PHE  14  -4.108  10.033  10.716
  103    HB2  PHE  14           HB2      PHE  14  -3.797  12.249   9.680
  104    HB3  PHE  14           HB3      PHE  14  -4.043  11.534   8.090
  105    HD1  PHE  14           HD1      PHE  14  -6.228  10.991   7.299
  106    HD2  PHE  14           HD2      PHE  14  -5.659  12.436  11.262
  107    HE1  PHE  14           HE1      PHE  14  -8.651  11.359   7.509
  108    HE2  PHE  14           HE2      PHE  14  -8.082  12.806  11.478
  109    HZ   PHE  14           HZ       PHE  14  -9.581  12.268   9.600
  Start of MODEL    6
    1    H    MET   1           H        MET   1   1.879   0.052   0.711
    2    HA   MET   1           HA       MET   1   1.530  -0.516  -2.155
    3    HB2  MET   1           HB2      MET   1   3.346   1.538  -0.891
    4    HB3  MET   1           HB3      MET   1   3.497   1.006  -2.561
    5    HG2  MET   1           HG2      MET   1   1.002   2.232  -1.415
    6    HG3  MET   1           HG3      MET   1   2.263   3.148  -2.237
    7    HE1  MET   1           HE1      MET   1  -0.450   3.622  -3.314
    8    HE2  MET   1           HE2      MET   1   0.952   4.126  -4.259
    9    HE3  MET   1           HE3      MET   1  -0.368   3.250  -5.037
   10    H    GLU   2           H        GLU   2   2.227  -2.210   0.177
   11    HA   GLU   2           HA       GLU   2   3.657  -3.898   0.707
   12    HB2  GLU   2           HB2      GLU   2   4.641  -3.464  -2.119
   13    HB3  GLU   2           HB3      GLU   2   4.977  -4.875  -1.127
   14    HG2  GLU   2           HG2      GLU   2   2.323  -3.998  -2.228
   15    HG3  GLU   2           HG3      GLU   2   3.241  -5.444  -2.644
   16    H    ASN   3           H        ASN   3   4.432  -1.421   1.619
   17    HA   ASN   3           HA       ASN   3   7.325  -1.765   1.730
   18    HB2  ASN   3           HB2      ASN   3   5.931   0.737   0.806
   19    HB3  ASN   3           HB3      ASN   3   7.526   0.804   1.550
   20   HD21  ASN   3          HD21      ASN   3   5.842   0.453  -1.301
   21   HD22  ASN   3          HD22      ASN   3   7.125  -0.130  -2.300
   22    H    THR   4           H        THR   4   8.133   0.175   3.309
   23    HA   THR   4           HA       THR   4   6.265   0.358   5.565
   24    HB   THR   4           HB       THR   4   7.700  -1.564   6.043
   25    HG1  THR   4           HG1      THR   4   7.913  -0.925   8.068
   26   HG21  THR   4          HG21      THR   4   9.893  -1.623   5.611
   27   HG22  THR   4          HG22      THR   4  10.172  -0.101   6.457
   28   HG23  THR   4          HG23      THR   4   9.677  -0.092   4.764
   29    H    SER   5           H        SER   5   6.763   2.423   3.837
   30    HA   SER   5           HA       SER   5   8.168   4.297   5.589
   31    HB2  SER   5           HB2      SER   5   9.231   5.371   3.584
   32    HB3  SER   5           HB3      SER   5   9.851   3.761   3.947
   33    HG   SER   5           HG       SER   5   9.186   4.367   1.664
   34    H    ILE   6           H        ILE   6   6.464   4.184   2.454
   35    HA   ILE   6           HA       ILE   6   5.181   6.716   2.986
   36    HB   ILE   6           HB       ILE   6   4.636   4.807   0.713
   37   HG12  ILE   6          HG12      ILE   6   7.015   5.387   0.770
   38   HG13  ILE   6          HG13      ILE   6   6.219   6.170  -0.591
   39   HG21  ILE   6          HG21      ILE   6   3.698   7.488   1.445
   40   HG22  ILE   6          HG22      ILE   6   4.229   7.322  -0.228
   41   HG23  ILE   6          HG23      ILE   6   2.962   6.271   0.402
   42   HD11  ILE   6          HD11      ILE   6   6.945   7.466   2.025
   43   HD12  ILE   6          HD12      ILE   6   7.773   7.679   0.482
   44   HD13  ILE   6          HD13      ILE   6   6.118   8.255   0.683
   45    H    THR   7           H        THR   7   4.087   3.363   2.488
   46    HA   THR   7           HA       THR   7   1.368   3.791   2.950
   47    HB   THR   7           HB       THR   7   2.328   1.691   2.020
   48    HG1  THR   7           HG1      THR   7   0.246   1.459   2.661
   49   HG21  THR   7          HG21      THR   7   4.183   1.419   3.599
   50   HG22  THR   7          HG22      THR   7   3.162  -0.019   3.560
   51   HG23  THR   7          HG23      THR   7   3.032   1.118   4.901
   52    H    ILE   8           H        ILE   8   4.033   3.403   5.177
   53    HA   ILE   8           HA       ILE   8   2.295   3.124   7.479
   54    HB   ILE   8           HB       ILE   8   4.347   3.098   8.804
   55   HG12  ILE   8          HG12      ILE   8   6.484   2.957   7.173
   56   HG13  ILE   8          HG13      ILE   8   5.502   4.094   6.257
   57   HG21  ILE   8          HG21      ILE   8   5.239   1.028   8.004
   58   HG22  ILE   8          HG22      ILE   8   3.511   1.048   7.655
   59   HG23  ILE   8          HG23      ILE   8   4.675   1.358   6.367
   60   HD11  ILE   8          HD11      ILE   8   6.966   4.457   8.755
   61   HD12  ILE   8          HD12      ILE   8   6.481   5.635   7.536
   62   HD13  ILE   8          HD13      ILE   8   5.332   5.119   8.770
   63    H    GLU   9           H        GLU   9   4.177   5.615   5.890
   64    HA   GLU   9           HA       GLU   9   4.091   7.528   7.972
   65    HB2  GLU   9           HB2      GLU   9   5.701   7.805   6.224
   66    HB3  GLU   9           HB3      GLU   9   4.450   7.801   4.989
   67    HG2  GLU   9           HG2      GLU   9   3.846   9.959   5.387
   68    HG3  GLU   9           HG3      GLU   9   4.329   9.899   7.081
   69    H    PHE  10           H        PHE  10   1.844   6.607   5.473
   70    HA   PHE  10           HA       PHE  10   0.144   8.916   5.919
   71    HB2  PHE  10           HB2      PHE  10   0.213   6.652   3.997
   72    HB3  PHE  10           HB3      PHE  10  -1.366   7.346   4.351
   73    HD1  PHE  10           HD1      PHE  10  -1.533   9.935   4.169
   74    HD2  PHE  10           HD2      PHE  10   1.531   7.597   2.362
   75    HE1  PHE  10           HE1      PHE  10  -1.090  11.755   2.574
   76    HE2  PHE  10           HE2      PHE  10   1.980   9.414   0.765
   77    HZ   PHE  10           HZ       PHE  10   0.668  11.496   0.869
   78    H    SER  11           H        SER  11  -0.031   5.399   6.396
   79    HA   SER  11           HA       SER  11  -2.578   5.322   7.557
   80    HB2  SER  11           HB2      SER  11  -1.796   3.225   6.940
   81    HB3  SER  11           HB3      SER  11  -0.193   3.508   7.620
   82    HG   SER  11           HG       SER  11  -2.167   2.219   8.741
   83    H    SER  12           H        SER  12   0.547   6.114   8.887
   84    HA   SER  12           HA       SER  12  -0.381   6.016  11.627
   85    HB2  SER  12           HB2      SER  12   1.925   5.414  11.214
   86    HB3  SER  12           HB3      SER  12   2.226   6.952  10.406
   87    HG   SER  12           HG       SER  12   2.953   7.244  12.443
   88    H    LYS  13           H        LYS  13   0.735   8.545   9.383
   89    HA   LYS  13           HA       LYS  13   0.353  10.760  10.987
   90    HB2  LYS  13           HB2      LYS  13   1.426  10.837   8.776
   91    HB3  LYS  13           HB3      LYS  13  -0.130  10.547   8.009
   92    HG2  LYS  13           HG2      LYS  13  -0.033  12.802   7.797
   93    HG3  LYS  13           HG3      LYS  13  -0.799  12.707   9.384
   94    HD2  LYS  13           HD2      LYS  13   2.178  12.756   9.219
   95    HD3  LYS  13           HD3      LYS  13   1.285  14.259   8.978
   96    HE2  LYS  13           HE2      LYS  13   0.055  13.556  11.163
   97    HE3  LYS  13           HE3      LYS  13   1.463  12.524  11.408
   98    HZ1  LYS  13           HZ1      LYS  13   2.388  15.050  10.683
   99    HZ2  LYS  13           HZ2      LYS  13   2.542  14.278  12.180
  100    HZ3  LYS  13           HZ3      LYS  13   1.214  15.282  11.880
  101    H    PHE  14           H        PHE  14  -2.008   8.964   9.088
  102    HA   PHE  14           HA       PHE  14  -4.282   8.956   9.088
  103    HB2  PHE  14           HB2      PHE  14  -3.674   9.006  11.667
  104    HB3  PHE  14           HB3      PHE  14  -4.401  10.606  11.574
  105    HD1  PHE  14           HD1      PHE  14  -6.625  10.750  12.090
  106    HD2  PHE  14           HD2      PHE  14  -5.137   7.138  10.402
  107    HE1  PHE  14           HE1      PHE  14  -8.862   9.744  12.280
  108    HE2  PHE  14           HE2      PHE  14  -7.372   6.126  10.588
  109    HZ   PHE  14           HZ       PHE  14  -9.238   7.429  11.529
  Start of MODEL    7
    1    H    MET   1           H        MET   1   2.226  -0.057   0.421
    2    HA   MET   1           HA       MET   1   1.960  -0.679  -2.440
    3    HB2  MET   1           HB2      MET   1   3.637   1.449  -1.148
    4    HB3  MET   1           HB3      MET   1   4.140   0.721  -2.668
    5    HG2  MET   1           HG2      MET   1   2.987   2.535  -3.427
    6    HG3  MET   1           HG3      MET   1   1.711   1.319  -3.416
    7    HE1  MET   1           HE1      MET   1  -0.592   1.881  -2.461
    8    HE2  MET   1           HE2      MET   1  -0.874   3.568  -2.030
    9    HE3  MET   1           HE3      MET   1  -0.080   3.168  -3.554
   10    H    GLU   2           H        GLU   2   2.453  -2.370  -0.101
   11    HA   GLU   2           HA       GLU   2   3.778  -4.108   0.529
   12    HB2  GLU   2           HB2      GLU   2   5.196  -3.786  -2.110
   13    HB3  GLU   2           HB3      GLU   2   4.998  -5.252  -1.161
   14    HG2  GLU   2           HG2      GLU   2   2.920  -3.783  -2.752
   15    HG3  GLU   2           HG3      GLU   2   3.525  -5.421  -2.994
   16    H    ASN   3           H        ASN   3   4.583  -1.480   1.292
   17    HA   ASN   3           HA       ASN   3   7.422  -2.004   1.764
   18    HB2  ASN   3           HB2      ASN   3   6.275   0.501   0.551
   19    HB3  ASN   3           HB3      ASN   3   7.791   0.533   1.446
   20   HD21  ASN   3          HD21      ASN   3   6.365   0.060  -1.532
   21   HD22  ASN   3          HD22      ASN   3   7.708  -0.648  -2.358
   22    H    THR   4           H        THR   4   8.198  -0.044   3.310
   23    HA   THR   4           HA       THR   4   6.127   0.385   5.349
   24    HB   THR   4           HB       THR   4   7.310  -1.493   6.213
   25    HG1  THR   4           HG1      THR   4   8.532   0.757   7.452
   26   HG21  THR   4          HG21      THR   4   9.304  -1.816   5.174
   27   HG22  THR   4          HG22      THR   4   9.916  -0.985   6.604
   28   HG23  THR   4          HG23      THR   4   9.669  -0.093   5.103
   29    H    SER   5           H        SER   5   6.297   2.496   4.111
   30    HA   SER   5           HA       SER   5   7.843   4.332   5.680
   31    HB2  SER   5           HB2      SER   5   9.027   5.349   3.721
   32    HB3  SER   5           HB3      SER   5   9.595   3.729   4.126
   33    HG   SER   5           HG       SER   5   8.236   2.943   2.438
   34    H    ILE   6           H        ILE   6   6.226   4.105   2.508
   35    HA   ILE   6           HA       ILE   6   5.000   6.694   2.858
   36    HB   ILE   6           HB       ILE   6   4.404   4.665   0.707
   37   HG12  ILE   6          HG12      ILE   6   6.805   5.101   0.743
   38   HG13  ILE   6          HG13      ILE   6   6.071   5.869  -0.661
   39   HG21  ILE   6          HG21      ILE   6   3.855   6.761  -0.579
   40   HG22  ILE   6          HG22      ILE   6   2.756   6.367   0.743
   41   HG23  ILE   6          HG23      ILE   6   3.967   7.632   0.951
   42   HD11  ILE   6          HD11      ILE   6   7.030   7.169   1.868
   43   HD12  ILE   6          HD12      ILE   6   7.620   7.407   0.222
   44   HD13  ILE   6          HD13      ILE   6   6.023   7.997   0.681
   45    H    THR   7           H        THR   7   3.862   3.332   2.643
   46    HA   THR   7           HA       THR   7   1.133   3.900   3.053
   47    HB   THR   7           HB       THR   7   1.944   1.746   2.152
   48    HG1  THR   7           HG1      THR   7   0.390   1.584   4.538
   49   HG21  THR   7          HG21      THR   7   2.783   1.186   5.000
   50   HG22  THR   7          HG22      THR   7   3.877   1.456   3.644
   51   HG23  THR   7          HG23      THR   7   2.824   0.042   3.659
   52    H    ILE   8           H        ILE   8   3.806   3.444   5.259
   53    HA   ILE   8           HA       ILE   8   2.103   3.262   7.589
   54    HB   ILE   8           HB       ILE   8   4.220   3.320   8.871
   55   HG12  ILE   8          HG12      ILE   8   6.145   2.886   6.885
   56   HG13  ILE   8          HG13      ILE   8   5.227   4.280   6.328
   57   HG21  ILE   8          HG21      ILE   8   4.682   1.330   6.710
   58   HG22  ILE   8          HG22      ILE   8   4.705   1.124   8.461
   59   HG23  ILE   8          HG23      ILE   8   3.167   1.259   7.609
   60   HD11  ILE   8          HD11      ILE   8   7.168   4.066   8.462
   61   HD12  ILE   8          HD12      ILE   8   6.550   5.493   7.629
   62   HD13  ILE   8          HD13      ILE   8   5.665   4.816   8.996
   63    H    GLU   9           H        GLU   9   3.962   5.701   5.904
   64    HA   GLU   9           HA       GLU   9   3.980   7.662   7.931
   65    HB2  GLU   9           HB2      GLU   9   5.476   7.906   6.083
   66    HB3  GLU   9           HB3      GLU   9   4.153   7.865   4.926
   67    HG2  GLU   9           HG2      GLU   9   3.387  10.012   5.606
   68    HG3  GLU   9           HG3      GLU   9   4.496  10.036   6.976
   69    H    PHE  10           H        PHE  10   1.617   6.773   5.501
   70    HA   PHE  10           HA       PHE  10  -0.074   9.051   6.121
   71    HB2  PHE  10           HB2      PHE  10   0.148   8.170   3.791
   72    HB3  PHE  10           HB3      PHE  10  -0.655   6.695   4.317
   73    HD1  PHE  10           HD1      PHE  10  -3.021   6.770   5.037
   74    HD2  PHE  10           HD2      PHE  10  -1.073  10.142   3.321
   75    HE1  PHE  10           HE1      PHE  10  -5.210   7.798   4.582
   76    HE2  PHE  10           HE2      PHE  10  -3.258  11.177   2.864
   77    HZ   PHE  10           HZ       PHE  10  -5.330  10.005   3.496
   78    H    SER  11           H        SER  11   0.081   5.603   6.742
   79    HA   SER  11           HA       SER  11  -2.531   5.409   7.884
   80    HB2  SER  11           HB2      SER  11  -1.460   3.433   6.947
   81    HB3  SER  11           HB3      SER  11  -0.132   3.573   8.099
   82    HG   SER  11           HG       SER  11  -1.326   2.344   9.308
   83    H    SER  12           H        SER  12   0.611   6.281   9.057
   84    HA   SER  12           HA       SER  12  -0.155   6.007  11.846
   85    HB2  SER  12           HB2      SER  12   2.153   5.465  11.137
   86    HB3  SER  12           HB3      SER  12   2.379   7.140  10.633
   87    HG   SER  12           HG       SER  12   2.143   6.070  13.218
   88    H    LYS  13           H        LYS  13   0.768   8.626   9.624
   89    HA   LYS  13           HA       LYS  13   0.173  10.693  11.507
   90    HB2  LYS  13           HB2      LYS  13   0.517  10.854   8.507
   91    HB3  LYS  13           HB3      LYS  13   0.512  12.220   9.614
   92    HG2  LYS  13           HG2      LYS  13   2.493   9.992   9.903
   93    HG3  LYS  13           HG3      LYS  13   2.766  11.333   8.788
   94    HD2  LYS  13           HD2      LYS  13   1.989  11.965  11.590
   95    HD3  LYS  13           HD3      LYS  13   3.634  11.402  11.287
   96    HE2  LYS  13           HE2      LYS  13   3.644  13.196   9.422
   97    HE3  LYS  13           HE3      LYS  13   2.262  13.869  10.284
   98    HZ1  LYS  13           HZ1      LYS  13   3.807  14.939  11.463
   99    HZ2  LYS  13           HZ2      LYS  13   5.056  13.905  10.983
  100    HZ3  LYS  13           HZ3      LYS  13   4.043  13.468  12.264
  101    H    PHE  14           H        PHE  14  -1.641   8.916   9.155
  102    HA   PHE  14           HA       PHE  14  -3.828   8.945   8.534
  103    HB2  PHE  14           HB2      PHE  14  -4.054  10.387  11.179
  104    HB3  PHE  14           HB3      PHE  14  -5.446   9.887  10.225
  105    HD1  PHE  14           HD1      PHE  14  -5.773   7.437   9.756
  106    HD2  PHE  14           HD2      PHE  14  -2.951   8.884  12.595
  107    HE1  PHE  14           HE1      PHE  14  -5.695   5.214  10.807
  108    HE2  PHE  14           HE2      PHE  14  -2.868   6.663  13.650
  109    HZ   PHE  14           HZ       PHE  14  -4.241   4.824  12.756
  Start of MODEL    8
    1    H    MET   1           H        MET   1   2.220  -0.039   0.313
    2    HA   MET   1           HA       MET   1   2.367  -0.378  -2.609
    3    HB2  MET   1           HB2      MET   1   3.964   1.460  -0.831
    4    HB3  MET   1           HB3      MET   1   4.488   1.022  -2.452
    5    HG2  MET   1           HG2      MET   1   1.776   2.189  -1.979
    6    HG3  MET   1           HG3      MET   1   3.200   3.218  -2.106
    7    HE1  MET   1           HE1      MET   1   3.932   4.149  -4.674
    8    HE2  MET   1           HE2      MET   1   2.408   4.124  -5.561
    9    HE3  MET   1           HE3      MET   1   2.425   4.541  -3.846
   10    H    GLU   2           H        GLU   2   2.550  -2.316  -0.366
   11    HA   GLU   2           HA       GLU   2   3.799  -4.107   0.280
   12    HB2  GLU   2           HB2      GLU   2   5.283  -3.647  -2.310
   13    HB3  GLU   2           HB3      GLU   2   5.171  -5.152  -1.410
   14    HG2  GLU   2           HG2      GLU   2   2.755  -5.213  -1.846
   15    HG3  GLU   2           HG3      GLU   2   2.906  -3.734  -2.794
   16    H    ASN   3           H        ASN   3   4.635  -1.599   1.281
   17    HA   ASN   3           HA       ASN   3   7.376  -2.266   1.966
   18    HB2  ASN   3           HB2      ASN   3   6.595   0.208   0.464
   19    HB3  ASN   3           HB3      ASN   3   7.930   0.272   1.610
   20   HD21  ASN   3          HD21      ASN   3   6.819  -0.918  -1.432
   21   HD22  ASN   3          HD22      ASN   3   8.337  -1.531  -1.987
   22    H    THR   4           H        THR   4   8.180  -0.375   3.541
   23    HA   THR   4           HA       THR   4   5.953   0.286   5.350
   24    HB   THR   4           HB       THR   4   7.015  -1.579   6.387
   25    HG1  THR   4           HG1      THR   4   8.013  -0.472   8.250
   26   HG21  THR   4          HG21      THR   4   9.500  -0.261   5.446
   27   HG22  THR   4          HG22      THR   4   9.078  -1.973   5.505
   28   HG23  THR   4          HG23      THR   4   9.583  -1.137   6.974
   29    H    SER   5           H        SER   5   6.304   2.321   4.001
   30    HA   SER   5           HA       SER   5   7.883   4.156   5.585
   31    HB2  SER   5           HB2      SER   5   9.092   5.097   3.653
   32    HB3  SER   5           HB3      SER   5   9.527   3.410   3.924
   33    HG   SER   5           HG       SER   5   8.797   4.366   1.686
   34    H    ILE   6           H        ILE   6   6.153   3.933   2.473
   35    HA   ILE   6           HA       ILE   6   5.001   6.557   2.843
   36    HB   ILE   6           HB       ILE   6   4.322   4.533   0.711
   37   HG12  ILE   6          HG12      ILE   6   6.414   6.719   0.661
   38   HG13  ILE   6          HG13      ILE   6   6.744   4.992   0.742
   39   HG21  ILE   6          HG21      ILE   6   3.248   7.054   1.360
   40   HG22  ILE   6          HG22      ILE   6   4.195   7.265  -0.112
   41   HG23  ILE   6          HG23      ILE   6   2.908   6.060  -0.057
   42   HD11  ILE   6          HD11      ILE   6   5.750   4.683  -1.449
   43   HD12  ILE   6          HD12      ILE   6   5.362   6.402  -1.528
   44   HD13  ILE   6          HD13      ILE   6   7.046   5.877  -1.508
   45    H    THR   7           H        THR   7   3.779   3.221   2.651
   46    HA   THR   7           HA       THR   7   1.077   3.822   3.105
   47    HB   THR   7           HB       THR   7   1.865   1.633   2.266
   48    HG1  THR   7           HG1      THR   7   0.390   0.400   3.589
   49   HG21  THR   7          HG21      THR   7   2.606   1.007   5.120
   50   HG22  THR   7          HG22      THR   7   3.787   1.487   3.902
   51   HG23  THR   7          HG23      THR   7   2.854   0.006   3.690
   52    H    ILE   8           H        ILE   8   3.774   3.469   5.286
   53    HA   ILE   8           HA       ILE   8   2.084   3.378   7.641
   54    HB   ILE   8           HB       ILE   8   4.164   3.342   8.918
   55   HG12  ILE   8          HG12      ILE   8   6.252   3.028   7.241
   56   HG13  ILE   8          HG13      ILE   8   5.291   4.164   6.300
   57   HG21  ILE   8          HG21      ILE   8   4.880   1.187   8.297
   58   HG22  ILE   8          HG22      ILE   8   3.194   1.284   7.794
   59   HG23  ILE   8          HG23      ILE   8   4.480   1.456   6.601
   60   HD11  ILE   8          HD11      ILE   8   6.837   4.575   8.743
   61   HD12  ILE   8          HD12      ILE   8   6.374   5.716   7.480
   62   HD13  ILE   8          HD13      ILE   8   5.234   5.310   8.763
   63    H    GLU   9           H        GLU   9   4.023   5.698   5.872
   64    HA   GLU   9           HA       GLU   9   4.134   7.727   7.811
   65    HB2  GLU   9           HB2      GLU   9   5.562   7.849   5.887
   66    HB3  GLU   9           HB3      GLU   9   4.184   7.847   4.795
   67    HG2  GLU   9           HG2      GLU   9   3.561  10.039   5.430
   68    HG3  GLU   9           HG3      GLU   9   4.681  10.035   6.791
   69    H    PHE  10           H        PHE  10   1.667   6.835   5.483
   70    HA   PHE  10           HA       PHE  10   0.056   9.170   6.102
   71    HB2  PHE  10           HB2      PHE  10   0.283   7.941   3.800
   72    HB3  PHE  10           HB3      PHE  10  -0.928   6.854   4.474
   73    HD1  PHE  10           HD1      PHE  10  -3.049   8.003   5.461
   74    HD2  PHE  10           HD2      PHE  10  -0.397   9.834   2.681
   75    HE1  PHE  10           HE1      PHE  10  -4.826   9.573   4.806
   76    HE2  PHE  10           HE2      PHE  10  -2.169  11.408   2.022
   77    HZ   PHE  10           HZ       PHE  10  -4.387  11.280   3.086
   78    H    SER  11           H        SER  11  -0.136   5.648   6.502
   79    HA   SER  11           HA       SER  11  -2.617   5.535   7.775
   80    HB2  SER  11           HB2      SER  11  -1.486   3.534   6.943
   81    HB3  SER  11           HB3      SER  11  -0.211   3.732   8.145
   82    HG   SER  11           HG       SER  11  -1.549   2.347   9.113
   83    H    SER  12           H        SER  12   0.497   6.492   8.959
   84    HA   SER  12           HA       SER  12  -0.356   6.378  11.742
   85    HB2  SER  12           HB2      SER  12   1.939   5.698  11.207
   86    HB3  SER  12           HB3      SER  12   2.260   7.289  10.517
   87    HG   SER  12           HG       SER  12   1.962   6.527  13.193
   88    H    LYS  13           H        LYS  13   0.906   8.849   9.503
   89    HA   LYS  13           HA       LYS  13   0.512  11.076  11.103
   90    HB2  LYS  13           HB2      LYS  13   1.710  10.984   8.886
   91    HB3  LYS  13           HB3      LYS  13   0.134  11.017   8.107
   92    HG2  LYS  13           HG2      LYS  13  -0.204  13.210   8.564
   93    HG3  LYS  13           HG3      LYS  13   0.696  13.147  10.081
   94    HD2  LYS  13           HD2      LYS  13   2.207  12.760   7.551
   95    HD3  LYS  13           HD3      LYS  13   1.641  14.388   7.934
   96    HE2  LYS  13           HE2      LYS  13   3.716  14.378   8.933
   97    HE3  LYS  13           HE3      LYS  13   2.681  13.891  10.274
   98    HZ1  LYS  13           HZ1      LYS  13   3.334  11.665  10.049
   99    HZ2  LYS  13           HZ2      LYS  13   4.769  12.550   9.918
  100    HZ3  LYS  13           HZ3      LYS  13   4.035  11.920   8.530
  101    H    PHE  14           H        PHE  14  -1.777   9.316   9.108
  102    HA   PHE  14           HA       PHE  14  -3.937  10.917  10.292
  103    HB2  PHE  14           HB2      PHE  14  -3.630  11.709   8.001
  104    HB3  PHE  14           HB3      PHE  14  -3.754  10.060   7.396
  105    HD1  PHE  14           HD1      PHE  14  -5.836   9.111   6.907
  106    HD2  PHE  14           HD2      PHE  14  -5.636  12.739   9.124
  107    HE1  PHE  14           HE1      PHE  14  -8.272   9.375   6.686
  108    HE2  PHE  14           HE2      PHE  14  -8.072  13.009   8.907
  109    HZ   PHE  14           HZ       PHE  14  -9.393  11.327   7.686
  Start of MODEL    9
    1    H    MET   1           H        MET   1   2.983   0.803  -0.048
    2    HA   MET   1           HA       MET   1   3.389   0.373  -2.932
    3    HB2  MET   1           HB2      MET   1   5.096   1.879  -0.972
    4    HB3  MET   1           HB3      MET   1   5.806   1.156  -2.410
    5    HG2  MET   1           HG2      MET   1   3.492   3.068  -2.506
    6    HG3  MET   1           HG3      MET   1   5.176   3.580  -2.586
    7    HE1  MET   1           HE1      MET   1   2.881   4.189  -4.797
    8    HE2  MET   1           HE2      MET   1   4.527   4.814  -4.900
    9    HE3  MET   1           HE3      MET   1   3.816   3.972  -6.277
   10    H    GLU   2           H        GLU   2   2.799  -1.486  -0.698
   11    HA   GLU   2           HA       GLU   2   3.455  -3.522   0.078
   12    HB2  GLU   2           HB2      GLU   2   4.966  -3.300  -2.506
   13    HB3  GLU   2           HB3      GLU   2   5.182  -4.702  -1.468
   14    HG2  GLU   2           HG2      GLU   2   2.613  -4.874  -1.540
   15    HG3  GLU   2           HG3      GLU   2   2.738  -3.807  -2.937
   16    H    ASN   3           H        ASN   3   4.873  -1.133   1.007
   17    HA   ASN   3           HA       ASN   3   7.197  -2.496   2.136
   18    HB2  ASN   3           HB2      ASN   3   7.262   0.023   0.518
   19    HB3  ASN   3           HB3      ASN   3   8.397  -0.171   1.851
   20   HD21  ASN   3          HD21      ASN   3   7.296  -1.546  -1.181
   21   HD22  ASN   3          HD22      ASN   3   8.755  -2.398  -1.540
   22    H    THR   4           H        THR   4   8.242  -0.821   3.804
   23    HA   THR   4           HA       THR   4   5.998   0.107   5.467
   24    HB   THR   4           HB       THR   4   7.220  -1.585   6.621
   25    HG1  THR   4           HG1      THR   4   7.181  -0.379   8.351
   26   HG21  THR   4          HG21      THR   4   9.572  -0.187   5.485
   27   HG22  THR   4          HG22      THR   4   9.289  -1.910   5.737
   28   HG23  THR   4          HG23      THR   4   9.765  -0.887   7.092
   29    H    SER   5           H        SER   5   6.169   2.041   3.944
   30    HA   SER   5           HA       SER   5   7.674   4.102   5.320
   31    HB2  SER   5           HB2      SER   5   8.756   4.964   3.313
   32    HB3  SER   5           HB3      SER   5   9.244   3.290   3.577
   33    HG   SER   5           HG       SER   5   8.708   3.377   1.466
   34    H    ILE   6           H        ILE   6   5.715   3.449   2.417
   35    HA   ILE   6           HA       ILE   6   4.450   6.040   2.575
   36    HB   ILE   6           HB       ILE   6   3.705   3.714   0.800
   37   HG12  ILE   6          HG12      ILE   6   6.071   4.342   0.504
   38   HG13  ILE   6          HG13      ILE   6   5.108   4.754  -0.910
   39   HG21  ILE   6          HG21      ILE   6   2.980   5.764  -0.642
   40   HG22  ILE   6          HG22      ILE   6   1.935   5.179   0.652
   41   HG23  ILE   6          HG23      ILE   6   2.949   6.599   0.911
   42   HD11  ILE   6          HD11      ILE   6   6.771   6.476  -0.239
   43   HD12  ILE   6          HD12      ILE   6   5.109   7.062  -0.321
   44   HD13  ILE   6          HD13      ILE   6   5.847   6.717   1.243
   45    H    THR   7           H        THR   7   3.406   2.657   2.933
   46    HA   THR   7           HA       THR   7   0.735   3.198   3.600
   47    HB   THR   7           HB       THR   7   1.605   0.951   2.957
   48    HG1  THR   7           HG1      THR   7   0.309   0.882   5.489
   49   HG21  THR   7          HG21      THR   7   2.534   0.750   5.819
   50   HG22  THR   7          HG22      THR   7   3.618   1.079   4.467
   51   HG23  THR   7          HG23      THR   7   2.727  -0.441   4.534
   52    H    ILE   8           H        ILE   8   3.656   3.234   5.503
   53    HA   ILE   8           HA       ILE   8   2.222   3.376   8.020
   54    HB   ILE   8           HB       ILE   8   4.421   3.585   9.060
   55   HG12  ILE   8          HG12      ILE   8   6.344   3.146   7.226
   56   HG13  ILE   8          HG13      ILE   8   5.233   4.104   6.253
   57   HG21  ILE   8          HG21      ILE   8   3.400   1.369   8.094
   58   HG22  ILE   8          HG22      ILE   8   4.806   1.438   7.032
   59   HG23  ILE   8          HG23      ILE   8   5.025   1.390   8.781
   60   HD11  ILE   8          HD11      ILE   8   7.012   4.912   8.406
   61   HD12  ILE   8          HD12      ILE   8   6.291   5.863   7.107
   62   HD13  ILE   8          HD13      ILE   8   5.373   5.539   8.577
   63    H    GLU   9           H        GLU   9   3.837   5.527   5.777
   64    HA   GLU   9           HA       GLU   9   4.017   7.790   7.445
   65    HB2  GLU   9           HB2      GLU   9   5.293   7.740   5.422
   66    HB3  GLU   9           HB3      GLU   9   3.848   7.510   4.446
   67    HG2  GLU   9           HG2      GLU   9   3.117   9.734   4.859
   68    HG3  GLU   9           HG3      GLU   9   4.367   9.980   6.078
   69    H    PHE  10           H        PHE  10   1.418   6.477   5.507
   70    HA   PHE  10           HA       PHE  10  -0.253   8.818   5.897
   71    HB2  PHE  10           HB2      PHE  10  -0.275   7.486   3.769
   72    HB3  PHE  10           HB3      PHE  10  -1.004   6.160   4.669
   73    HD1  PHE  10           HD1      PHE  10  -3.290   5.971   4.652
   74    HD2  PHE  10           HD2      PHE  10  -1.533   9.797   4.032
   75    HE1  PHE  10           HE1      PHE  10  -5.522   6.927   4.254
   76    HE2  PHE  10           HE2      PHE  10  -3.761  10.760   3.633
   77    HZ   PHE  10           HZ       PHE  10  -5.760   9.325   3.745
   78    H    SER  11           H        SER  11  -0.253   5.399   6.863
   79    HA   SER  11           HA       SER  11  -2.590   5.446   8.395
   80    HB2  SER  11           HB2      SER  11  -0.121   3.723   8.488
   81    HB3  SER  11           HB3      SER  11  -1.448   3.486   9.625
   82    HG   SER  11           HG       SER  11  -1.263   2.577   7.162
   83    H    SER  12           H        SER  12   0.610   6.593   9.080
   84    HA   SER  12           HA       SER  12   0.084   6.866  11.927
   85    HB2  SER  12           HB2      SER  12   2.343   6.204  11.039
   86    HB3  SER  12           HB3      SER  12   2.494   7.828  10.371
   87    HG   SER  12           HG       SER  12   2.687   6.961  12.986
   88    H    LYS  13           H        LYS  13   0.964   9.043   9.243
   89    HA   LYS  13           HA       LYS  13   0.635  11.455  10.568
   90    HB2  LYS  13           HB2      LYS  13   1.630  11.220   8.319
   91    HB3  LYS  13           HB3      LYS  13   0.037  10.871   7.661
   92    HG2  LYS  13           HG2      LYS  13   0.185  13.084   7.167
   93    HG3  LYS  13           HG3      LYS  13  -0.552  13.189   8.768
   94    HD2  LYS  13           HD2      LYS  13   2.424  13.182   8.516
   95    HD3  LYS  13           HD3      LYS  13   1.527  14.662   8.168
   96    HE2  LYS  13           HE2      LYS  13   0.375  14.172  10.451
   97    HE3  LYS  13           HE3      LYS  13   1.788  13.159  10.741
   98    HZ1  LYS  13           HZ1      LYS  13   1.962  15.501  11.555
   99    HZ2  LYS  13           HZ2      LYS  13   1.976  16.008   9.941
  100    HZ3  LYS  13           HZ3      LYS  13   3.214  15.015  10.527
  101    H    PHE  14           H        PHE  14  -1.768   9.478   8.886
  102    HA   PHE  14           HA       PHE  14  -3.868  11.159  10.090
  103    HB2  PHE  14           HB2      PHE  14  -3.546  11.157   7.493
  104    HB3  PHE  14           HB3      PHE  14  -4.345   9.590   7.579
  105    HD1  PHE  14           HD1      PHE  14  -6.670   9.416   8.288
  106    HD2  PHE  14           HD2      PHE  14  -4.742  13.192   7.910
  107    HE1  PHE  14           HE1      PHE  14  -8.860  10.534   8.329
  108    HE2  PHE  14           HE2      PHE  14  -6.931  14.316   7.952
  109    HZ   PHE  14           HZ       PHE  14  -8.993  12.987   8.160
  Start of MODEL   10
    1    H    MET   1           H        MET   1   1.765  -0.025   1.038
    2    HA   MET   1           HA       MET   1   1.505  -0.141  -1.891
    3    HB2  MET   1           HB2      MET   1   3.124   1.769  -0.224
    4    HB3  MET   1           HB3      MET   1   3.576   1.402  -1.883
    5    HG2  MET   1           HG2      MET   1   0.831   2.365  -1.162
    6    HG3  MET   1           HG3      MET   1   2.164   3.474  -1.475
    7    HE1  MET   1           HE1      MET   1  -0.722   3.110  -2.859
    8    HE2  MET   1           HE2      MET   1  -0.680   2.464  -4.500
    9    HE3  MET   1           HE3      MET   1  -0.677   1.366  -3.119
   10    H    GLU   2           H        GLU   2   2.153  -2.170   0.175
   11    HA   GLU   2           HA       GLU   2   3.610  -3.883   0.526
   12    HB2  GLU   2           HB2      GLU   2   4.729  -3.187  -2.189
   13    HB3  GLU   2           HB3      GLU   2   4.750  -4.753  -1.390
   14    HG2  GLU   2           HG2      GLU   2   2.196  -4.623  -1.484
   15    HG3  GLU   2           HG3      GLU   2   2.442  -3.324  -2.650
   16    H    ASN   3           H        ASN   3   4.391  -1.303   1.490
   17    HA   ASN   3           HA       ASN   3   7.270  -1.767   1.688
   18    HB2  ASN   3           HB2      ASN   3   5.969   0.775   0.748
   19    HB3  ASN   3           HB3      ASN   3   7.523   0.817   1.576
   20   HD21  ASN   3          HD21      ASN   3   5.982   0.492  -1.363
   21   HD22  ASN   3          HD22      ASN   3   7.314  -0.088  -2.298
   22    H    THR   4           H        THR   4   8.114   0.088   3.330
   23    HA   THR   4           HA       THR   4   6.200   0.269   5.553
   24    HB   THR   4           HB       THR   4   7.626  -1.668   6.009
   25    HG1  THR   4           HG1      THR   4   7.085   0.177   7.640
   26   HG21  THR   4          HG21      THR   4   9.662   0.005   4.926
   27   HG22  THR   4          HG22      THR   4   9.770  -1.688   5.408
   28   HG23  THR   4          HG23      THR   4  10.108  -0.414   6.580
   29    H    SER   5           H        SER   5   6.748   2.360   3.856
   30    HA   SER   5           HA       SER   5   8.096   4.208   5.675
   31    HB2  SER   5           HB2      SER   5   9.269   5.287   3.747
   32    HB3  SER   5           HB3      SER   5   9.844   3.657   4.096
   33    HG   SER   5           HG       SER   5   9.303   3.140   2.145
   34    H    ILE   6           H        ILE   6   6.443   4.040   2.519
   35    HA   ILE   6           HA       ILE   6   5.214   6.620   2.938
   36    HB   ILE   6           HB       ILE   6   4.683   4.618   0.741
   37   HG12  ILE   6          HG12      ILE   6   7.043   5.246   0.771
   38   HG13  ILE   6          HG13      ILE   6   6.235   5.986  -0.607
   39   HG21  ILE   6          HG21      ILE   6   4.320   7.307  -0.072
   40   HG22  ILE   6          HG22      ILE   6   3.114   6.027   0.058
   41   HG23  ILE   6          HG23      ILE   6   3.439   7.075   1.438
   42   HD11  ILE   6          HD11      ILE   6   7.730   7.571   0.383
   43   HD12  ILE   6          HD12      ILE   6   6.070   8.088   0.684
   44   HD13  ILE   6          HD13      ILE   6   7.004   7.327   1.972
   45    H    THR   7           H        THR   7   4.038   3.279   2.545
   46    HA   THR   7           HA       THR   7   1.332   3.798   3.002
   47    HB   THR   7           HB       THR   7   2.258   1.647   2.120
   48    HG1  THR   7           HG1      THR   7   0.324   1.864   4.126
   49   HG21  THR   7          HG21      THR   7   2.793   1.019   5.024
   50   HG22  THR   7          HG22      THR   7   4.045   1.422   3.848
   51   HG23  THR   7          HG23      THR   7   3.071  -0.033   3.637
   52    H    ILE   8           H        ILE   8   3.994   3.409   5.225
   53    HA   ILE   8           HA       ILE   8   2.263   3.213   7.541
   54    HB   ILE   8           HB       ILE   8   4.320   3.177   8.856
   55   HG12  ILE   8          HG12      ILE   8   6.435   2.950   7.181
   56   HG13  ILE   8          HG13      ILE   8   5.470   4.129   6.300
   57   HG21  ILE   8          HG21      ILE   8   4.976   1.039   8.268
   58   HG22  ILE   8          HG22      ILE   8   3.389   1.164   7.510
   59   HG23  ILE   8          HG23      ILE   8   4.847   1.364   6.539
   60   HD11  ILE   8          HD11      ILE   8   5.516   4.918   9.014
   61   HD12  ILE   8          HD12      ILE   8   7.168   4.532   8.530
   62   HD13  ILE   8          HD13      ILE   8   6.236   5.721   7.619
   63    H    GLU   9           H        GLU   9   4.191   5.629   5.890
   64    HA   GLU   9           HA       GLU   9   4.181   7.592   7.916
   65    HB2  GLU   9           HB2      GLU   9   5.730   7.812   6.108
   66    HB3  GLU   9           HB3      GLU   9   4.438   7.790   4.916
   67    HG2  GLU   9           HG2      GLU   9   3.650   9.944   5.677
   68    HG3  GLU   9           HG3      GLU   9   4.863   9.961   6.956
   69    H    PHE  10           H        PHE  10   1.860   6.705   5.452
   70    HA   PHE  10           HA       PHE  10   0.194   9.022   5.974
   71    HB2  PHE  10           HB2      PHE  10   0.331   8.205   3.686
   72    HB3  PHE  10           HB3      PHE  10  -0.228   6.614   4.193
   73    HD1  PHE  10           HD1      PHE  10  -2.555   6.237   4.772
   74    HD2  PHE  10           HD2      PHE  10  -1.195  10.051   3.459
   75    HE1  PHE  10           HE1      PHE  10  -4.883   6.927   4.375
   76    HE2  PHE  10           HE2      PHE  10  -3.521  10.747   3.061
   77    HZ   PHE  10           HZ       PHE  10  -5.369   9.185   3.520
   78    H    SER  11           H        SER  11  -0.031   5.496   6.368
   79    HA   SER  11           HA       SER  11  -2.550   5.424   7.578
   80    HB2  SER  11           HB2      SER  11  -1.069   3.483   6.707
   81    HB3  SER  11           HB3      SER  11  -0.358   3.499   8.321
   82    HG   SER  11           HG       SER  11  -2.808   2.596   7.490
   83    H    SER  12           H        SER  12   0.560   6.288   8.839
   84    HA   SER  12           HA       SER  12  -0.298   6.102  11.606
   85    HB2  SER  12           HB2      SER  12   2.019   5.532  11.048
   86    HB3  SER  12           HB3      SER  12   2.275   7.152  10.401
   87    HG   SER  12           HG       SER  12   2.798   7.672  12.359
   88    H    LYS  13           H        LYS  13   0.797   8.682   9.406
   89    HA   LYS  13           HA       LYS  13   0.334  10.843  11.095
   90    HB2  LYS  13           HB2      LYS  13   0.443  10.515   8.123
   91    HB3  LYS  13           HB3      LYS  13  -0.078  12.054   8.796
   92    HG2  LYS  13           HG2      LYS  13   2.091  11.918  10.189
   93    HG3  LYS  13           HG3      LYS  13   2.586  10.712   8.999
   94    HD2  LYS  13           HD2      LYS  13   1.503  13.330   8.061
   95    HD3  LYS  13           HD3      LYS  13   3.163  13.247   8.654
   96    HE2  LYS  13           HE2      LYS  13   3.856  11.908   6.926
   97    HE3  LYS  13           HE3      LYS  13   2.255  11.215   6.678
   98    HZ1  LYS  13           HZ1      LYS  13   3.335  13.047   5.079
   99    HZ2  LYS  13           HZ2      LYS  13   2.490  14.056   6.142
  100    HZ3  LYS  13           HZ3      LYS  13   1.666  12.855   5.281
  101    H    PHE  14           H        PHE  14  -1.832   9.434   8.645
  102    HA   PHE  14           HA       PHE  14  -4.116  10.406  10.193
  103    HB2  PHE  14           HB2      PHE  14  -3.334  11.320   7.510
  104    HB3  PHE  14           HB3      PHE  14  -5.014  10.810   7.639
  105    HD1  PHE  14           HD1      PHE  14  -6.593  12.049   8.958
  106    HD2  PHE  14           HD2      PHE  14  -2.505  13.221   8.778
  107    HE1  PHE  14           HE1      PHE  14  -7.175  14.220   9.957
  108    HE2  PHE  14           HE2      PHE  14  -3.081  15.395   9.778
  109    HZ   PHE  14           HZ       PHE  14  -5.419  15.897  10.367
  Start of MODEL   11
    1    H    MET   1           H        MET   1   1.998  -0.035   0.714
    2    HA   MET   1           HA       MET   1   1.828  -0.304  -2.215
    3    HB2  MET   1           HB2      MET   1   3.352   1.663  -0.547
    4    HB3  MET   1           HB3      MET   1   3.979   1.183  -2.118
    5    HG2  MET   1           HG2      MET   1   2.783   3.009  -2.731
    6    HG3  MET   1           HG3      MET   1   1.534   1.777  -2.892
    7    HE1  MET   1           HE1      MET   1   1.137   5.374  -1.969
    8    HE2  MET   1           HE2      MET   1   0.487   4.173  -3.085
    9    HE3  MET   1           HE3      MET   1  -0.499   4.756  -1.743
   10    H    GLU   2           H        GLU   2   2.380  -2.274  -0.057
   11    HA   GLU   2           HA       GLU   2   3.758  -4.042   0.326
   12    HB2  GLU   2           HB2      GLU   2   5.115  -3.309  -2.267
   13    HB3  GLU   2           HB3      GLU   2   5.051  -4.890  -1.501
   14    HG2  GLU   2           HG2      GLU   2   2.665  -5.022  -1.919
   15    HG3  GLU   2           HG3      GLU   2   2.687  -3.412  -2.636
   16    H    ASN   3           H        ASN   3   4.514  -1.312   1.190
   17    HA   ASN   3           HA       ASN   3   7.344  -1.879   1.721
   18    HB2  ASN   3           HB2      ASN   3   6.171   0.655   0.620
   19    HB3  ASN   3           HB3      ASN   3   7.619   0.715   1.620
   20   HD21  ASN   3          HD21      ASN   3   6.404   0.279  -1.470
   21   HD22  ASN   3          HD22      ASN   3   7.844  -0.294  -2.235
   22    H    THR   4           H        THR   4   8.094  -0.095   3.440
   23    HA   THR   4           HA       THR   4   5.986   0.175   5.472
   24    HB   THR   4           HB       THR   4   7.288  -1.797   6.078
   25    HG1  THR   4           HG1      THR   4   8.183  -0.819   8.139
   26   HG21  THR   4          HG21      THR   4   9.402  -1.715   5.233
   27   HG22  THR   4          HG22      THR   4   9.751  -1.107   6.852
   28   HG23  THR   4          HG23      THR   4   9.562   0.019   5.508
   29    H    SER   5           H        SER   5   6.673   2.261   3.878
   30    HA   SER   5           HA       SER   5   7.961   4.058   5.787
   31    HB2  SER   5           HB2      SER   5   9.318   5.107   4.001
   32    HB3  SER   5           HB3      SER   5   9.769   3.424   4.272
   33    HG   SER   5           HG       SER   5   9.585   3.761   2.072
   34    H    ILE   6           H        ILE   6   6.480   3.934   2.546
   35    HA   ILE   6           HA       ILE   6   5.322   6.555   2.872
   36    HB   ILE   6           HB       ILE   6   4.749   4.541   0.699
   37   HG12  ILE   6          HG12      ILE   6   7.164   4.999   0.854
   38   HG13  ILE   6          HG13      ILE   6   6.473   5.680  -0.615
   39   HG21  ILE   6          HG21      ILE   6   3.163   6.095   0.294
   40   HG22  ILE   6          HG22      ILE   6   4.009   7.350   1.196
   41   HG23  ILE   6          HG23      ILE   6   4.507   6.961  -0.450
   42   HD11  ILE   6          HD11      ILE   6   8.015   7.246   0.321
   43   HD12  ILE   6          HD12      ILE   6   6.381   7.880   0.520
   44   HD13  ILE   6          HD13      ILE   6   7.220   7.159   1.893
   45    H    THR   7           H        THR   7   4.052   3.244   2.547
   46    HA   THR   7           HA       THR   7   1.345   3.891   2.893
   47    HB   THR   7           HB       THR   7   2.119   1.709   2.030
   48    HG1  THR   7           HG1      THR   7   0.615   1.223   4.380
   49   HG21  THR   7          HG21      THR   7   2.826   1.113   4.906
   50   HG22  THR   7          HG22      THR   7   3.991   1.390   3.611
   51   HG23  THR   7          HG23      THR   7   2.919  -0.008   3.549
   52    H    ILE   8           H        ILE   8   3.915   3.311   5.202
   53    HA   ILE   8           HA       ILE   8   2.127   3.210   7.466
   54    HB   ILE   8           HB       ILE   8   4.140   3.118   8.834
   55   HG12  ILE   8          HG12      ILE   8   6.313   2.887   7.252
   56   HG13  ILE   8          HG13      ILE   8   5.393   4.062   6.318
   57   HG21  ILE   8          HG21      ILE   8   4.906   0.996   8.154
   58   HG22  ILE   8          HG22      ILE   8   3.244   1.106   7.578
   59   HG23  ILE   8          HG23      ILE   8   4.583   1.337   6.455
   60   HD11  ILE   8          HD11      ILE   8   6.309   5.602   7.623
   61   HD12  ILE   8          HD12      ILE   8   5.239   5.018   8.898
   62   HD13  ILE   8          HD13      ILE   8   6.884   4.396   8.774
   63    H    GLU   9           H        GLU   9   4.131   5.586   5.853
   64    HA   GLU   9           HA       GLU   9   4.128   7.551   7.875
   65    HB2  GLU   9           HB2      GLU   9   5.702   7.743   6.087
   66    HB3  GLU   9           HB3      GLU   9   4.425   7.741   4.879
   67    HG2  GLU   9           HG2      GLU   9   3.677   9.910   5.586
   68    HG3  GLU   9           HG3      GLU   9   4.819   9.907   6.929
   69    H    PHE  10           H        PHE  10   1.819   6.700   5.388
   70    HA   PHE  10           HA       PHE  10   0.193   9.050   5.869
   71    HB2  PHE  10           HB2      PHE  10   0.517   7.764   3.621
   72    HB3  PHE  10           HB3      PHE  10  -0.710   6.680   4.267
   73    HD1  PHE  10           HD1      PHE  10  -2.997   7.342   4.414
   74    HD2  PHE  10           HD2      PHE  10  -0.023  10.105   3.135
   75    HE1  PHE  10           HE1      PHE  10  -4.759   8.872   3.636
   76    HE2  PHE  10           HE2      PHE  10  -1.780  11.641   2.356
   77    HZ   PHE  10           HZ       PHE  10  -4.152  11.025   2.605
   78    H    SER  11           H        SER  11   0.139   5.605   6.595
   79    HA   SER  11           HA       SER  11  -2.472   5.545   7.694
   80    HB2  SER  11           HB2      SER  11  -0.136   3.723   7.612
   81    HB3  SER  11           HB3      SER  11  -1.272   3.467   8.936
   82    HG   SER  11           HG       SER  11  -1.611   3.113   6.202
   83    H    SER  12           H        SER  12   0.622   6.488   8.938
   84    HA   SER  12           HA       SER  12  -0.271   6.435  11.702
   85    HB2  SER  12           HB2      SER  12   1.932   6.721  12.296
   86    HB3  SER  12           HB3      SER  12   2.158   6.006  10.700
   87    HG   SER  12           HG       SER  12   2.538   8.639  11.549
   88    H    LYS  13           H        LYS  13   0.587   8.821   9.231
   89    HA   LYS  13           HA       LYS  13   0.378  11.142  10.732
   90    HB2  LYS  13           HB2      LYS  13   1.208  11.095   8.425
   91    HB3  LYS  13           HB3      LYS  13  -0.408  10.716   7.842
   92    HG2  LYS  13           HG2      LYS  13  -1.204  12.846   8.266
   93    HG3  LYS  13           HG3      LYS  13   0.072  13.200   9.433
   94    HD2  LYS  13           HD2      LYS  13   0.603  14.450   7.502
   95    HD3  LYS  13           HD3      LYS  13   1.694  13.063   7.488
   96    HE2  LYS  13           HE2      LYS  13   0.963  13.094   5.304
   97    HE3  LYS  13           HE3      LYS  13  -0.177  11.967   6.038
   98    HZ1  LYS  13           HZ1      LYS  13  -1.598  14.067   6.388
   99    HZ2  LYS  13           HZ2      LYS  13  -1.534  13.379   4.844
  100    HZ3  LYS  13           HZ3      LYS  13  -0.616  14.756   5.195
  101    H    PHE  14           H        PHE  14  -2.169   9.370   9.009
  102    HA   PHE  14           HA       PHE  14  -4.144  10.675  10.736
  103    HB2  PHE  14           HB2      PHE  14  -4.273  11.948   8.702
  104    HB3  PHE  14           HB3      PHE  14  -4.293  10.484   7.725
  105    HD1  PHE  14           HD1      PHE  14  -6.318  10.368   6.644
  106    HD2  PHE  14           HD2      PHE  14  -6.227  11.475  10.753
  107    HE1  PHE  14           HE1      PHE  14  -8.778  10.367   6.696
  108    HE2  PHE  14           HE2      PHE  14  -8.686  11.475  10.811
  109    HZ   PHE  14           HZ       PHE  14  -9.966  10.920   8.782
  Start of MODEL   12
    1    H    MET   1           H        MET   1   1.431   0.689  -0.486
    2    HA   MET   1           HA       MET   1   2.579   0.467  -2.455
    3    HB2  MET   1           HB2      MET   1   3.889   2.559  -1.334
    4    HB3  MET   1           HB3      MET   1   5.188   1.376  -1.408
    5    HG2  MET   1           HG2      MET   1   4.174   1.133  -3.892
    6    HG3  MET   1           HG3      MET   1   3.818   2.827  -3.565
    7    HE1  MET   1           HE1      MET   1   6.636   1.264  -5.700
    8    HE2  MET   1           HE2      MET   1   5.170   2.236  -5.830
    9    HE3  MET   1           HE3      MET   1   6.753   3.012  -5.904
   10    H    GLU   2           H        GLU   2   2.516  -1.448  -0.197
   11    HA   GLU   2           HA       GLU   2   3.292  -3.534   0.271
   12    HB2  GLU   2           HB2      GLU   2   4.998  -3.317  -2.205
   13    HB3  GLU   2           HB3      GLU   2   4.379  -4.776  -1.444
   14    HG2  GLU   2           HG2      GLU   2   2.055  -3.802  -1.982
   15    HG3  GLU   2           HG3      GLU   2   2.928  -2.755  -3.100
   16    H    ASN   3           H        ASN   3   4.729  -1.086   1.138
   17    HA   ASN   3           HA       ASN   3   7.193  -2.419   1.980
   18    HB2  ASN   3           HB2      ASN   3   7.009   0.200   0.526
   19    HB3  ASN   3           HB3      ASN   3   8.307  -0.073   1.685
   20   HD21  ASN   3          HD21      ASN   3   7.070  -0.779  -1.431
   21   HD22  ASN   3          HD22      ASN   3   8.388  -1.752  -1.979
   22    H    THR   4           H        THR   4   8.347  -0.720   3.587
   23    HA   THR   4           HA       THR   4   6.247   0.081   5.492
   24    HB   THR   4           HB       THR   4   7.510  -1.689   6.465
   25    HG1  THR   4           HG1      THR   4   7.200  -0.166   8.017
   26   HG21  THR   4          HG21      THR   4   9.727  -0.424   5.065
   27   HG22  THR   4          HG22      THR   4   9.542  -2.090   5.614
   28   HG23  THR   4          HG23      THR   4  10.131  -0.855   6.726
   29    H    SER   5           H        SER   5   6.332   2.096   4.084
   30    HA   SER   5           HA       SER   5   7.878   4.083   5.477
   31    HB2  SER   5           HB2      SER   5   9.630   3.867   4.020
   32    HB3  SER   5           HB3      SER   5   8.621   3.190   2.741
   33    HG   SER   5           HG       SER   5   8.209   5.142   2.015
   34    H    ILE   6           H        ILE   6   6.014   3.525   2.492
   35    HA   ILE   6           HA       ILE   6   4.770   6.125   2.676
   36    HB   ILE   6           HB       ILE   6   4.195   3.832   0.795
   37   HG12  ILE   6          HG12      ILE   6   5.756   6.373   0.294
   38   HG13  ILE   6          HG13      ILE   6   6.499   4.821   0.663
   39   HG21  ILE   6          HG21      ILE   6   3.282   5.880  -0.561
   40   HG22  ILE   6          HG22      ILE   6   2.278   5.085   0.650
   41   HG23  ILE   6          HG23      ILE   6   3.103   6.594   1.041
   42   HD11  ILE   6          HD11      ILE   6   4.598   4.708  -1.543
   43   HD12  ILE   6          HD12      ILE   6   5.971   5.776  -1.834
   44   HD13  ILE   6          HD13      ILE   6   6.243   4.083  -1.422
   45    H    THR   7           H        THR   7   3.609   2.756   2.771
   46    HA   THR   7           HA       THR   7   0.948   3.301   3.389
   47    HB   THR   7           HB       THR   7   1.800   1.066   2.716
   48    HG1  THR   7           HG1      THR   7   0.023   0.337   3.594
   49   HG21  THR   7          HG21      THR   7   2.706   0.832   5.587
   50   HG22  THR   7          HG22      THR   7   3.789   1.079   4.217
   51   HG23  THR   7          HG23      THR   7   2.830  -0.397   4.329
   52    H    ILE   8           H        ILE   8   3.780   3.185   5.437
   53    HA   ILE   8           HA       ILE   8   2.241   3.283   7.885
   54    HB   ILE   8           HB       ILE   8   4.412   3.480   9.015
   55   HG12  ILE   8          HG12      ILE   8   6.337   2.973   7.140
   56   HG13  ILE   8          HG13      ILE   8   5.290   4.092   6.273
   57   HG21  ILE   8          HG21      ILE   8   4.835   1.329   7.003
   58   HG22  ILE   8          HG22      ILE   8   4.969   1.275   8.760
   59   HG23  ILE   8          HG23      ILE   8   3.379   1.284   7.998
   60   HD11  ILE   8          HD11      ILE   8   6.577   5.640   7.251
   61   HD12  ILE   8          HD12      ILE   8   5.524   5.364   8.639
   62   HD13  ILE   8          HD13      ILE   8   7.088   4.553   8.542
   63    H    GLU   9           H        GLU   9   4.012   5.498   5.815
   64    HA   GLU   9           HA       GLU   9   4.081   7.702   7.569
   65    HB2  GLU   9           HB2      GLU   9   5.503   7.713   5.647
   66    HB3  GLU   9           HB3      GLU   9   4.135   7.522   4.558
   67    HG2  GLU   9           HG2      GLU   9   3.538   9.717   4.692
   68    HG3  GLU   9           HG3      GLU   9   4.203   9.915   6.312
   69    H    PHE  10           H        PHE  10   1.639   6.508   5.356
   70    HA   PHE  10           HA       PHE  10  -0.040   8.839   5.663
   71    HB2  PHE  10           HB2      PHE  10   0.126   7.285   3.598
   72    HB3  PHE  10           HB3      PHE  10  -0.937   6.213   4.504
   73    HD1  PHE  10           HD1      PHE  10  -3.245   6.592   4.585
   74    HD2  PHE  10           HD2      PHE  10  -0.657   9.626   3.099
   75    HE1  PHE  10           HE1      PHE  10  -5.197   7.872   3.810
   76    HE2  PHE  10           HE2      PHE  10  -2.605  10.912   2.322
   77    HZ   PHE  10           HZ       PHE  10  -4.879  10.036   2.677
   78    H    SER  11           H        SER  11  -0.083   5.458   6.735
   79    HA   SER  11           HA       SER  11  -2.525   5.605   8.139
   80    HB2  SER  11           HB2      SER  11  -0.228   3.718   8.043
   81    HB3  SER  11           HB3      SER  11  -1.288   3.619   9.448
   82    HG   SER  11           HG       SER  11  -1.704   2.643   7.026
   83    H    SER  12           H        SER  12   0.705   6.575   8.933
   84    HA   SER  12           HA       SER  12   0.220   6.756  11.771
   85    HB2  SER  12           HB2      SER  12   2.461   7.611  11.931
   86    HB3  SER  12           HB3      SER  12   2.481   6.290  10.764
   87    HG   SER  12           HG       SER  12   2.491   7.811   9.103
   88    H    LYS  13           H        LYS  13   0.677   9.069   9.109
   89    HA   LYS  13           HA       LYS  13   0.371  11.424  10.546
   90    HB2  LYS  13           HB2      LYS  13   1.039  11.133   8.104
   91    HB3  LYS  13           HB3      LYS  13  -0.680  11.018   7.748
   92    HG2  LYS  13           HG2      LYS  13  -0.292  13.239   7.360
   93    HG3  LYS  13           HG3      LYS  13  -0.806  13.279   9.048
   94    HD2  LYS  13           HD2      LYS  13   1.085  14.586   9.134
   95    HD3  LYS  13           HD3      LYS  13   1.759  12.999   9.515
   96    HE2  LYS  13           HE2      LYS  13   2.019  12.889   6.883
   97    HE3  LYS  13           HE3      LYS  13   2.022  14.643   7.051
   98    HZ1  LYS  13           HZ1      LYS  13   3.722  13.682   9.003
   99    HZ2  LYS  13           HZ2      LYS  13   4.153  14.491   7.582
  100    HZ3  LYS  13           HZ3      LYS  13   4.096  12.800   7.609
  101    H    PHE  14           H        PHE  14  -2.116   9.457   8.942
  102    HA   PHE  14           HA       PHE  14  -4.088  10.403  10.843
  103    HB2  PHE  14           HB2      PHE  14  -4.101  11.158   7.955
  104    HB3  PHE  14           HB3      PHE  14  -5.641  10.801   8.730
  105    HD1  PHE  14           HD1      PHE  14  -5.880  11.986  11.132
  106    HD2  PHE  14           HD2      PHE  14  -3.453  13.348   7.912
  107    HE1  PHE  14           HE1      PHE  14  -5.945  14.266  12.052
  108    HE2  PHE  14           HE2      PHE  14  -3.514  15.631   8.828
  109    HZ   PHE  14           HZ       PHE  14  -4.762  16.093  10.900
  Start of MODEL   13
    1    H    MET   1           H        MET   1   2.051   0.099   0.360
    2    HA   MET   1           HA       MET   1   1.949  -0.613  -2.488
    3    HB2  MET   1           HB2      MET   1   3.867   1.359  -1.234
    4    HB3  MET   1           HB3      MET   1   3.946   0.784  -2.894
    5    HG2  MET   1           HG2      MET   1   1.518   1.695  -3.043
    6    HG3  MET   1           HG3      MET   1   1.980   2.629  -1.622
    7    HE1  MET   1           HE1      MET   1   1.008   3.043  -4.542
    8    HE2  MET   1           HE2      MET   1   1.671   4.640  -4.889
    9    HE3  MET   1           HE3      MET   1   2.262   3.229  -5.768
   10    H    GLU   2           H        GLU   2   2.254  -2.242  -0.093
   11    HA   GLU   2           HA       GLU   2   3.523  -3.949   0.716
   12    HB2  GLU   2           HB2      GLU   2   4.943  -3.762  -1.945
   13    HB3  GLU   2           HB3      GLU   2   4.891  -5.158  -0.877
   14    HG2  GLU   2           HG2      GLU   2   2.449  -3.959  -2.154
   15    HG3  GLU   2           HG3      GLU   2   3.386  -5.268  -2.873
   16    H    ASN   3           H        ASN   3   4.428  -1.156   1.097
   17    HA   ASN   3           HA       ASN   3   7.279  -1.703   1.602
   18    HB2  ASN   3           HB2      ASN   3   5.906   0.740   0.569
   19    HB3  ASN   3           HB3      ASN   3   7.330   0.947   1.584
   20   HD21  ASN   3          HD21      ASN   3   6.186   0.340  -1.516
   21   HD22  ASN   3          HD22      ASN   3   7.689  -0.068  -2.265
   22    H    THR   4           H        THR   4   8.057   0.085   3.310
   23    HA   THR   4           HA       THR   4   6.087   0.218   5.486
   24    HB   THR   4           HB       THR   4   7.503  -1.734   5.928
   25    HG1  THR   4           HG1      THR   4   6.854  -0.631   7.759
   26   HG21  THR   4          HG21      THR   4   9.747  -1.766   5.734
   27   HG22  THR   4          HG22      THR   4   9.929  -0.172   6.465
   28   HG23  THR   4          HG23      THR   4   9.517  -0.316   4.757
   29    H    SER   5           H        SER   5   6.709   2.339   3.835
   30    HA   SER   5           HA       SER   5   7.989   4.148   5.740
   31    HB2  SER   5           HB2      SER   5   9.865   4.037   4.437
   32    HB3  SER   5           HB3      SER   5   8.969   3.529   3.005
   33    HG   SER   5           HG       SER   5   9.133   6.148   4.085
   34    H    ILE   6           H        ILE   6   6.422   4.003   2.542
   35    HA   ILE   6           HA       ILE   6   5.225   6.604   2.910
   36    HB   ILE   6           HB       ILE   6   4.779   4.559   0.731
   37   HG12  ILE   6          HG12      ILE   6   7.097   5.390   0.836
   38   HG13  ILE   6          HG13      ILE   6   6.271   5.960  -0.610
   39   HG21  ILE   6          HG21      ILE   6   3.962   7.453   0.935
   40   HG22  ILE   6          HG22      ILE   6   3.861   6.482  -0.533
   41   HG23  ILE   6          HG23      ILE   6   2.896   6.049   0.878
   42   HD11  ILE   6          HD11      ILE   6   7.602   7.468   1.372
   43   HD12  ILE   6          HD12      ILE   6   6.772   8.041  -0.075
   44   HD13  ILE   6          HD13      ILE   6   5.889   7.879   1.443
   45    H    THR   7           H        THR   7   4.038   3.260   2.632
   46    HA   THR   7           HA       THR   7   1.319   3.847   3.030
   47    HB   THR   7           HB       THR   7   2.168   1.682   2.144
   48    HG1  THR   7           HG1      THR   7   0.042   2.073   3.368
   49   HG21  THR   7          HG21      THR   7   3.049   0.003   3.587
   50   HG22  THR   7          HG22      THR   7   2.740   0.982   5.021
   51   HG23  THR   7          HG23      THR   7   3.989   1.465   3.875
   52    H    ILE   8           H        ILE   8   3.964   3.392   5.263
   53    HA   ILE   8           HA       ILE   8   2.230   3.219   7.574
   54    HB   ILE   8           HB       ILE   8   4.275   3.156   8.894
   55   HG12  ILE   8          HG12      ILE   8   6.418   2.975   7.271
   56   HG13  ILE   8          HG13      ILE   8   5.456   4.126   6.349
   57   HG21  ILE   8          HG21      ILE   8   4.850   1.385   6.558
   58   HG22  ILE   8          HG22      ILE   8   4.934   1.031   8.283
   59   HG23  ILE   8          HG23      ILE   8   3.367   1.166   7.487
   60   HD11  ILE   8          HD11      ILE   8   6.504   5.633   7.628
   61   HD12  ILE   8          HD12      ILE   8   5.284   5.193   8.823
   62   HD13  ILE   8          HD13      ILE   8   6.885   4.457   8.886
   63    H    GLU   9           H        GLU   9   4.146   5.633   5.914
   64    HA   GLU   9           HA       GLU   9   4.124   7.593   7.954
   65    HB2  GLU   9           HB2      GLU   9   5.722   7.813   6.196
   66    HB3  GLU   9           HB3      GLU   9   4.468   7.776   4.964
   67    HG2  GLU   9           HG2      GLU   9   5.293  10.018   5.221
   68    HG3  GLU   9           HG3      GLU   9   3.624   9.932   5.781
   69    H    PHE  10           H        PHE  10   1.846   6.693   5.466
   70    HA   PHE  10           HA       PHE  10   0.199   9.038   5.874
   71    HB2  PHE  10           HB2      PHE  10   0.187   6.706   4.035
   72    HB3  PHE  10           HB3      PHE  10  -1.371   7.447   4.386
   73    HD1  PHE  10           HD1      PHE  10  -2.036   8.772   2.639
   74    HD2  PHE  10           HD2      PHE  10   2.052   8.822   3.823
   75    HE1  PHE  10           HE1      PHE  10  -1.578  10.522   0.972
   76    HE2  PHE  10           HE2      PHE  10   2.517  10.573   2.158
   77    HZ   PHE  10           HZ       PHE  10   0.701  11.425   0.729
   78    H    SER  11           H        SER  11  -0.086   5.540   6.449
   79    HA   SER  11           HA       SER  11  -2.606   5.585   7.666
   80    HB2  SER  11           HB2      SER  11  -1.819   3.462   7.022
   81    HB3  SER  11           HB3      SER  11  -0.275   3.687   7.844
   82    HG   SER  11           HG       SER  11  -2.780   3.010   8.899
   83    H    SER  12           H        SER  12   0.570   6.302   8.912
   84    HA   SER  12           HA       SER  12  -0.268   6.275  11.674
   85    HB2  SER  12           HB2      SER  12   2.288   7.135  10.310
   86    HB3  SER  12           HB3      SER  12   2.037   7.264  12.050
   87    HG   SER  12           HG       SER  12   2.996   5.223  10.915
   88    H    LYS  13           H        LYS  13   0.735   8.770   9.341
   89    HA   LYS  13           HA       LYS  13   0.376  11.004  10.948
   90    HB2  LYS  13           HB2      LYS  13   0.315  10.515   8.006
   91    HB3  LYS  13           HB3      LYS  13  -0.257  12.069   8.598
   92    HG2  LYS  13           HG2      LYS  13   2.379  11.044   9.533
   93    HG3  LYS  13           HG3      LYS  13   2.241  11.734   7.914
   94    HD2  LYS  13           HD2      LYS  13   1.137  13.210  10.270
   95    HD3  LYS  13           HD3      LYS  13   2.868  13.265   9.926
   96    HE2  LYS  13           HE2      LYS  13   2.165  13.905   7.540
   97    HE3  LYS  13           HE3      LYS  13   0.580  14.231   8.240
   98    HZ1  LYS  13           HZ1      LYS  13   1.396  16.244   8.665
   99    HZ2  LYS  13           HZ2      LYS  13   2.997  15.769   8.399
  100    HZ3  LYS  13           HZ3      LYS  13   2.282  15.520   9.911
  101    H    PHE  14           H        PHE  14  -1.970   9.436   8.781
  102    HA   PHE  14           HA       PHE  14  -4.107  10.890  10.196
  103    HB2  PHE  14           HB2      PHE  14  -4.022  11.584   7.881
  104    HB3  PHE  14           HB3      PHE  14  -4.017   9.910   7.338
  105    HD1  PHE  14           HD1      PHE  14  -5.984   9.187   6.430
  106    HD2  PHE  14           HD2      PHE  14  -6.106  12.040   9.587
  107    HE1  PHE  14           HE1      PHE  14  -8.441   9.222   6.300
  108    HE2  PHE  14           HE2      PHE  14  -8.562  12.079   9.462
  109    HZ   PHE  14           HZ       PHE  14  -9.733  10.668   7.818
  Start of MODEL   14
    1    H    MET   1           H        MET   1   1.560   0.487   0.632
    2    HA   MET   1           HA       MET   1   1.029  -0.559  -2.068
    3    HB2  MET   1           HB2      MET   1   2.892   1.666  -1.254
    4    HB3  MET   1           HB3      MET   1   3.071   0.802  -2.776
    5    HG2  MET   1           HG2      MET   1   0.815   1.485  -3.425
    6    HG3  MET   1           HG3      MET   1   0.649   2.361  -1.905
    7    HE1  MET   1           HE1      MET   1   2.484   1.799  -5.053
    8    HE2  MET   1           HE2      MET   1   1.632   3.186  -5.730
    9    HE3  MET   1           HE3      MET   1   3.367   3.280  -5.424
   10    H    GLU   2           H        GLU   2   1.794  -1.894   0.443
   11    HA   GLU   2           HA       GLU   2   3.213  -3.514   1.177
   12    HB2  GLU   2           HB2      GLU   2   4.174  -3.582  -1.687
   13    HB3  GLU   2           HB3      GLU   2   4.338  -4.861  -0.492
   14    HG2  GLU   2           HG2      GLU   2   1.692  -3.831  -1.476
   15    HG3  GLU   2           HG3      GLU   2   2.535  -5.208  -2.183
   16    H    ASN   3           H        ASN   3   4.116  -1.135   1.891
   17    HA   ASN   3           HA       ASN   3   7.021  -1.371   1.535
   18    HB2  ASN   3           HB2      ASN   3   5.351   1.122   1.257
   19    HB3  ASN   3           HB3      ASN   3   7.067   1.195   1.649
   20   HD21  ASN   3          HD21      ASN   3   4.829   1.146  -0.802
   21   HD22  ASN   3          HD22      ASN   3   5.879   0.764  -2.121
   22    H    THR   4           H        THR   4   7.995   0.438   3.188
   23    HA   THR   4           HA       THR   4   6.580   0.208   5.746
   24    HB   THR   4           HB       THR   4   8.208  -1.671   5.600
   25    HG1  THR   4           HG1      THR   4   8.042  -1.249   7.678
   26   HG21  THR   4          HG21      THR   4  10.598  -0.187   6.100
   27   HG22  THR   4          HG22      THR   4   9.902   0.347   4.570
   28   HG23  THR   4          HG23      THR   4  10.272  -1.358   4.824
   29    H    SER   5           H        SER   5   6.959   2.445   3.974
   30    HA   SER   5           HA       SER   5   8.218   4.265   5.864
   31    HB2  SER   5           HB2      SER   5   9.135   3.890   3.020
   32    HB3  SER   5           HB3      SER   5   9.367   5.422   3.862
   33    HG   SER   5           HG       SER   5  10.932   3.362   3.973
   34    H    ILE   6           H        ILE   6   6.732   4.104   2.628
   35    HA   ILE   6           HA       ILE   6   5.453   6.667   2.994
   36    HB   ILE   6           HB       ILE   6   5.028   4.664   0.776
   37   HG12  ILE   6          HG12      ILE   6   6.918   7.025   0.890
   38   HG13  ILE   6          HG13      ILE   6   7.399   5.334   0.981
   39   HG21  ILE   6          HG21      ILE   6   3.285   6.410   1.055
   40   HG22  ILE   6          HG22      ILE   6   4.531   7.636   0.823
   41   HG23  ILE   6          HG23      ILE   6   4.145   6.512  -0.481
   42   HD11  ILE   6          HD11      ILE   6   7.807   5.930  -1.225
   43   HD12  ILE   6          HD12      ILE   6   6.255   5.094  -1.296
   44   HD13  ILE   6          HD13      ILE   6   6.311   6.855  -1.352
   45    H    THR   7           H        THR   7   4.355   3.304   2.597
   46    HA   THR   7           HA       THR   7   1.616   3.799   2.927
   47    HB   THR   7           HB       THR   7   2.577   1.666   2.061
   48    HG1  THR   7           HG1      THR   7   0.389   1.813   2.859
   49   HG21  THR   7          HG21      THR   7   4.333   1.450   3.822
   50   HG22  THR   7          HG22      THR   7   3.382  -0.016   3.581
   51   HG23  THR   7          HG23      THR   7   3.065   1.023   4.970
   52    H    ILE   8           H        ILE   8   4.196   3.408   5.248
   53    HA   ILE   8           HA       ILE   8   2.385   3.172   7.496
   54    HB   ILE   8           HB       ILE   8   4.403   3.183   8.884
   55   HG12  ILE   8          HG12      ILE   8   6.555   2.960   7.231
   56   HG13  ILE   8          HG13      ILE   8   5.602   4.166   6.373
   57   HG21  ILE   8          HG21      ILE   8   5.068   1.355   6.626
   58   HG22  ILE   8          HG22      ILE   8   5.050   1.042   8.361
   59   HG23  ILE   8          HG23      ILE   8   3.532   1.160   7.470
   60   HD11  ILE   8          HD11      ILE   8   6.689   5.603   7.696
   61   HD12  ILE   8          HD12      ILE   8   5.492   5.124   8.899
   62   HD13  ILE   8          HD13      ILE   8   7.085   4.367   8.889
   63    H    GLU   9           H        GLU   9   4.318   5.640   5.931
   64    HA   GLU   9           HA       GLU   9   4.182   7.585   7.975
   65    HB2  GLU   9           HB2      GLU   9   5.818   7.858   6.260
   66    HB3  GLU   9           HB3      GLU   9   4.598   7.799   4.996
   67    HG2  GLU   9           HG2      GLU   9   5.360  10.059   5.290
   68    HG3  GLU   9           HG3      GLU   9   3.679   9.927   5.804
   69    H    PHE  10           H        PHE  10   1.996   6.659   5.411
   70    HA   PHE  10           HA       PHE  10   0.270   8.950   5.847
   71    HB2  PHE  10           HB2      PHE  10   0.719   7.770   3.588
   72    HB3  PHE  10           HB3      PHE  10  -0.423   6.558   4.161
   73    HD1  PHE  10           HD1      PHE  10  -2.773   7.090   4.429
   74    HD2  PHE  10           HD2      PHE  10  -0.008   9.985   2.985
   75    HE1  PHE  10           HE1      PHE  10  -4.645   8.481   3.644
   76    HE2  PHE  10           HE2      PHE  10  -1.875  11.381   2.198
   77    HZ   PHE  10           HZ       PHE  10  -4.197  10.630   2.529
   78    H    SER  11           H        SER  11   0.141   5.432   6.298
   79    HA   SER  11           HA       SER  11  -2.449   5.313   7.372
   80    HB2  SER  11           HB2      SER  11  -1.023   3.371   6.559
   81    HB3  SER  11           HB3      SER  11  -0.186   3.451   8.109
   82    HG   SER  11           HG       SER  11  -2.203   2.030   7.745
   83    H    SER  12           H        SER  12   0.590   6.228   8.766
   84    HA   SER  12           HA       SER  12  -0.383   6.034  11.492
   85    HB2  SER  12           HB2      SER  12   2.225   7.023  10.324
   86    HB3  SER  12           HB3      SER  12   1.866   7.027  12.050
   87    HG   SER  12           HG       SER  12   2.699   5.085  11.908
   88    H    LYS  13           H        LYS  13   0.729   8.625   9.316
   89    HA   LYS  13           HA       LYS  13   0.238  10.804  10.939
   90    HB2  LYS  13           HB2      LYS  13   0.327  10.371   7.998
   91    HB3  LYS  13           HB3      LYS  13  -0.369  11.882   8.568
   92    HG2  LYS  13           HG2      LYS  13   1.847  11.918  10.022
   93    HG3  LYS  13           HG3      LYS  13   2.426  10.908   8.695
   94    HD2  LYS  13           HD2      LYS  13   2.935  12.961   7.842
   95    HD3  LYS  13           HD3      LYS  13   1.280  12.812   7.246
   96    HE2  LYS  13           HE2      LYS  13   1.514  14.987   8.195
   97    HE3  LYS  13           HE3      LYS  13   0.521  14.030   9.293
   98    HZ1  LYS  13           HZ1      LYS  13   3.405  14.079   9.765
   99    HZ2  LYS  13           HZ2      LYS  13   2.130  14.003  10.874
  100    HZ3  LYS  13           HZ3      LYS  13   2.530  15.477  10.145
  101    H    PHE  14           H        PHE  14  -2.002   9.257   8.648
  102    HA   PHE  14           HA       PHE  14  -4.237  10.213  10.269
  103    HB2  PHE  14           HB2      PHE  14  -3.600  11.108   7.541
  104    HB3  PHE  14           HB3      PHE  14  -5.259  10.559   7.753
  105    HD1  PHE  14           HD1      PHE  14  -6.365  11.488  10.021
  106    HD2  PHE  14           HD2      PHE  14  -3.204  13.337   7.852
  107    HE1  PHE  14           HE1      PHE  14  -6.956  13.658  11.018
  108    HE2  PHE  14           HE2      PHE  14  -3.789  15.510   8.847
  109    HZ   PHE  14           HZ       PHE  14  -5.668  15.673  10.431
  Start of MODEL   15
    1    H    MET   1           H        MET   1   2.007   0.057   0.773
    2    HA   MET   1           HA       MET   1   1.548  -0.513  -2.073
    3    HB2  MET   1           HB2      MET   1   3.484   1.496  -0.920
    4    HB3  MET   1           HB3      MET   1   3.571   0.907  -2.575
    5    HG2  MET   1           HG2      MET   1   1.023   2.080  -1.573
    6    HG3  MET   1           HG3      MET   1   2.356   3.143  -2.019
    7    HE1  MET   1           HE1      MET   1   0.467   3.734  -5.246
    8    HE2  MET   1           HE2      MET   1  -0.248   3.669  -3.635
    9    HE3  MET   1           HE3      MET   1   1.341   4.400  -3.867
   10    H    GLU   2           H        GLU   2   2.210  -2.208   0.240
   11    HA   GLU   2           HA       GLU   2   3.543  -3.988   0.721
   12    HB2  GLU   2           HB2      GLU   2   4.849  -3.551  -1.963
   13    HB3  GLU   2           HB3      GLU   2   4.728  -5.051  -1.055
   14    HG2  GLU   2           HG2      GLU   2   2.165  -4.686  -1.328
   15    HG3  GLU   2           HG3      GLU   2   2.652  -3.635  -2.656
   16    H    ASN   3           H        ASN   3   4.373  -1.296   1.430
   17    HA   ASN   3           HA       ASN   3   7.236  -1.833   1.794
   18    HB2  ASN   3           HB2      ASN   3   5.978   0.714   0.797
   19    HB3  ASN   3           HB3      ASN   3   7.545   0.720   1.600
   20   HD21  ASN   3          HD21      ASN   3   5.932   0.365  -1.308
   21   HD22  ASN   3          HD22      ASN   3   7.237  -0.255  -2.256
   22    H    THR   4           H        THR   4   8.035   0.101   3.391
   23    HA   THR   4           HA       THR   4   6.073   0.364   5.558
   24    HB   THR   4           HB       THR   4   7.424  -1.598   6.115
   25    HG1  THR   4           HG1      THR   4   7.034  -0.714   8.012
   26   HG21  THR   4          HG21      THR   4   9.927  -0.567   6.760
   27   HG22  THR   4          HG22      THR   4   9.576   0.089   5.161
   28   HG23  THR   4          HG23      THR   4   9.547  -1.654   5.426
   29    H    SER   5           H        SER   5   6.726   2.393   3.830
   30    HA   SER   5           HA       SER   5   8.143   4.227   5.623
   31    HB2  SER   5           HB2      SER   5   9.264   5.270   3.638
   32    HB3  SER   5           HB3      SER   5   9.821   3.635   3.991
   33    HG   SER   5           HG       SER   5   9.297   3.212   2.009
   34    H    ILE   6           H        ILE   6   6.457   4.167   2.477
   35    HA   ILE   6           HA       ILE   6   5.251   6.739   3.003
   36    HB   ILE   6           HB       ILE   6   4.720   4.841   0.715
   37   HG12  ILE   6          HG12      ILE   6   7.082   5.455   0.786
   38   HG13  ILE   6          HG13      ILE   6   6.286   6.262  -0.561
   39   HG21  ILE   6          HG21      ILE   6   2.956   6.464   0.979
   40   HG22  ILE   6          HG22      ILE   6   4.131   7.775   1.080
   41   HG23  ILE   6          HG23      ILE   6   3.929   6.886  -0.430
   42   HD11  ILE   6          HD11      ILE   6   6.112   8.000   1.642
   43   HD12  ILE   6          HD12      ILE   6   7.767   7.392   1.591
   44   HD13  ILE   6          HD13      ILE   6   7.074   8.186   0.176
   45    H    THR   7           H        THR   7   4.067   3.419   2.496
   46    HA   THR   7           HA       THR   7   1.356   3.928   2.927
   47    HB   THR   7           HB       THR   7   2.246   1.802   2.003
   48    HG1  THR   7           HG1      THR   7   0.660   1.369   4.329
   49   HG21  THR   7          HG21      THR   7   2.927   1.172   4.877
   50   HG22  THR   7          HG22      THR   7   4.100   1.509   3.605
   51   HG23  THR   7          HG23      THR   7   3.075   0.078   3.503
   52    H    ILE   8           H        ILE   8   3.987   3.502   5.177
   53    HA   ILE   8           HA       ILE   8   2.211   3.272   7.462
   54    HB   ILE   8           HB       ILE   8   4.232   3.142   8.811
   55   HG12  ILE   8          HG12      ILE   8   6.401   2.963   7.233
   56   HG13  ILE   8          HG13      ILE   8   5.476   4.138   6.305
   57   HG21  ILE   8          HG21      ILE   8   3.354   1.143   7.595
   58   HG22  ILE   8          HG22      ILE   8   4.572   1.435   6.354
   59   HG23  ILE   8          HG23      ILE   8   5.067   1.057   8.004
   60   HD11  ILE   8          HD11      ILE   8   6.472   5.634   7.624
   61   HD12  ILE   8          HD12      ILE   8   5.272   5.145   8.820
   62   HD13  ILE   8          HD13      ILE   8   6.884   4.431   8.846
   63    H    GLU   9           H        GLU   9   4.193   5.683   5.879
   64    HA   GLU   9           HA       GLU   9   4.199   7.603   7.951
   65    HB2  GLU   9           HB2      GLU   9   5.785   7.838   6.185
   66    HB3  GLU   9           HB3      GLU   9   4.522   7.844   4.962
   67    HG2  GLU   9           HG2      GLU   9   5.380  10.069   5.260
   68    HG3  GLU   9           HG3      GLU   9   3.714   9.994   5.830
   69    H    PHE  10           H        PHE  10   1.900   6.807   5.439
   70    HA   PHE  10           HA       PHE  10   0.267   9.144   6.011
   71    HB2  PHE  10           HB2      PHE  10   0.541   8.319   3.680
   72    HB3  PHE  10           HB3      PHE  10  -0.284   6.833   4.138
   73    HD1  PHE  10           HD1      PHE  10  -2.424   6.721   3.344
   74    HD2  PHE  10           HD2      PHE  10  -0.910  10.480   4.645
   75    HE1  PHE  10           HE1      PHE  10  -4.592   7.767   2.834
   76    HE2  PHE  10           HE2      PHE  10  -3.076  11.532   4.138
   77    HZ   PHE  10           HZ       PHE  10  -4.920  10.175   3.230
   78    H    SER  11           H        SER  11  -0.009   5.608   6.226
   79    HA   SER  11           HA       SER  11  -2.568   5.500   7.343
   80    HB2  SER  11           HB2      SER  11  -1.268   3.552   6.432
   81    HB3  SER  11           HB3      SER  11  -0.306   3.571   7.910
   82    HG   SER  11           HG       SER  11  -3.039   2.965   7.577
   83    H    SER  12           H        SER  12   0.499   6.286   8.754
   84    HA   SER  12           HA       SER  12  -0.508   6.030  11.473
   85    HB2  SER  12           HB2      SER  12   1.826   5.358  10.911
   86    HB3  SER  12           HB3      SER  12   2.183   7.041  10.524
   87    HG   SER  12           HG       SER  12   1.454   5.949  13.035
   88    H    LYS  13           H        LYS  13   0.806   8.590   9.378
   89    HA   LYS  13           HA       LYS  13   0.496  10.754  11.063
   90    HB2  LYS  13           HB2      LYS  13   1.633  10.919   8.915
   91    HB3  LYS  13           HB3      LYS  13   0.119  10.645   8.065
   92    HG2  LYS  13           HG2      LYS  13  -0.737  12.747   8.708
   93    HG3  LYS  13           HG3      LYS  13   0.544  12.985   9.899
   94    HD2  LYS  13           HD2      LYS  13   1.162  14.334   8.081
   95    HD3  LYS  13           HD3      LYS  13   2.161  12.887   7.924
   96    HE2  LYS  13           HE2      LYS  13   0.491  11.987   6.314
   97    HE3  LYS  13           HE3      LYS  13  -0.365  13.526   6.404
   98    HZ1  LYS  13           HZ1      LYS  13   2.260  12.933   5.214
   99    HZ2  LYS  13           HZ2      LYS  13   1.925  14.497   5.763
  100    HZ3  LYS  13           HZ3      LYS  13   0.961  13.798   4.561
  101    H    PHE  14           H        PHE  14  -1.907   9.179   9.019
  102    HA   PHE  14           HA       PHE  14  -4.019  10.429  10.578
  103    HB2  PHE  14           HB2      PHE  14  -3.426  11.810   8.434
  104    HB3  PHE  14           HB3      PHE  14  -4.300  10.533   7.596
  105    HD1  PHE  14           HD1      PHE  14  -6.455  11.079   7.068
  106    HD2  PHE  14           HD2      PHE  14  -4.799  12.540  10.707
  107    HE1  PHE  14           HE1      PHE  14  -8.584  12.199   7.583
  108    HE2  PHE  14           HE2      PHE  14  -6.926  13.662  11.228
  109    HZ   PHE  14           HZ       PHE  14  -8.822  13.494   9.664
  Start of MODEL   16
    1    H    MET   1           H        MET   1   1.654   0.282   0.750
    2    HA   MET   1           HA       MET   1   1.188  -0.515  -2.046
    3    HB2  MET   1           HB2      MET   1   2.980   1.667  -0.989
    4    HB3  MET   1           HB3      MET   1   3.174   0.980  -2.597
    5    HG2  MET   1           HG2      MET   1   0.722   1.592  -2.957
    6    HG3  MET   1           HG3      MET   1   0.890   2.583  -1.510
    7    HE1  MET   1           HE1      MET   1   1.250   4.574  -1.423
    8    HE2  MET   1           HE2      MET   1   2.718   5.356  -2.009
    9    HE3  MET   1           HE3      MET   1   1.189   5.600  -2.856
   10    H    GLU   2           H        GLU   2   1.984  -2.060   0.341
   11    HA   GLU   2           HA       GLU   2   3.443  -3.708   0.914
   12    HB2  GLU   2           HB2      GLU   2   4.514  -3.454  -1.896
   13    HB3  GLU   2           HB3      GLU   2   4.588  -4.864  -0.848
   14    HG2  GLU   2           HG2      GLU   2   2.068  -4.898  -0.920
   15    HG3  GLU   2           HG3      GLU   2   2.177  -3.691  -2.200
   16    H    ASN   3           H        ASN   3   4.215  -1.210   1.715
   17    HA   ASN   3           HA       ASN   3   7.138  -1.432   1.576
   18    HB2  ASN   3           HB2      ASN   3   5.471   1.018   1.071
   19    HB3  ASN   3           HB3      ASN   3   7.114   1.161   1.689
   20   HD21  ASN   3          HD21      ASN   3   5.257   1.053  -1.038
   21   HD22  ASN   3          HD22      ASN   3   6.479   0.658  -2.194
   22    H    THR   4           H        THR   4   8.005   0.359   3.275
   23    HA   THR   4           HA       THR   4   6.390   0.197   5.717
   24    HB   THR   4           HB       THR   4   7.988  -1.706   5.739
   25    HG1  THR   4           HG1      THR   4   7.349  -0.718   7.713
   26   HG21  THR   4          HG21      THR   4   9.790   0.256   4.782
   27   HG22  THR   4          HG22      THR   4  10.103  -1.452   5.091
   28   HG23  THR   4          HG23      THR   4  10.370  -0.261   6.365
   29    H    SER   5           H        SER   5   6.933   2.401   3.949
   30    HA   SER   5           HA       SER   5   8.130   4.216   5.896
   31    HB2  SER   5           HB2      SER   5   9.103   3.831   3.073
   32    HB3  SER   5           HB3      SER   5   9.323   5.367   3.912
   33    HG   SER   5           HG       SER   5  10.595   4.372   5.407
   34    H    ILE   6           H        ILE   6   6.703   4.070   2.633
   35    HA   ILE   6           HA       ILE   6   5.445   6.646   2.969
   36    HB   ILE   6           HB       ILE   6   5.001   4.641   0.757
   37   HG12  ILE   6          HG12      ILE   6   7.375   5.164   0.902
   38   HG13  ILE   6          HG13      ILE   6   6.677   5.955  -0.507
   39   HG21  ILE   6          HG21      ILE   6   4.255   7.493   1.193
   40   HG22  ILE   6          HG22      ILE   6   4.581   6.930  -0.446
   41   HG23  ILE   6          HG23      ILE   6   3.307   6.172   0.510
   42   HD11  ILE   6          HD11      ILE   6   7.989   7.618   0.362
   43   HD12  ILE   6          HD12      ILE   6   6.433   7.982   1.109
   44   HD13  ILE   6          HD13      ILE   6   7.680   7.141   2.031
   45    H    THR   7           H        THR   7   4.314   3.292   2.581
   46    HA   THR   7           HA       THR   7   1.577   3.825   2.874
   47    HB   THR   7           HB       THR   7   2.519   1.678   2.024
   48    HG1  THR   7           HG1      THR   7   0.869   1.050   4.220
   49   HG21  THR   7          HG21      THR   7   3.206  -0.032   3.629
   50   HG22  THR   7          HG22      THR   7   3.030   1.124   4.949
   51   HG23  THR   7          HG23      THR   7   4.267   1.373   3.718
   52    H    ILE   8           H        ILE   8   4.124   3.400   5.225
   53    HA   ILE   8           HA       ILE   8   2.283   3.198   7.452
   54    HB   ILE   8           HB       ILE   8   4.266   3.147   8.866
   55   HG12  ILE   8          HG12      ILE   8   6.478   2.976   7.328
   56   HG13  ILE   8          HG13      ILE   8   5.551   4.140   6.386
   57   HG21  ILE   8          HG21      ILE   8   3.434   1.163   7.372
   58   HG22  ILE   8          HG22      ILE   8   4.994   1.379   6.581
   59   HG23  ILE   8          HG23      ILE   8   4.922   1.019   8.306
   60   HD11  ILE   8          HD11      ILE   8   6.900   4.443   8.963
   61   HD12  ILE   8          HD12      ILE   8   6.519   5.642   7.725
   62   HD13  ILE   8          HD13      ILE   8   5.286   5.151   8.887
   63    H    GLU   9           H        GLU   9   4.238   5.635   5.882
   64    HA   GLU   9           HA       GLU   9   4.149   7.587   7.920
   65    HB2  GLU   9           HB2      GLU   9   5.759   7.839   6.176
   66    HB3  GLU   9           HB3      GLU   9   4.517   7.791   4.933
   67    HG2  GLU   9           HG2      GLU   9   5.306  10.043   5.209
   68    HG3  GLU   9           HG3      GLU   9   3.635   9.930   5.757
   69    H    PHE  10           H        PHE  10   1.921   6.692   5.376
   70    HA   PHE  10           HA       PHE  10   0.222   8.995   5.841
   71    HB2  PHE  10           HB2      PHE  10   0.440   8.166   3.561
   72    HB3  PHE  10           HB3      PHE  10  -0.133   6.577   4.057
   73    HD1  PHE  10           HD1      PHE  10  -2.329   6.068   3.648
   74    HD2  PHE  10           HD2      PHE  10  -1.227  10.143   4.191
   75    HE1  PHE  10           HE1      PHE  10  -4.643   6.754   3.170
   76    HE2  PHE  10           HE2      PHE  10  -3.539  10.835   3.714
   77    HZ   PHE  10           HZ       PHE  10  -5.251   9.140   3.202
   78    H    SER  11           H        SER  11   0.025   5.471   6.257
   79    HA   SER  11           HA       SER  11  -2.536   5.390   7.388
   80    HB2  SER  11           HB2      SER  11  -0.179   3.561   7.364
   81    HB3  SER  11           HB3      SER  11  -1.466   3.234   8.523
   82    HG   SER  11           HG       SER  11  -1.425   2.591   5.988
   83    H    SER  12           H        SER  12   0.537   6.261   8.731
   84    HA   SER  12           HA       SER  12  -0.415   6.089  11.472
   85    HB2  SER  12           HB2      SER  12   2.225   6.967  10.288
   86    HB3  SER  12           HB3      SER  12   1.877   6.978  12.016
   87    HG   SER  12           HG       SER  12   2.812   4.983  10.672
   88    H    LYS  13           H        LYS  13   0.728   8.611   9.239
   89    HA   LYS  13           HA       LYS  13   0.398  10.829  10.849
   90    HB2  LYS  13           HB2      LYS  13   1.435  10.895   8.622
   91    HB3  LYS  13           HB3      LYS  13  -0.136  10.624   7.879
   92    HG2  LYS  13           HG2      LYS  13   0.030  12.885   7.663
   93    HG3  LYS  13           HG3      LYS  13  -0.783  12.785   9.226
   94    HD2  LYS  13           HD2      LYS  13   0.889  14.243   9.766
   95    HD3  LYS  13           HD3      LYS  13   1.716  12.721  10.106
   96    HE2  LYS  13           HE2      LYS  13   2.689  12.784   7.837
   97    HE3  LYS  13           HE3      LYS  13   1.915  14.345   7.571
   98    HZ1  LYS  13           HZ1      LYS  13   3.376  15.404   8.915
   99    HZ2  LYS  13           HZ2      LYS  13   4.384  14.131   8.441
  100    HZ3  LYS  13           HZ3      LYS  13   3.600  14.076   9.939
  101    H    PHE  14           H        PHE  14  -2.013   9.234   8.791
  102    HA   PHE  14           HA       PHE  14  -4.110  10.550  10.372
  103    HB2  PHE  14           HB2      PHE  14  -3.835  11.700   8.168
  104    HB3  PHE  14           HB3      PHE  14  -4.234  10.180   7.374
  105    HD1  PHE  14           HD1      PHE  14  -6.469   9.490   7.114
  106    HD2  PHE  14           HD2      PHE  14  -5.545  12.814   9.606
  107    HE1  PHE  14           HE1      PHE  14  -8.862  10.044   7.256
  108    HE2  PHE  14           HE2      PHE  14  -7.936  13.373   9.753
  109    HZ   PHE  14           HZ       PHE  14  -9.598  11.988   8.576
  Start of MODEL   17
    1    H    MET   1           H        MET   1   0.969   0.695   0.222
    2    HA   MET   1           HA       MET   1   1.854   0.761  -1.890
    3    HB2  MET   1           HB2      MET   1   3.199   2.820  -0.664
    4    HB3  MET   1           HB3      MET   1   4.514   1.777  -1.189
    5    HG2  MET   1           HG2      MET   1   4.315   2.494  -3.268
    6    HG3  MET   1           HG3      MET   1   2.612   2.043  -3.303
    7    HE1  MET   1           HE1      MET   1   4.294   4.666  -4.693
    8    HE2  MET   1           HE2      MET   1   2.684   4.106  -5.144
    9    HE3  MET   1           HE3      MET   1   2.935   5.790  -4.681
   10    H    GLU   2           H        GLU   2   2.269  -1.339   0.175
   11    HA   GLU   2           HA       GLU   2   3.269  -3.376   0.330
   12    HB2  GLU   2           HB2      GLU   2   4.543  -2.797  -2.342
   13    HB3  GLU   2           HB3      GLU   2   4.188  -4.368  -1.636
   14    HG2  GLU   2           HG2      GLU   2   2.283  -2.369  -2.798
   15    HG3  GLU   2           HG3      GLU   2   2.557  -4.043  -3.279
   16    H    ASN   3           H        ASN   3   4.578  -1.049   1.401
   17    HA   ASN   3           HA       ASN   3   7.260  -2.157   1.649
   18    HB2  ASN   3           HB2      ASN   3   6.648   0.605   0.630
   19    HB3  ASN   3           HB3      ASN   3   8.150   0.273   1.486
   20   HD21  ASN   3          HD21      ASN   3   6.422  -0.023  -1.444
   21   HD22  ASN   3          HD22      ASN   3   7.654  -0.821  -2.356
   22    H    THR   4           H        THR   4   8.493  -0.515   3.275
   23    HA   THR   4           HA       THR   4   6.635  -0.106   5.527
   24    HB   THR   4           HB       THR   4   8.062  -1.923   6.108
   25    HG1  THR   4           HG1      THR   4   9.012  -1.063   7.938
   26   HG21  THR   4          HG21      THR   4  10.000  -0.482   4.542
   27   HG22  THR   4          HG22      THR   4  10.024  -2.162   5.078
   28   HG23  THR   4          HG23      THR   4  10.671  -0.894   6.119
   29    H    SER   5           H        SER   5   6.484   2.066   4.380
   30    HA   SER   5           HA       SER   5   7.859   4.003   5.884
   31    HB2  SER   5           HB2      SER   5   9.103   3.214   3.332
   32    HB3  SER   5           HB3      SER   5   8.869   4.951   3.529
   33    HG   SER   5           HG       SER   5  10.238   4.970   5.182
   34    H    ILE   6           H        ILE   6   6.342   3.407   2.730
   35    HA   ILE   6           HA       ILE   6   5.086   6.006   2.703
   36    HB   ILE   6           HB       ILE   6   4.502   3.672   0.883
   37   HG12  ILE   6          HG12      ILE   6   6.915   4.198   0.886
   38   HG13  ILE   6          HG13      ILE   6   6.157   4.606  -0.649
   39   HG21  ILE   6          HG21      ILE   6   4.106   5.788  -0.649
   40   HG22  ILE   6          HG22      ILE   6   2.845   5.170   0.418
   41   HG23  ILE   6          HG23      ILE   6   3.811   6.562   0.908
   42   HD11  ILE   6          HD11      ILE   6   6.059   6.960   0.065
   43   HD12  ILE   6          HD12      ILE   6   6.908   6.519   1.547
   44   HD13  ILE   6          HD13      ILE   6   7.704   6.331  -0.015
   45    H    THR   7           H        THR   7   3.928   2.640   2.877
   46    HA   THR   7           HA       THR   7   1.220   3.216   3.247
   47    HB   THR   7           HB       THR   7   2.073   0.959   2.714
   48    HG1  THR   7           HG1      THR   7   0.657  -0.129   4.282
   49   HG21  THR   7          HG21      THR   7   3.992   1.050   4.327
   50   HG22  THR   7          HG22      THR   7   3.060  -0.446   4.383
   51   HG23  THR   7          HG23      THR   7   2.833   0.782   5.628
   52    H    ILE   8           H        ILE   8   3.881   3.126   5.522
   53    HA   ILE   8           HA       ILE   8   2.164   3.318   7.836
   54    HB   ILE   8           HB       ILE   8   4.251   3.577   9.115
   55   HG12  ILE   8          HG12      ILE   8   6.290   2.978   7.376
   56   HG13  ILE   8          HG13      ILE   8   5.315   4.094   6.427
   57   HG21  ILE   8          HG21      ILE   8   4.814   1.362   9.001
   58   HG22  ILE   8          HG22      ILE   8   3.285   1.339   8.126
   59   HG23  ILE   8          HG23      ILE   8   4.808   1.337   7.238
   60   HD11  ILE   8          HD11      ILE   8   5.985   5.845   7.619
   61   HD12  ILE   8          HD12      ILE   8   5.748   5.005   9.151
   62   HD13  ILE   8          HD13      ILE   8   7.244   4.780   8.244
   63    H    GLU   9           H        GLU   9   4.065   5.476   5.826
   64    HA   GLU   9           HA       GLU   9   4.086   7.736   7.470
   65    HB2  GLU   9           HB2      GLU   9   4.504   7.167   4.620
   66    HB3  GLU   9           HB3      GLU   9   3.918   8.792   4.945
   67    HG2  GLU   9           HG2      GLU   9   6.347   7.545   6.210
   68    HG3  GLU   9           HG3      GLU   9   6.368   8.659   4.844
   69    H    PHE  10           H        PHE  10   1.632   6.494   5.281
   70    HA   PHE  10           HA       PHE  10  -0.066   8.809   5.604
   71    HB2  PHE  10           HB2      PHE  10   0.118   7.235   3.539
   72    HB3  PHE  10           HB3      PHE  10  -0.977   6.194   4.444
   73    HD1  PHE  10           HD1      PHE  10  -3.232   7.030   5.065
   74    HD2  PHE  10           HD2      PHE  10  -0.653   9.180   2.450
   75    HE1  PHE  10           HE1      PHE  10  -5.150   8.347   4.263
   76    HE2  PHE  10           HE2      PHE  10  -2.566  10.501   1.644
   77    HZ   PHE  10           HZ       PHE  10  -4.818  10.086   2.550
   78    H    SER  11           H        SER  11  -0.143   5.399   6.599
   79    HA   SER  11           HA       SER  11  -2.559   5.501   8.014
   80    HB2  SER  11           HB2      SER  11  -1.552   3.375   7.423
   81    HB3  SER  11           HB3      SER  11  -0.142   3.725   8.422
   82    HG   SER  11           HG       SER  11  -1.235   3.211  10.163
   83    H    SER  12           H        SER  12   0.637   6.557   8.843
   84    HA   SER  12           HA       SER  12   0.092   6.759  11.673
   85    HB2  SER  12           HB2      SER  12   2.371   6.279  10.874
   86    HB3  SER  12           HB3      SER  12   2.409   7.836  10.047
   87    HG   SER  12           HG       SER  12   2.373   8.870  12.004
   88    H    LYS  13           H        LYS  13   0.626   9.049   9.001
   89    HA   LYS  13           HA       LYS  13   0.063  11.362  10.543
   90    HB2  LYS  13           HB2      LYS  13   0.163  12.570   8.499
   91    HB3  LYS  13           HB3      LYS  13   1.352  11.281   8.371
   92    HG2  LYS  13           HG2      LYS  13   0.418  10.647   6.471
   93    HG3  LYS  13           HG3      LYS  13  -1.062  10.255   7.350
   94    HD2  LYS  13           HD2      LYS  13  -0.777  13.108   6.874
   95    HD3  LYS  13           HD3      LYS  13  -0.782  12.174   5.376
   96    HE2  LYS  13           HE2      LYS  13  -2.814  11.474   7.416
   97    HE3  LYS  13           HE3      LYS  13  -3.019  13.009   6.574
   98    HZ1  LYS  13           HZ1      LYS  13  -3.232  11.954   4.537
   99    HZ2  LYS  13           HZ2      LYS  13  -4.084  10.928   5.577
  100    HZ3  LYS  13           HZ3      LYS  13  -2.522  10.516   5.076
  101    H    PHE  14           H        PHE  14  -1.927   8.960   9.209
  102    HA   PHE  14           HA       PHE  14  -4.288  10.697   9.512
  103    HB2  PHE  14           HB2      PHE  14  -3.663   9.682   7.174
  104    HB3  PHE  14           HB3      PHE  14  -4.361   8.211   7.844
  105    HD1  PHE  14           HD1      PHE  14  -6.477   7.837   7.063
  106    HD2  PHE  14           HD2      PHE  14  -5.286  11.828   7.943
  107    HE1  PHE  14           HE1      PHE  14  -8.728   8.636   6.472
  108    HE2  PHE  14           HE2      PHE  14  -7.535  12.632   7.355
  109    HZ   PHE  14           HZ       PHE  14  -9.260  11.036   6.619
  Start of MODEL   18
    1    H    MET   1           H        MET   1   0.975   0.652   0.291
    2    HA   MET   1           HA       MET   1   1.756   0.578  -1.862
    3    HB2  MET   1           HB2      MET   1   3.021   2.792  -0.939
    4    HB3  MET   1           HB3      MET   1   4.402   1.758  -1.283
    5    HG2  MET   1           HG2      MET   1   2.366   1.871  -3.396
    6    HG3  MET   1           HG3      MET   1   3.217   3.382  -3.082
    7    HE1  MET   1           HE1      MET   1   3.476   3.099  -5.462
    8    HE2  MET   1           HE2      MET   1   5.216   3.181  -5.738
    9    HE3  MET   1           HE3      MET   1   4.299   1.780  -6.295
   10    H    GLU   2           H        GLU   2   2.244  -1.401   0.227
   11    HA   GLU   2           HA       GLU   2   3.298  -3.402   0.468
   12    HB2  GLU   2           HB2      GLU   2   4.596  -2.860  -2.202
   13    HB3  GLU   2           HB3      GLU   2   4.309  -4.422  -1.447
   14    HG2  GLU   2           HG2      GLU   2   2.304  -2.551  -2.661
   15    HG3  GLU   2           HG3      GLU   2   2.697  -4.200  -3.144
   16    H    ASN   3           H        ASN   3   4.563  -0.844   1.285
   17    HA   ASN   3           HA       ASN   3   7.298  -1.877   1.587
   18    HB2  ASN   3           HB2      ASN   3   6.482   0.942   0.875
   19    HB3  ASN   3           HB3      ASN   3   8.077   0.537   1.503
   20   HD21  ASN   3          HD21      ASN   3   6.240   0.922  -1.237
   21   HD22  ASN   3          HD22      ASN   3   7.272   0.123  -2.369
   22    H    THR   4           H        THR   4   8.406  -0.181   3.283
   23    HA   THR   4           HA       THR   4   6.555  -0.052   5.575
   24    HB   THR   4           HB       THR   4   8.154  -1.857   5.916
   25    HG1  THR   4           HG1      THR   4   7.570  -0.215   7.644
   26   HG21  THR   4          HG21      THR   4   9.981  -0.001   4.724
   27   HG22  THR   4          HG22      THR   4  10.220  -1.708   5.097
   28   HG23  THR   4          HG23      THR   4  10.585  -0.481   6.309
   29    H    SER   5           H        SER   5   6.697   2.139   4.013
   30    HA   SER   5           HA       SER   5   7.837   4.086   5.807
   31    HB2  SER   5           HB2      SER   5   9.100   3.447   3.204
   32    HB3  SER   5           HB3      SER   5   8.886   5.161   3.559
   33    HG   SER   5           HG       SER   5   9.981   4.768   5.558
   34    H    ILE   6           H        ILE   6   6.337   3.503   2.650
   35    HA   ILE   6           HA       ILE   6   5.046   6.084   2.634
   36    HB   ILE   6           HB       ILE   6   4.499   3.741   0.814
   37   HG12  ILE   6          HG12      ILE   6   6.881   4.288   0.750
   38   HG13  ILE   6          HG13      ILE   6   6.097   4.793  -0.743
   39   HG21  ILE   6          HG21      ILE   6   3.589   6.526   0.956
   40   HG22  ILE   6          HG22      ILE   6   4.120   6.001  -0.641
   41   HG23  ILE   6          HG23      ILE   6   2.840   5.122   0.195
   42   HD11  ILE   6          HD11      ILE   6   5.941   7.019   0.893
   43   HD12  ILE   6          HD12      ILE   6   7.545   6.353   1.202
   44   HD13  ILE   6          HD13      ILE   6   7.061   6.762  -0.443
   45    H    THR   7           H        THR   7   3.956   2.701   2.853
   46    HA   THR   7           HA       THR   7   1.233   3.286   3.263
   47    HB   THR   7           HB       THR   7   2.118   1.044   2.607
   48    HG1  THR   7           HG1      THR   7  -0.016   1.359   3.536
   49   HG21  THR   7          HG21      THR   7   3.983   0.951   4.214
   50   HG22  THR   7          HG22      THR   7   2.936  -0.463   4.337
   51   HG23  THR   7          HG23      THR   7   2.824   0.825   5.536
   52    H    ILE   8           H        ILE   8   3.959   3.138   5.439
   53    HA   ILE   8           HA       ILE   8   2.322   3.180   7.820
   54    HB   ILE   8           HB       ILE   8   4.412   3.359   9.052
   55   HG12  ILE   8          HG12      ILE   8   6.474   3.073   7.285
   56   HG13  ILE   8          HG13      ILE   8   5.424   4.180   6.408
   57   HG21  ILE   8          HG21      ILE   8   3.555   1.193   7.796
   58   HG22  ILE   8          HG22      ILE   8   5.096   1.369   6.958
   59   HG23  ILE   8          HG23      ILE   8   5.062   1.200   8.713
   60   HD11  ILE   8          HD11      ILE   8   7.040   4.613   8.815
   61   HD12  ILE   8          HD12      ILE   8   6.548   5.741   7.551
   62   HD13  ILE   8          HD13      ILE   8   5.428   5.327   8.849
   63    H    GLU   9           H        GLU   9   4.063   5.469   5.820
   64    HA   GLU   9           HA       GLU   9   4.033   7.650   7.613
   65    HB2  GLU   9           HB2      GLU   9   5.516   7.739   5.747
   66    HB3  GLU   9           HB3      GLU   9   4.200   7.499   4.606
   67    HG2  GLU   9           HG2      GLU   9   4.916   9.792   4.555
   68    HG3  GLU   9           HG3      GLU   9   3.288   9.694   5.222
   69    H    PHE  10           H        PHE  10   1.680   6.384   5.356
   70    HA   PHE  10           HA       PHE  10  -0.069   8.675   5.638
   71    HB2  PHE  10           HB2      PHE  10   0.238   7.118   3.556
   72    HB3  PHE  10           HB3      PHE  10  -0.914   6.083   4.393
   73    HD1  PHE  10           HD1      PHE  10  -3.207   6.834   4.780
   74    HD2  PHE  10           HD2      PHE  10  -0.434   9.192   2.573
   75    HE1  PHE  10           HE1      PHE  10  -5.064   8.181   3.893
   76    HE2  PHE  10           HE2      PHE  10  -2.287  10.544   1.684
   77    HZ   PHE  10           HZ       PHE  10  -4.606  10.040   2.344
   78    H    SER  11           H        SER  11  -0.015   5.276   6.638
   79    HA   SER  11           HA       SER  11  -2.517   5.277   7.936
   80    HB2  SER  11           HB2      SER  11  -1.656   3.147   7.467
   81    HB3  SER  11           HB3      SER  11  -0.071   3.537   8.133
   82    HG   SER  11           HG       SER  11  -0.854   2.519   9.812
   83    H    SER  12           H        SER  12   0.631   6.374   8.900
   84    HA   SER  12           HA       SER  12  -0.089   6.564  11.704
   85    HB2  SER  12           HB2      SER  12   2.220   5.964  11.051
   86    HB3  SER  12           HB3      SER  12   2.395   7.534  10.269
   87    HG   SER  12           HG       SER  12   3.191   7.285  12.524
   88    H    LYS  13           H        LYS  13   0.581   8.750   8.996
   89    HA   LYS  13           HA       LYS  13   0.101  11.129  10.499
   90    HB2  LYS  13           HB2      LYS  13   1.474  10.884   8.350
   91    HB3  LYS  13           HB3      LYS  13  -0.066  10.887   7.500
   92    HG2  LYS  13           HG2      LYS  13   0.642  13.097   7.393
   93    HG3  LYS  13           HG3      LYS  13  -0.519  13.091   8.723
   94    HD2  LYS  13           HD2      LYS  13   1.174  14.236   9.731
   95    HD3  LYS  13           HD3      LYS  13   1.679  12.593  10.130
   96    HE2  LYS  13           HE2      LYS  13   3.611  13.672   9.323
   97    HE3  LYS  13           HE3      LYS  13   3.052  12.652   7.999
   98    HZ1  LYS  13           HZ1      LYS  13   2.001  15.350   8.007
   99    HZ2  LYS  13           HZ2      LYS  13   2.588  14.420   6.722
  100    HZ3  LYS  13           HZ3      LYS  13   3.667  15.236   7.738
  101    H    PHE  14           H        PHE  14  -1.942   8.764   9.315
  102    HA   PHE  14           HA       PHE  14  -4.132  10.084   8.282
  103    HB2  PHE  14           HB2      PHE  14  -4.087   7.686   8.308
  104    HB3  PHE  14           HB3      PHE  14  -4.009   7.650  10.066
  105    HD1  PHE  14           HD1      PHE  14  -5.961   7.674  11.369
  106    HD2  PHE  14           HD2      PHE  14  -6.184   8.488   7.198
  107    HE1  PHE  14           HE1      PHE  14  -8.415   7.530  11.476
  108    HE2  PHE  14           HE2      PHE  14  -8.638   8.347   7.298
  109    HZ   PHE  14           HZ       PHE  14  -9.757   7.869   9.439
  Start of MODEL   19
    1    H    MET   1           H        MET   1   1.652  -0.128   1.163
    2    HA   MET   1           HA       MET   1   1.434   0.064  -1.767
    3    HB2  MET   1           HB2      MET   1   2.186   2.110   0.016
    4    HB3  MET   1           HB3      MET   1   3.670   1.574  -0.760
    5    HG2  MET   1           HG2      MET   1   1.449   1.931  -2.614
    6    HG3  MET   1           HG3      MET   1   1.910   3.404  -1.765
    7    HE1  MET   1           HE1      MET   1   3.989   4.582  -4.519
    8    HE2  MET   1           HE2      MET   1   2.508   4.688  -3.568
    9    HE3  MET   1           HE3      MET   1   4.073   4.937  -2.793
   10    H    GLU   2           H        GLU   2   2.162  -2.175   0.041
   11    HA   GLU   2           HA       GLU   2   3.721  -3.825   0.238
   12    HB2  GLU   2           HB2      GLU   2   4.652  -2.806  -2.450
   13    HB3  GLU   2           HB3      GLU   2   4.919  -4.411  -1.786
   14    HG2  GLU   2           HG2      GLU   2   2.237  -3.241  -2.485
   15    HG3  GLU   2           HG3      GLU   2   3.149  -4.379  -3.475
   16    H    ASN   3           H        ASN   3   4.408  -1.282   1.390
   17    HA   ASN   3           HA       ASN   3   7.294  -1.662   1.553
   18    HB2  ASN   3           HB2      ASN   3   5.943   0.843   0.619
   19    HB3  ASN   3           HB3      ASN   3   7.435   0.961   1.547
   20   HD21  ASN   3          HD21      ASN   3   6.003   0.165  -1.464
   21   HD22  ASN   3          HD22      ASN   3   7.464  -0.161  -2.326
   22    H    THR   4           H        THR   4   8.133   0.063   3.278
   23    HA   THR   4           HA       THR   4   6.197   0.159   5.493
   24    HB   THR   4           HB       THR   4   7.681  -1.748   5.884
   25    HG1  THR   4           HG1      THR   4   8.542   0.297   7.643
   26   HG21  THR   4          HG21      THR   4   9.600  -0.592   4.567
   27   HG22  THR   4          HG22      THR   4  10.001  -1.636   5.931
   28   HG23  THR   4          HG23      THR   4  10.012   0.117   6.127
   29    H    SER   5           H        SER   5   6.676   2.323   3.872
   30    HA   SER   5           HA       SER   5   7.872   4.174   5.771
   31    HB2  SER   5           HB2      SER   5   9.345   5.219   4.178
   32    HB3  SER   5           HB3      SER   5   9.702   3.492   4.187
   33    HG   SER   5           HG       SER   5   8.630   3.266   2.265
   34    H    ILE   6           H        ILE   6   6.341   3.816   2.586
   35    HA   ILE   6           HA       ILE   6   5.148   6.444   2.744
   36    HB   ILE   6           HB       ILE   6   4.543   4.281   0.732
   37   HG12  ILE   6          HG12      ILE   6   6.953   4.699   0.765
   38   HG13  ILE   6          HG13      ILE   6   6.235   5.355  -0.702
   39   HG21  ILE   6          HG21      ILE   6   2.963   5.809   0.236
   40   HG22  ILE   6          HG22      ILE   6   3.819   7.115   1.054
   41   HG23  ILE   6          HG23      ILE   6   4.300   6.629  -0.571
   42   HD11  ILE   6          HD11      ILE   6   7.800   6.672   1.269
   43   HD12  ILE   6          HD12      ILE   6   7.160   7.305  -0.247
   44   HD13  ILE   6          HD13      ILE   6   6.198   7.408   1.227
   45    H    THR   7           H        THR   7   4.086   3.082   2.993
   46    HA   THR   7           HA       THR   7   1.321   3.752   3.329
   47    HB   THR   7           HB       THR   7   2.092   1.558   2.423
   48    HG1  THR   7           HG1      THR   7  -0.011   1.715   3.255
   49   HG21  THR   7          HG21      THR   7   3.947   1.320   4.136
   50   HG22  THR   7          HG22      THR   7   2.985  -0.127   3.833
   51   HG23  THR   7          HG23      THR   7   2.700   0.835   5.283
   52    H    ILE   8           H        ILE   8   4.060   3.395   5.423
   53    HA   ILE   8           HA       ILE   8   2.476   3.150   7.830
   54    HB   ILE   8           HB       ILE   8   4.620   3.295   9.022
   55   HG12  ILE   8          HG12      ILE   8   6.597   3.077   7.152
   56   HG13  ILE   8          HG13      ILE   8   5.522   4.237   6.379
   57   HG21  ILE   8          HG21      ILE   8   3.685   1.196   7.746
   58   HG22  ILE   8          HG22      ILE   8   5.147   1.406   6.783
   59   HG23  ILE   8          HG23      ILE   8   5.267   1.154   8.524
   60   HD11  ILE   8          HD11      ILE   8   7.334   4.580   8.610
   61   HD12  ILE   8          HD12      ILE   8   6.574   5.784   7.569
   62   HD13  ILE   8          HD13      ILE   8   5.707   5.155   8.970
   63    H    GLU   9           H        GLU   9   4.238   5.656   6.102
   64    HA   GLU   9           HA       GLU   9   3.993   7.622   8.161
   65    HB2  GLU   9           HB2      GLU   9   4.932   9.153   6.607
   66    HB3  GLU   9           HB3      GLU   9   5.729   7.611   6.327
   67    HG2  GLU   9           HG2      GLU   9   4.328   7.205   4.394
   68    HG3  GLU   9           HG3      GLU   9   3.449   8.703   4.694
   69    H    PHE  10           H        PHE  10   2.044   6.610   5.452
   70    HA   PHE  10           HA       PHE  10   0.294   8.909   5.611
   71    HB2  PHE  10           HB2      PHE  10   0.825   7.718   3.457
   72    HB3  PHE  10           HB3      PHE  10  -0.122   6.357   4.048
   73    HD1  PHE  10           HD1      PHE  10  -2.449   6.321   3.818
   74    HD2  PHE  10           HD2      PHE  10  -0.318   9.947   3.166
   75    HE1  PHE  10           HE1      PHE  10  -4.495   7.360   2.930
   76    HE2  PHE  10           HE2      PHE  10  -2.361  10.992   2.278
   77    HZ   PHE  10           HZ       PHE  10  -4.453   9.698   2.158
   78    H    SER  11           H        SER  11   0.357   5.585   6.698
   79    HA   SER  11           HA       SER  11  -2.398   5.576   7.540
   80    HB2  SER  11           HB2      SER  11  -1.535   3.456   6.907
   81    HB3  SER  11           HB3      SER  11  -0.104   3.652   7.920
   82    HG   SER  11           HG       SER  11  -2.726   2.988   8.640
   83    H    SER  12           H        SER  12   0.706   6.276   8.957
   84    HA   SER  12           HA       SER  12  -0.243   6.219  11.674
   85    HB2  SER  12           HB2      SER  12   1.963   6.941  12.286
   86    HB3  SER  12           HB3      SER  12   2.142   5.760  10.989
   87    HG   SER  12           HG       SER  12   2.998   8.277  11.057
   88    H    LYS  13           H        LYS  13   0.702   8.764   9.376
   89    HA   LYS  13           HA       LYS  13   0.112  10.941  11.061
   90    HB2  LYS  13           HB2      LYS  13   0.314  10.662   8.069
   91    HB3  LYS  13           HB3      LYS  13  -0.070  12.200   8.832
   92    HG2  LYS  13           HG2      LYS  13   2.325  10.737   9.794
   93    HG3  LYS  13           HG3      LYS  13   2.405  11.520   8.213
   94    HD2  LYS  13           HD2      LYS  13   1.401  13.000  10.620
   95    HD3  LYS  13           HD3      LYS  13   3.131  12.859  10.297
   96    HE2  LYS  13           HE2      LYS  13   2.975  14.065   8.305
   97    HE3  LYS  13           HE3      LYS  13   1.235  13.813   8.180
   98    HZ1  LYS  13           HZ1      LYS  13   1.008  15.230  10.194
   99    HZ2  LYS  13           HZ2      LYS  13   1.604  16.049   8.840
  100    HZ3  LYS  13           HZ3      LYS  13   2.657  15.590  10.082
  101    H    PHE  14           H        PHE  14  -1.809   9.389   8.501
  102    HA   PHE  14           HA       PHE  14  -4.207  10.620   9.691
  103    HB2  PHE  14           HB2      PHE  14  -3.439  11.416   7.342
  104    HB3  PHE  14           HB3      PHE  14  -4.049   9.860   6.789
  105    HD1  PHE  14           HD1      PHE  14  -6.387   9.428   6.643
  106    HD2  PHE  14           HD2      PHE  14  -4.966  13.076   8.312
  107    HE1  PHE  14           HE1      PHE  14  -8.661  10.360   6.532
  108    HE2  PHE  14           HE2      PHE  14  -7.238  14.014   8.204
  109    HZ   PHE  14           HZ       PHE  14  -9.089  12.656   7.312
  Start of MODEL   20
    1    H    MET   1           H        MET   1   3.350   1.497  -0.273
    2    HA   MET   1           HA       MET   1   3.723   0.535  -3.033
    3    HB2  MET   1           HB2      MET   1   5.089   2.545  -2.277
    4    HB3  MET   1           HB3      MET   1   5.925   1.448  -1.185
    5    HG2  MET   1           HG2      MET   1   6.885   0.244  -2.941
    6    HG3  MET   1           HG3      MET   1   5.757   0.901  -4.124
    7    HE1  MET   1           HE1      MET   1   9.309   2.649  -2.089
    8    HE2  MET   1           HE2      MET   1   8.704   0.994  -2.158
    9    HE3  MET   1           HE3      MET   1   9.745   1.607  -3.444
   10    H    GLU   2           H        GLU   2   2.765  -0.848  -0.522
   11    HA   GLU   2           HA       GLU   2   2.985  -2.877   0.483
   12    HB2  GLU   2           HB2      GLU   2   4.734  -3.401  -1.925
   13    HB3  GLU   2           HB3      GLU   2   4.193  -4.639  -0.801
   14    HG2  GLU   2           HG2      GLU   2   2.242  -2.891  -2.249
   15    HG3  GLU   2           HG3      GLU   2   2.910  -4.344  -2.991
   16    H    ASN   3           H        ASN   3   4.860  -0.705   1.130
   17    HA   ASN   3           HA       ASN   3   6.910  -2.357   2.422
   18    HB2  ASN   3           HB2      ASN   3   7.344   0.030   0.668
   19    HB3  ASN   3           HB3      ASN   3   8.434  -0.244   2.024
   20   HD21  ASN   3          HD21      ASN   3   7.260  -1.489  -1.010
   21   HD22  ASN   3          HD22      ASN   3   8.546  -2.613  -1.272
   22    H    THR   4           H        THR   4   7.986  -1.187   4.238
   23    HA   THR   4           HA       THR   4   5.969   0.137   5.832
   24    HB   THR   4           HB       THR   4   7.309  -1.531   6.942
   25    HG1  THR   4           HG1      THR   4   7.893  -0.301   8.713
   26   HG21  THR   4          HG21      THR   4   9.829  -0.652   7.313
   27   HG22  THR   4          HG22      THR   4   9.535  -0.057   5.679
   28   HG23  THR   4          HG23      THR   4   9.370  -1.776   6.035
   29    H    SER   5           H        SER   5   6.255   1.887   3.959
   30    HA   SER   5           HA       SER   5   7.738   4.066   5.210
   31    HB2  SER   5           HB2      SER   5   9.410   3.698   3.691
   32    HB3  SER   5           HB3      SER   5   8.335   2.903   2.540
   33    HG   SER   5           HG       SER   5   9.185   5.105   2.022
   34    H    ILE   6           H        ILE   6   5.768   3.252   2.350
   35    HA   ILE   6           HA       ILE   6   4.494   5.843   2.390
   36    HB   ILE   6           HB       ILE   6   3.851   3.423   0.701
   37   HG12  ILE   6          HG12      ILE   6   6.141   4.197   0.328
   38   HG13  ILE   6          HG13      ILE   6   5.130   4.581  -1.061
   39   HG21  ILE   6          HG21      ILE   6   2.823   6.213   0.782
   40   HG22  ILE   6          HG22      ILE   6   2.976   5.415  -0.783
   41   HG23  ILE   6          HG23      ILE   6   1.967   4.702   0.476
   42   HD11  ILE   6          HD11      ILE   6   5.959   6.499   1.104
   43   HD12  ILE   6          HD12      ILE   6   6.623   6.413  -0.528
   44   HD13  ILE   6          HD13      ILE   6   4.941   6.885  -0.284
   45    H    THR   7           H        THR   7   3.449   2.473   2.863
   46    HA   THR   7           HA       THR   7   0.775   3.034   3.498
   47    HB   THR   7           HB       THR   7   1.650   0.767   2.945
   48    HG1  THR   7           HG1      THR   7  -0.388   1.132   4.077
   49   HG21  THR   7          HG21      THR   7   3.543   1.205   4.813
   50   HG22  THR   7          HG22      THR   7   3.063  -0.404   4.275
   51   HG23  THR   7          HG23      THR   7   2.390   0.266   5.760
   52    H    ILE   8           H        ILE   8   3.685   3.107   5.429
   53    HA   ILE   8           HA       ILE   8   2.245   3.341   7.928
   54    HB   ILE   8           HB       ILE   8   4.448   3.640   8.956
   55   HG12  ILE   8          HG12      ILE   8   6.343   3.101   7.089
   56   HG13  ILE   8          HG13      ILE   8   5.226   4.072   6.136
   57   HG21  ILE   8          HG21      ILE   8   5.070   1.439   8.789
   58   HG22  ILE   8          HG22      ILE   8   3.443   1.369   8.115
   59   HG23  ILE   8          HG23      ILE   8   4.841   1.393   7.041
   60   HD11  ILE   8          HD11      ILE   8   6.741   5.611   6.984
   61   HD12  ILE   8          HD12      ILE   8   5.356   5.749   8.067
   62   HD13  ILE   8          HD13      ILE   8   6.782   4.842   8.570
   63    H    GLU   9           H        GLU   9   3.860   5.442   5.631
   64    HA   GLU   9           HA       GLU   9   4.011   7.761   7.204
   65    HB2  GLU   9           HB2      GLU   9   4.172   7.108   4.336
   66    HB3  GLU   9           HB3      GLU   9   3.654   8.751   4.689
   67    HG2  GLU   9           HG2      GLU   9   5.651   9.294   5.733
   68    HG3  GLU   9           HG3      GLU   9   6.081   7.606   6.005
   69    H    PHE  10           H        PHE  10   1.401   6.388   5.302
   70    HA   PHE  10           HA       PHE  10  -0.297   8.703   5.666
   71    HB2  PHE  10           HB2      PHE  10  -0.354   7.279   3.600
   72    HB3  PHE  10           HB3      PHE  10  -1.039   5.983   4.575
   73    HD1  PHE  10           HD1      PHE  10  -3.313   5.733   4.505
   74    HD2  PHE  10           HD2      PHE  10  -1.650   9.607   3.916
   75    HE1  PHE  10           HE1      PHE  10  -5.568   6.639   4.122
   76    HE2  PHE  10           HE2      PHE  10  -3.903  10.519   3.533
   77    HZ   PHE  10           HZ       PHE  10  -5.865   9.035   3.635
   78    H    SER  11           H        SER  11  -0.200   5.342   6.805
   79    HA   SER  11           HA       SER  11  -2.511   5.442   8.392
   80    HB2  SER  11           HB2      SER  11  -1.566   3.305   7.857
   81    HB3  SER  11           HB3      SER  11  -0.024   3.736   8.596
   82    HG   SER  11           HG       SER  11  -1.649   2.389   9.828
   83    H    SER  12           H        SER  12   0.733   6.561   8.948
   84    HA   SER  12           HA       SER  12   0.335   6.924  11.793
   85    HB2  SER  12           HB2      SER  12   2.561   6.344  11.092
   86    HB3  SER  12           HB3      SER  12   2.602   7.677   9.938
   87    HG   SER  12           HG       SER  12   2.670   9.120  11.626
   88    H    LYS  13           H        LYS  13   0.890   9.056   8.993
   89    HA   LYS  13           HA       LYS  13   0.629  11.502  10.246
   90    HB2  LYS  13           HB2      LYS  13   0.143  10.521   7.476
   91    HB3  LYS  13           HB3      LYS  13  -0.455  12.122   7.891
   92    HG2  LYS  13           HG2      LYS  13   2.012  12.381   8.832
   93    HG3  LYS  13           HG3      LYS  13   2.326  11.144   7.613
   94    HD2  LYS  13           HD2      LYS  13   2.607  13.016   6.334
   95    HD3  LYS  13           HD3      LYS  13   0.873  12.773   6.114
   96    HE2  LYS  13           HE2      LYS  13   0.936  15.006   6.647
   97    HE3  LYS  13           HE3      LYS  13   0.700  14.290   8.241
   98    HZ1  LYS  13           HZ1      LYS  13   2.947  14.601   8.779
   99    HZ2  LYS  13           HZ2      LYS  13   2.472  16.052   8.051
  100    HZ3  LYS  13           HZ3      LYS  13   3.388  14.928   7.179
  101    H    PHE  14           H        PHE  14  -1.845   9.216   9.335
  102    HA   PHE  14           HA       PHE  14  -3.792  10.703  10.884
  103    HB2  PHE  14           HB2      PHE  14  -4.163  11.713   8.734
  104    HB3  PHE  14           HB3      PHE  14  -4.170  10.142   7.940
  105    HD1  PHE  14           HD1      PHE  14  -6.189   9.150   7.461
  106    HD2  PHE  14           HD2      PHE  14  -5.987  12.027  10.591
  107    HE1  PHE  14           HE1      PHE  14  -8.631   9.025   7.729
  108    HE2  PHE  14           HE2      PHE  14  -8.429  11.906  10.865
  109    HZ   PHE  14           HZ       PHE  14  -9.755  10.404   9.432