*HEADER    ANTIMICROBIAL PROTEIN                   21-MAY-19   6RSM              
*TITLE     SOLUTION NMR STRUCTURE OF THE PEPTIDE 12530 FROM MEDICINAL LEECH      
*TITLE    2 HIRUDO MEDICINALIS IN DODECYLPHOSPHOCHOLINE MICELLES                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE 12530;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS;                             
*SOURCE   4 ORGANISM_TAXID: 6421                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDES, MEDICINAL LEECH, HIRUDO MEDICINALIS, GENOME,  
*KEYWDS   2 PREDICTION ALGORITHM, DOOECYLPHOSPHOCHOLINE MICELLES, ANTIMICROBIAL  
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    I.A.TALYZINA,K.D.NADEZHDIN,E.N.GRAFSKAIA,A.S.ARSENIEV,V.N.LAZAREV     
*REVDAT   1   24-JUL-19 6RSM    0                                                
# Restraints file 1: talos-n.aco

#    7 W  -60.790  -31.572    5.452    7.580    0.419 0.691 25 15 Strong
   7   TRP  PHI     -80.8   -40.8
   7   TRP  PSI     -51.6   -11.6

#    8 K  -64.246  -32.876    6.633    8.456    0.421 0.765 25 15 Strong
   8   LYS  PHI     -84.2   -44.2
   8   LYS  PSI     -52.9   -12.9

#    9 S  -71.580  -22.191    9.275    8.391    0.380 0.763 25 15 Strong
   9   SER  PHI     -91.6   -51.6
   9   SER  PSI     -42.2    -2.2

#   10 F  -81.865  -20.284   12.704   12.129    0.385 0.741 25 15 Strong
  10   PHE  PHI    -107.3   -56.5
  10   PHE  PSI     -44.5     4.0
# Restraints file 2: pep12530.upl
  1 LYS  QB      1 LYS  QG      2.73  #peak 4 #plist 1
  1 LYS  QB      1 LYS  QD      3.60  #peak 5 #plist 1
  6 ILE  QG2     6 ILE  HG13    3.14  #peak 9 #plist 1
  6 ILE  H       6 ILE  QG2     3.89  #peak 10 #plist 1
  6 ILE  QG2     6 ILE  HG12    3.31  #peak 11 #plist 1
  6 ILE  HA      6 ILE  QG2     3.16  #peak 12 #plist 1
  6 ILE  QG2     9 SER  H       3.63  #peak 16 #plist 1
  8 LYS  QD      9 SER  H       4.04  #peak 18 #plist 1
  9 SER  H      10 PHE  H       3.19  #peak 19 #plist 1
  8 LYS  QB      9 SER  H       3.97  #peak 20 #plist 1
  9 SER  H       9 SER  QB      3.38  #peak 21 #plist 1
  8 LYS  HA      9 SER  H       3.48  #peak 22 #plist 1
  8 LYS  QG      9 SER  H       4.33  #peak 24 #plist 1
  5 VAL  HA      5 VAL  QG1     3.24  #peak 35 #plist 1
  6 ILE  HA      6 ILE  HG13    4.16  #peak 49 #plist 1
  3 LYS  HG3     3 LYS  QD      2.65  #peak 55 #plist 1
  3 LYS  HB3     3 LYS  HG3     2.71  #peak 58 #plist 1
  1 LYS  QB      2 PHE  H       4.26  #peak 61 #plist 1
  1 LYS  HA      2 PHE  H       3.53  #peak 63 #plist 1
  2 PHE  H       2 PHE  HB2     3.94  #peak 66 #plist 1
  2 PHE  H       2 PHE  QD      4.96  #peak 67 #plist 1
 11 LEU  HA     11 LEU  QD1     4.54  #peak 71 #plist 1
 11 LEU  HB3    11 LEU  QD1     3.16  #peak 74 #plist 1
  5 VAL  H       5 VAL  QG1     3.21  #peak 94 #plist 1
  4 LYS  HG2     5 VAL  H       4.78  #peak 95 #plist 1
  5 VAL  H       5 VAL  HB      3.24  #peak 97 #plist 1
  4 LYS  HG3     5 VAL  H       4.54  #peak 98 #plist 1
  4 LYS  QB      5 VAL  H       3.83  #peak 99 #plist 1
  4 LYS  HA      5 VAL  H       2.90  #peak 101 #plist 1
  5 VAL  H       5 VAL  QG2     3.85  #peak 102 #plist 1
 10 PHE  H      11 LEU  H       3.25  #peak 107 #plist 1
  9 SER  QB     10 PHE  H       3.97  #peak 108 #plist 1
 10 PHE  H      10 PHE  QB      3.13  #peak 109 #plist 1
  9 SER  HA     10 PHE  H       3.50  #peak 111 #plist 1
  8 LYS  QB      8 LYS  QZ      4.35  #peak 146 #plist 1
  5 VAL  QG1     6 ILE  H       3.33  #peak 159 #plist 1
  6 ILE  H       6 ILE  HG13    3.75  #peak 160 #plist 1
  5 VAL  HB      6 ILE  H       4.23  #peak 161 #plist 1
  5 VAL  HA      6 ILE  H       2.93  #peak 163 #plist 1
  6 ILE  H       6 ILE  HG12    3.74  #peak 164 #plist 1
  6 ILE  H       6 ILE  HB      3.33  #peak 166 #plist 1
  6 ILE  H       6 ILE  QD1     4.06  #peak 167 #plist 1
  5 VAL  QG2     6 ILE  H       3.73  #peak 168 #plist 1
 10 PHE  H      10 PHE  QD      5.38  #peak 171 #plist 1
 10 PHE  HA     10 PHE  QD      3.99  #peak 175 #plist 1
  4 LYS  HG2     4 LYS  QZ      5.50  #peak 202 #plist 1
  4 LYS  HG3     4 LYS  QZ      5.50  #peak 203 #plist 1
  4 LYS  QB      4 LYS  QZ      5.50  #peak 213 #plist 1
  7 TRP  QB      7 TRP  HE3     3.97  #peak 220 #plist 1
 11 LEU  H      11 LEU  QD1     4.69  #peak 240 #plist 1
 10 PHE  QB     11 LEU  H       3.96  #peak 244 #plist 1
 11 LEU  H      11 LEU  HB2     3.24  #peak 245 #plist 1
  8 LYS  QB      8 LYS  QE      4.67  #peak 262 #plist 1
  8 LYS  QG      8 LYS  QE      3.58  #peak 267 #plist 1
  4 LYS  HG3     4 LYS  QD      2.61  #peak 285 #plist 1
  4 LYS  QD      4 LYS  QZ      4.08  #peak 286 #plist 1
  4 LYS  HA      4 LYS  QD      4.37  #peak 289 #plist 1
  4 LYS  QD      4 LYS  QE      2.95  #peak 291 #plist 1
  2 PHE  HB2     3 LYS  H       4.40  #peak 299 #plist 1
  4 LYS  H       4 LYS  HG2     4.10  #peak 322 #plist 1
  4 LYS  H       4 LYS  HG3     3.91  #peak 323 #plist 1
  4 LYS  H       4 LYS  QZ      5.50  #peak 324 #plist 1
  4 LYS  H       4 LYS  QB      3.09  #peak 325 #plist 1
  3 LYS  HA      4 LYS  H       2.92  #peak 326 #plist 1
  4 LYS  H       4 LYS  QD      4.03  #peak 327 #plist 1
  2 PHE  HA      2 PHE  QD      3.50  #peak 337 #plist 1
  7 TRP  HH2    11 LEU  HA      3.92  #peak 339 #plist 1
  1 LYS  HA      1 LYS  QD      3.93  #peak 358 #plist 1
  3 LYS  HA      3 LYS  QE      5.50  #peak 380 #plist 1
  3 LYS  HB3     3 LYS  QE      5.18  #peak 384 #plist 1
 10 PHE  QE     10 PHE  HZ      2.40  #peak 394 #plist 1
 10 PHE  H      10 PHE  QE      4.69  #peak 395 #plist 1
  4 LYS  HG2     4 LYS  QE      3.99  #peak 400 #plist 1
  4 LYS  HG3     4 LYS  QE      3.97  #peak 401 #plist 1
  4 LYS  QB      4 LYS  QE      4.40  #peak 403 #plist 1
  4 LYS  H       4 LYS  QE      5.50  #peak 406 #plist 1
  8 LYS  HA      8 LYS  QZ      5.34  #peak 428 #plist 1
 11 LEU  HB2    11 LEU  QD1     3.47  #peak 452 #plist 1
 11 LEU  HB2    11 LEU  QD2     3.68  #peak 457 #plist 1
  8 LYS  H       8 LYS  QD      3.32  #peak 459 #plist 1
  8 LYS  H       8 LYS  QB      3.64  #peak 460 #plist 1
  7 TRP  QB      8 LYS  H       3.58  #peak 461 #plist 1
  8 LYS  H       8 LYS  QZ      5.17  #peak 464 #plist 1
  8 LYS  H       8 LYS  QG      3.58  #peak 466 #plist 1
  7 TRP  HA      8 LYS  H       3.54  #peak 467 #plist 1
  1 LYS  QB      1 LYS  QE      5.50  #peak 468 #plist 1
  1 LYS  HA      1 LYS  QE      5.42  #peak 469 #plist 1
  3 LYS  H       3 LYS  HG3     3.95  #peak 473 #plist 1
  3 LYS  H       3 LYS  HG2     4.28  #peak 474 #plist 1
  2 PHE  HB3     3 LYS  H       3.87  #peak 475 #plist 1
  3 LYS  H       3 LYS  QD      4.00  #peak 477 #plist 1
  3 LYS  H       4 LYS  H       3.76  #peak 480 #plist 1
  3 LYS  H       3 LYS  QE      3.56  #peak 481 #plist 1
  2 PHE  HA      3 LYS  H       2.98  #peak 482 #plist 1
  3 LYS  H       3 LYS  HB3     3.74  #peak 483 #plist 1
  3 LYS  H       3 LYS  HB2     3.93  #peak 485 #plist 1
  6 ILE  HA      6 ILE  QD1     3.75  #peak 490 #plist 1
  6 ILE  HB      6 ILE  QD1     3.52  #peak 491 #plist 1
  5 VAL  HA      5 VAL  QG2     3.35  #peak 513 #plist 1
  8 LYS  HA      8 LYS  QG      3.84  #peak 519 #plist 1
 11 LEU  H      11 LEU  HB3     3.75  #peak 525 #plist 1
  3 LYS  HB2     3 LYS  QE      5.50  #peak 535 #plist 1
 11 LEU  HA     11 LEU  QD2     3.08  #peak 550 #plist 1
 11 LEU  H      11 LEU  QD2     4.27  #peak 551 #plist 1
 11 LEU  HB3    11 LEU  QD2     2.89  #peak 553 #plist 1
  7 TRP  QB      7 TRP  HD1     3.17  #peak 558 #plist 1
 11 LEU  HA     11 LEU  HG      4.00  #peak 566 #plist 1
 11 LEU  H      11 LEU  HG      3.89  #peak 567 #plist 1
  6 ILE  QG2     7 TRP  H       3.70  #peak 572 #plist 1
  6 ILE  H       7 TRP  H       3.67  #peak 574 #plist 1
  7 TRP  H       7 TRP  QB      3.13  #peak 576 #plist 1
  6 ILE  HA      7 TRP  H       2.94  #peak 578 #plist 1
  6 ILE  HB      7 TRP  H       3.81  #peak 579 #plist 1
# Restraints file 3: hbond.lol
  7 TRP  O      11 LEU  H       1.70  9.00E+00
  7 TRP  C      11 LEU  H       2.60  9.00E+00
  7 TRP  O      11 LEU  N       2.60  9.00E+00
# Restraints file 4: hbond.upl
  7 TRP  O      11 LEU  H       2.20  9.00E+00
  7 TRP  C      11 LEU  H       3.30  9.00E+00
  7 TRP  O      11 LEU  N       3.30  9.00E+00
# Restraints file 5: talos-n_1yUx8SW.aco

#    7 W  -60.790  -31.572    5.452    7.580    0.419 0.691 25 15 Strong
   7   TRP  PHI     -80.8   -40.8
   7   TRP  PSI     -51.6   -11.6

#    8 K  -64.246  -32.876    6.633    8.456    0.421 0.765 25 15 Strong
   8   LYS  PHI     -84.2   -44.2
   8   LYS  PSI     -52.9   -12.9

#    9 S  -71.580  -22.191    9.275    8.391    0.380 0.763 25 15 Strong
   9   SER  PHI     -91.6   -51.6
   9   SER  PSI     -42.2    -2.2

#   10 F  -81.865  -20.284   12.704   12.129    0.385 0.741 25 15 Strong
  10   PHE  PHI    -107.3   -56.5
  10   PHE  PSI     -44.5     4.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H        LYS   1   1.806   0.000   0.856
    2    HA   LYS   1           HA       LYS   1   2.927  -0.677  -1.116
    3    HB2  LYS   1           HB2      LYS   1   0.229  -0.690  -2.030
    4    HB3  LYS   1           HB3      LYS   1   1.171   0.287  -3.149
    5    HG2  LYS   1           HG2      LYS   1   2.514  -1.486  -3.774
    6    HG3  LYS   1           HG3      LYS   1   2.168  -2.399  -2.304
    7    HD2  LYS   1           HD2      LYS   1   0.849  -3.561  -3.749
    8    HD3  LYS   1           HD3      LYS   1  -0.300  -2.299  -3.300
    9    HE2  LYS   1           HE2      LYS   1  -0.128  -1.235  -5.317
   10    HE3  LYS   1           HE3      LYS   1   1.527  -1.781  -5.587
   11    HZ1  LYS   1           HZ1      LYS   1  -0.947  -3.396  -5.874
   12    HZ2  LYS   1           HZ2      LYS   1   0.089  -2.893  -7.113
   13    HZ3  LYS   1           HZ3      LYS   1   0.617  -4.031  -5.978
   14    H    PHE   2           H        PHE   2   4.183   0.606  -2.539
   15    HA   PHE   2           HA       PHE   2   4.052   3.454  -1.903
   16    HB2  PHE   2           HB2      PHE   2   6.229   1.869  -3.283
   17    HB3  PHE   2           HB3      PHE   2   6.337   3.557  -2.793
   18    HD1  PHE   2           HD1      PHE   2   6.599   4.164  -0.466
   19    HD2  PHE   2           HD2      PHE   2   6.351   0.086  -1.662
   20    HE1  PHE   2           HE1      PHE   2   7.446   3.470   1.737
   21    HE2  PHE   2           HE2      PHE   2   7.197  -0.614   0.540
   22    HZ   PHE   2           HZ       PHE   2   7.745   1.078   2.243
   23    H    LYS   3           H        LYS   3   3.540   4.991  -3.340
   24    HA   LYS   3           HA       LYS   3   2.732   4.140  -6.011
   25    HB2  LYS   3           HB2      LYS   3   1.596   6.281  -6.159
   26    HB3  LYS   3           HB3      LYS   3   1.172   5.485  -4.649
   27    HG2  LYS   3           HG2      LYS   3   3.474   7.273  -4.440
   28    HG3  LYS   3           HG3      LYS   3   1.970   8.077  -4.897
   29    HD2  LYS   3           HD2      LYS   3   2.263   6.219  -2.538
   30    HD3  LYS   3           HD3      LYS   3   2.360   7.979  -2.438
   31    HE2  LYS   3           HE2      LYS   3   0.022   7.569  -3.823
   32    HE3  LYS   3           HE3      LYS   3   0.031   6.235  -2.670
   33    HZ1  LYS   3           HZ1      LYS   3  -0.583   7.636  -1.091
   34    HZ2  LYS   3           HZ2      LYS   3   0.803   8.576  -1.335
   35    HZ3  LYS   3           HZ3      LYS   3  -0.611   8.912  -2.202
   36    H    LYS   4           H        LYS   4   5.475   4.113  -5.663
   37    HA   LYS   4           HA       LYS   4   6.812   6.472  -6.380
   38    HB2  LYS   4           HB2      LYS   4   7.543   3.582  -6.876
   39    HB3  LYS   4           HB3      LYS   4   8.634   4.935  -7.144
   40    HG2  LYS   4           HG2      LYS   4   8.793   5.412  -4.864
   41    HG3  LYS   4           HG3      LYS   4   7.355   4.465  -4.475
   42    HD2  LYS   4           HD2      LYS   4   8.638   2.695  -4.075
   43    HD3  LYS   4           HD3      LYS   4   9.210   2.736  -5.744
   44    HE2  LYS   4           HE2      LYS   4  10.736   4.676  -4.762
   45    HE3  LYS   4           HE3      LYS   4  10.473   3.781  -3.267
   46    HZ1  LYS   4           HZ1      LYS   4  12.013   2.349  -3.909
   47    HZ2  LYS   4           HZ2      LYS   4  11.097   1.941  -5.273
   48    HZ3  LYS   4           HZ3      LYS   4  12.238   3.187  -5.362
   49    H    VAL   5           H        VAL   5   8.162   6.482  -8.535
   50    HA   VAL   5           HA       VAL   5   6.191   6.457 -10.693
   51    HB   VAL   5           HB       VAL   5   8.979   7.614 -10.749
   52   HG11  VAL   5          HG11      VAL   5   6.933   8.827 -12.420
   53   HG12  VAL   5          HG12      VAL   5   8.550   8.262 -12.841
   54   HG13  VAL   5          HG13      VAL   5   7.201   7.126 -12.802
   55   HG21  VAL   5          HG21      VAL   5   7.469   9.790 -10.565
   56   HG22  VAL   5          HG22      VAL   5   6.429   8.683  -9.668
   57   HG23  VAL   5          HG23      VAL   5   8.089   8.958  -9.138
   58    H    ILE   6           H        ILE   6   6.252   5.077 -12.356
   59    HA   ILE   6           HA       ILE   6   8.369   3.067 -12.395
   60    HB   ILE   6           HB       ILE   6   5.923   3.069 -14.145
   61   HG12  ILE   6          HG12      ILE   6   5.206   1.385 -12.182
   62   HG13  ILE   6          HG13      ILE   6   6.169   2.514 -11.236
   63   HG21  ILE   6          HG21      ILE   6   7.014   0.570 -13.070
   64   HG22  ILE   6          HG22      ILE   6   6.515   0.980 -14.711
   65   HG23  ILE   6          HG23      ILE   6   8.111   1.455 -14.131
   66   HD11  ILE   6          HD11      ILE   6   4.182   3.692 -13.070
   67   HD12  ILE   6          HD12      ILE   6   3.559   2.822 -11.668
   68   HD13  ILE   6          HD13      ILE   6   4.663   4.178 -11.444
   69    H    TRP   7           H        TRP   7   8.923   5.756 -13.326
   70    HA   TRP   7           HA       TRP   7   8.870   5.937 -16.134
   71    HB2  TRP   7           HB2      TRP   7   9.255   7.908 -14.790
   72    HB3  TRP   7           HB3      TRP   7  10.722   7.209 -14.110
   73    HD1  TRP   7           HD1      TRP   7  12.737   8.440 -15.076
   74    HE1  TRP   7           HE1      TRP   7  13.435   9.318 -17.392
   75    HE3  TRP   7           HE3      TRP   7   8.517   7.244 -17.702
   76    HZ2  TRP   7           HZ2      TRP   7  12.341   9.482 -19.989
   77    HZ3  TRP   7           HZ3      TRP   7   8.423   7.796 -20.098
   78    HH2  TRP   7           HH2      TRP   7  10.296   8.893 -21.216
   79    H    LYS   8           H        LYS   8  11.184   4.516 -13.897
   80    HA   LYS   8           HA       LYS   8  13.341   4.117 -15.598
   81    HB2  LYS   8           HB2      LYS   8  13.853   2.134 -14.119
   82    HB3  LYS   8           HB3      LYS   8  13.621   3.663 -13.280
   83    HG2  LYS   8           HG2      LYS   8  11.105   2.353 -13.463
   84    HG3  LYS   8           HG3      LYS   8  12.298   1.202 -12.856
   85    HD2  LYS   8           HD2      LYS   8  11.992   3.980 -11.736
   86    HD3  LYS   8           HD3      LYS   8  11.092   2.594 -11.114
   87    HE2  LYS   8           HE2      LYS   8  13.084   1.492 -10.447
   88    HE3  LYS   8           HE3      LYS   8  14.093   2.630 -11.337
   89    HZ1  LYS   8           HZ1      LYS   8  12.609   4.152  -9.583
   90    HZ2  LYS   8           HZ2      LYS   8  13.112   2.811  -8.683
   91    HZ3  LYS   8           HZ3      LYS   8  14.255   3.781  -9.466
   92    H    SER   9           H        SER   9  10.358   2.290 -15.271
   93    HA   SER   9           HA       SER   9  11.244   0.199 -17.059
   94    HB2  SER   9           HB2      SER   9   8.411   0.682 -16.139
   95    HB3  SER   9           HB3      SER   9   9.144  -0.836 -16.657
   96    HG   SER   9           HG       SER   9   9.807  -1.138 -14.694
   97    H    PHE  10           H        PHE  10   9.218   3.067 -17.198
   98    HA   PHE  10           HA       PHE  10   8.075   2.605 -19.732
   99    HB2  PHE  10           HB2      PHE  10   8.435   4.970 -17.959
  100    HB3  PHE  10           HB3      PHE  10   8.040   5.273 -19.648
  101    HD1  PHE  10           HD1      PHE  10   6.923   2.762 -17.119
  102    HD2  PHE  10           HD2      PHE  10   5.825   5.777 -19.915
  103    HE1  PHE  10           HE1      PHE  10   4.548   2.343 -16.632
  104    HE2  PHE  10           HE2      PHE  10   3.448   5.365 -19.432
  105    HZ   PHE  10           HZ       PHE  10   2.807   3.646 -17.788
  106    H    LEU  11           H        LEU  11  11.036   4.260 -18.732
  107    HA   LEU  11           HA       LEU  11  11.814   5.390 -21.127
  108    HB2  LEU  11           HB2      LEU  11  12.939   5.038 -18.639
  109    HB3  LEU  11           HB3      LEU  11  14.026   4.141 -19.698
  110    HG   LEU  11           HG       LEU  11  13.303   7.060 -19.951
  111   HD11  LEU  11          HD11      LEU  11  15.487   7.539 -19.197
  112   HD12  LEU  11          HD12      LEU  11  14.826   6.366 -18.058
  113   HD13  LEU  11          HD13      LEU  11  15.974   5.847 -19.293
  114   HD21  LEU  11          HD21      LEU  11  13.876   6.801 -22.090
  115   HD22  LEU  11          HD22      LEU  11  15.521   6.540 -21.509
  116   HD23  LEU  11          HD23      LEU  11  14.466   5.161 -21.818
  Start of MODEL    2
    1    H1   LYS   1           H        LYS   1   5.349  -1.456  -6.509
    2    HA   LYS   1           HA       LYS   1   2.534  -1.448  -5.986
    3    HB2  LYS   1           HB2      LYS   1   4.906  -2.614  -4.824
    4    HB3  LYS   1           HB3      LYS   1   3.900  -1.899  -3.571
    5    HG2  LYS   1           HG2      LYS   1   2.837  -3.802  -5.640
    6    HG3  LYS   1           HG3      LYS   1   3.470  -4.321  -4.076
    7    HD2  LYS   1           HD2      LYS   1   1.431  -3.987  -3.244
    8    HD3  LYS   1           HD3      LYS   1   1.693  -2.258  -3.482
    9    HE2  LYS   1           HE2      LYS   1  -0.382  -2.889  -4.524
   10    HE3  LYS   1           HE3      LYS   1   0.790  -2.485  -5.777
   11    HZ1  LYS   1           HZ1      LYS   1   0.621  -4.511  -6.627
   12    HZ2  LYS   1           HZ2      LYS   1   0.887  -5.252  -5.129
   13    HZ3  LYS   1           HZ3      LYS   1  -0.679  -4.798  -5.583
   14    H    PHE   2           H        PHE   2   5.293   0.484  -4.955
   15    HA   PHE   2           HA       PHE   2   3.933   1.963  -2.961
   16    HB2  PHE   2           HB2      PHE   2   6.442   2.490  -4.549
   17    HB3  PHE   2           HB3      PHE   2   5.846   3.617  -3.335
   18    HD1  PHE   2           HD1      PHE   2   6.397   3.334  -1.098
   19    HD2  PHE   2           HD2      PHE   2   6.894   0.086  -3.804
   20    HE1  PHE   2           HE1      PHE   2   7.546   2.050   0.659
   21    HE2  PHE   2           HE2      PHE   2   8.043  -1.203  -2.051
   22    HZ   PHE   2           HZ       PHE   2   8.370  -0.222   0.184
   23    H    LYS   3           H        LYS   3   3.793   4.447  -3.174
   24    HA   LYS   3           HA       LYS   3   2.169   5.000  -5.547
   25    HB2  LYS   3           HB2      LYS   3   1.277   6.889  -4.268
   26    HB3  LYS   3           HB3      LYS   3   1.117   5.386  -3.370
   27    HG2  LYS   3           HG2      LYS   3   3.547   6.347  -2.525
   28    HG3  LYS   3           HG3      LYS   3   2.578   7.811  -2.711
   29    HD2  LYS   3           HD2      LYS   3   2.230   7.084  -0.491
   30    HD3  LYS   3           HD3      LYS   3   0.778   6.619  -1.380
   31    HE2  LYS   3           HE2      LYS   3   2.767   4.536  -1.497
   32    HE3  LYS   3           HE3      LYS   3   2.421   4.975   0.175
   33    HZ1  LYS   3           HZ1      LYS   3  -0.036   4.852  -0.972
   34    HZ2  LYS   3           HZ2      LYS   3   0.785   3.575  -1.718
   35    HZ3  LYS   3           HZ3      LYS   3   0.671   3.637  -0.031
   36    H    LYS   4           H        LYS   4   4.942   4.958  -5.937
   37    HA   LYS   4           HA       LYS   4   5.545   7.816  -6.333
   38    HB2  LYS   4           HB2      LYS   4   7.878   7.318  -6.162
   39    HB3  LYS   4           HB3      LYS   4   7.080   6.577  -4.782
   40    HG2  LYS   4           HG2      LYS   4   7.069   4.605  -6.740
   41    HG3  LYS   4           HG3      LYS   4   8.657   5.365  -6.869
   42    HD2  LYS   4           HD2      LYS   4   7.531   4.556  -4.208
   43    HD3  LYS   4           HD3      LYS   4   8.369   3.392  -5.237
   44    HE2  LYS   4           HE2      LYS   4  10.382   4.275  -4.791
   45    HE3  LYS   4           HE3      LYS   4   9.788   5.930  -4.918
   46    HZ1  LYS   4           HZ1      LYS   4  10.346   4.442  -2.599
   47    HZ2  LYS   4           HZ2      LYS   4   9.855   6.056  -2.723
   48    HZ3  LYS   4           HZ3      LYS   4   8.699   4.827  -2.605
   49    H    VAL   5           H        VAL   5   7.129   8.141  -8.216
   50    HA   VAL   5           HA       VAL   5   6.160   6.551 -10.498
   51    HB   VAL   5           HB       VAL   5   7.243   9.372 -10.494
   52   HG11  VAL   5          HG11      VAL   5   6.289   7.553 -12.680
   53   HG12  VAL   5          HG12      VAL   5   6.240   9.308 -12.854
   54   HG13  VAL   5          HG13      VAL   5   7.780   8.490 -12.590
   55   HG21  VAL   5          HG21      VAL   5   4.478   8.241 -10.456
   56   HG22  VAL   5          HG22      VAL   5   5.143   9.612  -9.567
   57   HG23  VAL   5          HG23      VAL   5   4.788   9.765 -11.288
   58    H    ILE   6           H        ILE   6   7.586   5.706 -11.966
   59    HA   ILE   6           HA       ILE   6  10.434   6.261 -11.670
   60    HB   ILE   6           HB       ILE   6   9.916   3.393 -11.941
   61   HG12  ILE   6          HG12      ILE   6   9.197   4.833  -9.382
   62   HG13  ILE   6          HG13      ILE   6   8.137   3.829 -10.366
   63   HG21  ILE   6          HG21      ILE   6  12.119   4.643 -11.604
   64   HG22  ILE   6          HG22      ILE   6  11.634   4.788  -9.915
   65   HG23  ILE   6          HG23      ILE   6  11.850   3.193 -10.637
   66   HD11  ILE   6          HD11      ILE   6   9.518   1.878  -9.827
   67   HD12  ILE   6          HD12      ILE   6  10.534   2.895  -8.806
   68   HD13  ILE   6          HD13      ILE   6   8.840   2.640  -8.388
   69    H    TRP   7           H        TRP   7  10.784   6.989 -13.686
   70    HA   TRP   7           HA       TRP   7   9.472   6.126 -16.007
   71    HB2  TRP   7           HB2      TRP   7  10.614   8.255 -15.960
   72    HB3  TRP   7           HB3      TRP   7  12.160   7.466 -15.660
   73    HD1  TRP   7           HD1      TRP   7  13.570   7.735 -17.775
   74    HE1  TRP   7           HE1      TRP   7  13.183   7.442 -20.302
   75    HE3  TRP   7           HE3      TRP   7   8.566   6.688 -17.713
   76    HZ2  TRP   7           HZ2      TRP   7  11.040   6.846 -22.040
   77    HZ3  TRP   7           HZ3      TRP   7   7.423   6.269 -19.852
   78    HH2  TRP   7           HH2      TRP   7   8.636   6.347 -21.969
   79    H    LYS   8           H        LYS   8  12.511   5.094 -14.530
   80    HA   LYS   8           HA       LYS   8  13.533   3.489 -16.530
   81    HB2  LYS   8           HB2      LYS   8  14.727   2.292 -14.799
   82    HB3  LYS   8           HB3      LYS   8  14.681   4.003 -14.395
   83    HG2  LYS   8           HG2      LYS   8  12.548   3.280 -13.033
   84    HG3  LYS   8           HG3      LYS   8  13.337   1.701 -13.081
   85    HD2  LYS   8           HD2      LYS   8  14.716   4.221 -12.170
   86    HD3  LYS   8           HD3      LYS   8  13.877   3.121 -11.073
   87    HE2  LYS   8           HE2      LYS   8  16.034   2.177 -12.939
   88    HE3  LYS   8           HE3      LYS   8  16.401   2.825 -11.342
   89    HZ1  LYS   8           HZ1      LYS   8  15.403   1.057 -10.296
   90    HZ2  LYS   8           HZ2      LYS   8  14.417   0.671 -11.615
   91    HZ3  LYS   8           HZ3      LYS   8  16.065   0.294 -11.652
   92    H    SER   9           H        SER   9  10.939   2.816 -14.259
   93    HA   SER   9           HA       SER   9  10.700   0.061 -15.124
   94    HB2  SER   9           HB2      SER   9  10.251   0.886 -12.752
   95    HB3  SER   9           HB3      SER   9   8.755   1.577 -13.381
   96    HG   SER   9           HG       SER   9   8.486  -0.547 -12.515
   97    H    PHE  10           H        PHE  10   9.055   3.129 -15.606
   98    HA   PHE  10           HA       PHE  10   6.751   2.174 -16.888
   99    HB2  PHE  10           HB2      PHE  10   8.181   4.777 -16.750
  100    HB3  PHE  10           HB3      PHE  10   7.021   4.569 -18.058
  101    HD1  PHE  10           HD1      PHE  10   6.993   3.429 -14.510
  102    HD2  PHE  10           HD2      PHE  10   5.128   5.767 -17.539
  103    HE1  PHE  10           HE1      PHE  10   5.158   3.966 -12.961
  104    HE2  PHE  10           HE2      PHE  10   3.291   6.309 -15.994
  105    HZ   PHE  10           HZ       PHE  10   3.305   5.409 -13.702
  106    H    LEU  11           H        LEU  11   9.955   2.968 -18.124
  107    HA   LEU  11           HA       LEU  11   9.430   2.873 -20.857
  108    HB2  LEU  11           HB2      LEU  11  11.660   3.170 -19.261
  109    HB3  LEU  11           HB3      LEU  11  11.977   1.666 -20.124
  110    HG   LEU  11           HG       LEU  11  11.382   4.335 -21.403
  111   HD11  LEU  11          HD11      LEU  11  13.794   4.013 -22.185
  112   HD12  LEU  11          HD12      LEU  11  13.536   4.517 -20.514
  113   HD13  LEU  11          HD13      LEU  11  13.928   2.837 -20.878
  114   HD21  LEU  11          HD21      LEU  11  11.692   1.573 -22.450
  115   HD22  LEU  11          HD22      LEU  11  10.670   2.893 -23.018
  116   HD23  LEU  11          HD23      LEU  11  12.395   2.895 -23.382
  Start of MODEL    3
    1    H1   LYS   1           H        LYS   1   2.384   5.512   0.410
    2    HA   LYS   1           HA       LYS   1   0.649   4.776  -1.853
    3    HB2  LYS   1           HB2      LYS   1   2.814   6.798  -1.523
    4    HB3  LYS   1           HB3      LYS   1   2.625   6.045  -3.101
    5    HG2  LYS   1           HG2      LYS   1   1.367   8.032  -3.163
    6    HG3  LYS   1           HG3      LYS   1   0.198   6.720  -3.001
    7    HD2  LYS   1           HD2      LYS   1   0.087   7.145  -0.580
    8    HD3  LYS   1           HD3      LYS   1   1.222   8.482  -0.773
    9    HE2  LYS   1           HE2      LYS   1  -0.561   9.273  -2.552
   10    HE3  LYS   1           HE3      LYS   1  -1.637   8.275  -1.575
   11    HZ1  LYS   1           HZ1      LYS   1  -1.801  10.344  -0.596
   12    HZ2  LYS   1           HZ2      LYS   1  -0.641   9.590   0.377
   13    HZ3  LYS   1           HZ3      LYS   1  -0.161  10.706  -0.801
   14    H    PHE   2           H        PHE   2   1.028   2.590  -1.952
   15    HA   PHE   2           HA       PHE   2   3.657   1.473  -1.806
   16    HB2  PHE   2           HB2      PHE   2   0.998   0.318  -2.655
   17    HB3  PHE   2           HB3      PHE   2   2.484  -0.624  -2.592
   18    HD1  PHE   2           HD1      PHE   2   3.793  -0.067  -0.208
   19    HD2  PHE   2           HD2      PHE   2  -0.406  -0.108  -0.905
   20    HE1  PHE   2           HE1      PHE   2   3.405  -0.523   2.179
   21    HE2  PHE   2           HE2      PHE   2  -0.801  -0.563   1.480
   22    HZ   PHE   2           HZ       PHE   2   1.106  -0.770   3.026
   23    H    LYS   3           H        LYS   3   4.775   0.376  -3.505
   24    HA   LYS   3           HA       LYS   3   5.791   0.376  -5.546
   25    HB2  LYS   3           HB2      LYS   3   3.054   0.645  -6.761
   26    HB3  LYS   3           HB3      LYS   3   4.438  -0.262  -7.359
   27    HG2  LYS   3           HG2      LYS   3   2.658  -0.949  -5.036
   28    HG3  LYS   3           HG3      LYS   3   2.845  -1.826  -6.557
   29    HD2  LYS   3           HD2      LYS   3   4.945  -1.481  -4.416
   30    HD3  LYS   3           HD3      LYS   3   4.047  -2.958  -4.773
   31    HE2  LYS   3           HE2      LYS   3   5.119  -2.247  -7.215
   32    HE3  LYS   3           HE3      LYS   3   6.398  -1.836  -6.073
   33    HZ1  LYS   3           HZ1      LYS   3   6.367  -4.184  -7.007
   34    HZ2  LYS   3           HZ2      LYS   3   6.537  -4.026  -5.331
   35    HZ3  LYS   3           HZ3      LYS   3   5.042  -4.461  -5.992
   36    H    LYS   4           H        LYS   4   6.690   2.496  -5.135
   37    HA   LYS   4           HA       LYS   4   5.530   4.922  -5.819
   38    HB2  LYS   4           HB2      LYS   4   8.364   3.958  -5.689
   39    HB3  LYS   4           HB3      LYS   4   8.020   5.571  -6.301
   40    HG2  LYS   4           HG2      LYS   4   7.179   4.535  -3.601
   41    HG3  LYS   4           HG3      LYS   4   8.590   5.551  -3.909
   42    HD2  LYS   4           HD2      LYS   4   6.406   6.829  -5.138
   43    HD3  LYS   4           HD3      LYS   4   5.849   6.314  -3.544
   44    HE2  LYS   4           HE2      LYS   4   8.383   7.867  -4.057
   45    HE3  LYS   4           HE3      LYS   4   6.850   8.589  -3.571
   46    HZ1  LYS   4           HZ1      LYS   4   8.597   6.781  -2.016
   47    HZ2  LYS   4           HZ2      LYS   4   8.049   8.327  -1.603
   48    HZ3  LYS   4           HZ3      LYS   4   6.975   7.019  -1.599
   49    H    VAL   5           H        VAL   5   6.442   6.350  -7.664
   50    HA   VAL   5           HA       VAL   5   5.623   5.146 -10.129
   51    HB   VAL   5           HB       VAL   5   6.847   7.865  -9.640
   52   HG11  VAL   5          HG11      VAL   5   5.884   6.482 -12.054
   53   HG12  VAL   5          HG12      VAL   5   5.318   8.139 -11.848
   54   HG13  VAL   5          HG13      VAL   5   7.048   7.796 -11.884
   55   HG21  VAL   5          HG21      VAL   5   4.318   8.456 -10.062
   56   HG22  VAL   5          HG22      VAL   5   4.065   6.814  -9.470
   57   HG23  VAL   5          HG23      VAL   5   4.887   8.000  -8.456
   58    H    ILE   6           H        ILE   6   6.830   4.607 -11.904
   59    HA   ILE   6           HA       ILE   6   9.741   4.919 -11.748
   60    HB   ILE   6           HB       ILE   6   9.463   2.437 -12.920
   61   HG12  ILE   6          HG12      ILE   6   8.186   1.148 -11.163
   62   HG13  ILE   6          HG13      ILE   6   7.564   2.689 -10.582
   63   HG21  ILE   6          HG21      ILE   6  11.209   2.293 -11.551
   64   HG22  ILE   6          HG22      ILE   6  10.598   3.600 -10.536
   65   HG23  ILE   6          HG23      ILE   6  10.073   1.941 -10.250
   66   HD11  ILE   6          HD11      ILE   6   5.883   1.878 -11.960
   67   HD12  ILE   6          HD12      ILE   6   6.740   3.033 -12.982
   68   HD13  ILE   6          HD13      ILE   6   7.025   1.303 -13.176
   69    H    TRP   7           H        TRP   7   9.844   6.364 -13.412
   70    HA   TRP   7           HA       TRP   7   8.417   5.974 -15.871
   71    HB2  TRP   7           HB2      TRP   7   8.917   8.230 -15.085
   72    HB3  TRP   7           HB3      TRP   7  10.644   7.894 -15.155
   73    HD1  TRP   7           HD1      TRP   7   7.635   8.585 -17.426
   74    HE1  TRP   7           HE1      TRP   7   8.504   9.252 -19.756
   75    HE3  TRP   7           HE3      TRP   7  12.613   7.646 -16.736
   76    HZ2  TRP   7           HZ2      TRP   7  10.973   9.364 -21.120
   77    HZ3  TRP   7           HZ3      TRP   7  14.161   8.059 -18.603
   78    HH2  TRP   7           HH2      TRP   7  13.356   8.899 -20.749
   79    H    LYS   8           H        LYS   8  11.712   5.453 -14.737
   80    HA   LYS   8           HA       LYS   8  13.017   4.967 -17.122
   81    HB2  LYS   8           HB2      LYS   8  14.467   3.400 -15.754
   82    HB3  LYS   8           HB3      LYS   8  14.312   5.040 -15.140
   83    HG2  LYS   8           HG2      LYS   8  12.252   3.414 -14.012
   84    HG3  LYS   8           HG3      LYS   8  13.816   2.626 -13.790
   85    HD2  LYS   8           HD2      LYS   8  13.474   5.540 -13.180
   86    HD3  LYS   8           HD3      LYS   8  12.990   4.313 -12.006
   87    HE2  LYS   8           HE2      LYS   8  15.130   3.698 -11.566
   88    HE3  LYS   8           HE3      LYS   8  15.673   4.012 -13.214
   89    HZ1  LYS   8           HZ1      LYS   8  16.684   5.710 -12.107
   90    HZ2  LYS   8           HZ2      LYS   8  15.226   6.475 -12.496
   91    HZ3  LYS   8           HZ3      LYS   8  15.465   5.850 -10.942
   92    H    SER   9           H        SER   9  10.871   2.868 -15.297
   93    HA   SER   9           HA       SER   9  11.367   0.424 -16.483
   94    HB2  SER   9           HB2      SER   9   9.401   1.494 -14.788
   95    HB3  SER   9           HB3      SER   9   8.519   0.804 -16.150
   96    HG   SER   9           HG       SER   9   9.674  -0.463 -14.112
   97    H    PHE  10           H        PHE  10   9.511   3.148 -17.702
   98    HA   PHE  10           HA       PHE  10   8.667   1.667 -20.055
   99    HB2  PHE  10           HB2      PHE  10   8.182   4.502 -19.134
  100    HB3  PHE  10           HB3      PHE  10   7.612   3.882 -20.681
  101    HD1  PHE  10           HD1      PHE  10   7.387   3.368 -17.019
  102    HD2  PHE  10           HD2      PHE  10   5.615   2.681 -20.828
  103    HE1  PHE  10           HE1      PHE  10   5.366   2.497 -15.918
  104    HE2  PHE  10           HE2      PHE  10   3.591   1.810 -19.733
  105    HZ   PHE  10           HZ       PHE  10   3.464   1.718 -17.275
  106    H    LEU  11           H        LEU  11  10.831   4.330 -19.214
  107    HA   LEU  11           HA       LEU  11  12.451   5.424 -20.388
  108    HB2  LEU  11           HB2      LEU  11  12.977   2.745 -20.420
  109    HB3  LEU  11           HB3      LEU  11  13.042   3.146 -22.135
  110    HG   LEU  11           HG       LEU  11  14.676   4.502 -19.992
  111   HD11  LEU  11          HD11      LEU  11  16.456   3.128 -20.488
  112   HD12  LEU  11          HD12      LEU  11  15.104   1.999 -20.562
  113   HD13  LEU  11          HD13      LEU  11  15.792   2.650 -22.050
  114   HD21  LEU  11          HD21      LEU  11  15.121   4.570 -22.960
  115   HD22  LEU  11          HD22      LEU  11  14.080   5.741 -22.150
  116   HD23  LEU  11          HD23      LEU  11  15.786   5.629 -21.716
  Start of MODEL    4
    1    H1   LYS   1           H        LYS   1   5.191   2.437  -1.209
    2    HA   LYS   1           HA       LYS   1   3.214   0.547  -0.147
    3    HB2  LYS   1           HB2      LYS   1   2.907   3.556  -0.110
    4    HB3  LYS   1           HB3      LYS   1   1.673   2.394   0.361
    5    HG2  LYS   1           HG2      LYS   1   3.714   1.628   1.959
    6    HG3  LYS   1           HG3      LYS   1   4.021   3.362   1.833
    7    HD2  LYS   1           HD2      LYS   1   1.516   3.628   2.366
    8    HD3  LYS   1           HD3      LYS   1   1.600   1.949   2.904
    9    HE2  LYS   1           HE2      LYS   1   3.366   4.172   3.921
   10    HE3  LYS   1           HE3      LYS   1   1.910   3.600   4.732
   11    HZ1  LYS   1           HZ1      LYS   1   3.072   1.321   4.602
   12    HZ2  LYS   1           HZ2      LYS   1   4.486   2.220   4.363
   13    HZ3  LYS   1           HZ3      LYS   1   3.580   2.428   5.777
   14    H    PHE   2           H        PHE   2   4.379   0.654  -2.735
   15    HA   PHE   2           HA       PHE   2   3.792   0.558  -4.930
   16    HB2  PHE   2           HB2      PHE   2   1.612  -0.369  -3.535
   17    HB3  PHE   2           HB3      PHE   2   0.905   0.893  -4.539
   18    HD1  PHE   2           HD1      PHE   2  -0.015   0.145  -6.491
   19    HD2  PHE   2           HD2      PHE   2   3.448  -1.809  -4.972
   20    HE1  PHE   2           HE1      PHE   2  -0.050  -1.399  -8.406
   21    HE2  PHE   2           HE2      PHE   2   3.419  -3.355  -6.885
   22    HZ   PHE   2           HZ       PHE   2   1.669  -3.151  -8.606
   23    H    LYS   3           H        LYS   3   2.085   1.734  -6.564
   24    HA   LYS   3           HA       LYS   3   1.764   3.682  -7.703
   25    HB2  LYS   3           HB2      LYS   3   1.185   4.981  -5.055
   26    HB3  LYS   3           HB3      LYS   3   0.440   5.292  -6.618
   27    HG2  LYS   3           HG2      LYS   3   0.035   2.908  -4.833
   28    HG3  LYS   3           HG3      LYS   3  -1.146   4.141  -5.281
   29    HD2  LYS   3           HD2      LYS   3   0.127   2.123  -7.129
   30    HD3  LYS   3           HD3      LYS   3  -1.537   2.099  -6.539
   31    HE2  LYS   3           HE2      LYS   3  -1.274   4.619  -7.634
   32    HE3  LYS   3           HE3      LYS   3  -0.350   3.597  -8.735
   33    HZ1  LYS   3           HZ1      LYS   3  -2.884   2.472  -7.969
   34    HZ2  LYS   3           HZ2      LYS   3  -3.030   3.938  -8.800
   35    HZ3  LYS   3           HZ3      LYS   3  -2.198   2.645  -9.506
   36    H    LYS   4           H        LYS   4   4.257   3.512  -7.799
   37    HA   LYS   4           HA       LYS   4   5.378   6.026  -6.746
   38    HB2  LYS   4           HB2      LYS   4   7.577   4.919  -6.677
   39    HB3  LYS   4           HB3      LYS   4   6.411   4.133  -5.621
   40    HG2  LYS   4           HG2      LYS   4   6.388   2.940  -8.243
   41    HG3  LYS   4           HG3      LYS   4   8.013   2.934  -7.553
   42    HD2  LYS   4           HD2      LYS   4   6.888   2.034  -5.427
   43    HD3  LYS   4           HD3      LYS   4   5.500   1.700  -6.465
   44    HE2  LYS   4           HE2      LYS   4   6.581   0.046  -7.609
   45    HE3  LYS   4           HE3      LYS   4   8.170   0.776  -7.381
   46    HZ1  LYS   4           HZ1      LYS   4   7.854   0.139  -4.946
   47    HZ2  LYS   4           HZ2      LYS   4   6.617  -0.879  -5.491
   48    HZ3  LYS   4           HZ3      LYS   4   8.202  -1.104  -6.040
   49    H    VAL   5           H        VAL   5   7.274   6.809  -8.062
   50    HA   VAL   5           HA       VAL   5   6.657   6.469 -10.919
   51    HB   VAL   5           HB       VAL   5   8.115   8.774  -9.624
   52   HG11  VAL   5          HG11      VAL   5   8.481   8.221 -12.087
   53   HG12  VAL   5          HG12      VAL   5   6.804   8.711 -12.325
   54   HG13  VAL   5          HG13      VAL   5   7.980   9.866 -11.697
   55   HG21  VAL   5          HG21      VAL   5   5.230   8.606 -10.491
   56   HG22  VAL   5          HG22      VAL   5   5.803   8.648  -8.824
   57   HG23  VAL   5          HG23      VAL   5   6.048  10.042  -9.876
   58    H    ILE   6           H        ILE   6   8.106   5.512 -12.181
   59    HA   ILE   6           HA       ILE   6  10.947   5.692 -11.546
   60    HB   ILE   6           HB       ILE   6  10.191   2.981 -12.352
   61   HG12  ILE   6          HG12      ILE   6   9.349   4.059  -9.655
   62   HG13  ILE   6          HG13      ILE   6   8.307   3.350 -10.885
   63   HG21  ILE   6          HG21      ILE   6  12.431   4.070 -11.485
   64   HG22  ILE   6          HG22      ILE   6  11.759   3.637  -9.913
   65   HG23  ILE   6          HG23      ILE   6  12.029   2.390 -11.130
   66   HD11  ILE   6          HD11      ILE   6  10.430   1.917  -9.307
   67   HD12  ILE   6          HD12      ILE   6   8.685   1.786  -9.087
   68   HD13  ILE   6          HD13      ILE   6   9.434   1.197 -10.571
   69    H    TRP   7           H        TRP   7  11.574   6.694 -13.368
   70    HA   TRP   7           HA       TRP   7  10.464   6.524 -15.889
   71    HB2  TRP   7           HB2      TRP   7  12.060   8.248 -15.393
   72    HB3  TRP   7           HB3      TRP   7  13.322   7.063 -15.070
   73    HD1  TRP   7           HD1      TRP   7  15.050   7.303 -16.941
   74    HE1  TRP   7           HE1      TRP   7  14.978   7.461 -19.509
   75    HE3  TRP   7           HE3      TRP   7   9.983   7.454 -17.603
   76    HZ2  TRP   7           HZ2      TRP   7  13.031   7.627 -21.546
   77    HZ3  TRP   7           HZ3      TRP   7   9.097   7.613 -19.893
   78    HH2  TRP   7           HH2      TRP   7  10.591   7.698 -21.822
   79    H    LYS   8           H        LYS   8  12.838   4.424 -14.371
   80    HA   LYS   8           HA       LYS   8  13.736   2.996 -16.573
   81    HB2  LYS   8           HB2      LYS   8  13.209   1.965 -13.779
   82    HB3  LYS   8           HB3      LYS   8  14.201   1.161 -14.988
   83    HG2  LYS   8           HG2      LYS   8  15.967   2.321 -14.340
   84    HG3  LYS   8           HG3      LYS   8  15.130   3.834 -14.695
   85    HD2  LYS   8           HD2      LYS   8  14.251   3.967 -12.497
   86    HD3  LYS   8           HD3      LYS   8  14.720   2.304 -12.134
   87    HE2  LYS   8           HE2      LYS   8  16.685   4.503 -12.754
   88    HE3  LYS   8           HE3      LYS   8  16.184   4.072 -11.120
   89    HZ1  LYS   8           HZ1      LYS   8  17.511   2.301 -11.118
   90    HZ2  LYS   8           HZ2      LYS   8  17.037   1.812 -12.666
   91    HZ3  LYS   8           HZ3      LYS   8  18.256   2.970 -12.481
   92    H    SER   9           H        SER   9  10.749   2.680 -14.750
   93    HA   SER   9           HA       SER   9   9.948   0.306 -16.210
   94    HB2  SER   9           HB2      SER   9   9.294   1.377 -13.716
   95    HB3  SER   9           HB3      SER   9   7.832   1.581 -14.681
   96    HG   SER   9           HG       SER   9   7.669  -0.563 -14.924
   97    H    PHE  10           H        PHE  10   9.205   3.741 -16.133
   98    HA   PHE  10           HA       PHE  10   6.939   3.728 -17.776
   99    HB2  PHE  10           HB2      PHE  10   9.016   5.779 -17.104
  100    HB3  PHE  10           HB3      PHE  10   7.834   6.123 -18.362
  101    HD1  PHE  10           HD1      PHE  10   8.493   6.121 -14.872
  102    HD2  PHE  10           HD2      PHE  10   5.360   5.884 -17.743
  103    HE1  PHE  10           HE1      PHE  10   6.870   6.798 -13.151
  104    HE2  PHE  10           HE2      PHE  10   3.732   6.561 -16.027
  105    HZ   PHE  10           HZ       PHE  10   4.486   7.019 -13.728
  106    H    LEU  11           H        LEU  11  10.365   3.693 -18.543
  107    HA   LEU  11           HA       LEU  11   9.807   3.874 -21.401
  108    HB2  LEU  11           HB2      LEU  11  11.669   5.121 -21.067
  109    HB3  LEU  11           HB3      LEU  11  12.187   4.171 -19.676
  110    HG   LEU  11           HG       LEU  11  13.025   2.430 -21.191
  111   HD11  LEU  11          HD11      LEU  11  12.506   2.337 -23.348
  112   HD12  LEU  11          HD12      LEU  11  11.376   3.661 -23.064
  113   HD13  LEU  11          HD13      LEU  11  13.018   4.005 -23.608
  114   HD21  LEU  11          HD21      LEU  11  14.462   4.309 -20.415
  115   HD22  LEU  11          HD22      LEU  11  14.965   3.611 -21.954
  116   HD23  LEU  11          HD23      LEU  11  14.101   5.148 -21.924
  Start of MODEL    5
    1    H1   LYS   1           H        LYS   1   5.574   4.103  -0.935
    2    HA   LYS   1           HA       LYS   1   4.575   1.538   0.057
    3    HB2  LYS   1           HB2      LYS   1   2.557   2.795   0.990
    4    HB3  LYS   1           HB3      LYS   1   4.050   2.885   1.916
    5    HG2  LYS   1           HG2      LYS   1   3.621   5.022  -0.071
    6    HG3  LYS   1           HG3      LYS   1   2.541   5.016   1.326
    7    HD2  LYS   1           HD2      LYS   1   4.925   4.607   2.537
    8    HD3  LYS   1           HD3      LYS   1   5.427   5.589   1.158
    9    HE2  LYS   1           HE2      LYS   1   3.096   6.783   2.183
   10    HE3  LYS   1           HE3      LYS   1   4.103   6.387   3.575
   11    HZ1  LYS   1           HZ1      LYS   1   5.677   7.509   1.507
   12    HZ2  LYS   1           HZ2      LYS   1   4.383   8.539   1.865
   13    HZ3  LYS   1           HZ3      LYS   1   5.448   8.061   3.090
   14    H    PHE   2           H        PHE   2   4.445   1.011  -2.179
   15    HA   PHE   2           HA       PHE   2   3.351   0.733  -4.152
   16    HB2  PHE   2           HB2      PHE   2   1.316   1.435  -2.229
   17    HB3  PHE   2           HB3      PHE   2   0.896   2.060  -3.821
   18    HD1  PHE   2           HD1      PHE   2  -0.649   0.701  -4.827
   19    HD2  PHE   2           HD2      PHE   2   2.553  -1.074  -2.657
   20    HE1  PHE   2           HE1      PHE   2  -1.439  -1.532  -5.495
   21    HE2  PHE   2           HE2      PHE   2   1.770  -3.309  -3.322
   22    HZ   PHE   2           HZ       PHE   2  -0.228  -3.541  -4.743
   23    H    LYS   3           H        LYS   3   1.894   2.123  -5.813
   24    HA   LYS   3           HA       LYS   3   2.041   3.780  -7.371
   25    HB2  LYS   3           HB2      LYS   3   2.330   5.554  -4.941
   26    HB3  LYS   3           HB3      LYS   3   1.766   6.041  -6.534
   27    HG2  LYS   3           HG2      LYS   3  -0.317   5.407  -6.092
   28    HG3  LYS   3           HG3      LYS   3   0.210   3.848  -5.453
   29    HD2  LYS   3           HD2      LYS   3   0.992   5.454  -3.445
   30    HD3  LYS   3           HD3      LYS   3  -0.385   6.379  -4.047
   31    HE2  LYS   3           HE2      LYS   3  -0.685   3.445  -3.603
   32    HE3  LYS   3           HE3      LYS   3  -0.698   4.527  -2.211
   33    HZ1  LYS   3           HZ1      LYS   3  -2.930   4.125  -3.033
   34    HZ2  LYS   3           HZ2      LYS   3  -2.516   5.754  -3.230
   35    HZ3  LYS   3           HZ3      LYS   3  -2.504   4.711  -4.562
   36    H    LYS   4           H        LYS   4   4.489   2.493  -6.830
   37    HA   LYS   4           HA       LYS   4   6.660   4.167  -6.342
   38    HB2  LYS   4           HB2      LYS   4   6.440   1.717  -8.095
   39    HB3  LYS   4           HB3      LYS   4   7.966   2.497  -7.698
   40    HG2  LYS   4           HG2      LYS   4   6.163   1.677  -5.479
   41    HG3  LYS   4           HG3      LYS   4   7.093   0.440  -6.328
   42    HD2  LYS   4           HD2      LYS   4   8.670   2.793  -5.622
   43    HD3  LYS   4           HD3      LYS   4   7.989   1.961  -4.221
   44    HE2  LYS   4           HE2      LYS   4   9.589   0.642  -6.412
   45    HE3  LYS   4           HE3      LYS   4  10.235   1.135  -4.848
   46    HZ1  LYS   4           HZ1      LYS   4   8.336  -1.031  -5.464
   47    HZ2  LYS   4           HZ2      LYS   4   9.747  -1.082  -4.531
   48    HZ3  LYS   4           HZ3      LYS   4   8.356  -0.336  -3.922
   49    H    VAL   5           H        VAL   5   8.395   4.448  -8.227
   50    HA   VAL   5           HA       VAL   5   7.313   6.449  -9.948
   51    HB   VAL   5           HB       VAL   5  10.066   5.205  -9.953
   52   HG11  VAL   5          HG11      VAL   5  10.514   7.592 -10.979
   53   HG12  VAL   5          HG12      VAL   5  10.019   6.237 -11.995
   54   HG13  VAL   5          HG13      VAL   5   8.831   7.437 -11.485
   55   HG21  VAL   5          HG21      VAL   5  10.129   6.222  -7.936
   56   HG22  VAL   5          HG22      VAL   5  10.403   7.664  -8.914
   57   HG23  VAL   5          HG23      VAL   5   8.784   7.298  -8.316
   58    H    ILE   6           H        ILE   6   6.738   6.348 -12.041
   59    HA   ILE   6           HA       ILE   6   6.581   3.732 -13.281
   60    HB   ILE   6           HB       ILE   6   5.583   6.414 -14.247
   61   HG12  ILE   6          HG12      ILE   6   4.479   5.577 -12.193
   62   HG13  ILE   6          HG13      ILE   6   3.384   5.621 -13.570
   63   HG21  ILE   6          HG21      ILE   6   4.231   5.054 -15.829
   64   HG22  ILE   6          HG22      ILE   6   5.967   4.982 -16.133
   65   HG23  ILE   6          HG23      ILE   6   5.156   3.636 -15.333
   66   HD11  ILE   6          HD11      ILE   6   4.661   3.062 -13.413
   67   HD12  ILE   6          HD12      ILE   6   3.910   3.471 -11.870
   68   HD13  ILE   6          HD13      ILE   6   2.946   3.468 -13.347
   69    H    TRP   7           H        TRP   7   8.568   6.527 -13.436
   70    HA   TRP   7           HA       TRP   7   9.478   6.571 -16.032
   71    HB2  TRP   7           HB2      TRP   7  10.172   8.208 -14.352
   72    HB3  TRP   7           HB3      TRP   7  11.099   6.970 -13.508
   73    HD1  TRP   7           HD1      TRP   7  13.575   7.466 -13.894
   74    HE1  TRP   7           HE1      TRP   7  15.040   8.102 -15.912
   75    HE3  TRP   7           HE3      TRP   7   9.919   7.921 -17.438
   76    HZ2  TRP   7           HZ2      TRP   7  14.692   8.716 -18.645
   77    HZ3  TRP   7           HZ3      TRP   7  10.569   8.537 -19.730
   78    HH2  TRP   7           HH2      TRP   7  12.906   8.926 -20.319
   79    H    LYS   8           H        LYS   8  10.298   4.329 -13.458
   80    HA   LYS   8           HA       LYS   8  12.544   3.101 -14.488
   81    HB2  LYS   8           HB2      LYS   8  10.253   1.726 -13.072
   82    HB3  LYS   8           HB3      LYS   8  11.903   1.130 -13.199
   83    HG2  LYS   8           HG2      LYS   8  12.659   2.476 -11.563
   84    HG3  LYS   8           HG3      LYS   8  11.606   3.814 -12.028
   85    HD2  LYS   8           HD2      LYS   8  10.537   3.273 -10.112
   86    HD3  LYS   8           HD3      LYS   8   9.768   2.058 -11.137
   87    HE2  LYS   8           HE2      LYS   8  10.523   0.994  -9.124
   88    HE3  LYS   8           HE3      LYS   8  11.539   0.452 -10.459
   89    HZ1  LYS   8           HZ1      LYS   8  12.308   2.666  -8.645
   90    HZ2  LYS   8           HZ2      LYS   8  12.739   1.054  -8.364
   91    HZ3  LYS   8           HZ3      LYS   8  13.289   1.847  -9.753
   92    H    SER   9           H        SER   9   9.146   2.486 -15.263
   93    HA   SER   9           HA       SER   9   9.771   0.363 -17.101
   94    HB2  SER   9           HB2      SER   9   7.659   0.157 -16.064
   95    HB3  SER   9           HB3      SER   9   7.240   1.839 -16.391
   96    HG   SER   9           HG       SER   9   6.449   1.221 -18.226
   97    H    PHE  10           H        PHE  10   9.035   3.794 -17.305
   98    HA   PHE  10           HA       PHE  10   8.650   3.969 -20.079
   99    HB2  PHE  10           HB2      PHE  10   9.323   5.879 -17.902
  100    HB3  PHE  10           HB3      PHE  10   9.638   6.402 -19.554
  101    HD1  PHE  10           HD1      PHE  10   6.882   4.321 -18.168
  102    HD2  PHE  10           HD2      PHE  10   8.013   7.964 -20.056
  103    HE1  PHE  10           HE1      PHE  10   4.510   4.920 -18.424
  104    HE2  PHE  10           HE2      PHE  10   5.642   8.570 -20.314
  105    HZ   PHE  10           HZ       PHE  10   3.887   7.048 -19.497
  106    H    LEU  11           H        LEU  11  11.578   4.271 -18.107
  107    HA   LEU  11           HA       LEU  11  13.388   5.043 -20.046
  108    HB2  LEU  11           HB2      LEU  11  13.492   4.117 -17.406
  109    HB3  LEU  11           HB3      LEU  11  14.558   3.054 -18.322
  110    HG   LEU  11           HG       LEU  11  14.764   6.051 -18.061
  111   HD11  LEU  11          HD11      LEU  11  17.050   5.328 -17.160
  112   HD12  LEU  11          HD12      LEU  11  15.643   5.103 -16.120
  113   HD13  LEU  11          HD13      LEU  11  16.327   3.728 -16.988
  114   HD21  LEU  11          HD21      LEU  11  15.722   5.993 -20.077
  115   HD22  LEU  11          HD22      LEU  11  17.056   5.151 -19.287
  116   HD23  LEU  11          HD23      LEU  11  15.785   4.230 -20.092
  Start of MODEL    6
    1    H1   LYS   1           H        LYS   1   3.257   0.447  -3.635
    2    HA   LYS   1           HA       LYS   1   2.571   0.954  -0.957
    3    HB2  LYS   1           HB2      LYS   1   5.255   0.004  -1.359
    4    HB3  LYS   1           HB3      LYS   1   5.298   1.671  -0.799
    5    HG2  LYS   1           HG2      LYS   1   4.249   1.157   1.208
    6    HG3  LYS   1           HG3      LYS   1   3.601  -0.364   0.591
    7    HD2  LYS   1           HD2      LYS   1   5.349  -1.421   1.468
    8    HD3  LYS   1           HD3      LYS   1   6.405  -0.531   0.368
    9    HE2  LYS   1           HE2      LYS   1   6.101   1.359   2.196
   10    HE3  LYS   1           HE3      LYS   1   5.772  -0.030   3.231
   11    HZ1  LYS   1           HZ1      LYS   1   7.964  -0.879   2.041
   12    HZ2  LYS   1           HZ2      LYS   1   8.260   0.784   1.948
   13    HZ3  LYS   1           HZ3      LYS   1   8.007   0.052   3.453
   14    H    PHE   2           H        PHE   2   1.519   2.743  -1.668
   15    HA   PHE   2           HA       PHE   2   1.199   4.898  -2.318
   16    HB2  PHE   2           HB2      PHE   2   3.285   5.092  -0.748
   17    HB3  PHE   2           HB3      PHE   2   4.154   5.398  -2.249
   18    HD1  PHE   2           HD1      PHE   2   4.311   7.556  -3.033
   19    HD2  PHE   2           HD2      PHE   2   1.150   6.545  -0.369
   20    HE1  PHE   2           HE1      PHE   2   3.635   9.920  -2.944
   21    HE2  PHE   2           HE2      PHE   2   0.468   8.906  -0.276
   22    HZ   PHE   2           HZ       PHE   2   1.710  10.598  -1.565
   23    H    LYS   3           H        LYS   3   1.924   2.736  -4.254
   24    HA   LYS   3           HA       LYS   3   2.359   2.462  -6.474
   25    HB2  LYS   3           HB2      LYS   3   1.629   5.372  -6.768
   26    HB3  LYS   3           HB3      LYS   3   1.395   4.072  -7.930
   27    HG2  LYS   3           HG2      LYS   3  -0.040   4.338  -5.296
   28    HG3  LYS   3           HG3      LYS   3  -0.701   4.759  -6.878
   29    HD2  LYS   3           HD2      LYS   3  -1.337   2.652  -7.187
   30    HD3  LYS   3           HD3      LYS   3   0.331   2.106  -7.003
   31    HE2  LYS   3           HE2      LYS   3  -0.099   2.296  -4.479
   32    HE3  LYS   3           HE3      LYS   3  -1.806   2.367  -4.912
   33    HZ1  LYS   3           HZ1      LYS   3  -0.712   0.236  -6.309
   34    HZ2  LYS   3           HZ2      LYS   3  -0.123   0.111  -4.727
   35    HZ3  LYS   3           HZ3      LYS   3  -1.791   0.169  -5.007
   36    H    LYS   4           H        LYS   4   4.624   2.195  -6.164
   37    HA   LYS   4           HA       LYS   4   6.523   4.228  -6.076
   38    HB2  LYS   4           HB2      LYS   4   6.750   1.464  -7.281
   39    HB3  LYS   4           HB3      LYS   4   8.113   2.521  -6.938
   40    HG2  LYS   4           HG2      LYS   4   8.168   1.884  -4.816
   41    HG3  LYS   4           HG3      LYS   4   6.444   2.203  -4.609
   42    HD2  LYS   4           HD2      LYS   4   6.059  -0.013  -5.810
   43    HD3  LYS   4           HD3      LYS   4   7.779  -0.318  -5.560
   44    HE2  LYS   4           HE2      LYS   4   7.297   0.211  -3.090
   45    HE3  LYS   4           HE3      LYS   4   5.602  -0.013  -3.519
   46    HZ1  LYS   4           HZ1      LYS   4   5.932  -2.170  -3.211
   47    HZ2  LYS   4           HZ2      LYS   4   6.924  -2.179  -4.582
   48    HZ3  LYS   4           HZ3      LYS   4   7.604  -1.971  -3.046
   49    H    VAL   5           H        VAL   5   7.677   5.354  -7.603
   50    HA   VAL   5           HA       VAL   5   6.623   5.222 -10.353
   51    HB   VAL   5           HB       VAL   5   7.827   7.592  -8.917
   52   HG11  VAL   5          HG11      VAL   5   7.207   7.057 -11.744
   53   HG12  VAL   5          HG12      VAL   5   6.643   8.607 -11.121
   54   HG13  VAL   5          HG13      VAL   5   8.353   8.189 -11.026
   55   HG21  VAL   5          HG21      VAL   5   5.356   8.384  -9.560
   56   HG22  VAL   5          HG22      VAL   5   5.054   6.658  -9.358
   57   HG23  VAL   5          HG23      VAL   5   5.738   7.595  -8.030
   58    H    ILE   6           H        ILE   6   7.991   4.738 -11.947
   59    HA   ILE   6           HA       ILE   6  10.848   5.234 -11.628
   60    HB   ILE   6           HB       ILE   6  10.333   2.590 -12.774
   61   HG12  ILE   6          HG12      ILE   6   9.742   3.126  -9.857
   62   HG13  ILE   6          HG13      ILE   6   8.639   2.462 -11.057
   63   HG21  ILE   6          HG21      ILE   6  12.358   2.059 -11.793
   64   HG22  ILE   6          HG22      ILE   6  12.531   3.790 -12.089
   65   HG23  ILE   6          HG23      ILE   6  12.137   3.206 -10.472
   66   HD11  ILE   6          HD11      ILE   6   9.453   0.722  -9.598
   67   HD12  ILE   6          HD12      ILE   6  10.059   0.473 -11.235
   68   HD13  ILE   6          HD13      ILE   6  11.121   1.137  -9.993
   69    H    TRP   7           H        TRP   7  11.086   6.573 -13.321
   70    HA   TRP   7           HA       TRP   7   9.657   6.462 -15.730
   71    HB2  TRP   7           HB2      TRP   7  10.778   8.494 -15.071
   72    HB3  TRP   7           HB3      TRP   7  12.345   7.690 -15.094
   73    HD1  TRP   7           HD1      TRP   7  13.653   8.662 -17.065
   74    HE1  TRP   7           HE1      TRP   7  13.160   9.158 -19.542
   75    HE3  TRP   7           HE3      TRP   7   8.681   7.476 -17.155
   76    HZ2  TRP   7           HZ2      TRP   7  10.954   9.059 -21.301
   77    HZ3  TRP   7           HZ3      TRP   7   7.452   7.705 -19.275
   78    HH2  TRP   7           HH2      TRP   7   8.567   8.480 -21.304
   79    H    LYS   8           H        LYS   8  12.791   5.104 -14.817
   80    HA   LYS   8           HA       LYS   8  13.684   4.230 -17.285
   81    HB2  LYS   8           HB2      LYS   8  15.033   2.615 -16.089
   82    HB3  LYS   8           HB3      LYS   8  14.992   4.122 -15.184
   83    HG2  LYS   8           HG2      LYS   8  13.013   2.971 -13.926
   84    HG3  LYS   8           HG3      LYS   8  13.749   1.492 -14.546
   85    HD2  LYS   8           HD2      LYS   8  15.403   3.555 -13.135
   86    HD3  LYS   8           HD3      LYS   8  14.470   2.366 -12.223
   87    HE2  LYS   8           HE2      LYS   8  16.049   0.843 -12.560
   88    HE3  LYS   8           HE3      LYS   8  15.872   1.020 -14.305
   89    HZ1  LYS   8           HZ1      LYS   8  18.005   1.677 -14.137
   90    HZ2  LYS   8           HZ2      LYS   8  17.317   3.173 -13.749
   91    HZ3  LYS   8           HZ3      LYS   8  17.867   2.150 -12.519
   92    H    SER   9           H        SER   9  11.293   2.803 -15.144
   93    HA   SER   9           HA       SER   9  11.054   0.378 -16.671
   94    HB2  SER   9           HB2      SER   9  10.459   0.934 -14.122
   95    HB3  SER   9           HB3      SER   9   8.872   1.230 -14.833
   96    HG   SER   9           HG       SER   9   8.717  -0.846 -15.403
   97    H    PHE  10           H        PHE  10   9.361   3.451 -16.471
   98    HA   PHE  10           HA       PHE  10   7.130   2.724 -18.051
   99    HB2  PHE  10           HB2      PHE  10   8.335   5.278 -17.108
  100    HB3  PHE  10           HB3      PHE  10   7.203   5.360 -18.454
  101    HD1  PHE  10           HD1      PHE  10   7.366   3.457 -15.244
  102    HD2  PHE  10           HD2      PHE  10   5.105   5.996 -17.805
  103    HE1  PHE  10           HE1      PHE  10   5.485   3.376 -13.659
  104    HE2  PHE  10           HE2      PHE  10   3.222   5.920 -16.224
  105    HZ   PHE  10           HZ       PHE  10   3.410   4.610 -14.148
  106    H    LEU  11           H        LEU  11  10.294   4.068 -18.822
  107    HA   LEU  11           HA       LEU  11   9.924   4.807 -21.456
  108    HB2  LEU  11           HB2      LEU  11  12.057   4.613 -19.756
  109    HB3  LEU  11           HB3      LEU  11  12.442   3.395 -20.970
  110    HG   LEU  11           HG       LEU  11  11.850   6.289 -21.581
  111   HD11  LEU  11          HD11      LEU  11  14.253   4.995 -20.617
  112   HD12  LEU  11          HD12      LEU  11  14.496   5.752 -22.191
  113   HD13  LEU  11          HD13      LEU  11  13.901   6.709 -20.835
  114   HD21  LEU  11          HD21      LEU  11  12.303   5.828 -23.782
  115   HD22  LEU  11          HD22      LEU  11  13.267   4.401 -23.400
  116   HD23  LEU  11          HD23      LEU  11  11.509   4.331 -23.293
  Start of MODEL    7
    1    H1   LYS   1           H        LYS   1  -0.311  -1.459  -1.195
    2    HA   LYS   1           HA       LYS   1   1.185  -0.962  -2.869
    3    HB2  LYS   1           HB2      LYS   1   0.294   0.683  -4.455
    4    HB3  LYS   1           HB3      LYS   1  -0.975  -0.376  -3.852
    5    HG2  LYS   1           HG2      LYS   1  -2.133   1.473  -3.445
    6    HG3  LYS   1           HG3      LYS   1  -1.032   1.741  -2.092
    7    HD2  LYS   1           HD2      LYS   1  -0.577   3.692  -3.099
    8    HD3  LYS   1           HD3      LYS   1   0.404   2.723  -4.202
    9    HE2  LYS   1           HE2      LYS   1  -1.287   2.671  -5.830
   10    HE3  LYS   1           HE3      LYS   1  -2.521   3.199  -4.687
   11    HZ1  LYS   1           HZ1      LYS   1  -2.021   5.333  -5.028
   12    HZ2  LYS   1           HZ2      LYS   1  -0.351   5.065  -4.998
   13    HZ3  LYS   1           HZ3      LYS   1  -1.224   4.806  -6.424
   14    H    PHE   2           H        PHE   2   2.553   0.789  -3.923
   15    HA   PHE   2           HA       PHE   2   3.351   2.817  -1.946
   16    HB2  PHE   2           HB2      PHE   2   4.897   0.586  -2.953
   17    HB3  PHE   2           HB3      PHE   2   5.677   2.116  -3.340
   18    HD1  PHE   2           HD1      PHE   2   6.592   3.514  -1.624
   19    HD2  PHE   2           HD2      PHE   2   4.541  -0.082  -0.635
   20    HE1  PHE   2           HE1      PHE   2   7.473   3.646   0.670
   21    HE2  PHE   2           HE2      PHE   2   5.418   0.045   1.660
   22    HZ   PHE   2           HZ       PHE   2   6.885   1.911   2.315
   23    H    LYS   3           H        LYS   3   4.703   4.563  -2.911
   24    HA   LYS   3           HA       LYS   3   3.710   5.203  -5.605
   25    HB2  LYS   3           HB2      LYS   3   4.274   7.580  -4.945
   26    HB3  LYS   3           HB3      LYS   3   2.951   6.835  -4.057
   27    HG2  LYS   3           HG2      LYS   3   5.485   6.393  -2.741
   28    HG3  LYS   3           HG3      LYS   3   5.168   8.112  -2.990
   29    HD2  LYS   3           HD2      LYS   3   2.938   7.806  -1.957
   30    HD3  LYS   3           HD3      LYS   3   3.350   6.121  -1.632
   31    HE2  LYS   3           HE2      LYS   3   3.971   7.003   0.364
   32    HE3  LYS   3           HE3      LYS   3   5.473   7.283  -0.515
   33    HZ1  LYS   3           HZ1      LYS   3   4.274   9.191   0.814
   34    HZ2  LYS   3           HZ2      LYS   3   5.104   9.507  -0.626
   35    HZ3  LYS   3           HZ3      LYS   3   3.418   9.359  -0.636
   36    H    LYS   4           H        LYS   4   5.579   3.694  -6.201
   37    HA   LYS   4           HA       LYS   4   8.089   5.230  -6.352
   38    HB2  LYS   4           HB2      LYS   4   9.102   2.935  -6.864
   39    HB3  LYS   4           HB3      LYS   4   8.585   3.237  -5.210
   40    HG2  LYS   4           HG2      LYS   4   6.502   2.016  -5.654
   41    HG3  LYS   4           HG3      LYS   4   7.064   1.682  -7.293
   42    HD2  LYS   4           HD2      LYS   4   9.158   0.716  -6.040
   43    HD3  LYS   4           HD3      LYS   4   8.029   0.588  -4.689
   44    HE2  LYS   4           HE2      LYS   4   7.010  -1.178  -5.593
   45    HE3  LYS   4           HE3      LYS   4   6.881  -0.391  -7.166
   46    HZ1  LYS   4           HZ1      LYS   4   9.520  -1.355  -6.386
   47    HZ2  LYS   4           HZ2      LYS   4   8.364  -2.531  -6.765
   48    HZ3  LYS   4           HZ3      LYS   4   8.774  -1.350  -7.905
   49    H    VAL   5           H        VAL   5   6.417   6.116  -8.146
   50    HA   VAL   5           HA       VAL   5   6.390   4.610 -10.588
   51    HB   VAL   5           HB       VAL   5   5.780   7.538 -10.159
   52   HG11  VAL   5          HG11      VAL   5   5.873   5.855 -12.515
   53   HG12  VAL   5          HG12      VAL   5   4.278   6.568 -12.278
   54   HG13  VAL   5          HG13      VAL   5   5.700   7.605 -12.385
   55   HG21  VAL   5          HG21      VAL   5   4.315   6.237  -8.782
   56   HG22  VAL   5          HG22      VAL   5   3.405   6.767 -10.197
   57   HG23  VAL   5          HG23      VAL   5   3.996   5.108 -10.099
   58    H    ILE   6           H        ILE   6   7.835   4.611 -12.193
   59    HA   ILE   6           HA       ILE   6   9.750   6.798 -12.438
   60    HB   ILE   6           HB       ILE   6  11.044   4.189 -12.742
   61   HG12  ILE   6          HG12      ILE   6  10.091   5.109 -10.024
   62   HG13  ILE   6          HG13      ILE   6   9.701   3.591 -10.825
   63   HG21  ILE   6          HG21      ILE   6  12.127   6.188 -10.889
   64   HG22  ILE   6          HG22      ILE   6  12.884   5.383 -12.264
   65   HG23  ILE   6          HG23      ILE   6  11.837   6.777 -12.526
   66   HD11  ILE   6          HD11      ILE   6  11.335   3.238  -9.086
   67   HD12  ILE   6          HD12      ILE   6  12.054   2.925 -10.666
   68   HD13  ILE   6          HD13      ILE   6  12.408   4.431  -9.818
   69    H    TRP   7           H        TRP   7   9.204   7.420 -14.445
   70    HA   TRP   7           HA       TRP   7   8.234   5.822 -16.503
   71    HB2  TRP   7           HB2      TRP   7   8.005   8.207 -16.638
   72    HB3  TRP   7           HB3      TRP   7   9.751   8.433 -16.598
   73    HD1  TRP   7           HD1      TRP   7  10.415   9.326 -18.903
   74    HE1  TRP   7           HE1      TRP   7   9.926   8.669 -21.344
   75    HE3  TRP   7           HE3      TRP   7   7.024   5.590 -18.076
   76    HZ2  TRP   7           HZ2      TRP   7   8.316   6.814 -22.734
   77    HZ3  TRP   7           HZ3      TRP   7   6.056   4.425 -20.016
   78    HH2  TRP   7           HH2      TRP   7   6.690   5.026 -22.296
   79    H    LYS   8           H        LYS   8  11.541   6.577 -15.584
   80    HA   LYS   8           HA       LYS   8  12.917   5.704 -17.823
   81    HB2  LYS   8           HB2      LYS   8  13.737   5.339 -14.936
   82    HB3  LYS   8           HB3      LYS   8  14.812   5.300 -16.327
   83    HG2  LYS   8           HG2      LYS   8  15.034   7.504 -16.304
   84    HG3  LYS   8           HG3      LYS   8  13.284   7.739 -16.295
   85    HD2  LYS   8           HD2      LYS   8  13.710   8.648 -14.267
   86    HD3  LYS   8           HD3      LYS   8  13.654   6.962 -13.748
   87    HE2  LYS   8           HE2      LYS   8  16.263   7.914 -14.734
   88    HE3  LYS   8           HE3      LYS   8  15.705   8.643 -13.229
   89    HZ1  LYS   8           HZ1      LYS   8  16.999   6.283 -13.426
   90    HZ2  LYS   8           HZ2      LYS   8  16.048   6.759 -12.110
   91    HZ3  LYS   8           HZ3      LYS   8  15.385   5.784 -13.324
   92    H    SER   9           H        SER   9  11.466   3.842 -15.222
   93    HA   SER   9           HA       SER   9  12.565   1.346 -16.203
   94    HB2  SER   9           HB2      SER   9  12.393   1.291 -13.884
   95    HB3  SER   9           HB3      SER   9  10.847   2.140 -13.877
   96    HG   SER   9           HG       SER   9   9.946   0.256 -13.825
   97    H    PHE  10           H        PHE  10   9.504   3.073 -16.224
   98    HA   PHE  10           HA       PHE  10   7.851   1.021 -17.165
   99    HB2  PHE  10           HB2      PHE  10   7.742   3.987 -17.124
  100    HB3  PHE  10           HB3      PHE  10   6.676   3.176 -18.266
  101    HD1  PHE  10           HD1      PHE  10   7.745   2.669 -14.722
  102    HD2  PHE  10           HD2      PHE  10   4.541   2.866 -17.517
  103    HE1  PHE  10           HE1      PHE  10   6.140   2.235 -12.908
  104    HE2  PHE  10           HE2      PHE  10   2.931   2.433 -15.708
  105    HZ   PHE  10           HZ       PHE  10   3.730   2.118 -13.399
  106    H    LEU  11           H        LEU  11  10.014   3.215 -18.852
  107    HA   LEU  11           HA       LEU  11   9.195   2.128 -21.439
  108    HB2  LEU  11           HB2      LEU  11   9.422   4.357 -21.779
  109    HB3  LEU  11           HB3      LEU  11  10.634   4.537 -20.513
  110    HG   LEU  11           HG       LEU  11  12.338   3.630 -22.028
  111   HD11  LEU  11          HD11      LEU  11  11.810   2.511 -23.866
  112   HD12  LEU  11          HD12      LEU  11  10.102   2.736 -23.486
  113   HD13  LEU  11          HD13      LEU  11  10.940   3.906 -24.504
  114   HD21  LEU  11          HD21      LEU  11  12.175   5.546 -23.748
  115   HD22  LEU  11          HD22      LEU  11  10.739   6.027 -22.846
  116   HD23  LEU  11          HD23      LEU  11  12.304   5.953 -22.037
  Start of MODEL    8
    1    H1   LYS   1           H        LYS   1   1.917  -2.252  -1.770
    2    HA   LYS   1           HA       LYS   1   1.065  -0.297  -2.570
    3    HB2  LYS   1           HB2      LYS   1   1.038   0.338   0.385
    4    HB3  LYS   1           HB3      LYS   1   0.217   1.293  -0.842
    5    HG2  LYS   1           HG2      LYS   1  -0.337  -1.610  -0.270
    6    HG3  LYS   1           HG3      LYS   1  -1.282  -0.255   0.351
    7    HD2  LYS   1           HD2      LYS   1  -0.943  -0.053  -2.507
    8    HD3  LYS   1           HD3      LYS   1  -1.650  -1.609  -2.065
    9    HE2  LYS   1           HE2      LYS   1  -3.552  -0.662  -1.233
   10    HE3  LYS   1           HE3      LYS   1  -2.734   0.824  -0.754
   11    HZ1  LYS   1           HZ1      LYS   1  -4.100   0.205  -3.192
   12    HZ2  LYS   1           HZ2      LYS   1  -3.658   1.709  -2.556
   13    HZ3  LYS   1           HZ3      LYS   1  -2.547   0.818  -3.470
   14    H    PHE   2           H        PHE   2   2.619   0.659  -3.775
   15    HA   PHE   2           HA       PHE   2   4.102   2.834  -2.519
   16    HB2  PHE   2           HB2      PHE   2   5.315   0.412  -3.736
   17    HB3  PHE   2           HB3      PHE   2   6.062   1.956  -4.137
   18    HD1  PHE   2           HD1      PHE   2   6.367   3.534  -1.979
   19    HD2  PHE   2           HD2      PHE   2   6.189  -0.718  -1.953
   20    HE1  PHE   2           HE1      PHE   2   7.586   3.499   0.158
   21    HE2  PHE   2           HE2      PHE   2   7.406  -0.760   0.184
   22    HZ   PHE   2           HZ       PHE   2   8.106   1.351   1.243
   23    H    LYS   3           H        LYS   3   4.526   4.550  -3.873
   24    HA   LYS   3           HA       LYS   3   3.598   4.301  -6.655
   25    HB2  LYS   3           HB2      LYS   3   2.677   6.619  -6.444
   26    HB3  LYS   3           HB3      LYS   3   1.831   5.416  -5.480
   27    HG2  LYS   3           HG2      LYS   3   4.027   6.883  -4.152
   28    HG3  LYS   3           HG3      LYS   3   2.560   7.792  -4.525
   29    HD2  LYS   3           HD2      LYS   3   1.282   6.592  -3.064
   30    HD3  LYS   3           HD3      LYS   3   2.243   5.124  -3.260
   31    HE2  LYS   3           HE2      LYS   3   4.005   6.051  -1.892
   32    HE3  LYS   3           HE3      LYS   3   3.154   7.591  -1.782
   33    HZ1  LYS   3           HZ1      LYS   3   1.898   6.835  -0.129
   34    HZ2  LYS   3           HZ2      LYS   3   1.540   5.388  -0.931
   35    HZ3  LYS   3           HZ3      LYS   3   2.960   5.522  -0.020
   36    H    LYS   4           H        LYS   4   6.048   3.977  -6.734
   37    HA   LYS   4           HA       LYS   4   7.617   6.400  -6.490
   38    HB2  LYS   4           HB2      LYS   4   8.410   3.699  -7.593
   39    HB3  LYS   4           HB3      LYS   4   9.502   5.012  -7.174
   40    HG2  LYS   4           HG2      LYS   4   7.692   3.698  -5.168
   41    HG3  LYS   4           HG3      LYS   4   9.328   3.129  -5.510
   42    HD2  LYS   4           HD2      LYS   4   9.617   5.864  -5.127
   43    HD3  LYS   4           HD3      LYS   4   8.441   5.376  -3.904
   44    HE2  LYS   4           HE2      LYS   4  10.611   5.179  -2.937
   45    HE3  LYS   4           HE3      LYS   4  10.016   3.548  -3.243
   46    HZ1  LYS   4           HZ1      LYS   4  11.829   3.167  -4.427
   47    HZ2  LYS   4           HZ2      LYS   4  11.396   4.388  -5.515
   48    HZ3  LYS   4           HZ3      LYS   4  12.372   4.750  -4.182
   49    H    VAL   5           H        VAL   5   9.301   6.487  -8.530
   50    HA   VAL   5           HA       VAL   5   7.803   7.652 -10.618
   51    HB   VAL   5           HB       VAL   5  10.688   6.777 -10.760
   52   HG11  VAL   5          HG11      VAL   5  10.168   9.229 -12.083
   53   HG12  VAL   5          HG12      VAL   5  10.668   7.689 -12.783
   54   HG13  VAL   5          HG13      VAL   5   8.953   8.063 -12.607
   55   HG21  VAL   5          HG21      VAL   5   9.386   8.906  -9.217
   56   HG22  VAL   5          HG22      VAL   5  10.961   8.144  -8.996
   57   HG23  VAL   5          HG23      VAL   5  10.763   9.432 -10.185
   58    H    ILE   6           H        ILE   6   6.728   6.680 -12.193
   59    HA   ILE   6           HA       ILE   6   7.206   3.889 -12.801
   60    HB   ILE   6           HB       ILE   6   5.192   5.825 -13.950
   61   HG12  ILE   6          HG12      ILE   6   4.890   3.617 -11.902
   62   HG13  ILE   6          HG13      ILE   6   4.856   5.343 -11.561
   63   HG21  ILE   6          HG21      ILE   6   5.642   4.084 -15.547
   64   HG22  ILE   6          HG22      ILE   6   5.484   2.846 -14.301
   65   HG23  ILE   6          HG23      ILE   6   4.074   3.781 -14.799
   66   HD11  ILE   6          HD11      ILE   6   2.867   3.797 -13.204
   67   HD12  ILE   6          HD12      ILE   6   2.619   4.472 -11.594
   68   HD13  ILE   6          HD13      ILE   6   2.849   5.545 -12.974
   69    H    TRP   7           H        TRP   7   8.056   6.962 -14.083
   70    HA   TRP   7           HA       TRP   7   8.340   6.506 -16.784
   71    HB2  TRP   7           HB2      TRP   7   8.772   8.693 -15.982
   72    HB3  TRP   7           HB3      TRP   7  10.012   8.124 -14.867
   73    HD1  TRP   7           HD1      TRP   7  12.175   9.230 -15.705
   74    HE1  TRP   7           HE1      TRP   7  13.415   9.353 -17.957
   75    HE3  TRP   7           HE3      TRP   7   8.677   6.986 -18.683
   76    HZ2  TRP   7           HZ2      TRP   7  12.970   8.600 -20.641
   77    HZ3  TRP   7           HZ3      TRP   7   9.162   6.726 -21.081
   78    HH2  TRP   7           HH2      TRP   7  11.264   7.518 -22.038
   79    H    LYS   8           H        LYS   8  10.366   5.400 -14.145
   80    HA   LYS   8           HA       LYS   8  12.462   4.421 -15.846
   81    HB2  LYS   8           HB2      LYS   8  13.422   3.497 -13.830
   82    HB3  LYS   8           HB3      LYS   8  12.852   5.128 -13.499
   83    HG2  LYS   8           HG2      LYS   8  10.673   3.684 -12.805
   84    HG3  LYS   8           HG3      LYS   8  11.968   2.555 -12.399
   85    HD2  LYS   8           HD2      LYS   8  11.973   5.431 -11.510
   86    HD3  LYS   8           HD3      LYS   8  11.240   4.138 -10.559
   87    HE2  LYS   8           HE2      LYS   8  14.106   4.125 -11.491
   88    HE3  LYS   8           HE3      LYS   8  13.590   4.722  -9.914
   89    HZ1  LYS   8           HZ1      LYS   8  13.998   2.605  -9.320
   90    HZ2  LYS   8           HZ2      LYS   8  12.444   2.325  -9.929
   91    HZ3  LYS   8           HZ3      LYS   8  13.800   1.993 -10.885
   92    H    SER   9           H        SER   9   9.576   3.105 -14.358
   93    HA   SER   9           HA       SER   9  10.028   0.391 -14.557
   94    HB2  SER   9           HB2      SER   9   7.816   2.046 -14.052
   95    HB3  SER   9           HB3      SER   9   7.325   1.002 -15.386
   96    HG   SER   9           HG       SER   9   7.114  -0.523 -13.974
   97    H    PHE  10           H        PHE  10   9.118   2.673 -17.072
   98    HA   PHE  10           HA       PHE  10   9.146   0.498 -19.047
   99    HB2  PHE  10           HB2      PHE  10   8.022   3.299 -19.167
  100    HB3  PHE  10           HB3      PHE  10   8.119   2.236 -20.567
  101    HD1  PHE  10           HD1      PHE  10   6.754   2.389 -17.111
  102    HD2  PHE  10           HD2      PHE  10   6.377   0.790 -21.037
  103    HE1  PHE  10           HE1      PHE  10   4.594   1.387 -16.491
  104    HE2  PHE  10           HE2      PHE  10   4.216  -0.213 -20.424
  105    HZ   PHE  10           HZ       PHE  10   3.321   0.085 -18.149
  106    H    LEU  11           H        LEU  11  10.446   3.736 -18.422
  107    HA   LEU  11           HA       LEU  11  12.220   4.868 -19.300
  108    HB2  LEU  11           HB2      LEU  11  13.092   2.499 -18.264
  109    HB3  LEU  11           HB3      LEU  11  13.760   2.447 -19.894
  110    HG   LEU  11           HG       LEU  11  14.224   4.680 -17.919
  111   HD11  LEU  11          HD11      LEU  11  15.382   2.919 -16.971
  112   HD12  LEU  11          HD12      LEU  11  15.747   2.182 -18.531
  113   HD13  LEU  11          HD13      LEU  11  16.595   3.643 -18.026
  114   HD21  LEU  11          HD21      LEU  11  15.732   5.577 -19.459
  115   HD22  LEU  11          HD22      LEU  11  15.782   4.096 -20.415
  116   HD23  LEU  11          HD23      LEU  11  14.343   5.115 -20.443
  Start of MODEL    9
    1    H1   LYS   1           H        LYS   1   1.416   3.199   1.843
    2    HA   LYS   1           HA       LYS   1   1.427   3.668  -0.622
    3    HB2  LYS   1           HB2      LYS   1   2.831   4.942   1.214
    4    HB3  LYS   1           HB3      LYS   1   4.192   4.198   0.384
    5    HG2  LYS   1           HG2      LYS   1   4.112   6.091  -0.827
    6    HG3  LYS   1           HG3      LYS   1   2.880   5.202  -1.727
    7    HD2  LYS   1           HD2      LYS   1   1.201   6.506  -0.965
    8    HD3  LYS   1           HD3      LYS   1   1.913   6.662   0.642
    9    HE2  LYS   1           HE2      LYS   1   3.683   8.121  -0.643
   10    HE3  LYS   1           HE3      LYS   1   2.375   8.288  -1.814
   11    HZ1  LYS   1           HZ1      LYS   1   0.978   9.237  -0.164
   12    HZ2  LYS   1           HZ2      LYS   1   2.076   8.890   1.075
   13    HZ3  LYS   1           HZ3      LYS   1   2.456  10.057  -0.090
   14    H    PHE   2           H        PHE   2   1.550   2.251  -2.249
   15    HA   PHE   2           HA       PHE   2   4.152   0.989  -2.762
   16    HB2  PHE   2           HB2      PHE   2   1.459  -0.373  -2.973
   17    HB3  PHE   2           HB3      PHE   2   2.980  -1.060  -3.533
   18    HD1  PHE   2           HD1      PHE   2   4.644  -1.851  -1.960
   19    HD2  PHE   2           HD2      PHE   2   0.941  -0.232  -0.624
   20    HE1  PHE   2           HE1      PHE   2   5.041  -2.797   0.276
   21    HE2  PHE   2           HE2      PHE   2   1.333  -1.174   1.614
   22    HZ   PHE   2           HZ       PHE   2   3.385  -2.458   2.067
   23    H    LYS   3           H        LYS   3   2.662   3.356  -3.825
   24    HA   LYS   3           HA       LYS   3   2.387   2.517  -6.633
   25    HB2  LYS   3           HB2      LYS   3   1.059   4.527  -6.977
   26    HB3  LYS   3           HB3      LYS   3   0.390   3.579  -5.655
   27    HG2  LYS   3           HG2      LYS   3   2.041   5.238  -4.299
   28    HG3  LYS   3           HG3      LYS   3   1.562   6.269  -5.650
   29    HD2  LYS   3           HD2      LYS   3  -0.075   6.697  -4.056
   30    HD3  LYS   3           HD3      LYS   3  -0.838   5.489  -5.093
   31    HE2  LYS   3           HE2      LYS   3   0.496   3.980  -3.203
   32    HE3  LYS   3           HE3      LYS   3  -0.117   5.351  -2.278
   33    HZ1  LYS   3           HZ1      LYS   3  -2.308   4.836  -3.498
   34    HZ2  LYS   3           HZ2      LYS   3  -1.622   3.317  -3.787
   35    HZ3  LYS   3           HZ3      LYS   3  -1.851   3.853  -2.199
   36    H    LYS   4           H        LYS   4   4.952   2.802  -5.615
   37    HA   LYS   4           HA       LYS   4   6.164   5.279  -5.822
   38    HB2  LYS   4           HB2      LYS   4   8.236   4.042  -6.366
   39    HB3  LYS   4           HB3      LYS   4   7.364   3.335  -5.013
   40    HG2  LYS   4           HG2      LYS   4   6.335   1.933  -7.100
   41    HG3  LYS   4           HG3      LYS   4   7.989   2.219  -7.646
   42    HD2  LYS   4           HD2      LYS   4   7.194   1.008  -4.998
   43    HD3  LYS   4           HD3      LYS   4   7.791   0.115  -6.399
   44    HE2  LYS   4           HE2      LYS   4   9.854   0.426  -5.632
   45    HE3  LYS   4           HE3      LYS   4   9.658   2.148  -5.953
   46    HZ1  LYS   4           HZ1      LYS   4   9.303   2.609  -3.782
   47    HZ2  LYS   4           HZ2      LYS   4   8.542   1.133  -3.458
   48    HZ3  LYS   4           HZ3      LYS   4  10.229   1.210  -3.561
   49    H    VAL   5           H        VAL   5   7.634   6.042  -7.577
   50    HA   VAL   5           HA       VAL   5   6.334   5.681 -10.196
   51    HB   VAL   5           HB       VAL   5   7.897   8.057  -9.174
   52   HG11  VAL   5          HG11      VAL   5   8.228   7.820 -11.543
   53   HG12  VAL   5          HG12      VAL   5   6.500   7.582 -11.803
   54   HG13  VAL   5          HG13      VAL   5   7.102   9.148 -11.259
   55   HG21  VAL   5          HG21      VAL   5   5.687   7.823  -8.136
   56   HG22  VAL   5          HG22      VAL   5   5.759   9.226  -9.202
   57   HG23  VAL   5          HG23      VAL   5   4.947   7.754  -9.735
   58    H    ILE   6           H        ILE   6   7.521   5.110 -11.940
   59    HA   ILE   6           HA       ILE   6  10.434   5.162 -11.792
   60    HB   ILE   6           HB       ILE   6   9.454   2.631 -12.889
   61   HG12  ILE   6          HG12      ILE   6   9.124   3.243  -9.947
   62   HG13  ILE   6          HG13      ILE   6   7.863   2.759 -11.076
   63   HG21  ILE   6          HG21      ILE   6  11.847   3.532 -12.275
   64   HG22  ILE   6          HG22      ILE   6  11.443   2.876 -10.688
   65   HG23  ILE   6          HG23      ILE   6  11.447   1.823 -12.103
   66   HD11  ILE   6          HD11      ILE   6   8.486   0.912  -9.655
   67   HD12  ILE   6          HD12      ILE   6   8.948   0.576 -11.324
   68   HD13  ILE   6          HD13      ILE   6  10.171   1.066 -10.152
   69    H    TRP   7           H        TRP   7  10.773   6.453 -13.505
   70    HA   TRP   7           HA       TRP   7   9.194   6.354 -15.883
   71    HB2  TRP   7           HB2      TRP   7  10.369   8.401 -15.025
   72    HB3  TRP   7           HB3      TRP   7  11.893   7.664 -15.510
   73    HD1  TRP   7           HD1      TRP   7   8.969   9.603 -16.867
   74    HE1  TRP   7           HE1      TRP   7   9.327  10.059 -19.375
   75    HE3  TRP   7           HE3      TRP   7  12.978   6.537 -17.686
   76    HZ2  TRP   7           HZ2      TRP   7  11.077   9.229 -21.428
   77    HZ3  TRP   7           HZ3      TRP   7  13.933   6.425 -19.951
   78    HH2  TRP   7           HH2      TRP   7  13.001   7.744 -21.782
   79    H    LYS   8           H        LYS   8  12.378   5.143 -14.953
   80    HA   LYS   8           HA       LYS   8  13.354   4.330 -17.405
   81    HB2  LYS   8           HB2      LYS   8  13.639   2.805 -14.811
   82    HB3  LYS   8           HB3      LYS   8  14.719   2.729 -16.197
   83    HG2  LYS   8           HG2      LYS   8  15.921   4.378 -15.351
   84    HG3  LYS   8           HG3      LYS   8  14.515   5.443 -15.415
   85    HD2  LYS   8           HD2      LYS   8  15.102   5.494 -13.168
   86    HD3  LYS   8           HD3      LYS   8  13.825   4.276 -13.212
   87    HE2  LYS   8           HE2      LYS   8  16.567   3.282 -13.638
   88    HE3  LYS   8           HE3      LYS   8  16.224   3.912 -12.028
   89    HZ1  LYS   8           HZ1      LYS   8  14.161   2.424 -12.164
   90    HZ2  LYS   8           HZ2      LYS   8  14.968   1.637 -13.425
   91    HZ3  LYS   8           HZ3      LYS   8  15.657   1.686 -11.880
   92    H    SER   9           H        SER   9  10.961   2.786 -15.349
   93    HA   SER   9           HA       SER   9  10.837   0.271 -16.510
   94    HB2  SER   9           HB2      SER   9   9.445   0.286 -14.713
   95    HB3  SER   9           HB3      SER   9   8.993   1.974 -14.950
   96    HG   SER   9           HG       SER   9   7.221   1.227 -15.774
   97    H    PHE  10           H        PHE  10   9.456   3.317 -17.589
   98    HA   PHE  10           HA       PHE  10   8.033   2.063 -19.778
   99    HB2  PHE  10           HB2      PHE  10   8.420   4.968 -19.031
  100    HB3  PHE  10           HB3      PHE  10   7.434   4.413 -20.379
  101    HD1  PHE  10           HD1      PHE  10   7.778   4.315 -16.701
  102    HD2  PHE  10           HD2      PHE  10   5.230   3.671 -20.049
  103    HE1  PHE  10           HE1      PHE  10   5.855   4.072 -15.186
  104    HE2  PHE  10           HE2      PHE  10   3.302   3.428 -18.539
  105    HZ   PHE  10           HZ       PHE  10   3.613   3.629 -16.105
  106    H    LEU  11           H        LEU  11  10.931   4.003 -19.285
  107    HA   LEU  11           HA       LEU  11  12.636   4.608 -20.673
  108    HB2  LEU  11           HB2      LEU  11  12.355   1.893 -20.733
  109    HB3  LEU  11           HB3      LEU  11  12.316   2.298 -22.447
  110    HG   LEU  11           HG       LEU  11  14.531   3.073 -20.551
  111   HD11  LEU  11          HD11      LEU  11  13.972   0.547 -21.551
  112   HD12  LEU  11          HD12      LEU  11  15.205   1.189 -22.637
  113   HD13  LEU  11          HD13      LEU  11  15.512   1.111 -20.902
  114   HD21  LEU  11          HD21      LEU  11  14.598   3.077 -23.551
  115   HD22  LEU  11          HD22      LEU  11  14.050   4.480 -22.634
  116   HD23  LEU  11          HD23      LEU  11  15.691   3.871 -22.418
  Start of MODEL   10
    1    H1   LYS   1           H        LYS   1   3.718   3.517   2.671
    2    HA   LYS   1           HA       LYS   1   3.670   4.999   0.233
    3    HB2  LYS   1           HB2      LYS   1   5.692   3.162   1.502
    4    HB3  LYS   1           HB3      LYS   1   5.957   3.885  -0.078
    5    HG2  LYS   1           HG2      LYS   1   5.159   5.908   1.784
    6    HG3  LYS   1           HG3      LYS   1   6.515   4.986   2.439
    7    HD2  LYS   1           HD2      LYS   1   7.952   5.709   0.836
    8    HD3  LYS   1           HD3      LYS   1   6.700   5.781  -0.406
    9    HE2  LYS   1           HE2      LYS   1   6.668   7.720   1.870
   10    HE3  LYS   1           HE3      LYS   1   7.757   7.980   0.508
   11    HZ1  LYS   1           HZ1      LYS   1   6.072   8.815  -0.631
   12    HZ2  LYS   1           HZ2      LYS   1   5.221   7.359  -0.500
   13    HZ3  LYS   1           HZ3      LYS   1   5.026   8.562   0.674
   14    H    PHE   2           H        PHE   2   2.198   4.171  -1.200
   15    HA   PHE   2           HA       PHE   2   2.823   1.500  -2.266
   16    HB2  PHE   2           HB2      PHE   2   0.313   2.477  -1.168
   17    HB3  PHE   2           HB3      PHE   2   0.127   1.904  -2.822
   18    HD1  PHE   2           HD1      PHE   2  -0.269  -0.331  -3.181
   19    HD2  PHE   2           HD2      PHE   2   1.661   0.877   0.415
   20    HE1  PHE   2           HE1      PHE   2  -0.332  -2.654  -2.371
   21    HE2  PHE   2           HE2      PHE   2   1.601  -1.444   1.231
   22    HZ   PHE   2           HZ       PHE   2   0.605  -3.213  -0.163
   23    H    LYS   3           H        LYS   3   1.874   1.208  -4.511
   24    HA   LYS   3           HA       LYS   3   2.000   1.799  -6.709
   25    HB2  LYS   3           HB2      LYS   3   0.824   4.439  -5.857
   26    HB3  LYS   3           HB3      LYS   3   0.605   3.597  -7.385
   27    HG2  LYS   3           HG2      LYS   3  -0.451   2.702  -4.711
   28    HG3  LYS   3           HG3      LYS   3  -1.389   3.456  -6.003
   29    HD2  LYS   3           HD2      LYS   3  -1.008   1.580  -7.452
   30    HD3  LYS   3           HD3      LYS   3   0.119   0.861  -6.300
   31    HE2  LYS   3           HE2      LYS   3  -1.729  -0.335  -5.747
   32    HE3  LYS   3           HE3      LYS   3  -2.010   1.063  -4.711
   33    HZ1  LYS   3           HZ1      LYS   3  -3.724   1.772  -5.975
   34    HZ2  LYS   3           HZ2      LYS   3  -3.057   1.212  -7.426
   35    HZ3  LYS   3           HZ3      LYS   3  -3.830   0.132  -6.378
   36    H    LYS   4           H        LYS   4   4.396   1.896  -6.240
   37    HA   LYS   4           HA       LYS   4   5.656   4.449  -6.024
   38    HB2  LYS   4           HB2      LYS   4   7.724   3.270  -6.312
   39    HB3  LYS   4           HB3      LYS   4   6.683   2.289  -5.289
   40    HG2  LYS   4           HG2      LYS   4   6.053   1.009  -7.371
   41    HG3  LYS   4           HG3      LYS   4   7.369   1.862  -8.182
   42    HD2  LYS   4           HD2      LYS   4   8.994   0.763  -6.996
   43    HD3  LYS   4           HD3      LYS   4   7.948   0.501  -5.599
   44    HE2  LYS   4           HE2      LYS   4   7.483  -1.546  -6.320
   45    HE3  LYS   4           HE3      LYS   4   6.833  -0.881  -7.818
   46    HZ1  LYS   4           HZ1      LYS   4   9.571  -1.837  -7.265
   47    HZ2  LYS   4           HZ2      LYS   4   8.519  -2.299  -8.507
   48    HZ3  LYS   4           HZ3      LYS   4   9.262  -0.779  -8.549
   49    H    VAL   5           H        VAL   5   7.366   5.063  -7.728
   50    HA   VAL   5           HA       VAL   5   6.011   5.124 -10.331
   51    HB   VAL   5           HB       VAL   5   8.275   6.885  -9.391
   52   HG11  VAL   5          HG11      VAL   5   6.948   8.290 -11.274
   53   HG12  VAL   5          HG12      VAL   5   8.340   7.261 -11.613
   54   HG13  VAL   5          HG13      VAL   5   6.706   6.649 -11.872
   55   HG21  VAL   5          HG21      VAL   5   5.328   7.096  -9.035
   56   HG22  VAL   5          HG22      VAL   5   6.634   7.571  -7.949
   57   HG23  VAL   5          HG23      VAL   5   6.245   8.569  -9.351
   58    H    ILE   6           H        ILE   6   7.119   4.695 -12.251
   59    HA   ILE   6           HA       ILE   6   9.777   3.469 -11.982
   60    HB   ILE   6           HB       ILE   6   8.682   1.983 -13.990
   61   HG12  ILE   6          HG12      ILE   6   6.448   3.082 -13.205
   62   HG13  ILE   6          HG13      ILE   6   6.488   1.354 -13.541
   63   HG21  ILE   6          HG21      ILE   6   8.846   1.398 -11.040
   64   HG22  ILE   6          HG22      ILE   6   8.539   0.171 -12.270
   65   HG23  ILE   6          HG23      ILE   6  10.060   1.063 -12.275
   66   HD11  ILE   6          HD11      ILE   6   5.388   2.352 -11.354
   67   HD12  ILE   6          HD12      ILE   6   6.202   0.788 -11.368
   68   HD13  ILE   6          HD13      ILE   6   7.045   2.215 -10.766
   69    H    TRP   7           H        TRP   7  10.896   5.079 -12.979
   70    HA   TRP   7           HA       TRP   7   9.972   6.324 -15.395
   71    HB2  TRP   7           HB2      TRP   7  11.378   7.504 -13.717
   72    HB3  TRP   7           HB3      TRP   7  12.716   6.434 -14.126
   73    HD1  TRP   7           HD1      TRP   7  10.974   9.572 -15.253
   74    HE1  TRP   7           HE1      TRP   7  12.176  10.531 -17.317
   75    HE3  TRP   7           HE3      TRP   7  14.053   5.629 -16.303
   76    HZ2  TRP   7           HZ2      TRP   7  14.165   9.721 -19.149
   77    HZ3  TRP   7           HZ3      TRP   7  15.575   5.801 -18.229
   78    HH2  TRP   7           HH2      TRP   7  15.628   7.805 -19.622
   79    H    LYS   8           H        LYS   8  12.264   3.791 -14.559
   80    HA   LYS   8           HA       LYS   8  13.553   3.533 -17.029
   81    HB2  LYS   8           HB2      LYS   8  12.919   1.275 -15.127
   82    HB3  LYS   8           HB3      LYS   8  14.240   1.352 -16.285
   83    HG2  LYS   8           HG2      LYS   8  15.487   2.038 -14.577
   84    HG3  LYS   8           HG3      LYS   8  14.655   3.586 -14.746
   85    HD2  LYS   8           HD2      LYS   8  14.140   3.251 -12.576
   86    HD3  LYS   8           HD3      LYS   8  12.866   2.228 -13.243
   87    HE2  LYS   8           HE2      LYS   8  15.586   1.323 -12.305
   88    HE3  LYS   8           HE3      LYS   8  14.054   1.063 -11.473
   89    HZ1  LYS   8           HZ1      LYS   8  14.514  -0.923 -12.601
   90    HZ2  LYS   8           HZ2      LYS   8  13.344  -0.154 -13.551
   91    HZ3  LYS   8           HZ3      LYS   8  14.968  -0.128 -14.024
   92    H    SER   9           H        SER   9  10.487   2.267 -15.872
   93    HA   SER   9           HA       SER   9   9.964   0.370 -17.834
   94    HB2  SER   9           HB2      SER   9   8.603   0.883 -15.739
   95    HB3  SER   9           HB3      SER   9   7.855   2.186 -16.662
   96    HG   SER   9           HG       SER   9   6.739   0.770 -17.760
   97    H    PHE  10           H        PHE  10   9.608   3.865 -17.909
   98    HA   PHE  10           HA       PHE  10   8.285   3.872 -20.468
   99    HB2  PHE  10           HB2      PHE  10   9.456   6.084 -18.775
  100    HB3  PHE  10           HB3      PHE  10   8.650   6.361 -20.316
  101    HD1  PHE  10           HD1      PHE  10   8.233   5.997 -16.810
  102    HD2  PHE  10           HD2      PHE  10   6.236   5.524 -20.539
  103    HE1  PHE  10           HE1      PHE  10   6.063   6.071 -15.653
  104    HE2  PHE  10           HE2      PHE  10   4.062   5.598 -19.388
  105    HZ   PHE  10           HZ       PHE  10   3.974   5.873 -16.942
  106    H    LEU  11           H        LEU  11  11.535   4.560 -19.251
  107    HA   LEU  11           HA       LEU  11  13.528   4.898 -20.305
  108    HB2  LEU  11           HB2      LEU  11  12.491   2.502 -21.101
  109    HB3  LEU  11           HB3      LEU  11  12.825   3.282 -22.646
  110    HG   LEU  11           HG       LEU  11  14.862   2.859 -20.460
  111   HD11  LEU  11          HD11      LEU  11  13.799   0.852 -21.856
  112   HD12  LEU  11          HD12      LEU  11  14.998   1.397 -23.029
  113   HD13  LEU  11          HD13      LEU  11  15.505   0.907 -21.413
  114   HD21  LEU  11          HD21      LEU  11  15.371   3.534 -23.340
  115   HD22  LEU  11          HD22      LEU  11  15.123   4.786 -22.123
  116   HD23  LEU  11          HD23      LEU  11  16.467   3.656 -21.964
  Start of MODEL   11
    1    H1   LYS   1           H        LYS   1  -0.367   0.623  -1.530
    2    HA   LYS   1           HA       LYS   1   0.429   1.764   0.270
    3    HB2  LYS   1           HB2      LYS   1   2.283  -0.596   0.245
    4    HB3  LYS   1           HB3      LYS   1   2.545   0.725   1.376
    5    HG2  LYS   1           HG2      LYS   1  -0.144  -0.557   1.198
    6    HG3  LYS   1           HG3      LYS   1   1.156  -1.351   2.090
    7    HD2  LYS   1           HD2      LYS   1   1.002   0.091   3.794
    8    HD3  LYS   1           HD3      LYS   1   0.919   1.485   2.714
    9    HE2  LYS   1           HE2      LYS   1  -1.411   1.290   2.470
   10    HE3  LYS   1           HE3      LYS   1  -1.426  -0.347   3.126
   11    HZ1  LYS   1           HZ1      LYS   1  -0.337   1.384   5.046
   12    HZ2  LYS   1           HZ2      LYS   1  -1.788   2.057   4.495
   13    HZ3  LYS   1           HZ3      LYS   1  -1.770   0.489   5.131
   14    H    PHE   2           H        PHE   2   2.821   0.816  -2.130
   15    HA   PHE   2           HA       PHE   2   4.085   3.459  -1.813
   16    HB2  PHE   2           HB2      PHE   2   5.329   0.794  -2.486
   17    HB3  PHE   2           HB3      PHE   2   6.150   2.323  -2.784
   18    HD1  PHE   2           HD1      PHE   2   7.142   3.557  -1.017
   19    HD2  PHE   2           HD2      PHE   2   4.811   0.097  -0.177
   20    HE1  PHE   2           HE1      PHE   2   7.969   3.567   1.301
   21    HE2  PHE   2           HE2      PHE   2   5.632   0.101   2.142
   22    HZ   PHE   2           HZ       PHE   2   7.213   1.838   2.884
   23    H    LYS   3           H        LYS   3   3.681   4.747  -3.471
   24    HA   LYS   3           HA       LYS   3   3.144   3.549  -6.104
   25    HB2  LYS   3           HB2      LYS   3   2.355   6.241  -4.975
   26    HB3  LYS   3           HB3      LYS   3   2.043   5.726  -6.628
   27    HG2  LYS   3           HG2      LYS   3   0.366   4.322  -6.024
   28    HG3  LYS   3           HG3      LYS   3   1.083   3.960  -4.452
   29    HD2  LYS   3           HD2      LYS   3   0.399   6.731  -4.544
   30    HD3  LYS   3           HD3      LYS   3  -0.998   5.779  -5.052
   31    HE2  LYS   3           HE2      LYS   3  -0.870   4.456  -3.028
   32    HE3  LYS   3           HE3      LYS   3   0.596   5.302  -2.536
   33    HZ1  LYS   3           HZ1      LYS   3  -0.574   7.018  -1.759
   34    HZ2  LYS   3           HZ2      LYS   3  -1.622   7.051  -3.088
   35    HZ3  LYS   3           HZ3      LYS   3  -1.912   5.984  -1.807
   36    H    LYS   4           H        LYS   4   5.790   3.723  -5.377
   37    HA   LYS   4           HA       LYS   4   7.168   6.045  -5.999
   38    HB2  LYS   4           HB2      LYS   4   7.814   3.146  -6.031
   39    HB3  LYS   4           HB3      LYS   4   8.909   4.213  -6.899
   40    HG2  LYS   4           HG2      LYS   4   9.630   3.785  -4.593
   41    HG3  LYS   4           HG3      LYS   4   9.316   5.495  -4.897
   42    HD2  LYS   4           HD2      LYS   4   7.031   3.924  -3.889
   43    HD3  LYS   4           HD3      LYS   4   8.368   4.150  -2.759
   44    HE2  LYS   4           HE2      LYS   4   7.837   6.289  -2.426
   45    HE3  LYS   4           HE3      LYS   4   7.710   6.601  -4.156
   46    HZ1  LYS   4           HZ1      LYS   4   5.544   5.108  -2.881
   47    HZ2  LYS   4           HZ2      LYS   4   5.639   6.768  -2.567
   48    HZ3  LYS   4           HZ3      LYS   4   5.487   6.216  -4.159
   49    H    VAL   5           H        VAL   5   8.482   6.504  -7.942
   50    HA   VAL   5           HA       VAL   5   6.835   6.539 -10.271
   51    HB   VAL   5           HB       VAL   5   9.761   7.264 -10.098
   52   HG11  VAL   5          HG11      VAL   5   8.611   8.964 -11.876
   53   HG12  VAL   5          HG12      VAL   5   9.435   7.467 -12.312
   54   HG13  VAL   5          HG13      VAL   5   7.679   7.493 -12.153
   55   HG21  VAL   5          HG21      VAL   5   9.045   9.539  -9.623
   56   HG22  VAL   5          HG22      VAL   5   7.358   9.024  -9.617
   57   HG23  VAL   5          HG23      VAL   5   8.463   8.438  -8.374
   58    H    ILE   6           H        ILE   6   6.786   5.193 -11.956
   59    HA   ILE   6           HA       ILE   6   8.933   3.188 -12.197
   60    HB   ILE   6           HB       ILE   6   6.078   2.681 -13.002
   61   HG12  ILE   6          HG12      ILE   6   7.428   2.039 -10.372
   62   HG13  ILE   6          HG13      ILE   6   6.064   3.125 -10.611
   63   HG21  ILE   6          HG21      ILE   6   8.391   1.341 -13.588
   64   HG22  ILE   6          HG22      ILE   6   7.784   0.458 -12.187
   65   HG23  ILE   6          HG23      ILE   6   6.771   0.646 -13.618
   66   HD11  ILE   6          HD11      ILE   6   4.684   1.243 -11.305
   67   HD12  ILE   6          HD12      ILE   6   6.052   0.153 -11.078
   68   HD13  ILE   6          HD13      ILE   6   5.355   0.993  -9.693
   69    H    TRP   7           H        TRP   7   8.747   5.764 -13.515
   70    HA   TRP   7           HA       TRP   7   7.850   5.369 -16.200
   71    HB2  TRP   7           HB2      TRP   7   7.961   7.603 -15.141
   72    HB3  TRP   7           HB3      TRP   7   9.717   7.478 -15.095
   73    HD1  TRP   7           HD1      TRP   7   6.819   7.909 -17.582
   74    HE1  TRP   7           HE1      TRP   7   7.764   8.882 -19.770
   75    HE3  TRP   7           HE3      TRP   7  11.807   7.693 -16.479
   76    HZ2  TRP   7           HZ2      TRP   7  10.289   9.478 -20.881
   77    HZ3  TRP   7           HZ3      TRP   7  13.421   8.484 -18.159
   78    HH2  TRP   7           HH2      TRP   7  12.676   9.357 -20.314
   79    H    LYS   8           H        LYS   8  10.948   5.154 -14.540
   80    HA   LYS   8           HA       LYS   8  12.659   4.976 -16.720
   81    HB2  LYS   8           HB2      LYS   8  14.100   3.576 -15.171
   82    HB3  LYS   8           HB3      LYS   8  13.626   5.158 -14.566
   83    HG2  LYS   8           HG2      LYS   8  11.677   3.216 -13.784
   84    HG3  LYS   8           HG3      LYS   8  13.290   2.662 -13.329
   85    HD2  LYS   8           HD2      LYS   8  13.475   5.213 -12.543
   86    HD3  LYS   8           HD3      LYS   8  11.733   4.990 -12.367
   87    HE2  LYS   8           HE2      LYS   8  12.642   4.413 -10.279
   88    HE3  LYS   8           HE3      LYS   8  12.292   2.877 -11.069
   89    HZ1  LYS   8           HZ1      LYS   8  14.464   2.361 -11.226
   90    HZ2  LYS   8           HZ2      LYS   8  14.956   3.956 -11.499
   91    HZ3  LYS   8           HZ3      LYS   8  14.620   3.432  -9.926
   92    H    SER   9           H        SER   9  10.589   2.537 -15.268
   93    HA   SER   9           HA       SER   9  11.598   0.229 -16.403
   94    HB2  SER   9           HB2      SER   9   9.841   0.027 -14.808
   95    HB3  SER   9           HB3      SER   9   8.757   1.031 -15.770
   96    HG   SER   9           HG       SER   9   9.780  -1.405 -16.764
   97    H    PHE  10           H        PHE  10   9.567   2.709 -17.842
   98    HA   PHE  10           HA       PHE  10   9.398   1.210 -20.343
   99    HB2  PHE  10           HB2      PHE  10   8.107   3.775 -19.409
  100    HB3  PHE  10           HB3      PHE  10   7.948   3.162 -21.051
  101    HD1  PHE  10           HD1      PHE  10   7.227   2.418 -17.506
  102    HD2  PHE  10           HD2      PHE  10   6.416   1.454 -21.572
  103    HE1  PHE  10           HE1      PHE  10   5.333   1.018 -16.793
  104    HE2  PHE  10           HE2      PHE  10   4.520   0.054 -20.866
  105    HZ   PHE  10           HZ       PHE  10   3.976  -0.165 -18.474
  106    H    LEU  11           H        LEU  11  10.677   4.252 -19.070
  107    HA   LEU  11           HA       LEU  11  12.139   5.778 -19.925
  108    HB2  LEU  11           HB2      LEU  11  13.315   3.314 -19.930
  109    HB3  LEU  11           HB3      LEU  11  13.551   3.831 -21.598
  110    HG   LEU  11           HG       LEU  11  14.431   5.399 -19.175
  111   HD11  LEU  11          HD11      LEU  11  15.722   3.389 -19.269
  112   HD12  LEU  11          HD12      LEU  11  15.962   3.562 -21.007
  113   HD13  LEU  11          HD13      LEU  11  16.713   4.706 -19.895
  114   HD21  LEU  11          HD21      LEU  11  15.314   5.766 -22.021
  115   HD22  LEU  11          HD22      LEU  11  13.898   6.594 -21.374
  116   HD23  LEU  11          HD23      LEU  11  15.485   6.871 -20.657
  Start of MODEL   12
    1    H1   LYS   1           H        LYS   1   1.132  -0.636  -0.376
    2    HA   LYS   1           HA       LYS   1   3.398   0.172  -0.414
    3    HB2  LYS   1           HB2      LYS   1   4.568   0.167  -2.660
    4    HB3  LYS   1           HB3      LYS   1   4.334  -1.409  -1.914
    5    HG2  LYS   1           HG2      LYS   1   2.166  -0.595  -3.703
    6    HG3  LYS   1           HG3      LYS   1   3.733  -0.791  -4.492
    7    HD2  LYS   1           HD2      LYS   1   3.918  -3.043  -3.748
    8    HD3  LYS   1           HD3      LYS   1   2.538  -2.864  -2.661
    9    HE2  LYS   1           HE2      LYS   1   1.066  -3.280  -4.294
   10    HE3  LYS   1           HE3      LYS   1   1.904  -2.228  -5.434
   11    HZ1  LYS   1           HZ1      LYS   1   3.280  -4.699  -4.851
   12    HZ2  LYS   1           HZ2      LYS   1   1.790  -4.904  -5.626
   13    HZ3  LYS   1           HZ3      LYS   1   2.989  -3.946  -6.338
   14    H    PHE   2           H        PHE   2   4.227   2.197  -1.445
   15    HA   PHE   2           HA       PHE   2   2.012   3.979  -1.915
   16    HB2  PHE   2           HB2      PHE   2   4.937   4.285  -1.423
   17    HB3  PHE   2           HB3      PHE   2   4.087   5.613  -2.205
   18    HD1  PHE   2           HD1      PHE   2   3.140   7.234  -0.884
   19    HD2  PHE   2           HD2      PHE   2   3.760   3.349   0.739
   20    HE1  PHE   2           HE1      PHE   2   2.365   8.032   1.311
   21    HE2  PHE   2           HE2      PHE   2   2.985   4.140   2.936
   22    HZ   PHE   2           HZ       PHE   2   2.286   6.484   3.224
   23    H    LYS   3           H        LYS   3   2.577   5.797  -3.650
   24    HA   LYS   3           HA       LYS   3   2.494   4.438  -6.190
   25    HB2  LYS   3           HB2      LYS   3   2.231   7.326  -5.367
   26    HB3  LYS   3           HB3      LYS   3   2.250   6.833  -7.055
   27    HG2  LYS   3           HG2      LYS   3   0.191   5.855  -6.940
   28    HG3  LYS   3           HG3      LYS   3   0.336   5.494  -5.218
   29    HD2  LYS   3           HD2      LYS   3   0.410   8.269  -5.357
   30    HD3  LYS   3           HD3      LYS   3  -0.816   7.803  -6.538
   31    HE2  LYS   3           HE2      LYS   3  -2.054   6.606  -4.893
   32    HE3  LYS   3           HE3      LYS   3  -0.750   6.752  -3.716
   33    HZ1  LYS   3           HZ1      LYS   3  -2.896   8.482  -4.114
   34    HZ2  LYS   3           HZ2      LYS   3  -1.611   8.655  -3.027
   35    HZ3  LYS   3           HZ3      LYS   3  -1.501   9.319  -4.579
   36    H    LYS   4           H        LYS   4   4.813   3.677  -5.664
   37    HA   LYS   4           HA       LYS   4   6.988   5.446  -5.906
   38    HB2  LYS   4           HB2      LYS   4   6.661   2.487  -6.306
   39    HB3  LYS   4           HB3      LYS   4   8.191   3.274  -6.672
   40    HG2  LYS   4           HG2      LYS   4   8.579   2.654  -4.520
   41    HG3  LYS   4           HG3      LYS   4   7.875   4.249  -4.242
   42    HD2  LYS   4           HD2      LYS   4   6.087   3.390  -3.206
   43    HD3  LYS   4           HD3      LYS   4   5.874   2.138  -4.432
   44    HE2  LYS   4           HE2      LYS   4   8.028   1.987  -2.341
   45    HE3  LYS   4           HE3      LYS   4   6.400   1.374  -2.056
   46    HZ1  LYS   4           HZ1      LYS   4   6.649  -0.119  -3.916
   47    HZ2  LYS   4           HZ2      LYS   4   8.183   0.504  -4.266
   48    HZ3  LYS   4           HZ3      LYS   4   7.925  -0.354  -2.831
   49    H    VAL   5           H        VAL   5   8.106   6.222  -7.624
   50    HA   VAL   5           HA       VAL   5   6.805   6.243 -10.173
   51    HB   VAL   5           HB       VAL   5   9.526   7.308  -9.402
   52   HG11  VAL   5          HG11      VAL   5   7.876   7.512 -11.887
   53   HG12  VAL   5          HG12      VAL   5   8.960   8.827 -11.433
   54   HG13  VAL   5          HG13      VAL   5   9.604   7.209 -11.711
   55   HG21  VAL   5          HG21      VAL   5   7.566   9.331  -9.858
   56   HG22  VAL   5          HG22      VAL   5   6.940   8.182  -8.675
   57   HG23  VAL   5          HG23      VAL   5   8.483   8.987  -8.391
   58    H    ILE   6           H        ILE   6   7.047   4.836 -11.772
   59    HA   ILE   6           HA       ILE   6   9.505   3.210 -11.856
   60    HB   ILE   6           HB       ILE   6   6.838   2.279 -12.896
   61   HG12  ILE   6          HG12      ILE   6   8.056   1.810 -10.167
   62   HG13  ILE   6          HG13      ILE   6   6.562   2.675 -10.513
   63   HG21  ILE   6          HG21      ILE   6   9.374   1.326 -13.294
   64   HG22  ILE   6          HG22      ILE   6   8.800   0.335 -11.953
   65   HG23  ILE   6          HG23      ILE   6   7.889   0.388 -13.462
   66   HD11  ILE   6          HD11      ILE   6   6.122   0.443  -9.666
   67   HD12  ILE   6          HD12      ILE   6   5.555   0.612 -11.327
   68   HD13  ILE   6          HD13      ILE   6   7.054  -0.255 -10.991
   69    H    TRP   7           H        TRP   7   9.025   5.748 -13.174
   70    HA   TRP   7           HA       TRP   7   8.312   5.441 -15.873
   71    HB2  TRP   7           HB2      TRP   7   8.904   7.569 -14.318
   72    HB3  TRP   7           HB3      TRP   7  10.403   7.438 -15.233
   73    HD1  TRP   7           HD1      TRP   7   6.884   8.678 -15.503
   74    HE1  TRP   7           HE1      TRP   7   6.467   9.619 -17.863
   75    HE3  TRP   7           HE3      TRP   7  11.111   6.971 -17.817
   76    HZ2  TRP   7           HZ2      TRP   7   7.759   9.635 -20.372
   77    HZ3  TRP   7           HZ3      TRP   7  11.445   7.491 -20.199
   78    HH2  TRP   7           HH2      TRP   7   9.802   8.796 -21.448
   79    H    LYS   8           H        LYS   8  11.301   4.852 -14.163
   80    HA   LYS   8           HA       LYS   8  13.166   4.827 -16.180
   81    HB2  LYS   8           HB2      LYS   8  12.990   2.750 -13.993
   82    HB3  LYS   8           HB3      LYS   8  14.437   3.261 -14.851
   83    HG2  LYS   8           HG2      LYS   8  14.793   4.869 -13.376
   84    HG3  LYS   8           HG3      LYS   8  13.188   5.542 -13.667
   85    HD2  LYS   8           HD2      LYS   8  12.276   3.821 -12.092
   86    HD3  LYS   8           HD3      LYS   8  13.941   3.380 -11.705
   87    HE2  LYS   8           HE2      LYS   8  13.030   4.930 -10.055
   88    HE3  LYS   8           HE3      LYS   8  14.372   5.655 -10.937
   89    HZ1  LYS   8           HZ1      LYS   8  13.056   7.226 -11.789
   90    HZ2  LYS   8           HZ2      LYS   8  11.793   6.150 -12.120
   91    HZ3  LYS   8           HZ3      LYS   8  11.962   6.805 -10.569
   92    H    SER   9           H        SER   9  10.695   2.438 -15.468
   93    HA   SER   9           HA       SER   9  11.697   0.503 -17.338
   94    HB2  SER   9           HB2      SER   9   9.230   0.752 -15.651
   95    HB3  SER   9           HB3      SER   9   9.277  -0.437 -16.953
   96    HG   SER   9           HG       SER   9  10.605  -1.615 -15.820
   97    H    PHE  10           H        PHE  10   9.281   3.053 -17.367
   98    HA   PHE  10           HA       PHE  10   7.958   2.401 -19.737
   99    HB2  PHE  10           HB2      PHE  10   8.417   4.963 -18.252
  100    HB3  PHE  10           HB3      PHE  10   7.651   5.002 -19.836
  101    HD1  PHE  10           HD1      PHE  10   7.367   2.848 -16.797
  102    HD2  PHE  10           HD2      PHE  10   5.378   5.212 -19.724
  103    HE1  PHE  10           HE1      PHE  10   5.204   2.309 -15.757
  104    HE2  PHE  10           HE2      PHE  10   3.211   4.678 -18.688
  105    HZ   PHE  10           HZ       PHE  10   3.122   3.226 -16.701
  106    H    LEU  11           H        LEU  11  11.015   4.013 -19.181
  107    HA   LEU  11           HA       LEU  11  11.495   5.237 -21.592
  108    HB2  LEU  11           HB2      LEU  11  13.012   4.435 -19.357
  109    HB3  LEU  11           HB3      LEU  11  13.864   3.844 -20.783
  110    HG   LEU  11           HG       LEU  11  13.176   6.510 -21.340
  111   HD11  LEU  11          HD11      LEU  11  14.065   7.766 -19.511
  112   HD12  LEU  11          HD12      LEU  11  12.779   6.732 -18.891
  113   HD13  LEU  11          HD13      LEU  11  14.467   6.294 -18.627
  114   HD21  LEU  11          HD21      LEU  11  15.538   6.820 -21.473
  115   HD22  LEU  11          HD22      LEU  11  15.836   5.443 -20.412
  116   HD23  LEU  11          HD23      LEU  11  15.183   5.184 -22.029
  Start of MODEL   13
    1    H1   LYS   1           H        LYS   1   4.916  -0.635  -1.312
    2    HA   LYS   1           HA       LYS   1   4.865  -0.293  -4.207
    3    HB2  LYS   1           HB2      LYS   1   3.228  -2.303  -2.688
    4    HB3  LYS   1           HB3      LYS   1   2.622  -1.598  -4.181
    5    HG2  LYS   1           HG2      LYS   1   3.756  -3.108  -5.327
    6    HG3  LYS   1           HG3      LYS   1   5.262  -2.441  -4.692
    7    HD2  LYS   1           HD2      LYS   1   5.400  -4.015  -3.005
    8    HD3  LYS   1           HD3      LYS   1   3.665  -4.339  -3.024
    9    HE2  LYS   1           HE2      LYS   1   3.979  -5.368  -5.288
   10    HE3  LYS   1           HE3      LYS   1   5.718  -5.206  -5.052
   11    HZ1  LYS   1           HZ1      LYS   1   5.714  -6.760  -3.355
   12    HZ2  LYS   1           HZ2      LYS   1   4.055  -6.610  -3.062
   13    HZ3  LYS   1           HZ3      LYS   1   4.600  -7.414  -4.447
   14    H    PHE   2           H        PHE   2   4.295   1.797  -4.255
   15    HA   PHE   2           HA       PHE   2   1.705   2.524  -3.134
   16    HB2  PHE   2           HB2      PHE   2   3.705   3.115  -1.550
   17    HB3  PHE   2           HB3      PHE   2   3.982   4.424  -2.695
   18    HD1  PHE   2           HD1      PHE   2   2.964   6.441  -2.298
   19    HD2  PHE   2           HD2      PHE   2   1.198   2.897  -0.737
   20    HE1  PHE   2           HE1      PHE   2   1.254   7.797  -1.162
   21    HE2  PHE   2           HE2      PHE   2  -0.514   4.247   0.401
   22    HZ   PHE   2           HZ       PHE   2  -0.488   6.701   0.189
   23    H    LYS   3           H        LYS   3   2.977   2.107  -5.809
   24    HA   LYS   3           HA       LYS   3   3.024   3.055  -7.881
   25    HB2  LYS   3           HB2      LYS   3   0.926   4.950  -6.838
   26    HB3  LYS   3           HB3      LYS   3   1.122   4.345  -8.478
   27    HG2  LYS   3           HG2      LYS   3   0.314   2.694  -6.093
   28    HG3  LYS   3           HG3      LYS   3  -0.776   3.313  -7.336
   29    HD2  LYS   3           HD2      LYS   3   0.250   1.962  -9.014
   30    HD3  LYS   3           HD3      LYS   3   1.563   1.506  -7.926
   31    HE2  LYS   3           HE2      LYS   3  -0.164   0.425  -6.459
   32    HE3  LYS   3           HE3      LYS   3  -1.340   0.719  -7.739
   33    HZ1  LYS   3           HZ1      LYS   3  -0.416  -0.849  -9.078
   34    HZ2  LYS   3           HZ2      LYS   3   1.142  -0.660  -8.446
   35    HZ3  LYS   3           HZ3      LYS   3  -0.022  -1.529  -7.580
   36    H    LYS   4           H        LYS   4   5.188   3.894  -7.217
   37    HA   LYS   4           HA       LYS   4   5.229   6.816  -6.919
   38    HB2  LYS   4           HB2      LYS   4   7.497   6.595  -6.157
   39    HB3  LYS   4           HB3      LYS   4   6.510   5.431  -5.282
   40    HG2  LYS   4           HG2      LYS   4   7.267   3.730  -7.019
   41    HG3  LYS   4           HG3      LYS   4   8.477   4.926  -7.489
   42    HD2  LYS   4           HD2      LYS   4   9.009   4.972  -4.933
   43    HD3  LYS   4           HD3      LYS   4   8.205   3.401  -4.931
   44    HE2  LYS   4           HE2      LYS   4   9.823   3.020  -7.009
   45    HE3  LYS   4           HE3      LYS   4  10.781   4.226  -6.152
   46    HZ1  LYS   4           HZ1      LYS   4  11.545   2.505  -4.987
   47    HZ2  LYS   4           HZ2      LYS   4  10.051   2.502  -4.193
   48    HZ3  LYS   4           HZ3      LYS   4  10.313   1.468  -5.507
   49    H    VAL   5           H        VAL   5   6.904   7.997  -8.149
   50    HA   VAL   5           HA       VAL   5   6.711   7.396 -10.927
   51    HB   VAL   5           HB       VAL   5   8.527   9.421  -9.616
   52   HG11  VAL   5          HG11      VAL   5   8.625  10.498 -11.705
   53   HG12  VAL   5          HG12      VAL   5   8.864   8.786 -12.056
   54   HG13  VAL   5          HG13      VAL   5   7.296   9.538 -12.355
   55   HG21  VAL   5          HG21      VAL   5   6.410  10.848 -10.525
   56   HG22  VAL   5          HG22      VAL   5   5.612   9.369  -9.990
   57   HG23  VAL   5          HG23      VAL   5   6.596  10.298  -8.859
   58    H    ILE   6           H        ILE   6   7.957   6.100 -12.092
   59    HA   ILE   6           HA       ILE   6  10.789   5.830 -11.447
   60    HB   ILE   6           HB       ILE   6   9.578   3.247 -12.107
   61   HG12  ILE   6          HG12      ILE   6   8.944   4.601  -9.479
   62   HG13  ILE   6          HG13      ILE   6   7.792   4.012 -10.672
   63   HG21  ILE   6          HG21      ILE   6  11.967   4.079 -11.199
   64   HG22  ILE   6          HG22      ILE   6  11.197   3.639  -9.674
   65   HG23  ILE   6          HG23      ILE   6  11.350   2.444 -10.962
   66   HD11  ILE   6          HD11      ILE   6   7.904   2.510  -8.789
   67   HD12  ILE   6          HD12      ILE   6   8.537   1.720 -10.233
   68   HD13  ILE   6          HD13      ILE   6   9.646   2.330  -9.005
   69    H    TRP   7           H        TRP   7  11.574   6.607 -13.317
   70    HA   TRP   7           HA       TRP   7  10.400   6.370 -15.842
   71    HB2  TRP   7           HB2      TRP   7  12.075   8.048 -15.464
   72    HB3  TRP   7           HB3      TRP   7  13.275   6.831 -15.035
   73    HD1  TRP   7           HD1      TRP   7  15.028   6.859 -16.899
   74    HE1  TRP   7           HE1      TRP   7  14.983   6.811 -19.472
   75    HE3  TRP   7           HE3      TRP   7   9.977   7.159 -17.629
   76    HZ2  TRP   7           HZ2      TRP   7  13.061   6.891 -21.538
   77    HZ3  TRP   7           HZ3      TRP   7   9.117   7.168 -19.934
   78    HH2  TRP   7           HH2      TRP   7  10.628   7.037 -21.847
   79    H    LYS   8           H        LYS   8  12.655   4.281 -14.140
   80    HA   LYS   8           HA       LYS   8  13.471   2.641 -16.235
   81    HB2  LYS   8           HB2      LYS   8  12.963   1.872 -13.354
   82    HB3  LYS   8           HB3      LYS   8  13.906   0.937 -14.507
   83    HG2  LYS   8           HG2      LYS   8  15.703   2.045 -13.849
   84    HG3  LYS   8           HG3      LYS   8  15.004   3.512 -14.539
   85    HD2  LYS   8           HD2      LYS   8  15.257   4.245 -12.405
   86    HD3  LYS   8           HD3      LYS   8  13.682   3.471 -12.217
   87    HE2  LYS   8           HE2      LYS   8  16.319   2.119 -11.665
   88    HE3  LYS   8           HE3      LYS   8  15.327   2.897 -10.433
   89    HZ1  LYS   8           HZ1      LYS   8  13.514   1.362 -11.059
   90    HZ2  LYS   8           HZ2      LYS   8  14.577   0.561 -12.104
   91    HZ3  LYS   8           HZ3      LYS   8  14.872   0.565 -10.438
   92    H    SER   9           H        SER   9  10.514   2.609 -14.339
   93    HA   SER   9           HA       SER   9   9.589   0.144 -15.544
   94    HB2  SER   9           HB2      SER   9   8.901   0.416 -13.296
   95    HB3  SER   9           HB3      SER   9   8.387   2.081 -13.570
   96    HG   SER   9           HG       SER   9   6.696   0.391 -13.473
   97    H    PHE  10           H        PHE  10   8.985   3.599 -15.824
   98    HA   PHE  10           HA       PHE  10   6.718   3.475 -17.479
   99    HB2  PHE  10           HB2      PHE  10   8.858   5.576 -17.143
  100    HB3  PHE  10           HB3      PHE  10   7.462   5.803 -18.191
  101    HD1  PHE  10           HD1      PHE  10   8.573   7.030 -15.373
  102    HD2  PHE  10           HD2      PHE  10   5.300   4.618 -16.634
  103    HE1  PHE  10           HE1      PHE  10   7.260   7.810 -13.444
  104    HE2  PHE  10           HE2      PHE  10   3.982   5.394 -14.707
  105    HZ   PHE  10           HZ       PHE  10   4.961   6.993 -13.110
  106    H    LEU  11           H        LEU  11  10.155   3.328 -18.182
  107    HA   LEU  11           HA       LEU  11   9.665   3.313 -21.054
  108    HB2  LEU  11           HB2      LEU  11  11.580   4.486 -20.758
  109    HB3  LEU  11           HB3      LEU  11  12.016   3.612 -19.292
  110    HG   LEU  11           HG       LEU  11  12.799   1.729 -20.663
  111   HD11  LEU  11          HD11      LEU  11  11.234   2.292 -22.583
  112   HD12  LEU  11          HD12      LEU  11  12.432   3.492 -23.067
  113   HD13  LEU  11          HD13      LEU  11  12.868   1.784 -23.010
  114   HD21  LEU  11          HD21      LEU  11  14.142   4.149 -21.778
  115   HD22  LEU  11          HD22      LEU  11  14.175   3.862 -20.038
  116   HD23  LEU  11          HD23      LEU  11  14.846   2.662 -21.142
  Start of MODEL   14
    1    H1   LYS   1           H        LYS   1   3.271  -1.744   0.263
    2    HA   LYS   1           HA       LYS   1   3.154  -1.447  -2.017
    3    HB2  LYS   1           HB2      LYS   1   0.350  -0.612  -1.322
    4    HB3  LYS   1           HB3      LYS   1   0.992  -0.371  -2.941
    5    HG2  LYS   1           HG2      LYS   1   1.591  -2.903  -2.774
    6    HG3  LYS   1           HG3      LYS   1   0.357  -2.908  -1.512
    7    HD2  LYS   1           HD2      LYS   1  -0.615  -1.456  -3.776
    8    HD3  LYS   1           HD3      LYS   1  -0.007  -3.025  -4.310
    9    HE2  LYS   1           HE2      LYS   1  -2.132  -3.628  -3.755
   10    HE3  LYS   1           HE3      LYS   1  -1.359  -3.852  -2.186
   11    HZ1  LYS   1           HZ1      LYS   1  -2.083  -1.575  -1.612
   12    HZ2  LYS   1           HZ2      LYS   1  -2.940  -1.499  -3.069
   13    HZ3  LYS   1           HZ3      LYS   1  -3.375  -2.631  -1.890
   14    H    PHE   2           H        PHE   2   3.125   0.426  -3.575
   15    HA   PHE   2           HA       PHE   2   3.268   3.046  -2.307
   16    HB2  PHE   2           HB2      PHE   2   5.594   1.851  -3.830
   17    HB3  PHE   2           HB3      PHE   2   5.503   3.504  -3.230
   18    HD1  PHE   2           HD1      PHE   2   5.415   3.896  -0.757
   19    HD2  PHE   2           HD2      PHE   2   6.292   0.089  -2.446
   20    HE1  PHE   2           HE1      PHE   2   6.388   3.174   1.384
   21    HE2  PHE   2           HE2      PHE   2   7.265  -0.640  -0.307
   22    HZ   PHE   2           HZ       PHE   2   7.313   0.903   1.612
   23    H    LYS   3           H        LYS   3   3.316   4.807  -3.831
   24    HA   LYS   3           HA       LYS   3   2.448   4.038  -6.540
   25    HB2  LYS   3           HB2      LYS   3   0.954   6.045  -6.486
   26    HB3  LYS   3           HB3      LYS   3   0.489   4.770  -5.368
   27    HG2  LYS   3           HG2      LYS   3   0.424   6.311  -3.779
   28    HG3  LYS   3           HG3      LYS   3   2.182   6.412  -3.896
   29    HD2  LYS   3           HD2      LYS   3   1.442   7.982  -5.976
   30    HD3  LYS   3           HD3      LYS   3   0.107   8.266  -4.857
   31    HE2  LYS   3           HE2      LYS   3   2.767   8.317  -3.623
   32    HE3  LYS   3           HE3      LYS   3   2.493   9.584  -4.817
   33    HZ1  LYS   3           HZ1      LYS   3   0.212   9.606  -3.357
   34    HZ2  LYS   3           HZ2      LYS   3   1.387   9.283  -2.183
   35    HZ3  LYS   3           HZ3      LYS   3   1.515  10.666  -3.150
   36    H    LYS   4           H        LYS   4   5.107   4.675  -5.750
   37    HA   LYS   4           HA       LYS   4   5.727   7.388  -6.341
   38    HB2  LYS   4           HB2      LYS   4   8.024   6.703  -6.306
   39    HB3  LYS   4           HB3      LYS   4   7.185   5.841  -5.023
   40    HG2  LYS   4           HG2      LYS   4   6.938   4.013  -6.926
   41    HG3  LYS   4           HG3      LYS   4   8.388   4.818  -7.531
   42    HD2  LYS   4           HD2      LYS   4   9.229   4.575  -5.086
   43    HD3  LYS   4           HD3      LYS   4   7.971   3.344  -4.958
   44    HE2  LYS   4           HE2      LYS   4   9.965   3.313  -7.198
   45    HE3  LYS   4           HE3      LYS   4  10.343   2.607  -5.628
   46    HZ1  LYS   4           HZ1      LYS   4   9.491   0.918  -7.073
   47    HZ2  LYS   4           HZ2      LYS   4   8.343   1.214  -5.867
   48    HZ3  LYS   4           HZ3      LYS   4   8.111   1.831  -7.425
   49    H    VAL   5           H        VAL   5   7.658   7.510  -8.162
   50    HA   VAL   5           HA       VAL   5   6.280   6.790 -10.657
   51    HB   VAL   5           HB       VAL   5   8.388   8.900 -10.173
   52   HG11  VAL   5          HG11      VAL   5   8.742   8.473 -12.378
   53   HG12  VAL   5          HG12      VAL   5   7.122   7.823 -12.627
   54   HG13  VAL   5          HG13      VAL   5   7.368   9.567 -12.538
   55   HG21  VAL   5          HG21      VAL   5   5.522   8.901  -9.863
   56   HG22  VAL   5          HG22      VAL   5   6.695  10.156  -9.462
   57   HG23  VAL   5          HG23      VAL   5   6.022  10.065 -11.090
   58    H    ILE   6           H        ILE   6   7.307   5.693 -12.279
   59    HA   ILE   6           HA       ILE   6  10.086   4.857 -11.810
   60    HB   ILE   6           HB       ILE   6   9.024   2.661 -13.048
   61   HG12  ILE   6          HG12      ILE   6   6.747   3.801 -12.487
   62   HG13  ILE   6          HG13      ILE   6   6.947   2.080 -12.174
   63   HG21  ILE   6          HG21      ILE   6   9.456   3.205 -10.118
   64   HG22  ILE   6          HG22      ILE   6   9.192   1.596 -10.790
   65   HG23  ILE   6          HG23      ILE   6  10.609   2.531 -11.270
   66   HD11  ILE   6          HD11      ILE   6   5.906   3.747 -10.398
   67   HD12  ILE   6          HD12      ILE   6   6.862   2.342  -9.928
   68   HD13  ILE   6          HD13      ILE   6   7.606   3.940  -9.972
   69    H    TRP   7           H        TRP   7  10.981   6.070 -13.413
   70    HA   TRP   7           HA       TRP   7   9.812   6.191 -16.046
   71    HB2  TRP   7           HB2      TRP   7  10.938   8.161 -15.285
   72    HB3  TRP   7           HB3      TRP   7  12.395   7.251 -14.895
   73    HD1  TRP   7           HD1      TRP   7  14.189   8.061 -16.533
   74    HE1  TRP   7           HE1      TRP   7  14.338   8.401 -19.080
   75    HE3  TRP   7           HE3      TRP   7   9.328   7.070 -17.769
   76    HZ2  TRP   7           HZ2      TRP   7  12.621   8.267 -21.317
   77    HZ3  TRP   7           HZ3      TRP   7   8.663   7.198 -20.134
   78    HH2  TRP   7           HH2      TRP   7  10.277   7.785 -21.870
   79    H    LYS   8           H        LYS   8  12.463   4.506 -14.470
   80    HA   LYS   8           HA       LYS   8  13.808   3.517 -16.694
   81    HB2  LYS   8           HB2      LYS   8  13.359   2.132 -14.043
   82    HB3  LYS   8           HB3      LYS   8  14.604   1.724 -15.216
   83    HG2  LYS   8           HG2      LYS   8  15.972   3.236 -14.360
   84    HG3  LYS   8           HG3      LYS   8  14.767   4.508 -14.569
   85    HD2  LYS   8           HD2      LYS   8  13.698   3.675 -12.438
   86    HD3  LYS   8           HD3      LYS   8  15.131   2.670 -12.211
   87    HE2  LYS   8           HE2      LYS   8  15.817   4.491 -11.044
   88    HE3  LYS   8           HE3      LYS   8  16.337   5.006 -12.648
   89    HZ1  LYS   8           HZ1      LYS   8  15.131   6.757 -11.505
   90    HZ2  LYS   8           HZ2      LYS   8  14.279   6.251 -12.877
   91    HZ3  LYS   8           HZ3      LYS   8  13.778   5.755 -11.339
   92    H    SER   9           H        SER   9  10.867   2.390 -15.135
   93    HA   SER   9           HA       SER   9  10.715   0.006 -16.760
   94    HB2  SER   9           HB2      SER   9   9.005  -0.650 -15.386
   95    HB3  SER   9           HB3      SER   9   9.744   0.544 -14.319
   96    HG   SER   9           HG       SER   9   7.365   0.655 -14.747
   97    H    PHE  10           H        PHE  10   9.274   3.211 -16.694
   98    HA   PHE  10           HA       PHE  10   7.260   2.774 -18.610
   99    HB2  PHE  10           HB2      PHE  10   8.624   5.155 -17.460
  100    HB3  PHE  10           HB3      PHE  10   7.740   5.381 -18.966
  101    HD1  PHE  10           HD1      PHE  10   6.981   3.219 -16.035
  102    HD2  PHE  10           HD2      PHE  10   5.829   6.556 -18.413
  103    HE1  PHE  10           HE1      PHE  10   4.879   3.391 -14.768
  104    HE2  PHE  10           HE2      PHE  10   3.725   6.734 -17.149
  105    HZ   PHE  10           HZ       PHE  10   3.248   5.151 -15.324
  106    H    LEU  11           H        LEU  11  10.660   3.606 -18.900
  107    HA   LEU  11           HA       LEU  11  10.428   3.861 -21.798
  108    HB2  LEU  11           HB2      LEU  11  11.872   5.487 -21.161
  109    HB3  LEU  11           HB3      LEU  11  12.432   4.589 -19.753
  110    HG   LEU  11           HG       LEU  11  13.851   3.212 -21.211
  111   HD11  LEU  11          HD11      LEU  11  13.158   5.094 -23.448
  112   HD12  LEU  11          HD12      LEU  11  14.087   3.596 -23.517
  113   HD13  LEU  11          HD13      LEU  11  12.348   3.543 -23.230
  114   HD21  LEU  11          HD21      LEU  11  15.466   4.699 -20.876
  115   HD22  LEU  11          HD22      LEU  11  14.821   5.758 -22.131
  116   HD23  LEU  11          HD23      LEU  11  14.224   5.886 -20.476
  Start of MODEL   15
    1    H1   LYS   1           H        LYS   1   2.438  -2.336  -0.042
    2    HA   LYS   1           HA       LYS   1   3.037  -1.315  -2.396
    3    HB2  LYS   1           HB2      LYS   1   0.760  -2.167  -1.573
    4    HB3  LYS   1           HB3      LYS   1   0.410  -0.490  -1.175
    5    HG2  LYS   1           HG2      LYS   1   1.316  -0.334  -3.766
    6    HG3  LYS   1           HG3      LYS   1   0.397  -1.841  -3.747
    7    HD2  LYS   1           HD2      LYS   1  -0.825   0.520  -2.430
    8    HD3  LYS   1           HD3      LYS   1  -0.742   0.527  -4.194
    9    HE2  LYS   1           HE2      LYS   1  -2.824  -0.437  -3.668
   10    HE3  LYS   1           HE3      LYS   1  -1.779  -1.788  -4.104
   11    HZ1  LYS   1           HZ1      LYS   1  -3.212  -1.443  -1.751
   12    HZ2  LYS   1           HZ2      LYS   1  -2.127  -2.687  -2.126
   13    HZ3  LYS   1           HZ3      LYS   1  -1.578  -1.295  -1.337
   14    H    PHE   2           H        PHE   2   3.992   0.471  -3.090
   15    HA   PHE   2           HA       PHE   2   3.433   3.002  -1.689
   16    HB2  PHE   2           HB2      PHE   2   5.940   2.107  -3.123
   17    HB3  PHE   2           HB3      PHE   2   5.679   3.738  -2.512
   18    HD1  PHE   2           HD1      PHE   2   4.534   3.397   0.080
   19    HD2  PHE   2           HD2      PHE   2   7.531   1.065  -1.841
   20    HE1  PHE   2           HE1      PHE   2   5.406   2.714   2.277
   21    HE2  PHE   2           HE2      PHE   2   8.408   0.377   0.353
   22    HZ   PHE   2           HZ       PHE   2   7.345   1.202   2.416
   23    H    LYS   3           H        LYS   3   3.166   4.885  -2.918
   24    HA   LYS   3           HA       LYS   3   2.467   4.389  -5.734
   25    HB2  LYS   3           HB2      LYS   3   1.043   6.455  -5.483
   26    HB3  LYS   3           HB3      LYS   3   0.526   5.068  -4.533
   27    HG2  LYS   3           HG2      LYS   3   2.359   6.841  -3.113
   28    HG3  LYS   3           HG3      LYS   3   0.843   7.609  -3.591
   29    HD2  LYS   3           HD2      LYS   3  -0.394   6.347  -2.178
   30    HD3  LYS   3           HD3      LYS   3   0.609   4.913  -2.414
   31    HE2  LYS   3           HE2      LYS   3   2.335   5.899  -0.976
   32    HE3  LYS   3           HE3      LYS   3   1.316   7.317  -0.732
   33    HZ1  LYS   3           HZ1      LYS   3  -0.094   6.188   0.628
   34    HZ2  LYS   3           HZ2      LYS   3   0.189   4.690  -0.105
   35    HZ3  LYS   3           HZ3      LYS   3   1.329   5.336   0.966
   36    H    LYS   4           H        LYS   4   4.832   4.672  -6.108
   37    HA   LYS   4           HA       LYS   4   5.600   7.513  -6.161
   38    HB2  LYS   4           HB2      LYS   4   7.897   6.807  -6.208
   39    HB3  LYS   4           HB3      LYS   4   7.090   5.964  -4.893
   40    HG2  LYS   4           HG2      LYS   4   6.889   4.368  -7.237
   41    HG3  LYS   4           HG3      LYS   4   8.569   4.873  -7.038
   42    HD2  LYS   4           HD2      LYS   4   8.237   4.164  -4.570
   43    HD3  LYS   4           HD3      LYS   4   6.839   3.276  -5.182
   44    HE2  LYS   4           HE2      LYS   4   8.714   2.515  -6.965
   45    HE3  LYS   4           HE3      LYS   4   9.724   2.770  -5.542
   46    HZ1  LYS   4           HZ1      LYS   4   7.721   1.382  -4.481
   47    HZ2  LYS   4           HZ2      LYS   4   7.712   0.739  -6.046
   48    HZ3  LYS   4           HZ3      LYS   4   9.118   0.663  -5.108
   49    H    VAL   5           H        VAL   5   7.495   7.617  -8.034
   50    HA   VAL   5           HA       VAL   5   6.029   6.962 -10.494
   51    HB   VAL   5           HB       VAL   5   8.284   8.942 -10.146
   52   HG11  VAL   5          HG11      VAL   5   6.804   7.916 -12.441
   53   HG12  VAL   5          HG12      VAL   5   6.807   9.677 -12.339
   54   HG13  VAL   5          HG13      VAL   5   8.333   8.793 -12.377
   55   HG21  VAL   5          HG21      VAL   5   6.331   9.612  -8.839
   56   HG22  VAL   5          HG22      VAL   5   6.561  10.675 -10.227
   57   HG23  VAL   5          HG23      VAL   5   5.309   9.433 -10.265
   58    H    ILE   6           H        ILE   6   6.909   5.733 -12.076
   59    HA   ILE   6           HA       ILE   6   9.701   4.865 -11.767
   60    HB   ILE   6           HB       ILE   6   8.398   2.674 -12.877
   61   HG12  ILE   6          HG12      ILE   6   6.296   3.860 -11.955
   62   HG13  ILE   6          HG13      ILE   6   6.521   2.156 -11.573
   63   HG21  ILE   6          HG21      ILE   6  10.108   2.101 -11.504
   64   HG22  ILE   6          HG22      ILE   6   9.720   3.349 -10.319
   65   HG23  ILE   6          HG23      ILE   6   8.784   1.855 -10.364
   66   HD11  ILE   6          HD11      ILE   6   5.896   4.042  -9.764
   67   HD12  ILE   6          HD12      ILE   6   6.754   2.550  -9.378
   68   HD13  ILE   6          HD13      ILE   6   7.655   4.045  -9.631
   69    H    TRP   7           H        TRP   7  10.486   6.027 -13.471
   70    HA   TRP   7           HA       TRP   7   9.149   6.045 -16.025
   71    HB2  TRP   7           HB2      TRP   7  10.813   7.560 -16.729
   72    HB3  TRP   7           HB3      TRP   7  10.554   7.943 -15.030
   73    HD1  TRP   7           HD1      TRP   7  12.570   7.592 -13.376
   74    HE1  TRP   7           HE1      TRP   7  15.060   7.042 -13.721
   75    HE3  TRP   7           HE3      TRP   7  12.415   6.174 -18.285
   76    HZ2  TRP   7           HZ2      TRP   7  16.737   6.128 -15.799
   77    HZ3  TRP   7           HZ3      TRP   7  14.506   5.476 -19.377
   78    HH2  TRP   7           HH2      TRP   7  16.621   5.455 -18.159
   79    H    LYS   8           H        LYS   8  11.804   4.339 -14.519
   80    HA   LYS   8           HA       LYS   8  13.139   3.304 -16.698
   81    HB2  LYS   8           HB2      LYS   8  12.492   1.793 -14.161
   82    HB3  LYS   8           HB3      LYS   8  13.827   1.473 -15.261
   83    HG2  LYS   8           HG2      LYS   8  15.106   2.842 -14.090
   84    HG3  LYS   8           HG3      LYS   8  14.019   4.180 -14.474
   85    HD2  LYS   8           HD2      LYS   8  12.578   3.265 -12.536
   86    HD3  LYS   8           HD3      LYS   8  14.039   2.392 -12.066
   87    HE2  LYS   8           HE2      LYS   8  14.050   5.352 -12.573
   88    HE3  LYS   8           HE3      LYS   8  13.625   4.681 -11.000
   89    HZ1  LYS   8           HZ1      LYS   8  16.209   4.866 -12.293
   90    HZ2  LYS   8           HZ2      LYS   8  15.820   4.837 -10.647
   91    HZ3  LYS   8           HZ3      LYS   8  15.905   3.391 -11.521
   92    H    SER   9           H        SER   9  10.061   2.323 -15.328
   93    HA   SER   9           HA       SER   9   9.683  -0.140 -16.506
   94    HB2  SER   9           HB2      SER   9   7.977   0.452 -15.049
   95    HB3  SER   9           HB3      SER   9   7.816   2.070 -15.731
   96    HG   SER   9           HG       SER   9   6.342   1.316 -17.008
   97    H    PHE  10           H        PHE  10   9.411   3.054 -17.935
   98    HA   PHE  10           HA       PHE  10   8.494   1.930 -20.467
   99    HB2  PHE  10           HB2      PHE  10   8.918   4.780 -19.554
  100    HB3  PHE  10           HB3      PHE  10   8.403   4.339 -21.178
  101    HD1  PHE  10           HD1      PHE  10   7.407   4.763 -17.727
  102    HD2  PHE  10           HD2      PHE  10   6.201   3.280 -21.530
  103    HE1  PHE  10           HE1      PHE  10   5.066   4.733 -16.970
  104    HE2  PHE  10           HE2      PHE  10   3.858   3.248 -20.779
  105    HZ   PHE  10           HZ       PHE  10   3.288   3.976 -18.496
  106    H    LEU  11           H        LEU  11  11.304   3.475 -19.034
  107    HA   LEU  11           HA       LEU  11  13.417   3.856 -19.799
  108    HB2  LEU  11           HB2      LEU  11  12.823   1.208 -20.098
  109    HB3  LEU  11           HB3      LEU  11  13.371   1.641 -21.717
  110    HG   LEU  11           HG       LEU  11  14.967   2.070 -19.193
  111   HD11  LEU  11          HD11      LEU  11  15.631  -0.040 -19.303
  112   HD12  LEU  11          HD12      LEU  11  14.456  -0.324 -20.587
  113   HD13  LEU  11          HD13      LEU  11  16.101   0.165 -20.990
  114   HD21  LEU  11          HD21      LEU  11  16.741   2.732 -20.564
  115   HD22  LEU  11          HD22      LEU  11  15.967   2.109 -22.022
  116   HD23  LEU  11          HD23      LEU  11  15.339   3.561 -21.242
  Start of MODEL   16
    1    H1   LYS   1           H        LYS   1   3.139  -0.206  -7.861
    2    HA   LYS   1           HA       LYS   1   2.148   2.024  -7.629
    3    HB2  LYS   1           HB2      LYS   1   0.600   2.330  -5.669
    4    HB3  LYS   1           HB3      LYS   1  -0.052   1.365  -6.986
    5    HG2  LYS   1           HG2      LYS   1   1.311  -0.232  -4.969
    6    HG3  LYS   1           HG3      LYS   1  -0.058   0.682  -4.332
    7    HD2  LYS   1           HD2      LYS   1  -0.433  -0.772  -6.896
    8    HD3  LYS   1           HD3      LYS   1  -0.350  -1.726  -5.413
    9    HE2  LYS   1           HE2      LYS   1  -2.497  -1.258  -5.077
   10    HE3  LYS   1           HE3      LYS   1  -2.037   0.425  -4.825
   11    HZ1  LYS   1           HZ1      LYS   1  -2.135  -0.055  -7.579
   12    HZ2  LYS   1           HZ2      LYS   1  -3.563  -0.660  -6.904
   13    HZ3  LYS   1           HZ3      LYS   1  -3.129   0.957  -6.657
   14    H    PHE   2           H        PHE   2   2.389   3.476  -5.554
   15    HA   PHE   2           HA       PHE   2   3.801   4.315  -3.982
   16    HB2  PHE   2           HB2      PHE   2   3.579   1.443  -3.280
   17    HB3  PHE   2           HB3      PHE   2   4.917   2.324  -2.550
   18    HD1  PHE   2           HD1      PHE   2   4.528   3.203  -0.476
   19    HD2  PHE   2           HD2      PHE   2   1.278   2.858  -3.203
   20    HE1  PHE   2           HE1      PHE   2   3.003   4.104   1.232
   21    HE2  PHE   2           HE2      PHE   2  -0.252   3.758  -1.500
   22    HZ   PHE   2           HZ       PHE   2   0.610   4.383   0.721
   23    H    LYS   3           H        LYS   3   6.175   4.009  -3.079
   24    HA   LYS   3           HA       LYS   3   8.378   4.240  -3.617
   25    HB2  LYS   3           HB2      LYS   3   7.994   1.820  -5.371
   26    HB3  LYS   3           HB3      LYS   3   9.442   2.311  -4.501
   27    HG2  LYS   3           HG2      LYS   3   6.879   1.369  -3.229
   28    HG3  LYS   3           HG3      LYS   3   8.334   0.395  -3.457
   29    HD2  LYS   3           HD2      LYS   3   8.997   1.113  -1.453
   30    HD3  LYS   3           HD3      LYS   3   9.236   2.698  -2.191
   31    HE2  LYS   3           HE2      LYS   3   7.292   3.542  -1.334
   32    HE3  LYS   3           HE3      LYS   3   6.494   1.970  -1.306
   33    HZ1  LYS   3           HZ1      LYS   3   7.265   1.518   0.741
   34    HZ2  LYS   3           HZ2      LYS   3   8.763   2.259   0.479
   35    HZ3  LYS   3           HZ3      LYS   3   7.411   3.199   0.868
   36    H    LYS   4           H        LYS   4   7.837   6.195  -4.823
   37    HA   LYS   4           HA       LYS   4   7.948   7.569  -6.636
   38    HB2  LYS   4           HB2      LYS   4   9.847   5.363  -7.400
   39    HB3  LYS   4           HB3      LYS   4   9.581   6.748  -8.451
   40    HG2  LYS   4           HG2      LYS   4  10.239   7.301  -5.617
   41    HG3  LYS   4           HG3      LYS   4  11.526   6.672  -6.649
   42    HD2  LYS   4           HD2      LYS   4  10.726   8.525  -8.300
   43    HD3  LYS   4           HD3      LYS   4  10.009   9.242  -6.856
   44    HE2  LYS   4           HE2      LYS   4  12.195  10.183  -7.186
   45    HE3  LYS   4           HE3      LYS   4  12.235   9.141  -5.765
   46    HZ1  LYS   4           HZ1      LYS   4  12.942   7.909  -8.308
   47    HZ2  LYS   4           HZ2      LYS   4  14.049   9.025  -7.681
   48    HZ3  LYS   4           HZ3      LYS   4  13.603   7.672  -6.768
   49    H    VAL   5           H        VAL   5   7.942   7.387  -9.270
   50    HA   VAL   5           HA       VAL   5   5.389   6.130  -9.839
   51    HB   VAL   5           HB       VAL   5   7.101   7.767 -11.709
   52   HG11  VAL   5          HG11      VAL   5   5.548   7.228 -13.204
   53   HG12  VAL   5          HG12      VAL   5   4.602   6.375 -11.984
   54   HG13  VAL   5          HG13      VAL   5   4.371   8.107 -12.228
   55   HG21  VAL   5          HG21      VAL   5   5.135   8.592  -9.606
   56   HG22  VAL   5          HG22      VAL   5   6.731   9.252  -9.960
   57   HG23  VAL   5          HG23      VAL   5   5.381   9.578 -11.046
   58    H    ILE   6           H        ILE   6   5.050   4.411 -11.144
   59    HA   ILE   6           HA       ILE   6   7.085   2.555 -11.605
   60    HB   ILE   6           HB       ILE   6   4.410   2.778 -12.990
   61   HG12  ILE   6          HG12      ILE   6   5.283   1.169 -10.580
   62   HG13  ILE   6          HG13      ILE   6   4.239   2.586 -10.548
   63   HG21  ILE   6          HG21      ILE   6   4.706   0.365 -13.446
   64   HG22  ILE   6          HG22      ILE   6   5.891   1.375 -14.275
   65   HG23  ILE   6          HG23      ILE   6   6.353   0.479 -12.828
   66   HD11  ILE   6          HD11      ILE   6   2.585   1.356 -11.893
   67   HD12  ILE   6          HD12      ILE   6   3.622  -0.069 -11.819
   68   HD13  ILE   6          HD13      ILE   6   2.920   0.588 -10.340
   69    H    TRP   7           H        TRP   7   6.101   5.297 -13.437
   70    HA   TRP   7           HA       TRP   7   6.795   4.642 -16.024
   71    HB2  TRP   7           HB2      TRP   7   5.794   6.772 -15.557
   72    HB3  TRP   7           HB3      TRP   7   7.146   7.245 -14.531
   73    HD1  TRP   7           HD1      TRP   7   8.342   9.151 -15.751
   74    HE1  TRP   7           HE1      TRP   7   9.203   9.554 -18.143
   75    HE3  TRP   7           HE3      TRP   7   6.538   4.922 -17.987
   76    HZ2  TRP   7           HZ2      TRP   7   9.127   8.252 -20.646
   77    HZ3  TRP   7           HZ3      TRP   7   6.975   4.577 -20.383
   78    HH2  TRP   7           HH2      TRP   7   8.243   6.209 -21.684
   79    H    LYS   8           H        LYS   8   8.883   5.447 -13.316
   80    HA   LYS   8           HA       LYS   8  11.286   5.891 -14.618
   81    HB2  LYS   8           HB2      LYS   8  12.379   5.253 -12.553
   82    HB3  LYS   8           HB3      LYS   8  10.924   6.169 -12.185
   83    HG2  LYS   8           HG2      LYS   8   9.835   3.800 -12.003
   84    HG3  LYS   8           HG3      LYS   8  11.505   3.279 -11.763
   85    HD2  LYS   8           HD2      LYS   8  10.275   5.519 -10.178
   86    HD3  LYS   8           HD3      LYS   8  10.154   3.832  -9.675
   87    HE2  LYS   8           HE2      LYS   8  12.092   4.196  -8.618
   88    HE3  LYS   8           HE3      LYS   8  12.824   4.090 -10.219
   89    HZ1  LYS   8           HZ1      LYS   8  13.356   6.116  -8.781
   90    HZ2  LYS   8           HZ2      LYS   8  12.947   6.387 -10.400
   91    HZ3  LYS   8           HZ3      LYS   8  11.805   6.660  -9.183
   92    H    SER   9           H        SER   9   9.659   2.862 -13.898
   93    HA   SER   9           HA       SER   9  11.895   1.271 -14.829
   94    HB2  SER   9           HB2      SER   9  10.294   0.597 -12.953
   95    HB3  SER   9           HB3      SER   9   9.113   0.269 -14.221
   96    HG   SER   9           HG       SER   9  11.029  -1.317 -13.362
   97    H    PHE  10           H        PHE  10   8.698   2.243 -15.956
   98    HA   PHE  10           HA       PHE  10   8.499   0.616 -18.208
   99    HB2  PHE  10           HB2      PHE  10   7.306   3.192 -17.346
  100    HB3  PHE  10           HB3      PHE  10   7.212   2.820 -19.064
  101    HD1  PHE  10           HD1      PHE  10   6.992   0.578 -16.104
  102    HD2  PHE  10           HD2      PHE  10   5.010   2.255 -19.476
  103    HE1  PHE  10           HE1      PHE  10   5.049  -0.871 -15.678
  104    HE2  PHE  10           HE2      PHE  10   3.064   0.810 -19.055
  105    HZ   PHE  10           HZ       PHE  10   3.081  -0.755 -17.154
  106    H    LEU  11           H        LEU  11  10.206   3.647 -17.724
  107    HA   LEU  11           HA       LEU  11  11.030   3.696 -20.528
  108    HB2  LEU  11           HB2      LEU  11  10.540   5.851 -20.020
  109    HB3  LEU  11           HB3      LEU  11  10.935   5.651 -18.314
  110    HG   LEU  11           HG       LEU  11  13.325   5.801 -18.862
  111   HD11  LEU  11          HD11      LEU  11  12.506   6.562 -21.650
  112   HD12  LEU  11          HD12      LEU  11  14.127   6.260 -21.024
  113   HD13  LEU  11          HD13      LEU  11  12.993   4.923 -21.219
  114   HD21  LEU  11          HD21      LEU  11  13.380   8.162 -19.309
  115   HD22  LEU  11          HD22      LEU  11  11.760   8.111 -20.003
  116   HD23  LEU  11          HD23      LEU  11  11.990   7.811 -18.281
  Start of MODEL   17
    1    H1   LYS   1           H        LYS   1   0.190   3.591   0.413
    2    HA   LYS   1           HA       LYS   1   1.586   1.307   0.613
    3    HB2  LYS   1           HB2      LYS   1  -0.807   1.950  -1.083
    4    HB3  LYS   1           HB3      LYS   1  -0.130   0.327  -1.075
    5    HG2  LYS   1           HG2      LYS   1  -1.501  -0.044   0.640
    6    HG3  LYS   1           HG3      LYS   1  -0.338   0.879   1.595
    7    HD2  LYS   1           HD2      LYS   1  -1.603   2.909   1.246
    8    HD3  LYS   1           HD3      LYS   1  -2.715   2.067   0.164
    9    HE2  LYS   1           HE2      LYS   1  -2.336   1.060   2.948
   10    HE3  LYS   1           HE3      LYS   1  -3.343   2.482   2.676
   11    HZ1  LYS   1           HZ1      LYS   1  -4.986   1.200   1.965
   12    HZ2  LYS   1           HZ2      LYS   1  -3.992   0.433   0.830
   13    HZ3  LYS   1           HZ3      LYS   1  -4.086  -0.162   2.411
   14    H    PHE   2           H        PHE   2   1.279   3.235  -2.328
   15    HA   PHE   2           HA       PHE   2   3.404   1.587  -3.534
   16    HB2  PHE   2           HB2      PHE   2   1.176   3.020  -4.997
   17    HB3  PHE   2           HB3      PHE   2   2.438   2.036  -5.731
   18    HD1  PHE   2           HD1      PHE   2   2.394  -0.381  -5.557
   19    HD2  PHE   2           HD2      PHE   2  -0.679   2.011  -3.839
   20    HE1  PHE   2           HE1      PHE   2   0.973  -2.377  -5.328
   21    HE2  PHE   2           HE2      PHE   2  -2.105   0.019  -3.607
   22    HZ   PHE   2           HZ       PHE   2  -1.279  -2.179  -4.350
   23    H    LYS   3           H        LYS   3   5.226   2.724  -3.420
   24    HA   LYS   3           HA       LYS   3   5.135   5.572  -4.174
   25    HB2  LYS   3           HB2      LYS   3   7.129   5.868  -2.685
   26    HB3  LYS   3           HB3      LYS   3   5.641   5.472  -1.836
   27    HG2  LYS   3           HG2      LYS   3   6.731   3.833  -0.826
   28    HG3  LYS   3           HG3      LYS   3   6.855   3.017  -2.387
   29    HD2  LYS   3           HD2      LYS   3   8.884   4.764  -2.621
   30    HD3  LYS   3           HD3      LYS   3   8.882   4.542  -0.870
   31    HE2  LYS   3           HE2      LYS   3   8.638   2.060  -2.409
   32    HE3  LYS   3           HE3      LYS   3  10.155   2.922  -2.659
   33    HZ1  LYS   3           HZ1      LYS   3  10.609   2.857  -0.341
   34    HZ2  LYS   3           HZ2      LYS   3   9.072   2.249   0.019
   35    HZ3  LYS   3           HZ3      LYS   3  10.190   1.286  -0.809
   36    H    LYS   4           H        LYS   4   5.457   3.508  -6.040
   37    HA   LYS   4           HA       LYS   4   8.265   3.913  -6.836
   38    HB2  LYS   4           HB2      LYS   4   8.168   1.699  -7.951
   39    HB3  LYS   4           HB3      LYS   4   7.994   1.595  -6.204
   40    HG2  LYS   4           HG2      LYS   4   5.398   1.773  -7.001
   41    HG3  LYS   4           HG3      LYS   4   6.124   0.869  -8.332
   42    HD2  LYS   4           HD2      LYS   4   7.106  -0.686  -6.650
   43    HD3  LYS   4           HD3      LYS   4   6.203   0.170  -5.398
   44    HE2  LYS   4           HE2      LYS   4   4.825  -1.630  -5.898
   45    HE3  LYS   4           HE3      LYS   4   4.140  -0.327  -6.868
   46    HZ1  LYS   4           HZ1      LYS   4   4.306  -1.790  -8.530
   47    HZ2  LYS   4           HZ2      LYS   4   5.953  -1.401  -8.543
   48    HZ3  LYS   4           HZ3      LYS   4   5.414  -2.772  -7.711
   49    H    VAL   5           H        VAL   5   8.650   4.480  -8.936
   50    HA   VAL   5           HA       VAL   5   6.280   5.160 -10.530
   51    HB   VAL   5           HB       VAL   5   9.116   6.132 -10.896
   52   HG11  VAL   5          HG11      VAL   5   6.624   6.469 -12.394
   53   HG12  VAL   5          HG12      VAL   5   7.458   7.979 -12.025
   54   HG13  VAL   5          HG13      VAL   5   8.296   6.700 -12.904
   55   HG21  VAL   5          HG21      VAL   5   6.817   7.216  -9.316
   56   HG22  VAL   5          HG22      VAL   5   8.515   7.070  -8.862
   57   HG23  VAL   5          HG23      VAL   5   8.014   8.306 -10.015
   58    H    ILE   6           H        ILE   6   6.000   4.437 -12.598
   59    HA   ILE   6           HA       ILE   6   7.692   2.194 -13.406
   60    HB   ILE   6           HB       ILE   6   5.019   3.106 -14.477
   61   HG12  ILE   6          HG12      ILE   6   5.772   0.747 -12.737
   62   HG13  ILE   6          HG13      ILE   6   4.907   2.183 -12.203
   63   HG21  ILE   6          HG21      ILE   6   6.277   2.029 -16.226
   64   HG22  ILE   6          HG22      ILE   6   6.690   0.690 -15.155
   65   HG23  ILE   6          HG23      ILE   6   5.018   0.931 -15.661
   66   HD11  ILE   6          HD11      ILE   6   3.939   0.119 -14.162
   67   HD12  ILE   6          HD12      ILE   6   3.354   0.390 -12.521
   68   HD13  ILE   6          HD13      ILE   6   3.083   1.609 -13.766
   69    H    TRP   7           H        TRP   7   6.988   5.455 -14.243
   70    HA   TRP   7           HA       TRP   7   7.541   5.541 -16.954
   71    HB2  TRP   7           HB2      TRP   7   6.740   7.506 -15.831
   72    HB3  TRP   7           HB3      TRP   7   8.155   7.549 -14.782
   73    HD1  TRP   7           HD1      TRP   7   9.487   9.630 -15.450
   74    HE1  TRP   7           HE1      TRP   7  10.316  10.656 -17.660
   75    HE3  TRP   7           HE3      TRP   7   7.249   6.410 -18.731
   76    HZ2  TRP   7           HZ2      TRP   7  10.055  10.166 -20.428
   77    HZ3  TRP   7           HZ3      TRP   7   7.588   6.759 -21.142
   78    HH2  TRP   7           HH2      TRP   7   8.962   8.599 -21.971
   79    H    LYS   8           H        LYS   8   9.746   5.336 -14.228
   80    HA   LYS   8           HA       LYS   8  12.131   5.862 -15.655
   81    HB2  LYS   8           HB2      LYS   8  13.248   4.755 -13.713
   82    HB3  LYS   8           HB3      LYS   8  12.131   6.036 -13.260
   83    HG2  LYS   8           HG2      LYS   8  11.621   4.395 -11.735
   84    HG3  LYS   8           HG3      LYS   8  10.423   4.098 -12.997
   85    HD2  LYS   8           HD2      LYS   8  11.254   2.071 -13.435
   86    HD3  LYS   8           HD3      LYS   8  12.911   2.680 -13.485
   87    HE2  LYS   8           HE2      LYS   8  12.487   0.971 -11.713
   88    HE3  LYS   8           HE3      LYS   8  13.123   2.501 -11.114
   89    HZ1  LYS   8           HZ1      LYS   8  10.276   2.499 -11.159
   90    HZ2  LYS   8           HZ2      LYS   8  10.870   1.212 -10.235
   91    HZ3  LYS   8           HZ3      LYS   8  11.328   2.798  -9.868
   92    H    SER   9           H        SER   9  10.160   3.026 -15.279
   93    HA   SER   9           HA       SER   9  12.179   1.195 -16.213
   94    HB2  SER   9           HB2      SER   9  10.495   0.355 -14.691
   95    HB3  SER   9           HB3      SER   9   9.202   0.865 -15.776
   96    HG   SER   9           HG       SER   9  11.171  -1.106 -16.325
   97    H    PHE  10           H        PHE  10   9.449   2.937 -17.576
   98    HA   PHE  10           HA       PHE  10   9.557   1.606 -20.112
   99    HB2  PHE  10           HB2      PHE  10   8.060   3.939 -18.990
  100    HB3  PHE  10           HB3      PHE  10   8.127   3.732 -20.737
  101    HD1  PHE  10           HD1      PHE  10   7.712   1.393 -17.857
  102    HD2  PHE  10           HD2      PHE  10   6.175   2.854 -21.548
  103    HE1  PHE  10           HE1      PHE  10   5.869  -0.232 -17.729
  104    HE2  PHE  10           HE2      PHE  10   4.329   1.232 -21.425
  105    HZ   PHE  10           HZ       PHE  10   4.174  -0.313 -19.513
  106    H    LEU  11           H        LEU  11  10.845   4.587 -18.764
  107    HA   LEU  11           HA       LEU  11  11.659   5.907 -21.046
  108    HB2  LEU  11           HB2      LEU  11  12.008   6.239 -18.345
  109    HB3  LEU  11           HB3      LEU  11  13.653   5.959 -18.911
  110    HG   LEU  11           HG       LEU  11  11.782   8.155 -19.790
  111   HD11  LEU  11          HD11      LEU  11  14.229   8.035 -18.066
  112   HD12  LEU  11          HD12      LEU  11  13.771   9.519 -18.902
  113   HD13  LEU  11          HD13      LEU  11  12.669   8.788 -17.735
  114   HD21  LEU  11          HD21      LEU  11  14.266   8.724 -20.806
  115   HD22  LEU  11          HD22      LEU  11  14.124   6.987 -21.077
  116   HD23  LEU  11          HD23      LEU  11  12.902   8.083 -21.722
  Start of MODEL   18
    1    H1   LYS   1           H        LYS   1   4.562  -0.514  -4.929
    2    HA   LYS   1           HA       LYS   1   3.564  -0.675  -2.297
    3    HB2  LYS   1           HB2      LYS   1   6.578  -0.537  -2.502
    4    HB3  LYS   1           HB3      LYS   1   5.635  -0.391  -1.025
    5    HG2  LYS   1           HG2      LYS   1   4.751  -2.773  -1.909
    6    HG3  LYS   1           HG3      LYS   1   6.390  -2.782  -2.565
    7    HD2  LYS   1           HD2      LYS   1   7.008  -1.977  -0.134
    8    HD3  LYS   1           HD3      LYS   1   5.472  -2.746   0.271
    9    HE2  LYS   1           HE2      LYS   1   7.405  -4.244  -1.423
   10    HE3  LYS   1           HE3      LYS   1   7.750  -4.088   0.298
   11    HZ1  LYS   1           HZ1      LYS   1   5.064  -4.798   0.018
   12    HZ2  LYS   1           HZ2      LYS   1   5.964  -5.840  -0.965
   13    HZ3  LYS   1           HZ3      LYS   1   6.321  -5.714   0.684
   14    H    PHE   2           H        PHE   2   2.726   1.280  -2.061
   15    HA   PHE   2           HA       PHE   2   2.430   3.534  -2.110
   16    HB2  PHE   2           HB2      PHE   2   5.311   3.161  -1.706
   17    HB3  PHE   2           HB3      PHE   2   4.895   4.715  -2.423
   18    HD1  PHE   2           HD1      PHE   2   4.262   6.465  -1.060
   19    HD2  PHE   2           HD2      PHE   2   3.962   2.479   0.402
   20    HE1  PHE   2           HE1      PHE   2   3.655   7.329   1.163
   21    HE2  PHE   2           HE2      PHE   2   3.354   3.337   2.627
   22    HZ   PHE   2           HZ       PHE   2   3.199   5.765   3.009
   23    H    LYS   3           H        LYS   3   3.025   5.581  -3.465
   24    HA   LYS   3           HA       LYS   3   2.586   4.865  -6.219
   25    HB2  LYS   3           HB2      LYS   3   2.858   7.559  -4.875
   26    HB3  LYS   3           HB3      LYS   3   2.421   7.326  -6.562
   27    HG2  LYS   3           HG2      LYS   3   0.326   6.542  -6.056
   28    HG3  LYS   3           HG3      LYS   3   0.805   5.982  -4.452
   29    HD2  LYS   3           HD2      LYS   3   1.170   8.813  -4.607
   30    HD3  LYS   3           HD3      LYS   3  -0.461   8.409  -5.147
   31    HE2  LYS   3           HE2      LYS   3   0.595   7.127  -2.673
   32    HE3  LYS   3           HE3      LYS   3   0.077   8.811  -2.601
   33    HZ1  LYS   3           HZ1      LYS   3  -2.093   8.253  -3.083
   34    HZ2  LYS   3           HZ2      LYS   3  -1.685   6.774  -3.794
   35    HZ3  LYS   3           HZ3      LYS   3  -1.617   6.951  -2.113
   36    H    LYS   4           H        LYS   4   4.800   3.771  -6.199
   37    HA   LYS   4           HA       LYS   4   7.183   5.241  -6.199
   38    HB2  LYS   4           HB2      LYS   4   6.404   2.654  -7.535
   39    HB3  LYS   4           HB3      LYS   4   8.031   3.312  -7.647
   40    HG2  LYS   4           HG2      LYS   4   6.757   2.910  -4.975
   41    HG3  LYS   4           HG3      LYS   4   7.485   1.551  -5.834
   42    HD2  LYS   4           HD2      LYS   4   8.977   4.120  -5.390
   43    HD3  LYS   4           HD3      LYS   4   8.952   2.841  -4.174
   44    HE2  LYS   4           HE2      LYS   4   9.896   2.564  -7.027
   45    HE3  LYS   4           HE3      LYS   4  10.928   2.674  -5.601
   46    HZ1  LYS   4           HZ1      LYS   4   9.590   0.405  -6.688
   47    HZ2  LYS   4           HZ2      LYS   4  10.814   0.473  -5.522
   48    HZ3  LYS   4           HZ3      LYS   4   9.194   0.625  -5.058
   49    H    VAL   5           H        VAL   5   8.601   5.209  -8.329
   50    HA   VAL   5           HA       VAL   5   7.300   7.044 -10.132
   51    HB   VAL   5           HB       VAL   5  10.094   5.906 -10.292
   52   HG11  VAL   5          HG11      VAL   5   9.950   6.866 -12.326
   53   HG12  VAL   5          HG12      VAL   5   8.575   7.872 -11.871
   54   HG13  VAL   5          HG13      VAL   5  10.210   8.357 -11.421
   55   HG21  VAL   5          HG21      VAL   5  10.525   8.357  -9.389
   56   HG22  VAL   5          HG22      VAL   5   8.920   8.121  -8.697
   57   HG23  VAL   5          HG23      VAL   5  10.226   7.006  -8.295
   58    H    ILE   6           H        ILE   6   6.799   6.733 -12.265
   59    HA   ILE   6           HA       ILE   6   6.617   3.948 -13.129
   60    HB   ILE   6           HB       ILE   6   5.367   6.438 -14.295
   61   HG12  ILE   6          HG12      ILE   6   4.172   4.172 -12.683
   62   HG13  ILE   6          HG13      ILE   6   4.453   5.810 -12.102
   63   HG21  ILE   6          HG21      ILE   6   5.031   3.537 -15.038
   64   HG22  ILE   6          HG22      ILE   6   4.014   4.851 -15.628
   65   HG23  ILE   6          HG23      ILE   6   5.729   4.813 -16.035
   66   HD11  ILE   6          HD11      ILE   6   2.868   6.644 -13.789
   67   HD12  ILE   6          HD12      ILE   6   2.546   4.979 -14.274
   68   HD13  ILE   6          HD13      ILE   6   2.131   5.520 -12.648
   69    H    TRP   7           H        TRP   7   8.371   6.834 -13.775
   70    HA   TRP   7           HA       TRP   7   9.086   6.551 -16.435
   71    HB2  TRP   7           HB2      TRP   7   9.714   8.530 -15.228
   72    HB3  TRP   7           HB3      TRP   7  10.686   7.596 -14.094
   73    HD1  TRP   7           HD1      TRP   7  13.125   8.236 -14.532
   74    HE1  TRP   7           HE1      TRP   7  14.627   8.456 -16.610
   75    HE3  TRP   7           HE3      TRP   7   9.618   7.410 -18.160
   76    HZ2  TRP   7           HZ2      TRP   7  14.361   8.301 -19.416
   77    HZ3  TRP   7           HZ3      TRP   7  10.325   7.464 -20.517
   78    HH2  TRP   7           HH2      TRP   7  12.647   7.900 -21.130
   79    H    LYS   8           H        LYS   8  10.316   4.885 -13.599
   80    HA   LYS   8           HA       LYS   8  12.560   3.680 -14.821
   81    HB2  LYS   8           HB2      LYS   8  12.430   2.071 -12.912
   82    HB3  LYS   8           HB3      LYS   8  12.429   3.761 -12.426
   83    HG2  LYS   8           HG2      LYS   8  10.793   2.872 -11.079
   84    HG3  LYS   8           HG3      LYS   8   9.848   3.494 -12.434
   85    HD2  LYS   8           HD2      LYS   8   9.136   1.451 -12.994
   86    HD3  LYS   8           HD3      LYS   8  10.761   0.772 -12.879
   87    HE2  LYS   8           HE2      LYS   8   9.101  -0.221 -11.295
   88    HE3  LYS   8           HE3      LYS   8  10.540   0.449 -10.526
   89    HZ1  LYS   8           HZ1      LYS   8   9.312   2.395  -9.908
   90    HZ2  LYS   8           HZ2      LYS   8   7.944   1.872 -10.755
   91    HZ3  LYS   8           HZ3      LYS   8   8.458   1.034  -9.378
   92    H    SER   9           H        SER   9   9.172   2.918 -14.820
   93    HA   SER   9           HA       SER   9   9.506   0.216 -15.748
   94    HB2  SER   9           HB2      SER   9   7.330   1.876 -14.842
   95    HB3  SER   9           HB3      SER   9   6.896   1.092 -16.361
   96    HG   SER   9           HG       SER   9   7.681  -0.101 -13.922
   97    H    PHE  10           H        PHE  10   8.889   3.361 -17.189
   98    HA   PHE  10           HA       PHE  10   8.407   2.308 -19.818
   99    HB2  PHE  10           HB2      PHE  10   8.694   5.044 -18.638
  100    HB3  PHE  10           HB3      PHE  10   8.817   4.847 -20.383
  101    HD1  PHE  10           HD1      PHE  10   6.619   3.361 -17.756
  102    HD2  PHE  10           HD2      PHE  10   6.887   5.501 -21.426
  103    HE1  PHE  10           HE1      PHE  10   4.164   3.373 -17.925
  104    HE2  PHE  10           HE2      PHE  10   4.433   5.518 -21.600
  105    HZ   PHE  10           HZ       PHE  10   3.068   4.454 -19.847
  106    H    LEU  11           H        LEU  11  11.144   3.658 -18.075
  107    HA   LEU  11           HA       LEU  11  12.918   4.117 -20.143
  108    HB2  LEU  11           HB2      LEU  11  13.035   4.151 -17.406
  109    HB3  LEU  11           HB3      LEU  11  14.139   2.839 -17.814
  110    HG   LEU  11           HG       LEU  11  14.333   5.718 -18.688
  111   HD11  LEU  11          HD11      LEU  11  16.496   4.278 -17.266
  112   HD12  LEU  11          HD12      LEU  11  16.005   5.970 -17.175
  113   HD13  LEU  11          HD13      LEU  11  15.072   4.734 -16.330
  114   HD21  LEU  11          HD21      LEU  11  16.607   4.772 -19.565
  115   HD22  LEU  11          HD22      LEU  11  15.717   3.252 -19.640
  116   HD23  LEU  11          HD23      LEU  11  15.151   4.650 -20.553
  Start of MODEL   19
    1    H1   LYS   1           H        LYS   1   3.760   3.476   0.659
    2    HA   LYS   1           HA       LYS   1   1.555   2.826  -0.748
    3    HB2  LYS   1           HB2      LYS   1   2.691   5.478   0.033
    4    HB3  LYS   1           HB3      LYS   1   1.253   5.438  -0.978
    5    HG2  LYS   1           HG2      LYS   1   0.195   3.967   0.758
    6    HG3  LYS   1           HG3      LYS   1   1.589   4.307   1.787
    7    HD2  LYS   1           HD2      LYS   1   0.947   6.811   1.139
    8    HD3  LYS   1           HD3      LYS   1  -0.647   6.074   0.960
    9    HE2  LYS   1           HE2      LYS   1   0.973   5.524   3.408
   10    HE3  LYS   1           HE3      LYS   1   0.108   7.053   3.263
   11    HZ1  LYS   1           HZ1      LYS   1  -1.213   4.427   2.893
   12    HZ2  LYS   1           HZ2      LYS   1  -1.121   5.200   4.396
   13    HZ3  LYS   1           HZ3      LYS   1  -1.945   5.937   3.114
   14    H    PHE   2           H        PHE   2   0.595   3.539  -2.744
   15    HA   PHE   2           HA       PHE   2   0.568   3.750  -5.008
   16    HB2  PHE   2           HB2      PHE   2   2.644   5.674  -4.120
   17    HB3  PHE   2           HB3      PHE   2   2.626   5.275  -5.835
   18    HD1  PHE   2           HD1      PHE   2   1.260   6.475  -7.244
   19    HD2  PHE   2           HD2      PHE   2   0.321   6.309  -3.095
   20    HE1  PHE   2           HE1      PHE   2  -0.574   8.077  -7.598
   21    HE2  PHE   2           HE2      PHE   2  -1.514   7.910  -3.443
   22    HZ   PHE   2           HZ       PHE   2  -1.965   8.795  -5.696
   23    H    LYS   3           H        LYS   3   2.107   3.565  -7.047
   24    HA   LYS   3           HA       LYS   3   4.225   1.606  -6.559
   25    HB2  LYS   3           HB2      LYS   3   3.311   0.188  -8.421
   26    HB3  LYS   3           HB3      LYS   3   2.343   0.190  -6.952
   27    HG2  LYS   3           HG2      LYS   3   1.590   2.213  -8.944
   28    HG3  LYS   3           HG3      LYS   3   1.349   0.536  -9.438
   29    HD2  LYS   3           HD2      LYS   3  -0.314   0.202  -7.946
   30    HD3  LYS   3           HD3      LYS   3   0.454   1.200  -6.710
   31    HE2  LYS   3           HE2      LYS   3  -1.428   2.435  -7.259
   32    HE3  LYS   3           HE3      LYS   3  -0.180   3.175  -8.259
   33    HZ1  LYS   3           HZ1      LYS   3  -2.437   2.560  -9.307
   34    HZ2  LYS   3           HZ2      LYS   3  -1.018   2.221 -10.165
   35    HZ3  LYS   3           HZ3      LYS   3  -1.823   0.984  -9.339
   36    H    LYS   4           H        LYS   4   5.231   3.803  -7.119
   37    HA   LYS   4           HA       LYS   4   5.518   4.003 -10.046
   38    HB2  LYS   4           HB2      LYS   4   6.177   6.384  -9.641
   39    HB3  LYS   4           HB3      LYS   4   4.504   6.020  -9.241
   40    HG2  LYS   4           HG2      LYS   4   5.122   5.862  -6.870
   41    HG3  LYS   4           HG3      LYS   4   6.784   6.283  -7.290
   42    HD2  LYS   4           HD2      LYS   4   4.708   8.118  -8.297
   43    HD3  LYS   4           HD3      LYS   4   4.909   8.081  -6.544
   44    HE2  LYS   4           HE2      LYS   4   7.220   8.403  -8.443
   45    HE3  LYS   4           HE3      LYS   4   6.308   9.774  -7.816
   46    HZ1  LYS   4           HZ1      LYS   4   7.579   9.710  -6.023
   47    HZ2  LYS   4           HZ2      LYS   4   6.974   8.176  -5.644
   48    HZ3  LYS   4           HZ3      LYS   4   8.379   8.325  -6.575
   49    H    VAL   5           H        VAL   5   7.072   2.146  -9.211
   50    HA   VAL   5           HA       VAL   5   9.594   3.134  -8.187
   51    HB   VAL   5           HB       VAL   5   8.989   0.369  -9.234
   52   HG11  VAL   5          HG11      VAL   5  11.326   1.650  -8.124
   53   HG12  VAL   5          HG12      VAL   5  10.831   0.265  -7.150
   54   HG13  VAL   5          HG13      VAL   5  11.162   0.060  -8.870
   55   HG21  VAL   5          HG21      VAL   5   7.384   0.848  -7.511
   56   HG22  VAL   5          HG22      VAL   5   8.615  -0.227  -6.848
   57   HG23  VAL   5          HG23      VAL   5   8.643   1.493  -6.457
   58    H    ILE   6           H        ILE   6  11.041   4.064  -9.461
   59    HA   ILE   6           HA       ILE   6  12.400   4.509 -11.233
   60    HB   ILE   6           HB       ILE   6  11.483   1.906 -12.446
   61   HG12  ILE   6          HG12      ILE   6  13.667   2.398 -10.411
   62   HG13  ILE   6          HG13      ILE   6  12.196   1.464 -10.160
   63   HG21  ILE   6          HG21      ILE   6  13.387   1.988 -13.759
   64   HG22  ILE   6          HG22      ILE   6  12.891   3.680 -13.706
   65   HG23  ILE   6          HG23      ILE   6  14.208   3.114 -12.678
   66   HD11  ILE   6          HD11      ILE   6  12.947  -0.172 -11.794
   67   HD12  ILE   6          HD12      ILE   6  14.412   0.770 -12.073
   68   HD13  ILE   6          HD13      ILE   6  14.127   0.027 -10.498
   69    H    TRP   7           H        TRP   7  11.947   6.013 -12.688
   70    HA   TRP   7           HA       TRP   7   9.338   6.128 -13.914
   71    HB2  TRP   7           HB2      TRP   7  10.232   8.210 -13.164
   72    HB3  TRP   7           HB3      TRP   7  11.748   7.942 -14.019
   73    HD1  TRP   7           HD1      TRP   7  11.835   9.738 -15.846
   74    HE1  TRP   7           HE1      TRP   7  10.236  10.572 -17.682
   75    HE3  TRP   7           HE3      TRP   7   7.692   7.007 -14.616
   76    HZ2  TRP   7           HZ2      TRP   7   7.571  10.132 -18.501
   77    HZ3  TRP   7           HZ3      TRP   7   5.659   7.272 -15.976
   78    HH2  TRP   7           HH2      TRP   7   5.601   8.803 -17.877
   79    H    LYS   8           H        LYS   8  12.691   5.984 -15.110
   80    HA   LYS   8           HA       LYS   8  12.169   5.838 -17.823
   81    HB2  LYS   8           HB2      LYS   8  14.363   4.992 -18.094
   82    HB3  LYS   8           HB3      LYS   8  14.423   6.023 -16.670
   83    HG2  LYS   8           HG2      LYS   8  13.919   3.704 -15.464
   84    HG3  LYS   8           HG3      LYS   8  14.727   3.090 -16.909
   85    HD2  LYS   8           HD2      LYS   8  15.895   5.299 -15.235
   86    HD3  LYS   8           HD3      LYS   8  16.190   3.595 -14.881
   87    HE2  LYS   8           HE2      LYS   8  17.914   3.776 -16.293
   88    HE3  LYS   8           HE3      LYS   8  16.701   3.743 -17.571
   89    HZ1  LYS   8           HZ1      LYS   8  18.459   5.818 -16.898
   90    HZ2  LYS   8           HZ2      LYS   8  17.316   5.774 -18.145
   91    HZ3  LYS   8           HZ3      LYS   8  16.882   6.363 -16.619
   92    H    SER   9           H        SER   9  11.942   3.346 -15.375
   93    HA   SER   9           HA       SER   9  11.782   1.118 -17.102
   94    HB2  SER   9           HB2      SER   9  12.241   0.717 -14.791
   95    HB3  SER   9           HB3      SER   9  10.783   1.571 -14.287
   96    HG   SER   9           HG       SER   9  10.209  -0.522 -14.209
   97    H    PHE  10           H        PHE  10   9.382   3.372 -15.874
   98    HA   PHE  10           HA       PHE  10   7.178   1.887 -17.020
   99    HB2  PHE  10           HB2      PHE  10   7.428   4.428 -15.446
  100    HB3  PHE  10           HB3      PHE  10   5.933   4.069 -16.303
  101    HD1  PHE  10           HD1      PHE  10   8.336   2.180 -14.156
  102    HD2  PHE  10           HD2      PHE  10   4.286   3.189 -14.987
  103    HE1  PHE  10           HE1      PHE  10   7.603   0.772 -12.276
  104    HE2  PHE  10           HE2      PHE  10   3.546   1.784 -13.108
  105    HZ   PHE  10           HZ       PHE  10   5.206   0.573 -11.749
  106    H    LEU  11           H        LEU  11   9.074   4.755 -17.746
  107    HA   LEU  11           HA       LEU  11   7.548   5.936 -19.717
  108    HB2  LEU  11           HB2      LEU  11  10.045   6.323 -18.694
  109    HB3  LEU  11           HB3      LEU  11  10.410   5.805 -20.338
  110    HG   LEU  11           HG       LEU  11   8.598   8.115 -19.650
  111   HD11  LEU  11          HD11      LEU  11  11.486   8.139 -20.514
  112   HD12  LEU  11          HD12      LEU  11  10.452   9.553 -20.311
  113   HD13  LEU  11          HD13      LEU  11  10.881   8.566 -18.913
  114   HD21  LEU  11          HD21      LEU  11   9.872   8.050 -22.261
  115   HD22  LEU  11          HD22      LEU  11   8.820   6.662 -21.984
  116   HD23  LEU  11          HD23      LEU  11   8.179   8.297 -21.832
  Start of MODEL   20
    1    H1   LYS   1           H        LYS   1   1.491  -2.284  -4.141
    2    HA   LYS   1           HA       LYS   1   0.764  -0.188  -2.731
    3    HB2  LYS   1           HB2      LYS   1   2.687  -1.398  -1.135
    4    HB3  LYS   1           HB3      LYS   1   3.538  -0.038  -1.855
    5    HG2  LYS   1           HG2      LYS   1   2.324   1.498  -0.728
    6    HG3  LYS   1           HG3      LYS   1   0.855   0.520  -0.756
    7    HD2  LYS   1           HD2      LYS   1   1.300   0.197   1.425
    8    HD3  LYS   1           HD3      LYS   1   2.467  -0.988   0.831
    9    HE2  LYS   1           HE2      LYS   1   4.237   0.288   1.393
   10    HE3  LYS   1           HE3      LYS   1   3.437   1.786   0.922
   11    HZ1  LYS   1           HZ1      LYS   1   3.953   1.242   3.421
   12    HZ2  LYS   1           HZ2      LYS   1   2.543   2.067   2.980
   13    HZ3  LYS   1           HZ3      LYS   1   2.482   0.411   3.323
   14    H    PHE   2           H        PHE   2   1.684   1.885  -3.370
   15    HA   PHE   2           HA       PHE   2   2.791   1.738  -6.030
   16    HB2  PHE   2           HB2      PHE   2   1.488   3.790  -4.357
   17    HB3  PHE   2           HB3      PHE   2   2.707   4.400  -5.471
   18    HD1  PHE   2           HD1      PHE   2   1.917   5.139  -7.483
   19    HD2  PHE   2           HD2      PHE   2  -0.085   1.920  -5.547
   20    HE1  PHE   2           HE1      PHE   2   0.281   5.056  -9.319
   21    HE2  PHE   2           HE2      PHE   2  -1.723   1.831  -7.380
   22    HZ   PHE   2           HZ       PHE   2  -1.542   3.400  -9.270
   23    H    LYS   3           H        LYS   3   4.729   2.682  -6.729
   24    HA   LYS   3           HA       LYS   3   6.690   3.226  -4.597
   25    HB2  LYS   3           HB2      LYS   3   8.396   2.277  -6.225
   26    HB3  LYS   3           HB3      LYS   3   7.306   1.119  -5.476
   27    HG2  LYS   3           HG2      LYS   3   6.403   2.220  -8.049
   28    HG3  LYS   3           HG3      LYS   3   7.847   1.205  -8.112
   29    HD2  LYS   3           HD2      LYS   3   6.723  -0.671  -7.400
   30    HD3  LYS   3           HD3      LYS   3   5.489   0.262  -6.549
   31    HE2  LYS   3           HE2      LYS   3   4.203   0.488  -8.395
   32    HE3  LYS   3           HE3      LYS   3   5.590   0.625  -9.474
   33    HZ1  LYS   3           HZ1      LYS   3   5.556  -1.551  -9.906
   34    HZ2  LYS   3           HZ2      LYS   3   5.286  -1.983  -8.293
   35    HZ3  LYS   3           HZ3      LYS   3   3.985  -1.534  -9.277
   36    H    LYS   4           H        LYS   4   5.406   5.365  -5.429
   37    HA   LYS   4           HA       LYS   4   5.584   7.415  -6.405
   38    HB2  LYS   4           HB2      LYS   4   8.457   6.532  -6.269
   39    HB3  LYS   4           HB3      LYS   4   8.012   8.108  -6.912
   40    HG2  LYS   4           HG2      LYS   4   6.914   7.365  -4.265
   41    HG3  LYS   4           HG3      LYS   4   8.639   7.728  -4.362
   42    HD2  LYS   4           HD2      LYS   4   7.735   9.804  -5.747
   43    HD3  LYS   4           HD3      LYS   4   6.290   9.501  -4.780
   44    HE2  LYS   4           HE2      LYS   4   7.685  11.107  -3.648
   45    HE3  LYS   4           HE3      LYS   4   7.683   9.596  -2.740
   46    HZ1  LYS   4           HZ1      LYS   4   9.888  10.976  -3.532
   47    HZ2  LYS   4           HZ2      LYS   4   9.864   9.364  -3.016
   48    HZ3  LYS   4           HZ3      LYS   4   9.797   9.725  -4.668
   49    H    VAL   5           H        VAL   5   6.866   8.556  -8.412
   50    HA   VAL   5           HA       VAL   5   6.126   6.903 -10.719
   51    HB   VAL   5           HB       VAL   5   6.595   9.884 -10.562
   52   HG11  VAL   5          HG11      VAL   5   5.589   8.152 -12.817
   53   HG12  VAL   5          HG12      VAL   5   5.573   9.915 -12.812
   54   HG13  VAL   5          HG13      VAL   5   7.108   9.047 -12.770
   55   HG21  VAL   5          HG21      VAL   5   4.035   9.769 -11.107
   56   HG22  VAL   5          HG22      VAL   5   4.157   8.179 -10.353
   57   HG23  VAL   5          HG23      VAL   5   4.603   9.622  -9.443
   58    H    ILE   6           H        ILE   6   7.620   6.102 -12.040
   59    HA   ILE   6           HA       ILE   6  10.194   7.443 -12.327
   60    HB   ILE   6           HB       ILE   6  10.512   4.544 -12.085
   61   HG12  ILE   6          HG12      ILE   6   9.724   6.192  -9.676
   62   HG13  ILE   6          HG13      ILE   6   8.892   4.775 -10.307
   63   HG21  ILE   6          HG21      ILE   6  12.195   6.583 -12.223
   64   HG22  ILE   6          HG22      ILE   6  12.027   6.519 -10.468
   65   HG23  ILE   6          HG23      ILE   6  12.596   5.103 -11.351
   66   HD11  ILE   6          HD11      ILE   6  10.839   3.401  -9.736
   67   HD12  ILE   6          HD12      ILE   6  11.632   4.827  -9.065
   68   HD13  ILE   6          HD13      ILE   6  10.153   4.211  -8.328
   69    H    TRP   7           H        TRP   7  10.060   7.843 -14.457
   70    HA   TRP   7           HA       TRP   7   8.757   6.314 -16.381
   71    HB2  TRP   7           HB2      TRP   7   9.374   8.574 -16.887
   72    HB3  TRP   7           HB3      TRP   7  11.082   8.226 -16.632
   73    HD1  TRP   7           HD1      TRP   7  12.198   8.442 -18.927
   74    HE1  TRP   7           HE1      TRP   7  11.730   7.546 -21.294
   75    HE3  TRP   7           HE3      TRP   7   7.696   6.179 -18.062
   76    HZ2  TRP   7           HZ2      TRP   7   9.718   6.074 -22.619
   77    HZ3  TRP   7           HZ3      TRP   7   6.566   5.049 -19.932
   78    HH2  TRP   7           HH2      TRP   7   7.557   4.999 -22.163
   79    H    LYS   8           H        LYS   8  12.023   6.072 -15.118
   80    HA   LYS   8           HA       LYS   8  13.194   4.422 -17.012
   81    HB2  LYS   8           HB2      LYS   8  13.589   4.312 -14.016
   82    HB3  LYS   8           HB3      LYS   8  14.696   3.680 -15.227
   83    HG2  LYS   8           HG2      LYS   8  15.740   5.634 -15.101
   84    HG3  LYS   8           HG3      LYS   8  14.365   6.313 -15.977
   85    HD2  LYS   8           HD2      LYS   8  13.306   6.984 -13.953
   86    HD3  LYS   8           HD3      LYS   8  14.457   6.071 -12.975
   87    HE2  LYS   8           HE2      LYS   8  15.965   7.724 -13.018
   88    HE3  LYS   8           HE3      LYS   8  15.731   8.009 -14.742
   89    HZ1  LYS   8           HZ1      LYS   8  15.087   9.841 -13.078
   90    HZ2  LYS   8           HZ2      LYS   8  14.028   9.497 -14.352
   91    HZ3  LYS   8           HZ3      LYS   8  13.704   8.906 -12.800
   92    H    SER   9           H        SER   9  11.134   3.566 -14.266
   93    HA   SER   9           HA       SER   9  11.328   0.743 -14.765
   94    HB2  SER   9           HB2      SER   9   9.497   2.358 -12.978
   95    HB3  SER   9           HB3      SER   9   9.510   0.595 -13.040
   96    HG   SER   9           HG       SER   9  11.095   2.201 -11.642
   97    H    PHE  10           H        PHE  10   9.082   3.321 -15.555
   98    HA   PHE  10           HA       PHE  10   6.893   1.828 -16.397
   99    HB2  PHE  10           HB2      PHE  10   7.937   4.544 -16.948
  100    HB3  PHE  10           HB3      PHE  10   6.786   3.906 -18.117
  101    HD1  PHE  10           HD1      PHE  10   7.126   3.924 -14.397
  102    HD2  PHE  10           HD2      PHE  10   4.633   4.591 -17.782
  103    HE1  PHE  10           HE1      PHE  10   5.272   4.547 -12.904
  104    HE2  PHE  10           HE2      PHE  10   2.776   5.217 -16.295
  105    HZ   PHE  10           HZ       PHE  10   3.093   5.196 -13.853
  106    H    LEU  11           H        LEU  11   9.959   2.385 -17.935
  107    HA   LEU  11           HA       LEU  11   9.443   1.899 -20.587
  108    HB2  LEU  11           HB2      LEU  11  11.726   1.656 -18.810
  109    HB3  LEU  11           HB3      LEU  11  11.771   0.476 -20.118
  110    HG   LEU  11           HG       LEU  11  13.003   2.648 -20.514
  111   HD11  LEU  11          HD11      LEU  11  12.229   1.032 -22.278
  112   HD12  LEU  11          HD12      LEU  11  10.829   2.078 -22.514
  113   HD13  LEU  11          HD13      LEU  11  12.452   2.696 -22.817
  114   HD21  LEU  11          HD21      LEU  11  11.760   4.601 -21.094
  115   HD22  LEU  11          HD22      LEU  11  10.227   3.745 -20.927
  116   HD23  LEU  11          HD23      LEU  11  11.214   4.073 -19.502