*HEADER    ANTIMICROBIAL PROTEIN                   21-MAR-18   6CT1              
*TITLE     TFE-INDUCED NMR STRUCTURE OF A NOVEL BIOACTIVE PEPTIDE (PADBS1R7)     
*TITLE    2 DERIVED FROM A PYROBACULUM AEROPHILUM RIBOSOMAL PROTEIN (L39E)       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PADBS1R7;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-18;                                         
*COMPND   5 SYNONYM: 50S RIBOSOMAL PROTEIN L39E;                                 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM;                         
*SOURCE   4 ORGANISM_TAXID: 178306                                               
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIBIOTICS, BACTERIAL RESISTANCE, CATIONIC    
*KEYWDS   2 PEPTIDE, ANTIMICROBIAL PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.H.CARDOSO,L.Y.CHAN,E.S.CANDIDO,D.J.CRAIK,O.L.FRANCO                 
*REVDAT   1   25-SEP-19 6CT1    0                                                
# Restraints file 1: PaDBS1R7.upl
  2 MET  HN      2 MET  HA      2.93  #peak 1 #plist 1 #SUP 0.97 #QF 0.97
  4 ARG  HA      5 ASN  HN      3.41  #peak 3 #plist 1 #SUP 0.99 #QF 0.98
 19 LYS  HN     19 LYS  HA      2.88  #peak 21 #plist 1 #SUP 0.99 #QF 0.99
  3 ALA  HN      3 ALA  QB      2.67  #peak 35 #plist 1 #SUP 0.75 #QF 0.75
  4 ARG  HN      4 ARG  HD2     4.89  #peak 38 #plist 1 #SUP 0.89 #QF 0.89
  4 ARG  HN      4 ARG  HB2     4.01  #peak 39 #plist 1 #SUP 0.91 #QF 0.87
  4 ARG  HB2     5 ASN  HN      4.30  #peak 39 #plist 1 #SUP 0.91 #QF 0.87
  4 ARG  HN      4 ARG  HB3     4.01  #peak 40 #plist 1 #SUP 1.00
  4 ARG  HB3     5 ASN  HN      4.30  #peak 40 #plist 1 #SUP 1.00
  4 ARG  HN      4 ARG  HG2     4.24  #peak 41 #plist 1 #SUP 0.89 #QF 0.89
  5 ASN  HN      5 ASN  HB2     3.22  #peak 45 #plist 1 #SUP 0.85 #QF 0.85
  5 ASN  HN      5 ASN  HB3     3.22  #peak 50 #plist 1 #SUP 0.79 #QF 0.79
  9 ILE  HN      9 ILE  QG2     4.02  #peak 88 #plist 1 #SUP 1.00
  9 ILE  HN      9 ILE  QD1     4.06  #peak 89 #plist 1 #SUP 0.69 #QF 0.69
 13 ILE  HN     13 ILE  QG2     4.15  #peak 100 #plist 1 #SUP 0.98 #QF 0.93
 13 ILE  HN     13 ILE  QD1     5.06  #peak 101 #plist 1 #SUP 0.99 #QF 0.98
 14 LEU  HN     14 LEU  HG      4.61  #peak 132 #plist 1 #SUP 0.74 #QF 0.74
 15 ALA  HN     15 ALA  QB      3.10  #peak 145 #plist 1 #SUP 0.99 #QF 0.99
 16 LYS  HN     16 LYS  HG3     4.69  #peak 155 #plist 1 #SUP 0.97 #QF 0.97
 17 ILE  HN     17 ILE  HB      3.88  #peak 161 #plist 1 #SUP 0.97 #QF 0.97
 17 ILE  HN     17 ILE  QD1     4.96  #peak 165 #plist 1 #SUP 0.93 #QF 0.93
 17 ILE  HN     17 ILE  QG2     3.79  #peak 166 #plist 1 #SUP 0.95 #QF 0.95
 18 PHE  HN     18 PHE  HB2     3.34  #peak 172 #plist 1 #SUP 0.89 #QF 0.89
 18 PHE  HN     18 PHE  HB3     3.34  #peak 173 #plist 1 #SUP 0.79 #QF 0.79
 13 ILE  HN     13 ILE  HG12    5.50  #peak 192 #plist 1 #SUP 0.94 #QF 0.94
  4 ARG  HA      4 ARG  HE      4.19  #peak 234 #plist 1 #SUP 0.95 #QF 0.95
 12 ARG  HA     12 ARG  HE      4.26  #peak 235 #plist 1 #SUP 0.98 #QF 0.98
 12 ARG  HB2    12 ARG  HE      3.74  #peak 239 #plist 1 #SUP 0.80 #QF 0.80
  4 ARG  HB2     4 ARG  HE      3.66  #peak 240 #plist 1 #SUP 0.88 #QF 0.88
 12 ARG  HB3    12 ARG  HE      3.74  #peak 241 #plist 1 #SUP 0.94 #QF 0.94
  4 ARG  HB3     4 ARG  HE      3.66  #peak 242 #plist 1 #SUP 0.95 #QF 0.95
  2 MET  HN      2 MET  QE      4.72  #peak 289 #plist 1 #SUP 1.00
  2 MET  HN      2 MET  HG2     3.81  #peak 312 #plist 1 #SUP 0.98 #QF 0.98
  2 MET  HN      2 MET  HG3     3.81  #peak 313 #plist 1 #SUP 0.75 #QF 0.75
  4 ARG  HN      4 ARG  HD3     4.89  #peak 316 #plist 1 #SUP 0.85 #QF 0.85
  4 ARG  HN      4 ARG  HG3     4.24  #peak 318 #plist 1 #SUP 0.79 #QF 0.50
  6 LYS  HN      6 LYS  HD2     4.67  #peak 321 #plist 1 #SUP 0.99 #QF 0.99
  6 LYS  HN      6 LYS  HD3     4.67  #peak 322 #plist 1 #SUP 0.98 #QF 0.98
  6 LYS  HN      6 LYS  HG2     4.56  #peak 323 #plist 1 #SUP 1.00
  6 LYS  HN      6 LYS  HG3     4.56  #peak 324 #plist 1 #SUP 0.99 #QF 0.99
 11 LYS  HN     11 LYS  HD3     5.50  #peak 327 #plist 1 #SUP 0.87 #QF 0.80
  8 LYS  HN      8 LYS  HG2     4.66  #peak 328 #plist 1 #SUP 0.97 #QF 0.97
  8 LYS  HN      8 LYS  HG3     4.66  #peak 329 #plist 1 #SUP 0.99 #QF 0.99
 10 LEU  HN     10 LEU  HG      4.47  #peak 335 #plist 1 #SUP 0.97 #QF 0.97
  8 LYS  HN      8 LYS  HD2     5.50  #peak 337 #plist 1 #SUP 0.86 #QF 0.66
 11 LYS  HN     11 LYS  HD2     5.50  #peak 337 #plist 1 #SUP 0.86 #QF 0.66
  8 LYS  HN      8 LYS  HD3     5.50  #peak 338 #plist 1 #SUP 0.86 #QF 0.41
 13 ILE  HN     13 ILE  HG13    5.50  #peak 338 #plist 1 #SUP 0.86 #QF 0.41
 12 ARG  HN     12 ARG  HD2     4.94  #peak 339 #plist 1 #SUP 1.00
 12 ARG  HN     12 ARG  HD3     4.94  #peak 340 #plist 1 #SUP 0.91 #QF 0.91
 13 ILE  QD1    14 LEU  HN      5.50  #peak 344 #plist 1 #SUP 0.92 #QF 0.30
 16 LYS  HN     16 LYS  HE3     5.50  #peak 345 #plist 1 #SUP 0.99 #QF 0.99
 16 LYS  HN     16 LYS  HE2     5.50  #peak 346 #plist 1 #SUP 0.58 #QF 0.31
 16 LYS  HN     16 LYS  HB3     3.94  #peak 347 #plist 1 #SUP 0.99 #QF 0.99
  9 ILE  HN      9 ILE  HB      3.72  #peak 348 #plist 1 #SUP 0.88 #QF 0.46
 16 LYS  HN     16 LYS  HB2     3.94  #peak 348 #plist 1 #SUP 0.88 #QF 0.46
 16 LYS  HN     16 LYS  HG2     4.69  #peak 351 #plist 1 #SUP 0.95 #QF 0.47
 19 LYS  HN     19 LYS  HE2     5.27  #peak 352 #plist 1 #SUP 1.00
 19 LYS  HN     19 LYS  HE3     5.27  #peak 353 #plist 1 #SUP 0.74 #QF 0.74
 19 LYS  HN     19 LYS  HD2     4.06  #peak 356 #plist 1 #SUP 0.99 #QF 0.99
 19 LYS  HN     19 LYS  HD3     4.06  #peak 357 #plist 1 #SUP 1.00
 19 LYS  HN     19 LYS  HG3     3.86  #peak 358 #plist 1 #SUP 0.99 #QF 0.99
 19 LYS  HN     19 LYS  HG2     3.86  #peak 359 #plist 1 #SUP 0.98 #QF 0.98
  2 MET  HN      2 MET  QB      3.25  #peak 26 #plist 1
  2 MET  HN      2 MET  QG      3.25  #peak 313 #plist 1
  4 ARG  HN      4 ARG  QG      3.36  #peak 41 #plist 1
  4 ARG  HN      4 ARG  QD      4.19  #peak 38 #plist 1
  4 ARG  QG      4 ARG  HE      3.62  #peak 243 #plist 1
  5 ASN  HN      5 ASN  QB      2.79  #peak 50 #plist 1
  6 LYS  HN      6 LYS  QB      3.31  #peak 59 #plist 1
  6 LYS  HN      6 LYS  QG      4.01  #peak 324 #plist 1
  6 LYS  HN      6 LYS  QD      4.03  #peak 322 #plist 1
  6 LYS  HN      6 LYS  QE      5.34  #peak 319 #plist 1
  8 LYS  HN      8 LYS  QB      3.66  #peak 78 #plist 1
  8 LYS  HN      8 LYS  QG      4.02  #peak 328 #plist 1
  8 LYS  HN      8 LYS  QD      4.70  #peak 337 #plist 1
  8 LYS  HN      8 LYS  QE      5.34  #peak 325 #plist 1
  8 LYS  QB      9 ILE  HN      4.11  #peak 349 #plist 1
  8 LYS  QE      9 ILE  HN      5.34  #peak 346 #plist 1
  9 ILE  HN      9 ILE  QG1     4.11  #peak 351 #plist 1
  9 ILE  QG1    10 LEU  HN      5.34  #peak 330 #plist 1
 10 LEU  HN     10 LEU  QB      3.43  #peak 334 #plist 1
 10 LEU  HN     10 LEU  QQD     4.66  #peak 101 #plist 1
 11 LYS  HN     11 LYS  QG      4.38  #peak 106 #plist 1
 11 LYS  HN     11 LYS  QE      5.34  #peak 336 #plist 1
 11 LYS  QB     12 ARG  HN      4.39  #peak 341 #plist 1
 12 ARG  HN     12 ARG  QB      3.45  #peak 112 #plist 1
 12 ARG  HN     12 ARG  QG      3.76  #peak 114 #plist 1
 12 ARG  QB     12 ARG  HE      3.28  #peak 239 #plist 1
 12 ARG  QB     13 ILE  HN      4.15  #peak 120 #plist 1
 14 LEU  HN     14 LEU  QQD     5.44  #peak 344 #plist 1
 16 LYS  HN     16 LYS  QG      3.89  #peak 155 #plist 1
 16 LYS  HN     16 LYS  QD      4.09  #peak 350 #plist 1
 16 LYS  HN     16 LYS  QE      4.65  #peak 345 #plist 1
 17 ILE  HN     17 ILE  QG1     3.49  #peak 332 #plist 1
 18 PHE  HN     18 PHE  QB      2.86  #peak 173 #plist 1
 19 LYS  HN     19 LYS  QB      2.95  #peak 367 #plist 1
 19 LYS  HN     19 LYS  QG      3.14  #peak 359 #plist 1
 19 LYS  HN     19 LYS  QD      3.48  #peak 356 #plist 1
 19 LYS  HN     19 LYS  QE      4.55  #peak 353 #plist 1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1 -15.409  -0.768  -5.299
    2    H3   PRO   1           HT2      PRO   1 -16.540   0.187  -5.969
    3    HA   PRO   1           HA       PRO   1 -14.541   1.416  -5.702
    4    HB2  PRO   1           HB2      PRO   1 -15.489   2.854  -3.551
    5    HB3  PRO   1           HB1      PRO   1 -16.001   3.082  -5.229
    6    HG2  PRO   1           HG2      PRO   1 -17.336   1.555  -3.036
    7    HG3  PRO   1           HG1      PRO   1 -18.065   2.509  -4.340
    8    HD2  PRO   1           HD2      PRO   1 -18.091  -0.150  -4.407
    9    HD3  PRO   1           HD1      PRO   1 -17.908   0.819  -5.848
   10    H    MET   2           HN       MET   2 -12.601   1.603  -4.656
   11    HA   MET   2           HA       MET   2 -12.108  -0.235  -2.512
   12    HB2  MET   2           HB2      MET   2 -10.309   1.764  -3.891
   13    HB3  MET   2           HB1      MET   2  -9.769   0.646  -2.652
   14    HG2  MET   2           HG2      MET   2 -10.918  -0.108  -5.329
   15    HG3  MET   2           HG1      MET   2  -9.210  -0.130  -4.896
   16    HE1  MET   2           HE1      MET   2  -8.916  -2.622  -5.657
   17    HE2  MET   2           HE2      MET   2 -10.596  -2.629  -6.193
   18    HE3  MET   2           HE3      MET   2  -9.990  -3.936  -5.176
   19    H    ALA   3           HN       ALA   3 -12.554   0.241  -0.517
   20    HA   ALA   3           HA       ALA   3 -11.971   2.946   0.486
   21    HB1  ALA   3           HB1      ALA   3 -14.402   2.786   0.154
   22    HB2  ALA   3           HB2      ALA   3 -13.994   2.914   1.866
   23    HB3  ALA   3           HB3      ALA   3 -14.443   1.353   1.182
   24    H    ARG   4           HN       ARG   4 -12.751  -0.386   1.341
   25    HA   ARG   4           HA       ARG   4 -11.524  -0.284   3.932
   26    HB2  ARG   4           HB2      ARG   4 -12.351  -2.647   2.215
   27    HB3  ARG   4           HB1      ARG   4 -11.895  -2.736   3.908
   28    HG2  ARG   4           HG2      ARG   4 -13.821  -1.439   4.550
   29    HG3  ARG   4           HG1      ARG   4 -14.249  -1.176   2.860
   30    HD2  ARG   4           HD2      ARG   4 -15.626  -2.920   3.882
   31    HD3  ARG   4           HD1      ARG   4 -14.637  -3.569   2.575
   32    HE   ARG   4           HE       ARG   4 -13.235  -3.890   4.943
   33   HH11  ARG   4          HH11      ARG   4 -16.291  -5.086   3.596
   34   HH12  ARG   4          HH12      ARG   4 -16.188  -6.613   4.330
   35   HH21  ARG   4          HH21      ARG   4 -13.098  -6.011   5.980
   36   HH22  ARG   4          HH22      ARG   4 -14.331  -7.147   5.724
   37    H    ASN   5           HN       ASN   5 -10.683  -1.145   0.733
   38    HA   ASN   5           HA       ASN   5  -7.914  -1.763   1.464
   39    HB2  ASN   5           HB2      ASN   5  -9.132  -3.398   0.011
   40    HB3  ASN   5           HB1      ASN   5  -9.420  -2.114  -1.148
   41   HD21  ASN   5          HD21      ASN   5  -8.039  -4.676  -1.401
   42   HD22  ASN   5          HD22      ASN   5  -6.465  -4.332  -1.989
   43    H    LYS   6           HN       LYS   6  -6.646  -0.014   1.338
   44    HA   LYS   6           HA       LYS   6  -7.393   2.111  -0.495
   45    HB2  LYS   6           HB2      LYS   6  -5.580   2.166   1.908
   46    HB3  LYS   6           HB1      LYS   6  -6.176   3.552   1.005
   47    HG2  LYS   6           HG2      LYS   6  -8.441   3.089   1.722
   48    HG3  LYS   6           HG1      LYS   6  -7.895   1.638   2.561
   49    HD2  LYS   6           HD2      LYS   6  -6.518   2.976   4.018
   50    HD3  LYS   6           HD1      LYS   6  -6.997   4.415   3.113
   51    HE2  LYS   6           HE2      LYS   6  -8.816   2.619   4.730
   52    HE3  LYS   6           HE1      LYS   6  -8.277   4.231   5.201
   53    HZ1  LYS   6           HZ1      LYS   6 -10.091   3.498   2.974
   54    HZ2  LYS   6           HZ2      LYS   6  -9.398   5.027   3.123
   55    HZ3  LYS   6           HZ3      LYS   6 -10.444   4.468   4.313
   56    HA   PRO   7           HA       PRO   7  -3.832  -0.223  -2.327
   57    HB2  PRO   7           HB2      PRO   7  -4.151   0.826  -4.855
   58    HB3  PRO   7           HB1      PRO   7  -4.959  -0.629  -4.267
   59    HG2  PRO   7           HG2      PRO   7  -5.994   2.163  -4.458
   60    HG3  PRO   7           HG1      PRO   7  -6.818   0.635  -4.815
   61    HD2  PRO   7           HD2      PRO   7  -7.262   1.971  -2.544
   62    HD3  PRO   7           HD1      PRO   7  -7.239   0.197  -2.580
   63    H    LYS   8           HN       LYS   8  -4.582   3.169  -2.669
   64    HA   LYS   8           HA       LYS   8  -2.106   4.014  -3.726
   65    HB2  LYS   8           HB2      LYS   8  -3.990   5.609  -1.984
   66    HB3  LYS   8           HB1      LYS   8  -2.726   6.258  -3.008
   67    HG2  LYS   8           HG2      LYS   8  -5.149   4.768  -3.990
   68    HG3  LYS   8           HG1      LYS   8  -4.951   6.521  -3.970
   69    HD2  LYS   8           HD2      LYS   8  -3.069   6.338  -5.496
   70    HD3  LYS   8           HD1      LYS   8  -3.215   4.578  -5.486
   71    HE2  LYS   8           HE2      LYS   8  -4.260   5.525  -7.479
   72    HE3  LYS   8           HE1      LYS   8  -5.445   4.747  -6.437
   73    HZ1  LYS   8           HZ1      LYS   8  -6.120   6.926  -5.618
   74    HZ2  LYS   8           HZ2      LYS   8  -6.247   6.884  -7.286
   75    HZ3  LYS   8           HZ3      LYS   8  -4.954   7.676  -6.562
   76    H    ILE   9           HN       ILE   9  -3.373   3.955  -0.452
   77    HA   ILE   9           HA       ILE   9  -0.946   4.985   0.687
   78    HB   ILE   9           HB       ILE   9  -3.360   3.784   2.081
   79   HG12  ILE   9          HG12      ILE   9  -2.706   6.687   1.496
   80   HG13  ILE   9          HG11      ILE   9  -3.920   5.734   0.655
   81   HG21  ILE   9          HG21      ILE   9  -1.381   3.836   3.516
   82   HG22  ILE   9          HG22      ILE   9  -2.557   5.040   4.048
   83   HG23  ILE   9          HG23      ILE   9  -1.135   5.542   3.139
   84   HD11  ILE   9          HD11      ILE   9  -5.179   5.518   2.739
   85   HD12  ILE   9          HD12      ILE   9  -4.929   7.207   2.298
   86   HD13  ILE   9          HD13      ILE   9  -3.954   6.472   3.572
   87    H    LEU  10           HN       LEU  10  -2.624   1.842   0.609
   88    HA   LEU  10           HA       LEU  10  -0.932   0.499   2.347
   89    HB2  LEU  10           HB2      LEU  10  -3.235  -0.179   1.648
   90    HB3  LEU  10           HB1      LEU  10  -2.598  -0.628   0.091
   91    HG   LEU  10           HG       LEU  10  -3.117  -2.514   1.628
   92   HD11  LEU  10          HD11      LEU  10  -0.235  -2.345   0.776
   93   HD12  LEU  10          HD12      LEU  10  -1.590  -2.894  -0.209
   94   HD13  LEU  10          HD13      LEU  10  -1.095  -3.822   1.208
   95   HD21  LEU  10          HD21      LEU  10  -1.583  -3.042   3.454
   96   HD22  LEU  10          HD22      LEU  10  -2.415  -1.510   3.728
   97   HD23  LEU  10          HD23      LEU  10  -0.737  -1.521   3.184
   98    H    LYS  11           HN       LYS  11  -0.898   0.562  -1.274
   99    HA   LYS  11           HA       LYS  11   1.373  -1.094  -1.288
  100    HB2  LYS  11           HB2      LYS  11  -0.021  -1.110  -3.262
  101    HB3  LYS  11           HB1      LYS  11   0.240   0.605  -3.522
  102    HG2  LYS  11           HG2      LYS  11   1.546  -0.780  -5.096
  103    HG3  LYS  11           HG1      LYS  11   2.576   0.212  -4.068
  104    HD2  LYS  11           HD2      LYS  11   2.923  -1.804  -2.601
  105    HD3  LYS  11           HD1      LYS  11   2.035  -2.753  -3.796
  106    HE2  LYS  11           HE2      LYS  11   3.690  -2.201  -5.495
  107    HE3  LYS  11           HE1      LYS  11   4.542  -1.173  -4.348
  108    HZ1  LYS  11           HZ1      LYS  11   5.602  -3.323  -4.617
  109    HZ2  LYS  11           HZ2      LYS  11   4.226  -4.121  -4.130
  110    HZ3  LYS  11           HZ3      LYS  11   5.085  -3.153  -3.030
  111    H    ARG  12           HN       ARG  12   1.048   2.373  -1.064
  112    HA   ARG  12           HA       ARG  12   3.744   2.893  -1.700
  113    HB2  ARG  12           HB2      ARG  12   1.735   4.440  -0.118
  114    HB3  ARG  12           HB1      ARG  12   3.403   4.979  -0.233
  115    HG2  ARG  12           HG2      ARG  12   3.193   5.054  -2.673
  116    HG3  ARG  12           HG1      ARG  12   1.513   4.537  -2.522
  117    HD2  ARG  12           HD2      ARG  12   1.722   6.960  -2.807
  118    HD3  ARG  12           HD1      ARG  12   0.971   6.525  -1.271
  119    HE   ARG  12           HE       ARG  12   3.681   6.776  -0.800
  120   HH11  ARG  12          HH11      ARG  12   1.076   8.905  -1.875
  121   HH12  ARG  12          HH12      ARG  12   1.741  10.301  -1.147
  122   HH21  ARG  12          HH21      ARG  12   4.593   8.672   0.177
  123   HH22  ARG  12          HH22      ARG  12   3.791  10.167   0.036
  124    H    ILE  13           HN       ILE  13   2.191   2.520   1.473
  125    HA   ILE  13           HA       ILE  13   4.558   2.626   3.002
  126    HB   ILE  13           HB       ILE  13   1.975   1.131   3.580
  127   HG12  ILE  13          HG12      ILE  13   1.630   3.544   3.311
  128   HG13  ILE  13          HG11      ILE  13   1.383   3.062   4.983
  129   HG21  ILE  13          HG21      ILE  13   4.192   1.852   5.494
  130   HG22  ILE  13          HG22      ILE  13   3.766   0.231   4.950
  131   HG23  ILE  13          HG23      ILE  13   2.635   1.152   5.942
  132   HD11  ILE  13          HD11      ILE  13   3.625   3.917   5.535
  133   HD12  ILE  13          HD12      ILE  13   2.571   5.162   4.871
  134   HD13  ILE  13          HD13      ILE  13   3.823   4.442   3.861
  135    H    LEU  14           HN       LEU  14   2.876  -0.045   1.466
  136    HA   LEU  14           HA       LEU  14   4.590  -2.067   2.375
  137    HB2  LEU  14           HB2      LEU  14   2.356  -2.516   1.487
  138    HB3  LEU  14           HB1      LEU  14   2.868  -1.966  -0.092
  139    HG   LEU  14           HG       LEU  14   4.435  -3.867  -0.234
  140   HD11  LEU  14          HD11      LEU  14   4.247  -5.707   1.363
  141   HD12  LEU  14          HD12      LEU  14   3.160  -4.734   2.355
  142   HD13  LEU  14          HD13      LEU  14   4.839  -4.237   2.133
  143   HD21  LEU  14          HD21      LEU  14   2.217  -4.034  -1.193
  144   HD22  LEU  14          HD22      LEU  14   1.578  -4.605   0.348
  145   HD23  LEU  14          HD23      LEU  14   2.732  -5.594  -0.549
  146    H    ALA  15           HN       ALA  15   4.887   0.280  -0.251
  147    HA   ALA  15           HA       ALA  15   6.803  -1.241  -1.730
  148    HB1  ALA  15           HB1      ALA  15   5.389   0.450  -2.823
  149    HB2  ALA  15           HB2      ALA  15   7.107   0.767  -3.073
  150    HB3  ALA  15           HB3      ALA  15   6.197   1.711  -1.893
  151    H    LYS  16           HN       LYS  16   6.926   0.646   1.041
  152    HA   LYS  16           HA       LYS  16   9.609   1.530   0.846
  153    HB2  LYS  16           HB2      LYS  16   8.019   0.899   3.345
  154    HB3  LYS  16           HB1      LYS  16   9.463   1.893   3.269
  155    HG2  LYS  16           HG2      LYS  16   6.776   2.532   2.044
  156    HG3  LYS  16           HG1      LYS  16   7.481   3.283   3.472
  157    HD2  LYS  16           HD2      LYS  16   8.665   3.418   0.688
  158    HD3  LYS  16           HD1      LYS  16   7.662   4.668   1.412
  159    HE2  LYS  16           HE2      LYS  16  10.295   3.699   2.529
  160    HE3  LYS  16           HE1      LYS  16  10.077   5.150   1.560
  161    HZ1  LYS  16           HZ1      LYS  16  10.116   5.661   3.921
  162    HZ2  LYS  16           HZ2      LYS  16   8.820   4.637   4.202
  163    HZ3  LYS  16           HZ3      LYS  16   8.598   6.015   3.277
  164    H    ILE  17           HN       ILE  17   8.066  -1.331   2.194
  165    HA   ILE  17           HA       ILE  17  10.703  -2.510   2.545
  166    HB   ILE  17           HB       ILE  17   9.538  -4.453   3.626
  167   HG12  ILE  17          HG12      ILE  17   7.103  -2.643   3.509
  168   HG13  ILE  17          HG11      ILE  17   7.304  -4.128   2.589
  169   HG21  ILE  17          HG21      ILE  17   9.084  -3.262   5.727
  170   HG22  ILE  17          HG22      ILE  17   9.120  -1.733   4.848
  171   HG23  ILE  17          HG23      ILE  17  10.574  -2.726   4.950
  172   HD11  ILE  17          HD11      ILE  17   7.173  -3.911   5.588
  173   HD12  ILE  17          HD12      ILE  17   7.362  -5.404   4.669
  174   HD13  ILE  17          HD13      ILE  17   5.879  -4.460   4.524
  175    H    PHE  18           HN       PHE  18   7.743  -3.225   0.726
  176    HA   PHE  18           HA       PHE  18   9.256  -5.210  -0.791
  177    HB2  PHE  18           HB2      PHE  18   7.408  -6.174   0.543
  178    HB3  PHE  18           HB1      PHE  18   6.280  -5.091  -0.251
  179    HD1  PHE  18           HD1      PHE  18   8.629  -7.877  -0.860
  180    HD2  PHE  18           HD2      PHE  18   5.265  -5.704  -2.276
  181    HE1  PHE  18           HE1      PHE  18   8.273  -9.573  -2.599
  182    HE2  PHE  18           HE2      PHE  18   4.902  -7.393  -4.022
  183    HZ   PHE  18           HZ       PHE  18   6.409  -9.332  -4.185
  184    H    LYS  19           HN       LYS  19   9.894  -4.169  -2.573
  185    HA   LYS  19           HA       LYS  19   8.365  -2.055  -3.707
  186    HB2  LYS  19           HB2      LYS  19  10.976  -3.338  -4.514
  187    HB3  LYS  19           HB1      LYS  19  10.210  -2.065  -5.441
  188    HG2  LYS  19           HG2      LYS  19  11.944  -1.162  -4.075
  189    HG3  LYS  19           HG1      LYS  19  10.394  -0.542  -3.500
  190    HD2  LYS  19           HD2      LYS  19  11.734  -1.064  -1.584
  191    HD3  LYS  19           HD1      LYS  19  10.521  -2.332  -1.713
  192    HE2  LYS  19           HE2      LYS  19  12.181  -3.766  -2.850
  193    HE3  LYS  19           HE1      LYS  19  13.380  -2.501  -2.641
  194    HZ1  LYS  19           HZ1      LYS  19  13.580  -4.181  -0.948
  195    HZ2  LYS  19           HZ2      LYS  19  12.008  -3.935  -0.414
  196    HZ3  LYS  19           HZ3      LYS  19  13.167  -2.715  -0.250
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1 -10.483  10.726  13.452
    2    H3   PRO   1           HT2      PRO   1 -11.690  11.797  13.044
    3    HA   PRO   1           HA       PRO   1 -11.419   9.724  11.703
    4    HB2  PRO   1           HB2      PRO   1 -10.924  11.617   9.615
    5    HB3  PRO   1           HB1      PRO   1 -12.468  10.922  10.126
    6    HG2  PRO   1           HG2      PRO   1 -11.781  13.570  10.482
    7    HG3  PRO   1           HG1      PRO   1 -12.981  12.706  11.451
    8    HD2  PRO   1           HD2      PRO   1 -10.180  13.412  12.044
    9    HD3  PRO   1           HD1      PRO   1 -11.540  13.390  13.148
   10    H    MET   2           HN       MET   2  -9.735   8.369  11.470
   11    HA   MET   2           HA       MET   2  -7.148   9.493  10.732
   12    HB2  MET   2           HB2      MET   2  -7.911   6.697  11.602
   13    HB3  MET   2           HB1      MET   2  -6.286   7.199  11.175
   14    HG2  MET   2           HG2      MET   2  -6.282   8.768  13.045
   15    HG3  MET   2           HG1      MET   2  -7.914   8.261  13.470
   16    HE1  MET   2           HE1      MET   2  -5.784   6.699  16.354
   17    HE2  MET   2           HE2      MET   2  -7.181   7.696  15.952
   18    HE3  MET   2           HE3      MET   2  -5.556   8.259  15.562
   19    H    ALA   3           HN       ALA   3  -6.029   8.686   8.933
   20    HA   ALA   3           HA       ALA   3  -7.607   8.229   6.650
   21    HB1  ALA   3           HB1      ALA   3  -5.375   9.264   6.557
   22    HB2  ALA   3           HB2      ALA   3  -5.496   7.868   5.487
   23    HB3  ALA   3           HB3      ALA   3  -4.650   7.725   7.024
   24    H    ARG   4           HN       ARG   4  -7.970   6.371   5.500
   25    HA   ARG   4           HA       ARG   4  -7.756   3.918   7.064
   26    HB2  ARG   4           HB2      ARG   4  -9.251   4.526   4.520
   27    HB3  ARG   4           HB1      ARG   4  -9.320   2.991   5.375
   28    HG2  ARG   4           HG2      ARG   4 -10.296   5.659   6.399
   29    HG3  ARG   4           HG1      ARG   4 -11.314   4.383   5.736
   30    HD2  ARG   4           HD2      ARG   4 -11.454   4.296   8.126
   31    HD3  ARG   4           HD1      ARG   4 -10.511   2.910   7.583
   32    HE   ARG   4           HE       ARG   4  -8.814   5.048   8.167
   33   HH11  ARG   4          HH11      ARG   4 -10.873   2.719   9.829
   34   HH12  ARG   4          HH12      ARG   4  -9.946   2.654  11.250
   35   HH21  ARG   4          HH21      ARG   4  -7.492   4.965  10.106
   36   HH22  ARG   4          HH22      ARG   4  -7.987   3.981  11.416
   37    H    ASN   5           HN       ASN   5  -7.110   1.953   5.865
   38    HA   ASN   5           HA       ASN   5  -4.769   2.571   4.346
   39    HB2  ASN   5           HB2      ASN   5  -4.684   0.714   5.965
   40    HB3  ASN   5           HB1      ASN   5  -5.945  -0.124   5.070
   41   HD21  ASN   5          HD21      ASN   5  -2.634   0.945   4.990
   42   HD22  ASN   5          HD22      ASN   5  -2.112  -0.155   3.762
   43    H    LYS   6           HN       LYS   6  -5.634   3.567   2.643
   44    HA   LYS   6           HA       LYS   6  -7.401   2.178   0.841
   45    HB2  LYS   6           HB2      LYS   6  -5.805   4.715   0.369
   46    HB3  LYS   6           HB1      LYS   6  -7.172   4.157  -0.579
   47    HG2  LYS   6           HG2      LYS   6  -7.238   5.122   2.282
   48    HG3  LYS   6           HG1      LYS   6  -7.848   5.979   0.871
   49    HD2  LYS   6           HD2      LYS   6  -8.910   3.345   1.925
   50    HD3  LYS   6           HD1      LYS   6  -9.645   4.917   2.199
   51    HE2  LYS   6           HE2      LYS   6  -9.251   3.606  -0.494
   52    HE3  LYS   6           HE1      LYS   6 -10.758   3.661   0.416
   53    HZ1  LYS   6           HZ1      LYS   6  -9.306   6.038  -0.642
   54    HZ2  LYS   6           HZ2      LYS   6 -10.734   6.082   0.224
   55    HZ3  LYS   6           HZ3      LYS   6 -10.704   5.359  -1.288
   56    HA   PRO   7           HA       PRO   7  -4.464  -0.249  -1.367
   57    HB2  PRO   7           HB2      PRO   7  -5.554   1.081  -3.807
   58    HB3  PRO   7           HB1      PRO   7  -5.254  -0.632  -3.489
   59    HG2  PRO   7           HG2      PRO   7  -7.719   0.307  -3.326
   60    HG3  PRO   7           HG1      PRO   7  -7.120  -0.861  -2.135
   61    HD2  PRO   7           HD2      PRO   7  -7.585   2.066  -1.844
   62    HD3  PRO   7           HD1      PRO   7  -7.764   0.759  -0.659
   63    H    LYS   8           HN       LYS   8  -4.706   3.067  -2.669
   64    HA   LYS   8           HA       LYS   8  -2.103   3.083  -3.748
   65    HB2  LYS   8           HB2      LYS   8  -2.318   5.530  -3.899
   66    HB3  LYS   8           HB1      LYS   8  -3.740   4.709  -4.508
   67    HG2  LYS   8           HG2      LYS   8  -4.923   5.232  -2.412
   68    HG3  LYS   8           HG1      LYS   8  -3.481   6.048  -1.823
   69    HD2  LYS   8           HD2      LYS   8  -4.842   6.871  -4.383
   70    HD3  LYS   8           HD1      LYS   8  -5.347   7.503  -2.826
   71    HE2  LYS   8           HE2      LYS   8  -3.843   9.078  -3.904
   72    HE3  LYS   8           HE1      LYS   8  -3.068   8.412  -2.479
   73    HZ1  LYS   8           HZ1      LYS   8  -2.523   7.438  -5.248
   74    HZ2  LYS   8           HZ2      LYS   8  -1.609   7.125  -3.834
   75    HZ3  LYS   8           HZ3      LYS   8  -1.658   8.643  -4.478
   76    H    ILE   9           HN       ILE   9  -3.271   3.867  -0.563
   77    HA   ILE   9           HA       ILE   9  -0.792   4.994   0.358
   78    HB   ILE   9           HB       ILE   9  -3.150   3.922   1.959
   79   HG12  ILE   9          HG12      ILE   9  -2.505   6.770   1.145
   80   HG13  ILE   9          HG11      ILE   9  -3.773   5.776   0.442
   81   HG21  ILE   9          HG21      ILE   9  -2.270   5.292   3.798
   82   HG22  ILE   9          HG22      ILE   9  -0.882   5.735   2.803
   83   HG23  ILE   9          HG23      ILE   9  -1.111   4.058   3.301
   84   HD11  ILE   9          HD11      ILE   9  -3.637   6.695   3.305
   85   HD12  ILE   9          HD12      ILE   9  -4.922   5.718   2.596
   86   HD13  ILE   9          HD13      ILE   9  -4.667   7.374   2.046
   87    H    LEU  10           HN       LEU  10  -2.454   1.940   0.430
   88    HA   LEU  10           HA       LEU  10  -0.740   0.448   2.041
   89    HB2  LEU  10           HB2      LEU  10  -2.936  -0.339   1.383
   90    HB3  LEU  10           HB1      LEU  10  -2.444  -0.387  -0.297
   91    HG   LEU  10           HG       LEU  10  -0.847  -2.199   0.249
   92   HD11  LEU  10          HD11      LEU  10  -2.125  -2.105   2.976
   93   HD12  LEU  10          HD12      LEU  10  -0.448  -1.714   2.591
   94   HD13  LEU  10          HD13      LEU  10  -1.036  -3.362   2.393
   95   HD21  LEU  10          HD21      LEU  10  -2.550  -3.937   0.570
   96   HD22  LEU  10          HD22      LEU  10  -3.042  -2.727  -0.615
   97   HD23  LEU  10          HD23      LEU  10  -3.712  -2.690   1.015
   98    H    LYS  11           HN       LYS  11  -0.777   0.919  -1.477
   99    HA   LYS  11           HA       LYS  11   1.462  -0.655  -2.048
  100    HB2  LYS  11           HB2      LYS  11   0.378   1.734  -3.522
  101    HB3  LYS  11           HB1      LYS  11   1.648   0.697  -4.145
  102    HG2  LYS  11           HG2      LYS  11  -1.188  -0.114  -3.522
  103    HG3  LYS  11           HG1      LYS  11  -0.494   0.114  -5.123
  104    HD2  LYS  11           HD2      LYS  11   0.273  -2.008  -3.105
  105    HD3  LYS  11           HD1      LYS  11  -0.623  -2.241  -4.598
  106    HE2  LYS  11           HE2      LYS  11   2.245  -1.329  -4.370
  107    HE3  LYS  11           HE1      LYS  11   1.704  -2.929  -4.854
  108    HZ1  LYS  11           HZ1      LYS  11   0.693  -1.975  -6.825
  109    HZ2  LYS  11           HZ2      LYS  11   2.320  -1.548  -6.745
  110    HZ3  LYS  11           HZ3      LYS  11   1.153  -0.417  -6.365
  111    H    ARG  12           HN       ARG  12   1.223   2.658  -1.027
  112    HA   ARG  12           HA       ARG  12   3.946   3.231  -1.451
  113    HB2  ARG  12           HB2      ARG  12   1.847   4.538   0.244
  114    HB3  ARG  12           HB1      ARG  12   3.517   5.090   0.266
  115    HG2  ARG  12           HG2      ARG  12   1.774   4.951  -2.191
  116    HG3  ARG  12           HG1      ARG  12   2.108   6.412  -1.253
  117    HD2  ARG  12           HD2      ARG  12   4.141   4.726  -2.736
  118    HD3  ARG  12           HD1      ARG  12   3.573   6.331  -3.180
  119    HE   ARG  12           HE       ARG  12   4.470   6.907  -0.834
  120   HH11  ARG  12          HH11      ARG  12   6.065   4.816  -3.216
  121   HH12  ARG  12          HH12      ARG  12   7.630   5.071  -2.630
  122   HH21  ARG  12          HH21      ARG  12   6.648   7.281  -0.016
  123   HH22  ARG  12          HH22      ARG  12   7.964   6.538  -0.795
  124    H    ILE  13           HN       ILE  13   2.243   2.394   1.589
  125    HA   ILE  13           HA       ILE  13   4.646   2.263   3.059
  126    HB   ILE  13           HB       ILE  13   3.422   1.005   4.809
  127   HG12  ILE  13          HG12      ILE  13   1.074   1.080   2.897
  128   HG13  ILE  13          HG11      ILE  13   1.984  -0.366   3.309
  129   HG21  ILE  13          HG21      ILE  13   3.292   3.403   4.806
  130   HG22  ILE  13          HG22      ILE  13   1.747   2.730   5.327
  131   HG23  ILE  13          HG23      ILE  13   1.927   3.364   3.690
  132   HD11  ILE  13          HD11      ILE  13   1.245  -0.154   5.637
  133   HD12  ILE  13          HD12      ILE  13  -0.120  -0.267   4.526
  134   HD13  ILE  13          HD13      ILE  13   0.332   1.294   5.209
  135    H    LEU  14           HN       LEU  14   2.984  -0.118   1.146
  136    HA   LEU  14           HA       LEU  14   4.588  -2.320   1.866
  137    HB2  LEU  14           HB2      LEU  14   2.406  -2.580   0.797
  138    HB3  LEU  14           HB1      LEU  14   3.000  -1.787  -0.642
  139    HG   LEU  14           HG       LEU  14   4.576  -3.678  -0.987
  140   HD11  LEU  14          HD11      LEU  14   4.774  -4.458   1.299
  141   HD12  LEU  14          HD12      LEU  14   4.227  -5.759   0.244
  142   HD13  LEU  14          HD13      LEU  14   3.078  -4.939   1.301
  143   HD21  LEU  14          HD21      LEU  14   2.437  -3.607  -2.151
  144   HD22  LEU  14          HD22      LEU  14   1.659  -4.423  -0.795
  145   HD23  LEU  14          HD23      LEU  14   2.876  -5.267  -1.750
  146    H    ALA  15           HN       ALA  15   4.992   0.337  -0.467
  147    HA   ALA  15           HA       ALA  15   6.992  -0.967  -2.003
  148    HB1  ALA  15           HB1      ALA  15   7.441   1.257  -2.919
  149    HB2  ALA  15           HB2      ALA  15   6.426   1.978  -1.673
  150    HB3  ALA  15           HB3      ALA  15   5.712   0.916  -2.886
  151    H    LYS  16           HN       LYS  16   6.961   0.776   0.935
  152    HA   LYS  16           HA       LYS  16   9.709   1.429   1.048
  153    HB2  LYS  16           HB2      LYS  16   7.678   1.058   3.229
  154    HB3  LYS  16           HB1      LYS  16   9.291   1.719   3.461
  155    HG2  LYS  16           HG2      LYS  16   8.717   3.594   1.977
  156    HG3  LYS  16           HG1      LYS  16   7.105   2.913   1.754
  157    HD2  LYS  16           HD2      LYS  16   7.068   4.699   3.420
  158    HD3  LYS  16           HD1      LYS  16   6.678   3.146   4.162
  159    HE2  LYS  16           HE2      LYS  16   9.016   2.961   4.930
  160    HE3  LYS  16           HE1      LYS  16   9.351   4.535   4.214
  161    HZ1  LYS  16           HZ1      LYS  16   8.972   4.662   6.574
  162    HZ2  LYS  16           HZ2      LYS  16   7.471   3.949   6.427
  163    HZ3  LYS  16           HZ3      LYS  16   7.742   5.504   5.783
  164    H    ILE  17           HN       ILE  17   7.818  -1.328   2.123
  165    HA   ILE  17           HA       ILE  17  10.211  -2.517   3.258
  166    HB   ILE  17           HB       ILE  17   8.242  -2.687   4.667
  167   HG12  ILE  17          HG12      ILE  17   8.963  -5.402   3.525
  168   HG13  ILE  17          HG11      ILE  17   9.848  -4.546   4.776
  169   HG21  ILE  17          HG21      ILE  17   6.259  -3.988   4.053
  170   HG22  ILE  17          HG22      ILE  17   6.903  -4.168   2.419
  171   HG23  ILE  17          HG23      ILE  17   6.488  -2.567   3.033
  172   HD11  ILE  17          HD11      ILE  17   8.478  -6.321   5.713
  173   HD12  ILE  17          HD12      ILE  17   7.033  -5.591   5.011
  174   HD13  ILE  17          HD13      ILE  17   7.926  -4.741   6.272
  175    H    PHE  18           HN       PHE  18   7.999  -3.084   0.555
  176    HA   PHE  18           HA       PHE  18   9.525  -5.462  -0.117
  177    HB2  PHE  18           HB2      PHE  18   7.020  -5.603  -0.001
  178    HB3  PHE  18           HB1      PHE  18   6.942  -4.463  -1.331
  179    HD1  PHE  18           HD1      PHE  18   8.566  -7.715  -0.492
  180    HD2  PHE  18           HD2      PHE  18   6.644  -5.326  -3.438
  181    HE1  PHE  18           HE1      PHE  18   8.641  -9.600  -2.057
  182    HE2  PHE  18           HE2      PHE  18   6.723  -7.211  -5.015
  183    HZ   PHE  18           HZ       PHE  18   7.722  -9.353  -4.318
  184    H    LYS  19           HN       LYS  19  11.335  -4.266  -0.728
  185    HA   LYS  19           HA       LYS  19  11.101  -3.326  -3.425
  186    HB2  LYS  19           HB2      LYS  19  13.121  -1.742  -2.694
  187    HB3  LYS  19           HB1      LYS  19  11.448  -1.239  -2.595
  188    HG2  LYS  19           HG2      LYS  19  12.541  -0.548  -0.581
  189    HG3  LYS  19           HG1      LYS  19  11.449  -1.852  -0.184
  190    HD2  LYS  19           HD2      LYS  19  13.415  -2.224   1.084
  191    HD3  LYS  19           HD1      LYS  19  13.463  -3.388  -0.230
  192    HE2  LYS  19           HE2      LYS  19  14.985  -0.766  -0.180
  193    HE3  LYS  19           HE1      LYS  19  15.657  -2.325   0.269
  194    HZ1  LYS  19           HZ1      LYS  19  16.323  -1.944  -1.931
  195    HZ2  LYS  19           HZ2      LYS  19  14.811  -1.398  -2.410
  196    HZ3  LYS  19           HZ3      LYS  19  15.033  -3.039  -2.063
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1 -18.160  -0.209  11.954
    2    H3   PRO   1           HT2      PRO   1 -17.107  -1.317  12.519
    3    HA   PRO   1           HA       PRO   1 -18.067  -3.070  11.237
    4    HB2  PRO   1           HB2      PRO   1 -19.028  -1.542   9.105
    5    HB3  PRO   1           HB1      PRO   1 -20.011  -2.528  10.197
    6    HG2  PRO   1           HG2      PRO   1 -19.441   0.401  10.298
    7    HG3  PRO   1           HG1      PRO   1 -20.931  -0.466  10.707
    8    HD2  PRO   1           HD2      PRO   1 -19.401   0.459  12.648
    9    HD3  PRO   1           HD1      PRO   1 -20.158  -1.121  12.755
   10    H    MET   2           HN       MET   2 -17.188  -3.106   8.826
   11    HA   MET   2           HA       MET   2 -15.032  -1.158   8.563
   12    HB2  MET   2           HB2      MET   2 -13.463  -2.912   7.835
   13    HB3  MET   2           HB1      MET   2 -13.978  -3.153   9.493
   14    HG2  MET   2           HG2      MET   2 -15.467  -4.935   8.802
   15    HG3  MET   2           HG1      MET   2 -15.076  -4.632   7.114
   16    HE1  MET   2           HE1      MET   2 -12.778  -5.178   5.984
   17    HE2  MET   2           HE2      MET   2 -11.367  -5.791   6.841
   18    HE3  MET   2           HE3      MET   2 -11.927  -4.148   7.139
   19    H    ALA   3           HN       ALA   3 -14.003  -1.396   6.320
   20    HA   ALA   3           HA       ALA   3 -15.794  -2.175   4.218
   21    HB1  ALA   3           HB1      ALA   3 -16.699   0.032   4.868
   22    HB2  ALA   3           HB2      ALA   3 -15.970   0.089   3.269
   23    HB3  ALA   3           HB3      ALA   3 -15.103   0.751   4.652
   24    H    ARG   4           HN       ARG   4 -14.424  -0.435   2.294
   25    HA   ARG   4           HA       ARG   4 -11.930  -1.913   2.186
   26    HB2  ARG   4           HB2      ARG   4 -13.285  -0.145   0.119
   27    HB3  ARG   4           HB1      ARG   4 -11.762  -0.976  -0.111
   28    HG2  ARG   4           HG2      ARG   4 -14.333  -2.381   0.531
   29    HG3  ARG   4           HG1      ARG   4 -13.733  -2.104  -1.109
   30    HD2  ARG   4           HD2      ARG   4 -12.313  -3.622   1.077
   31    HD3  ARG   4           HD1      ARG   4 -13.147  -4.335  -0.303
   32    HE   ARG   4           HE       ARG   4 -11.551  -2.924  -1.640
   33   HH11  ARG   4          HH11      ARG   4 -10.662  -4.416   1.478
   34   HH12  ARG   4          HH12      ARG   4  -9.035  -4.652   1.068
   35   HH21  ARG   4          HH21      ARG   4  -9.269  -3.271  -2.184
   36   HH22  ARG   4          HH22      ARG   4  -8.214  -3.972  -1.048
   37    H    ASN   5           HN       ASN   5 -10.110  -0.490   1.029
   38    HA   ASN   5           HA       ASN   5  -9.800   2.079   2.390
   39    HB2  ASN   5           HB2      ASN   5  -8.760   0.152   3.741
   40    HB3  ASN   5           HB1      ASN   5  -7.697  -0.120   2.375
   41   HD21  ASN   5          HD21      ASN   5  -6.968   0.475   5.063
   42   HD22  ASN   5          HD22      ASN   5  -6.107   1.975   5.058
   43    H    LYS   6           HN       LYS   6  -8.027   3.256   1.278
   44    HA   LYS   6           HA       LYS   6  -8.149   2.716  -1.538
   45    HB2  LYS   6           HB2      LYS   6  -6.901   4.891  -1.750
   46    HB3  LYS   6           HB1      LYS   6  -8.461   5.005  -0.955
   47    HG2  LYS   6           HG2      LYS   6  -7.235   5.013   1.234
   48    HG3  LYS   6           HG1      LYS   6  -5.737   5.088   0.308
   49    HD2  LYS   6           HD2      LYS   6  -6.391   7.157  -0.707
   50    HD3  LYS   6           HD1      LYS   6  -7.977   7.078   0.054
   51    HE2  LYS   6           HE2      LYS   6  -6.906   7.245   2.262
   52    HE3  LYS   6           HE1      LYS   6  -5.332   7.356   1.474
   53    HZ1  LYS   6           HZ1      LYS   6  -6.023   9.395   0.419
   54    HZ2  LYS   6           HZ2      LYS   6  -6.230   9.545   2.080
   55    HZ3  LYS   6           HZ3      LYS   6  -7.556   9.281   1.085
   56    HA   PRO   7           HA       PRO   7  -4.549   0.211  -1.411
   57    HB2  PRO   7           HB2      PRO   7  -4.159  -0.024  -4.092
   58    HB3  PRO   7           HB1      PRO   7  -5.398  -0.915  -3.201
   59    HG2  PRO   7           HG2      PRO   7  -5.664   1.584  -4.825
   60    HG3  PRO   7           HG1      PRO   7  -6.732   0.169  -4.770
   61    HD2  PRO   7           HD2      PRO   7  -7.296   2.444  -3.455
   62    HD3  PRO   7           HD1      PRO   7  -7.734   0.849  -2.803
   63    H    LYS   8           HN       LYS   8  -4.596   3.317  -2.878
   64    HA   LYS   8           HA       LYS   8  -1.979   3.495  -3.856
   65    HB2  LYS   8           HB2      LYS   8  -3.764   5.662  -2.755
   66    HB3  LYS   8           HB1      LYS   8  -2.208   5.978  -3.503
   67    HG2  LYS   8           HG2      LYS   8  -3.019   4.984  -5.591
   68    HG3  LYS   8           HG1      LYS   8  -4.591   4.705  -4.839
   69    HD2  LYS   8           HD2      LYS   8  -4.880   7.101  -4.500
   70    HD3  LYS   8           HD1      LYS   8  -3.274   7.406  -5.155
   71    HE2  LYS   8           HE2      LYS   8  -4.973   7.886  -6.824
   72    HE3  LYS   8           HE1      LYS   8  -3.993   6.513  -7.322
   73    HZ1  LYS   8           HZ1      LYS   8  -6.367   6.171  -7.728
   74    HZ2  LYS   8           HZ2      LYS   8  -6.696   6.319  -6.089
   75    HZ3  LYS   8           HZ3      LYS   8  -5.775   5.030  -6.649
   76    H    ILE   9           HN       ILE   9  -3.195   4.278  -0.605
   77    HA   ILE   9           HA       ILE   9  -0.567   5.016   0.266
   78    HB   ILE   9           HB       ILE   9  -1.508   5.155   2.550
   79   HG12  ILE   9          HG12      ILE   9  -4.117   4.260   1.274
   80   HG13  ILE   9          HG11      ILE   9  -3.142   3.299   2.370
   81   HG21  ILE   9          HG21      ILE   9  -3.076   7.004   2.131
   82   HG22  ILE   9          HG22      ILE   9  -3.166   6.522   0.436
   83   HG23  ILE   9          HG23      ILE   9  -1.639   7.090   1.110
   84   HD11  ILE   9          HD11      ILE   9  -3.559   4.900   4.163
   85   HD12  ILE   9          HD12      ILE   9  -5.067   4.271   3.498
   86   HD13  ILE   9          HD13      ILE   9  -4.517   5.888   3.060
   87    H    LEU  10           HN       LEU  10  -2.520   2.168   0.338
   88    HA   LEU  10           HA       LEU  10  -1.025   0.719   2.250
   89    HB2  LEU  10           HB2      LEU  10  -2.778  -0.327   0.033
   90    HB3  LEU  10           HB1      LEU  10  -2.206  -1.246   1.410
   91    HG   LEU  10           HG       LEU  10  -4.127   1.076   1.499
   92   HD11  LEU  10          HD11      LEU  10  -5.138  -0.921   0.610
   93   HD12  LEU  10          HD12      LEU  10  -5.726  -0.625   2.250
   94   HD13  LEU  10          HD13      LEU  10  -4.515  -1.870   1.959
   95   HD21  LEU  10          HD21      LEU  10  -4.365   0.513   3.890
   96   HD22  LEU  10          HD22      LEU  10  -2.745   1.075   3.496
   97   HD23  LEU  10          HD23      LEU  10  -3.042  -0.645   3.737
   98    H    LYS  11           HN       LYS  11  -0.972   0.705  -1.309
   99    HA   LYS  11           HA       LYS  11   1.122  -1.159  -1.531
  100    HB2  LYS  11           HB2      LYS  11   0.087   0.962  -3.397
  101    HB3  LYS  11           HB1      LYS  11   1.490  -0.005  -3.813
  102    HG2  LYS  11           HG2      LYS  11  -1.259  -1.092  -3.205
  103    HG3  LYS  11           HG1      LYS  11  -0.572  -0.873  -4.819
  104    HD2  LYS  11           HD2      LYS  11   1.316  -2.364  -4.105
  105    HD3  LYS  11           HD1      LYS  11   0.410  -2.715  -2.640
  106    HE2  LYS  11           HE2      LYS  11  -0.538  -3.249  -5.453
  107    HE3  LYS  11           HE1      LYS  11   0.133  -4.450  -4.356
  108    HZ1  LYS  11           HZ1      LYS  11  -2.250  -4.537  -4.377
  109    HZ2  LYS  11           HZ2      LYS  11  -2.373  -2.918  -3.940
  110    HZ3  LYS  11           HZ3      LYS  11  -1.731  -4.033  -2.857
  111    H    ARG  12           HN       ARG  12   1.097   2.340  -1.231
  112    HA   ARG  12           HA       ARG  12   3.770   2.845  -1.600
  113    HB2  ARG  12           HB2      ARG  12   1.539   4.278  -1.037
  114    HB3  ARG  12           HB1      ARG  12   2.381   4.377   0.498
  115    HG2  ARG  12           HG2      ARG  12   2.969   6.263  -0.824
  116    HG3  ARG  12           HG1      ARG  12   4.373   5.192  -0.739
  117    HD2  ARG  12           HD2      ARG  12   4.080   5.975  -3.000
  118    HD3  ARG  12           HD1      ARG  12   3.762   4.252  -2.946
  119    HE   ARG  12           HE       ARG  12   1.453   5.969  -2.682
  120   HH11  ARG  12          HH11      ARG  12   3.385   3.963  -4.853
  121   HH12  ARG  12          HH12      ARG  12   2.265   3.995  -6.124
  122   HH21  ARG  12          HH21      ARG  12  -0.084   6.013  -4.384
  123   HH22  ARG  12          HH22      ARG  12   0.228   5.197  -5.860
  124    H    ILE  13           HN       ILE  13   2.017   2.025   1.410
  125    HA   ILE  13           HA       ILE  13   4.171   2.152   3.211
  126    HB   ILE  13           HB       ILE  13   1.782   0.265   3.307
  127   HG12  ILE  13          HG12      ILE  13   2.186   2.937   4.675
  128   HG13  ILE  13          HG11      ILE  13   1.216   2.692   3.228
  129   HG21  ILE  13          HG21      ILE  13   2.211   0.109   5.719
  130   HG22  ILE  13          HG22      ILE  13   3.655   1.103   5.525
  131   HG23  ILE  13          HG23      ILE  13   3.580  -0.496   4.782
  132   HD11  ILE  13          HD11      ILE  13  -0.171   2.840   5.215
  133   HD12  ILE  13          HD12      ILE  13   0.694   1.483   5.937
  134   HD13  ILE  13          HD13      ILE  13  -0.286   1.236   4.493
  135    H    LEU  14           HN       LEU  14   3.005  -0.548   1.278
  136    HA   LEU  14           HA       LEU  14   5.038  -2.314   2.165
  137    HB2  LEU  14           HB2      LEU  14   3.022  -2.473  -0.049
  138    HB3  LEU  14           HB1      LEU  14   4.322  -3.636   0.035
  139    HG   LEU  14           HG       LEU  14   2.305  -4.573   0.977
  140   HD11  LEU  14          HD11      LEU  14   4.405  -5.274   1.939
  141   HD12  LEU  14          HD12      LEU  14   3.114  -5.292   3.135
  142   HD13  LEU  14          HD13      LEU  14   4.300  -3.991   3.146
  143   HD21  LEU  14          HD21      LEU  14   1.256  -3.691   3.002
  144   HD22  LEU  14          HD22      LEU  14   1.189  -2.508   1.694
  145   HD23  LEU  14          HD23      LEU  14   2.369  -2.324   2.990
  146    H    ALA  15           HN       ALA  15   4.995   0.191  -0.228
  147    HA   ALA  15           HA       ALA  15   7.104  -0.912  -1.806
  148    HB1  ALA  15           HB1      ALA  15   5.482   0.692  -2.724
  149    HB2  ALA  15           HB2      ALA  15   7.147   1.237  -2.919
  150    HB3  ALA  15           HB3      ALA  15   6.131   1.939  -1.657
  151    H    LYS  16           HN       LYS  16   6.958   0.714   1.162
  152    HA   LYS  16           HA       LYS  16   9.635   1.730   1.119
  153    HB2  LYS  16           HB2      LYS  16   7.870   1.042   3.470
  154    HB3  LYS  16           HB1      LYS  16   9.407   1.874   3.587
  155    HG2  LYS  16           HG2      LYS  16   8.430   3.712   2.211
  156    HG3  LYS  16           HG1      LYS  16   6.873   2.881   2.315
  157    HD2  LYS  16           HD2      LYS  16   6.959   3.001   4.743
  158    HD3  LYS  16           HD1      LYS  16   8.527   3.800   4.661
  159    HE2  LYS  16           HE2      LYS  16   7.447   5.652   3.407
  160    HE3  LYS  16           HE1      LYS  16   5.896   4.851   3.647
  161    HZ1  LYS  16           HZ1      LYS  16   6.250   6.569   5.302
  162    HZ2  LYS  16           HZ2      LYS  16   7.682   5.850   5.796
  163    HZ3  LYS  16           HZ3      LYS  16   6.220   5.070   6.067
  164    H    ILE  17           HN       ILE  17   8.088  -1.259   1.891
  165    HA   ILE  17           HA       ILE  17  10.516  -2.398   3.033
  166    HB   ILE  17           HB       ILE  17   7.917  -3.800   2.317
  167   HG12  ILE  17          HG12      ILE  17   8.783  -2.716   5.006
  168   HG13  ILE  17          HG11      ILE  17   7.580  -1.958   3.967
  169   HG21  ILE  17          HG21      ILE  17   8.682  -5.519   3.902
  170   HG22  ILE  17          HG22      ILE  17  10.174  -4.618   4.156
  171   HG23  ILE  17          HG23      ILE  17   9.823  -5.311   2.572
  172   HD11  ILE  17          HD11      ILE  17   6.160  -3.941   4.198
  173   HD12  ILE  17          HD12      ILE  17   6.534  -3.218   5.762
  174   HD13  ILE  17          HD13      ILE  17   7.373  -4.679   5.244
  175    H    PHE  18           HN       PHE  18   8.382  -2.917   0.187
  176    HA   PHE  18           HA       PHE  18  10.474  -4.411  -1.089
  177    HB2  PHE  18           HB2      PHE  18   7.522  -4.121  -1.614
  178    HB3  PHE  18           HB1      PHE  18   8.634  -5.127  -2.517
  179    HD1  PHE  18           HD1      PHE  18   6.639  -4.792   0.497
  180    HD2  PHE  18           HD2      PHE  18   9.570  -7.172  -1.461
  181    HE1  PHE  18           HE1      PHE  18   6.188  -6.632   2.070
  182    HE2  PHE  18           HE2      PHE  18   9.127  -9.015   0.107
  183    HZ   PHE  18           HZ       PHE  18   7.434  -8.746   1.875
  184    H    LYS  19           HN       LYS  19  11.715  -2.747  -1.986
  185    HA   LYS  19           HA       LYS  19  10.466  -0.544  -3.314
  186    HB2  LYS  19           HB2      LYS  19  13.361  -1.419  -3.153
  187    HB3  LYS  19           HB1      LYS  19  12.817   0.014  -3.995
  188    HG2  LYS  19           HG2      LYS  19  13.735   0.631  -1.893
  189    HG3  LYS  19           HG1      LYS  19  11.997   0.937  -1.832
  190    HD2  LYS  19           HD2      LYS  19  12.726   0.004   0.270
  191    HD3  LYS  19           HD1      LYS  19  11.788  -1.223  -0.575
  192    HE2  LYS  19           HE2      LYS  19  13.865  -2.299  -1.320
  193    HE3  LYS  19           HE1      LYS  19  14.803  -1.061  -0.487
  194    HZ1  LYS  19           HZ1      LYS  19  14.591  -3.124   0.805
  195    HZ2  LYS  19           HZ2      LYS  19  12.923  -2.944   0.842
  196    HZ3  LYS  19           HZ3      LYS  19  13.910  -1.804   1.596
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1 -17.538  -1.272   5.622
    2    H3   PRO   1           HT2      PRO   1 -18.245   0.202   5.459
    3    HA   PRO   1           HA       PRO   1 -16.917   1.143   7.206
    4    HB2  PRO   1           HB2      PRO   1 -14.698  -0.502   7.039
    5    HB3  PRO   1           HB1      PRO   1 -15.783  -0.384   8.433
    6    HG2  PRO   1           HG2      PRO   1 -15.755  -2.396   6.226
    7    HG3  PRO   1           HG1      PRO   1 -16.122  -2.625   7.944
    8    HD2  PRO   1           HD2      PRO   1 -18.097  -2.605   6.179
    9    HD3  PRO   1           HD1      PRO   1 -18.258  -1.832   7.742
   10    H    MET   2           HN       MET   2 -15.491   2.541   6.296
   11    HA   MET   2           HA       MET   2 -15.131   2.281   3.435
   12    HB2  MET   2           HB2      MET   2 -14.481   4.530   5.339
   13    HB3  MET   2           HB1      MET   2 -14.316   4.610   3.590
   14    HG2  MET   2           HG2      MET   2 -16.693   4.327   3.320
   15    HG3  MET   2           HG1      MET   2 -16.893   4.127   5.058
   16    HE1  MET   2           HE1      MET   2 -18.552   7.580   4.291
   17    HE2  MET   2           HE2      MET   2 -18.755   6.036   5.104
   18    HE3  MET   2           HE3      MET   2 -18.575   6.088   3.349
   19    H    ALA   3           HN       ALA   3 -13.056   2.667   2.471
   20    HA   ALA   3           HA       ALA   3 -11.013   1.201   3.825
   21    HB1  ALA   3           HB1      ALA   3 -11.387   0.891   1.420
   22    HB2  ALA   3           HB2      ALA   3  -9.748   1.460   1.743
   23    HB3  ALA   3           HB3      ALA   3 -10.968   2.580   1.138
   24    H    ARG   4           HN       ARG   4 -10.168   2.265   5.428
   25    HA   ARG   4           HA       ARG   4  -9.591   5.073   5.486
   26    HB2  ARG   4           HB2      ARG   4  -8.383   2.875   7.158
   27    HB3  ARG   4           HB1      ARG   4  -8.389   4.588   7.528
   28    HG2  ARG   4           HG2      ARG   4 -10.806   4.520   7.790
   29    HG3  ARG   4           HG1      ARG   4 -10.793   2.795   7.402
   30    HD2  ARG   4           HD2      ARG   4 -10.849   3.120   9.810
   31    HD3  ARG   4           HD1      ARG   4  -9.328   2.383   9.302
   32    HE   ARG   4           HE       ARG   4  -9.547   5.255   9.718
   33   HH11  ARG   4          HH11      ARG   4  -7.928   2.182  10.450
   34   HH12  ARG   4          HH12      ARG   4  -6.788   2.878  11.514
   35   HH21  ARG   4          HH21      ARG   4  -7.979   6.178  11.248
   36   HH22  ARG   4          HH22      ARG   4  -6.807   5.154  11.963
   37    H    ASN   5           HN       ASN   5  -7.689   2.185   5.325
   38    HA   ASN   5           HA       ASN   5  -5.423   3.657   4.265
   39    HB2  ASN   5           HB2      ASN   5  -4.889   1.972   5.959
   40    HB3  ASN   5           HB1      ASN   5  -5.710   0.731   5.022
   41   HD21  ASN   5          HD21      ASN   5  -4.635  -0.241   3.355
   42   HD22  ASN   5          HD22      ASN   5  -2.979   0.068   2.986
   43    H    LYS   6           HN       LYS   6  -6.075   4.259   2.341
   44    HA   LYS   6           HA       LYS   6  -7.463   2.742   0.431
   45    HB2  LYS   6           HB2      LYS   6  -5.479   4.968  -0.079
   46    HB3  LYS   6           HB1      LYS   6  -6.743   4.429  -1.165
   47    HG2  LYS   6           HG2      LYS   6  -8.440   5.253   0.393
   48    HG3  LYS   6           HG1      LYS   6  -7.166   5.779   1.499
   49    HD2  LYS   6           HD2      LYS   6  -6.263   7.227  -0.303
   50    HD3  LYS   6           HD1      LYS   6  -7.625   6.755  -1.314
   51    HE2  LYS   6           HE2      LYS   6  -7.794   8.229   1.323
   52    HE3  LYS   6           HE1      LYS   6  -7.965   8.942  -0.270
   53    HZ1  LYS   6           HZ1      LYS   6 -10.120   8.538   0.760
   54    HZ2  LYS   6           HZ2      LYS   6  -9.809   6.903   0.879
   55    HZ3  LYS   6           HZ3      LYS   6  -9.957   7.625  -0.627
   56    HA   PRO   7           HA       PRO   7  -4.391  -0.107  -1.235
   57    HB2  PRO   7           HB2      PRO   7  -5.398   0.929  -3.850
   58    HB3  PRO   7           HB1      PRO   7  -5.152  -0.741  -3.336
   59    HG2  PRO   7           HG2      PRO   7  -7.600   0.294  -3.398
   60    HG3  PRO   7           HG1      PRO   7  -7.103  -0.787  -2.084
   61    HD2  PRO   7           HD2      PRO   7  -7.506   2.162  -2.051
   62    HD3  PRO   7           HD1      PRO   7  -7.734   0.965  -0.766
   63    H    LYS   8           HN       LYS   8  -4.683   3.159  -2.521
   64    HA   LYS   8           HA       LYS   8  -2.206   3.573  -3.755
   65    HB2  LYS   8           HB2      LYS   8  -3.848   5.423  -2.024
   66    HB3  LYS   8           HB1      LYS   8  -2.421   5.942  -2.897
   67    HG2  LYS   8           HG2      LYS   8  -4.829   4.737  -4.203
   68    HG3  LYS   8           HG1      LYS   8  -4.596   6.475  -3.988
   69    HD2  LYS   8           HD2      LYS   8  -2.495   6.303  -5.263
   70    HD3  LYS   8           HD1      LYS   8  -2.814   4.584  -5.512
   71    HE2  LYS   8           HE2      LYS   8  -4.817   5.094  -6.725
   72    HE3  LYS   8           HE1      LYS   8  -4.637   6.807  -6.363
   73    HZ1  LYS   8           HZ1      LYS   8  -3.898   6.260  -8.592
   74    HZ2  LYS   8           HZ2      LYS   8  -2.729   5.205  -7.976
   75    HZ3  LYS   8           HZ3      LYS   8  -2.622   6.847  -7.658
   76    H    ILE   9           HN       ILE   9  -3.103   4.149  -0.412
   77    HA   ILE   9           HA       ILE   9  -0.548   4.894   0.537
   78    HB   ILE   9           HB       ILE   9  -2.913   3.811   2.107
   79   HG12  ILE   9          HG12      ILE   9  -2.247   6.681   1.413
   80   HG13  ILE   9          HG11      ILE   9  -3.505   5.735   0.634
   81   HG21  ILE   9          HG21      ILE   9  -1.971   5.111   3.962
   82   HG22  ILE   9          HG22      ILE   9  -0.608   5.577   2.947
   83   HG23  ILE   9          HG23      ILE   9  -0.834   3.886   3.396
   84   HD11  ILE   9          HD11      ILE   9  -4.692   5.567   2.761
   85   HD12  ILE   9          HD12      ILE   9  -4.418   7.250   2.306
   86   HD13  ILE   9          HD13      ILE   9  -3.412   6.491   3.541
   87    H    LEU  10           HN       LEU  10  -2.393   1.934   0.472
   88    HA   LEU  10           HA       LEU  10  -0.802   0.230   1.982
   89    HB2  LEU  10           HB2      LEU  10  -3.074  -0.272   1.126
   90    HB3  LEU  10           HB1      LEU  10  -2.408  -0.403  -0.484
   91    HG   LEU  10           HG       LEU  10  -1.064  -2.342   0.264
   92   HD11  LEU  10          HD11      LEU  10  -0.945  -1.851   2.646
   93   HD12  LEU  10          HD12      LEU  10  -1.643  -3.446   2.373
   94   HD13  LEU  10          HD13      LEU  10  -2.685  -2.088   2.794
   95   HD21  LEU  10          HD21      LEU  10  -4.046  -2.558   0.652
   96   HD22  LEU  10          HD22      LEU  10  -2.951  -3.908   0.359
   97   HD23  LEU  10          HD23      LEU  10  -3.178  -2.673  -0.880
   98    H    LYS  11           HN       LYS  11  -0.731   0.864  -1.529
   99    HA   LYS  11           HA       LYS  11   1.473  -0.816  -2.012
  100    HB2  LYS  11           HB2      LYS  11   0.422   1.491  -3.639
  101    HB3  LYS  11           HB1      LYS  11   1.692   0.405  -4.180
  102    HG2  LYS  11           HG2      LYS  11   0.133  -1.480  -4.001
  103    HG3  LYS  11           HG1      LYS  11  -1.136  -0.363  -3.505
  104    HD2  LYS  11           HD2      LYS  11  -0.915   0.822  -5.643
  105    HD3  LYS  11           HD1      LYS  11   0.337  -0.319  -6.137
  106    HE2  LYS  11           HE2      LYS  11  -1.267  -2.157  -5.942
  107    HE3  LYS  11           HE1      LYS  11  -2.512  -1.010  -5.456
  108    HZ1  LYS  11           HZ1      LYS  11  -2.261   0.066  -7.636
  109    HZ2  LYS  11           HZ2      LYS  11  -2.734  -1.545  -7.742
  110    HZ3  LYS  11           HZ3      LYS  11  -1.147  -1.131  -8.089
  111    H    ARG  12           HN       ARG  12   1.274   2.599  -1.231
  112    HA   ARG  12           HA       ARG  12   4.006   3.177  -1.601
  113    HB2  ARG  12           HB2      ARG  12   1.846   4.475   0.001
  114    HB3  ARG  12           HB1      ARG  12   3.511   4.835   0.407
  115    HG2  ARG  12           HG2      ARG  12   2.635   6.560  -1.021
  116    HG3  ARG  12           HG1      ARG  12   3.897   5.672  -1.852
  117    HD2  ARG  12           HD2      ARG  12   0.958   5.157  -2.251
  118    HD3  ARG  12           HD1      ARG  12   1.881   6.306  -3.213
  119    HE   ARG  12           HE       ARG  12   3.155   3.815  -3.242
  120   HH11  ARG  12          HH11      ARG  12   0.313   5.452  -4.519
  121   HH12  ARG  12          HH12      ARG  12   0.142   4.477  -5.897
  122   HH21  ARG  12          HH21      ARG  12   2.962   2.445  -5.167
  123   HH22  ARG  12          HH22      ARG  12   1.698   2.700  -6.276
  124    H    ILE  13           HN       ILE  13   2.325   2.367   1.456
  125    HA   ILE  13           HA       ILE  13   4.705   2.207   2.926
  126    HB   ILE  13           HB       ILE  13   2.600   2.444   4.139
  127   HG12  ILE  13          HG12      ILE  13   3.949  -0.177   4.832
  128   HG13  ILE  13          HG11      ILE  13   4.454   1.421   5.361
  129   HG21  ILE  13          HG21      ILE  13   0.996   0.607   4.393
  130   HG22  ILE  13          HG22      ILE  13   1.900  -0.324   3.198
  131   HG23  ILE  13          HG23      ILE  13   1.114   1.183   2.730
  132   HD11  ILE  13          HD11      ILE  13   3.296   0.227   7.131
  133   HD12  ILE  13          HD12      ILE  13   1.879   0.041   6.098
  134   HD13  ILE  13          HD13      ILE  13   2.374   1.647   6.634
  135    H    LEU  14           HN       LEU  14   3.030  -0.270   1.074
  136    HA   LEU  14           HA       LEU  14   4.829  -2.300   1.888
  137    HB2  LEU  14           HB2      LEU  14   2.647  -2.152  -0.113
  138    HB3  LEU  14           HB1      LEU  14   3.867  -3.379  -0.360
  139    HG   LEU  14           HG       LEU  14   1.899  -4.271   0.789
  140   HD11  LEU  14          HD11      LEU  14   4.030  -5.304   1.199
  141   HD12  LEU  14          HD12      LEU  14   3.031  -5.363   2.649
  142   HD13  LEU  14          HD13      LEU  14   4.351  -4.202   2.535
  143   HD21  LEU  14          HD21      LEU  14   1.371  -3.634   3.087
  144   HD22  LEU  14          HD22      LEU  14   1.193  -2.256   1.996
  145   HD23  LEU  14          HD23      LEU  14   2.616  -2.386   3.033
  146    H    ALA  15           HN       ALA  15   5.083   0.192  -0.508
  147    HA   ALA  15           HA       ALA  15   7.168  -1.184  -1.957
  148    HB1  ALA  15           HB1      ALA  15   7.479   0.946  -3.103
  149    HB2  ALA  15           HB2      ALA  15   6.424   1.733  -1.927
  150    HB3  ALA  15           HB3      ALA  15   5.763   0.526  -3.027
  151    H    LYS  16           HN       LYS  16   6.855   0.869   0.732
  152    HA   LYS  16           HA       LYS  16   9.615   1.536   0.983
  153    HB2  LYS  16           HB2      LYS  16   7.835   2.945   1.891
  154    HB3  LYS  16           HB1      LYS  16   7.320   1.637   2.937
  155    HG2  LYS  16           HG2      LYS  16   9.265   1.855   4.290
  156    HG3  LYS  16           HG1      LYS  16  10.023   2.944   3.128
  157    HD2  LYS  16           HD2      LYS  16   9.083   4.142   5.092
  158    HD3  LYS  16           HD1      LYS  16   8.364   4.651   3.567
  159    HE2  LYS  16           HE2      LYS  16   6.429   3.183   4.019
  160    HE3  LYS  16           HE1      LYS  16   7.152   2.729   5.561
  161    HZ1  LYS  16           HZ1      LYS  16   6.372   5.486   4.784
  162    HZ2  LYS  16           HZ2      LYS  16   6.940   4.998   6.310
  163    HZ3  LYS  16           HZ3      LYS  16   5.458   4.465   5.743
  164    H    ILE  17           HN       ILE  17   7.556  -1.044   1.990
  165    HA   ILE  17           HA       ILE  17   9.527  -2.264   3.740
  166    HB   ILE  17           HB       ILE  17   6.925  -3.354   2.616
  167   HG12  ILE  17          HG12      ILE  17   7.527  -2.305   5.384
  168   HG13  ILE  17          HG11      ILE  17   6.701  -1.389   4.130
  169   HG21  ILE  17          HG21      ILE  17   8.435  -5.166   3.208
  170   HG22  ILE  17          HG22      ILE  17   7.098  -5.085   4.356
  171   HG23  ILE  17          HG23      ILE  17   8.685  -4.459   4.804
  172   HD11  ILE  17          HD11      ILE  17   4.878  -2.996   4.143
  173   HD12  ILE  17          HD12      ILE  17   5.148  -2.342   5.758
  174   HD13  ILE  17          HD13      ILE  17   5.721  -3.961   5.352
  175    H    PHE  18           HN       PHE  18   8.050  -2.937   0.568
  176    HA   PHE  18           HA       PHE  18  10.168  -4.870   0.016
  177    HB2  PHE  18           HB2      PHE  18   7.905  -5.844   0.166
  178    HB3  PHE  18           HB1      PHE  18   7.331  -4.713  -1.043
  179    HD1  PHE  18           HD1      PHE  18   7.902  -5.035  -3.409
  180    HD2  PHE  18           HD2      PHE  18   9.196  -7.779  -0.427
  181    HE1  PHE  18           HE1      PHE  18   8.405  -6.688  -5.158
  182    HE2  PHE  18           HE2      PHE  18   9.710  -9.440  -2.187
  183    HZ   PHE  18           HZ       PHE  18   9.310  -8.888  -4.548
  184    H    LYS  19           HN       LYS  19  11.631  -3.631  -0.975
  185    HA   LYS  19           HA       LYS  19  10.793  -2.396  -3.432
  186    HB2  LYS  19           HB2      LYS  19  12.693  -0.755  -3.107
  187    HB3  LYS  19           HB1      LYS  19  11.343  -0.540  -2.018
  188    HG2  LYS  19           HG2      LYS  19  13.889  -1.966  -1.226
  189    HG3  LYS  19           HG1      LYS  19  13.655  -0.237  -1.040
  190    HD2  LYS  19           HD2      LYS  19  11.713  -0.688   0.429
  191    HD3  LYS  19           HD1      LYS  19  12.021  -2.415   0.275
  192    HE2  LYS  19           HE2      LYS  19  14.261  -2.070   1.255
  193    HE3  LYS  19           HE1      LYS  19  13.895  -0.364   1.453
  194    HZ1  LYS  19           HZ1      LYS  19  13.505  -1.499   3.518
  195    HZ2  LYS  19           HZ2      LYS  19  12.519  -2.635   2.775
  196    HZ3  LYS  19           HZ3      LYS  19  12.006  -1.033   2.894
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1 -11.402   6.992   9.611
    2    H3   PRO   1           HT2      PRO   1 -13.015   6.670   9.381
    3    HA   PRO   1           HA       PRO   1 -13.202   8.085   7.556
    4    HB2  PRO   1           HB2      PRO   1 -10.278   8.179   7.219
    5    HB3  PRO   1           HB1      PRO   1 -11.487   9.418   6.854
    6    HG2  PRO   1           HG2      PRO   1  -9.855   9.597   8.995
    7    HG3  PRO   1           HG1      PRO   1 -11.514  10.213   9.020
    8    HD2  PRO   1           HD2      PRO   1 -10.337   7.832  10.281
    9    HD3  PRO   1           HD1      PRO   1 -11.651   8.803  10.851
   10    H    MET   2           HN       MET   2 -12.081   7.350   5.368
   11    HA   MET   2           HA       MET   2 -11.863   4.453   5.478
   12    HB2  MET   2           HB2      MET   2 -12.099   6.379   3.160
   13    HB3  MET   2           HB1      MET   2 -11.913   4.645   2.978
   14    HG2  MET   2           HG2      MET   2 -14.019   4.296   4.144
   15    HG3  MET   2           HG1      MET   2 -14.199   6.039   4.333
   16    HE1  MET   2           HE1      MET   2 -16.905   4.991   1.650
   17    HE2  MET   2           HE2      MET   2 -16.644   5.712   3.240
   18    HE3  MET   2           HE3      MET   2 -16.329   3.997   2.988
   19    H    ALA   3           HN       ALA   3  -9.880   3.772   5.900
   20    HA   ALA   3           HA       ALA   3  -7.618   5.207   4.695
   21    HB1  ALA   3           HB1      ALA   3  -7.557   5.021   7.141
   22    HB2  ALA   3           HB2      ALA   3  -6.220   4.147   6.392
   23    HB3  ALA   3           HB3      ALA   3  -7.617   3.263   7.005
   24    H    ARG   4           HN       ARG   4  -8.804   1.946   5.361
   25    HA   ARG   4           HA       ARG   4  -6.799   0.678   3.770
   26    HB2  ARG   4           HB2      ARG   4  -9.365  -0.403   4.932
   27    HB3  ARG   4           HB1      ARG   4  -8.117  -1.383   4.176
   28    HG2  ARG   4           HG2      ARG   4  -6.525  -0.712   5.888
   29    HG3  ARG   4           HG1      ARG   4  -7.745   0.322   6.631
   30    HD2  ARG   4           HD2      ARG   4  -7.557  -1.782   7.835
   31    HD3  ARG   4           HD1      ARG   4  -9.136  -1.643   7.060
   32    HE   ARG   4           HE       ARG   4  -7.484  -2.966   5.300
   33   HH11  ARG   4          HH11      ARG   4  -8.652  -3.583   8.575
   34   HH12  ARG   4          HH12      ARG   4  -8.771  -5.260   8.379
   35   HH21  ARG   4          HH21      ARG   4  -7.623  -5.260   5.021
   36   HH22  ARG   4          HH22      ARG   4  -8.172  -6.245   6.309
   37    H    ASN   5           HN       ASN   5  -9.731   2.166   3.067
   38    HA   ASN   5           HA       ASN   5 -10.388   0.705   0.690
   39    HB2  ASN   5           HB2      ASN   5 -12.044   2.047   2.070
   40    HB3  ASN   5           HB1      ASN   5 -11.259   3.498   1.460
   41   HD21  ASN   5          HD21      ASN   5 -13.184   4.213   0.506
   42   HD22  ASN   5          HD22      ASN   5 -13.800   3.496  -0.928
   43    H    LYS   6           HN       LYS   6  -7.926   2.907   1.440
   44    HA   LYS   6           HA       LYS   6  -7.641   3.829  -1.307
   45    HB2  LYS   6           HB2      LYS   6  -6.166   4.567   1.214
   46    HB3  LYS   6           HB1      LYS   6  -5.946   5.309  -0.361
   47    HG2  LYS   6           HG2      LYS   6  -8.141   6.249  -0.285
   48    HG3  LYS   6           HG1      LYS   6  -8.511   5.373   1.208
   49    HD2  LYS   6           HD2      LYS   6  -6.809   6.571   2.382
   50    HD3  LYS   6           HD1      LYS   6  -6.288   7.344   0.885
   51    HE2  LYS   6           HE2      LYS   6  -8.462   8.488   0.738
   52    HE3  LYS   6           HE1      LYS   6  -8.986   7.675   2.210
   53    HZ1  LYS   6           HZ1      LYS   6  -6.707   9.573   2.042
   54    HZ2  LYS   6           HZ2      LYS   6  -7.273   8.838   3.435
   55    HZ3  LYS   6           HZ3      LYS   6  -8.230   9.966   2.643
   56    HA   PRO   7           HA       PRO   7  -4.711   0.238  -1.139
   57    HB2  PRO   7           HB2      PRO   7  -4.568  -0.074  -3.855
   58    HB3  PRO   7           HB1      PRO   7  -5.786  -0.850  -2.840
   59    HG2  PRO   7           HG2      PRO   7  -5.993   1.639  -4.477
   60    HG3  PRO   7           HG1      PRO   7  -7.165   0.319  -4.294
   61    HD2  PRO   7           HD2      PRO   7  -7.455   2.634  -2.985
   62    HD3  PRO   7           HD1      PRO   7  -7.896   1.091  -2.243
   63    H    LYS   8           HN       LYS   8  -4.583   3.327  -2.703
   64    HA   LYS   8           HA       LYS   8  -1.960   3.154  -3.699
   65    HB2  LYS   8           HB2      LYS   8  -1.950   5.605  -3.796
   66    HB3  LYS   8           HB1      LYS   8  -3.434   4.943  -4.450
   67    HG2  LYS   8           HG2      LYS   8  -4.579   5.519  -2.320
   68    HG3  LYS   8           HG1      LYS   8  -3.073   6.234  -1.750
   69    HD2  LYS   8           HD2      LYS   8  -3.091   7.819  -3.587
   70    HD3  LYS   8           HD1      LYS   8  -4.555   7.074  -4.227
   71    HE2  LYS   8           HE2      LYS   8  -5.768   7.712  -2.201
   72    HE3  LYS   8           HE1      LYS   8  -4.305   8.449  -1.554
   73    HZ1  LYS   8           HZ1      LYS   8  -5.775  10.107  -2.556
   74    HZ2  LYS   8           HZ2      LYS   8  -5.713   9.305  -4.029
   75    HZ3  LYS   8           HZ3      LYS   8  -4.320  10.009  -3.405
   76    H    ILE   9           HN       ILE   9  -3.167   4.118  -0.504
   77    HA   ILE   9           HA       ILE   9  -0.546   4.874   0.350
   78    HB   ILE   9           HB       ILE   9  -1.424   5.114   2.612
   79   HG12  ILE   9          HG12      ILE   9  -4.017   3.888   1.617
   80   HG13  ILE   9          HG11      ILE   9  -2.856   3.070   2.653
   81   HG21  ILE   9          HG21      ILE   9  -3.401   6.123   0.577
   82   HG22  ILE   9          HG22      ILE   9  -1.912   6.919   1.083
   83   HG23  ILE   9          HG23      ILE   9  -3.240   6.724   2.227
   84   HD11  ILE   9          HD11      ILE   9  -4.742   3.921   3.930
   85   HD12  ILE   9          HD12      ILE   9  -4.408   5.555   3.356
   86   HD13  ILE   9          HD13      ILE   9  -3.249   4.733   4.403
   87    H    LEU  10           HN       LEU  10  -2.475   2.029   0.401
   88    HA   LEU  10           HA       LEU  10  -0.891   0.481   2.153
   89    HB2  LEU  10           HB2      LEU  10  -2.719  -0.421  -0.070
   90    HB3  LEU  10           HB1      LEU  10  -2.081  -1.446   1.196
   91    HG   LEU  10           HG       LEU  10  -4.001   0.854   1.594
   92   HD11  LEU  10          HD11      LEU  10  -5.041  -1.049   0.500
   93   HD12  LEU  10          HD12      LEU  10  -5.614  -0.886   2.158
   94   HD13  LEU  10          HD13      LEU  10  -4.421  -2.120   1.755
   95   HD21  LEU  10          HD21      LEU  10  -2.540   0.578   3.532
   96   HD22  LEU  10          HD22      LEU  10  -2.899  -1.147   3.573
   97   HD23  LEU  10          HD23      LEU  10  -4.174   0.025   3.903
   98    H    LYS  11           HN       LYS  11  -0.886   0.940  -1.336
   99    HA   LYS  11           HA       LYS  11   1.133  -0.941  -1.923
  100    HB2  LYS  11           HB2      LYS  11  -0.332  -0.133  -3.674
  101    HB3  LYS  11           HB1      LYS  11   0.192   1.520  -3.410
  102    HG2  LYS  11           HG2      LYS  11   1.181   0.627  -5.432
  103    HG3  LYS  11           HG1      LYS  11   2.428   0.936  -4.228
  104    HD2  LYS  11           HD2      LYS  11   2.431  -1.469  -3.655
  105    HD3  LYS  11           HD1      LYS  11   1.221  -1.747  -4.914
  106    HE2  LYS  11           HE2      LYS  11   2.789  -0.881  -6.591
  107    HE3  LYS  11           HE1      LYS  11   3.985  -0.626  -5.325
  108    HZ1  LYS  11           HZ1      LYS  11   4.372  -2.666  -6.542
  109    HZ2  LYS  11           HZ2      LYS  11   2.871  -3.264  -6.122
  110    HZ3  LYS  11           HZ3      LYS  11   4.037  -2.999  -4.933
  111    H    ARG  12           HN       ARG  12   1.221   2.551  -1.294
  112    HA   ARG  12           HA       ARG  12   3.966   2.839  -1.772
  113    HB2  ARG  12           HB2      ARG  12   2.187   4.511   0.001
  114    HB3  ARG  12           HB1      ARG  12   3.821   4.950  -0.476
  115    HG2  ARG  12           HG2      ARG  12   3.085   4.900  -2.844
  116    HG3  ARG  12           HG1      ARG  12   1.439   4.611  -2.283
  117    HD2  ARG  12           HD2      ARG  12   1.719   6.959  -2.733
  118    HD3  ARG  12           HD1      ARG  12   1.558   6.713  -0.993
  119    HE   ARG  12           HE       ARG  12   4.251   6.785  -2.020
  120   HH11  ARG  12          HH11      ARG  12   1.649   8.632  -0.519
  121   HH12  ARG  12          HH12      ARG  12   2.646   9.892   0.027
  122   HH21  ARG  12          HH21      ARG  12   5.624   8.508  -1.287
  123   HH22  ARG  12          HH22      ARG  12   4.989   9.827  -0.422
  124    H    ILE  13           HN       ILE  13   2.250   2.363   1.329
  125    HA   ILE  13           HA       ILE  13   4.640   2.293   2.816
  126    HB   ILE  13           HB       ILE  13   3.379   1.268   4.659
  127   HG12  ILE  13          HG12      ILE  13   1.078   1.106   2.696
  128   HG13  ILE  13          HG11      ILE  13   1.978  -0.270   3.315
  129   HG21  ILE  13          HG21      ILE  13   3.245   3.668   4.359
  130   HG22  ILE  13          HG22      ILE  13   1.711   3.044   4.968
  131   HG23  ILE  13          HG23      ILE  13   1.873   3.475   3.266
  132   HD11  ILE  13          HD11      ILE  13   1.173   0.228   5.566
  133   HD12  ILE  13          HD12      ILE  13  -0.157  -0.037   4.437
  134   HD13  ILE  13          HD13      ILE  13   0.266   1.602   4.934
  135    H    LEU  14           HN       LEU  14   3.047  -0.122   0.924
  136    HA   LEU  14           HA       LEU  14   4.447  -2.379   1.932
  137    HB2  LEU  14           HB2      LEU  14   2.401  -2.565   0.556
  138    HB3  LEU  14           HB1      LEU  14   3.263  -1.880  -0.801
  139    HG   LEU  14           HG       LEU  14   4.766  -3.863  -0.791
  140   HD11  LEU  14          HD11      LEU  14   4.078  -5.857   0.433
  141   HD12  LEU  14          HD12      LEU  14   2.818  -4.926   1.244
  142   HD13  LEU  14          HD13      LEU  14   4.517  -4.542   1.522
  143   HD21  LEU  14          HD21      LEU  14   1.821  -4.425  -1.084
  144   HD22  LEU  14          HD22      LEU  14   3.127  -5.388  -1.777
  145   HD23  LEU  14          HD23      LEU  14   2.876  -3.727  -2.313
  146    H    ALA  15           HN       ALA  15   5.082   0.105  -0.490
  147    HA   ALA  15           HA       ALA  15   7.364  -1.225  -1.556
  148    HB1  ALA  15           HB1      ALA  15   6.502   1.658  -1.792
  149    HB2  ALA  15           HB2      ALA  15   6.055   0.357  -2.895
  150    HB3  ALA  15           HB3      ALA  15   7.738   0.868  -2.769
  151    H    LYS  16           HN       LYS  16   6.709   0.804   1.066
  152    HA   LYS  16           HA       LYS  16   9.421   1.699   1.475
  153    HB2  LYS  16           HB2      LYS  16   7.456   3.068   2.094
  154    HB3  LYS  16           HB1      LYS  16   7.023   1.871   3.303
  155    HG2  LYS  16           HG2      LYS  16   9.175   2.308   4.457
  156    HG3  LYS  16           HG1      LYS  16   9.511   3.579   3.282
  157    HD2  LYS  16           HD2      LYS  16   7.169   3.491   5.188
  158    HD3  LYS  16           HD1      LYS  16   8.596   4.510   5.357
  159    HE2  LYS  16           HE2      LYS  16   8.019   5.660   3.263
  160    HE3  LYS  16           HE1      LYS  16   6.602   4.631   3.088
  161    HZ1  LYS  16           HZ1      LYS  16   6.004   6.752   3.991
  162    HZ2  LYS  16           HZ2      LYS  16   7.064   6.581   5.284
  163    HZ3  LYS  16           HZ3      LYS  16   5.722   5.568   5.148
  164    H    ILE  17           HN       ILE  17   7.156  -0.487   3.117
  165    HA   ILE  17           HA       ILE  17   9.073  -1.268   5.084
  166    HB   ILE  17           HB       ILE  17   6.351  -2.444   4.447
  167   HG12  ILE  17          HG12      ILE  17   7.171  -0.477   6.600
  168   HG13  ILE  17          HG11      ILE  17   6.314  -0.052   5.125
  169   HG21  ILE  17          HG21      ILE  17   7.748  -4.030   5.670
  170   HG22  ILE  17          HG22      ILE  17   6.449  -3.419   6.696
  171   HG23  ILE  17          HG23      ILE  17   8.087  -2.805   6.894
  172   HD11  ILE  17          HD11      ILE  17   4.419  -1.427   5.841
  173   HD12  ILE  17          HD12      ILE  17   4.803  -0.180   7.027
  174   HD13  ILE  17          HD13      ILE  17   5.287  -1.851   7.316
  175    H    PHE  18           HN       PHE  18   7.658  -2.873   2.231
  176    HA   PHE  18           HA       PHE  18   9.168  -5.269   2.833
  177    HB2  PHE  18           HB2      PHE  18   6.795  -5.481   2.276
  178    HB3  PHE  18           HB1      PHE  18   7.072  -4.694   0.733
  179    HD1  PHE  18           HD1      PHE  18   7.362  -6.015  -1.138
  180    HD2  PHE  18           HD2      PHE  18   8.179  -7.651   2.702
  181    HE1  PHE  18           HE1      PHE  18   7.726  -8.218  -2.158
  182    HE2  PHE  18           HE2      PHE  18   8.547  -9.853   1.687
  183    HZ   PHE  18           HZ       PHE  18   8.318 -10.139  -0.747
  184    H    LYS  19           HN       LYS  19  11.236  -4.966   2.313
  185    HA   LYS  19           HA       LYS  19  11.781  -4.496  -0.484
  186    HB2  LYS  19           HB2      LYS  19  13.978  -3.319   0.431
  187    HB3  LYS  19           HB1      LYS  19  12.486  -2.425   0.231
  188    HG2  LYS  19           HG2      LYS  19  13.402  -1.751   2.321
  189    HG3  LYS  19           HG1      LYS  19  12.048  -2.805   2.694
  190    HD2  LYS  19           HD2      LYS  19  13.649  -4.665   3.053
  191    HD3  LYS  19           HD1      LYS  19  14.968  -3.540   2.737
  192    HE2  LYS  19           HE2      LYS  19  14.691  -3.811   5.122
  193    HE3  LYS  19           HE1      LYS  19  14.235  -2.176   4.649
  194    HZ1  LYS  19           HZ1      LYS  19  11.902  -2.840   4.759
  195    HZ2  LYS  19           HZ2      LYS  19  12.665  -3.107   6.219
  196    HZ3  LYS  19           HZ3      LYS  19  12.337  -4.401   5.199
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1 -18.708  -4.346   2.845
    2    H3   PRO   1           HT2      PRO   1 -19.405  -5.598   2.093
    3    HA   PRO   1           HA       PRO   1 -17.244  -5.224   1.224
    4    HB2  PRO   1           HB2      PRO   1 -18.149  -4.100  -1.119
    5    HB3  PRO   1           HB1      PRO   1 -18.274  -5.816  -0.713
    6    HG2  PRO   1           HG2      PRO   1 -20.331  -3.661  -0.463
    7    HG3  PRO   1           HG1      PRO   1 -20.535  -5.356  -0.938
    8    HD2  PRO   1           HD2      PRO   1 -21.258  -4.557   1.474
    9    HD3  PRO   1           HD1      PRO   1 -20.509  -6.116   1.200
   10    H    MET   2           HN       MET   2 -15.780  -3.752   1.876
   11    HA   MET   2           HA       MET   2 -15.866  -1.117   0.736
   12    HB2  MET   2           HB2      MET   2 -15.568   0.030   2.923
   13    HB3  MET   2           HB1      MET   2 -17.160  -0.687   2.749
   14    HG2  MET   2           HG2      MET   2 -16.446  -2.584   4.138
   15    HG3  MET   2           HG1      MET   2 -14.863  -1.844   4.328
   16    HE1  MET   2           HE1      MET   2 -15.599   1.214   4.663
   17    HE2  MET   2           HE2      MET   2 -14.445   0.407   5.728
   18    HE3  MET   2           HE3      MET   2 -15.754   1.372   6.412
   19    H    ALA   3           HN       ALA   3 -13.827  -0.373   0.396
   20    HA   ALA   3           HA       ALA   3 -11.657  -2.136   1.059
   21    HB1  ALA   3           HB1      ALA   3 -11.723  -1.030  -1.145
   22    HB2  ALA   3           HB2      ALA   3 -10.293  -0.542  -0.236
   23    HB3  ALA   3           HB3      ALA   3 -11.672   0.548  -0.354
   24    H    ARG   4           HN       ARG   4 -10.565  -1.972   2.882
   25    HA   ARG   4           HA       ARG   4 -11.177   0.195   4.669
   26    HB2  ARG   4           HB2      ARG   4  -9.320  -2.154   5.101
   27    HB3  ARG   4           HB1      ARG   4  -9.936  -1.056   6.318
   28    HG2  ARG   4           HG2      ARG   4 -11.538  -3.050   4.732
   29    HG3  ARG   4           HG1      ARG   4 -11.116  -3.153   6.439
   30    HD2  ARG   4           HD2      ARG   4 -12.936  -1.163   5.109
   31    HD3  ARG   4           HD1      ARG   4 -13.382  -2.416   6.263
   32    HE   ARG   4           HE       ARG   4 -11.608  -0.196   6.996
   33   HH11  ARG   4          HH11      ARG   4 -14.519  -2.122   7.651
   34   HH12  ARG   4          HH12      ARG   4 -14.913  -1.276   9.063
   35   HH21  ARG   4          HH21      ARG   4 -12.203   1.005   8.900
   36   HH22  ARG   4          HH22      ARG   4 -13.564   0.555   9.797
   37    H    ASN   5           HN       ASN   5  -8.137  -1.316   3.967
   38    HA   ASN   5           HA       ASN   5  -6.745   1.185   4.328
   39    HB2  ASN   5           HB2      ASN   5  -5.770  -0.897   5.209
   40    HB3  ASN   5           HB1      ASN   5  -5.723  -1.576   3.589
   41   HD21  ASN   5          HD21      ASN   5  -3.489  -1.908   3.971
   42   HD22  ASN   5          HD22      ASN   5  -2.354  -0.626   3.793
   43    H    LYS   6           HN       LYS   6  -6.496   2.561   2.786
   44    HA   LYS   6           HA       LYS   6  -7.563   2.168   0.218
   45    HB2  LYS   6           HB2      LYS   6  -5.634   4.354   1.020
   46    HB3  LYS   6           HB1      LYS   6  -6.791   4.393  -0.299
   47    HG2  LYS   6           HG2      LYS   6  -7.442   4.325   2.637
   48    HG3  LYS   6           HG1      LYS   6  -7.548   5.729   1.583
   49    HD2  LYS   6           HD2      LYS   6  -9.307   4.679   0.301
   50    HD3  LYS   6           HD1      LYS   6  -9.132   3.187   1.230
   51    HE2  LYS   6           HE2      LYS   6  -9.963   5.860   2.339
   52    HE3  LYS   6           HE1      LYS   6 -11.043   4.511   2.007
   53    HZ1  LYS   6           HZ1      LYS   6  -9.711   3.199   3.653
   54    HZ2  LYS   6           HZ2      LYS   6 -10.532   4.493   4.302
   55    HZ3  LYS   6           HZ3      LYS   6  -8.883   4.619   4.041
   56    HA   PRO   7           HA       PRO   7  -4.442  -0.331  -1.715
   57    HB2  PRO   7           HB2      PRO   7  -5.471   1.147  -4.098
   58    HB3  PRO   7           HB1      PRO   7  -5.168  -0.584  -3.895
   59    HG2  PRO   7           HG2      PRO   7  -7.640   0.354  -3.759
   60    HG3  PRO   7           HG1      PRO   7  -7.097  -0.908  -2.641
   61    HD2  PRO   7           HD2      PRO   7  -7.583   1.987  -2.135
   62    HD3  PRO   7           HD1      PRO   7  -7.776   0.590  -1.057
   63    H    LYS   8           HN       LYS   8  -4.664   3.089  -2.445
   64    HA   LYS   8           HA       LYS   8  -2.179   3.283  -3.809
   65    HB2  LYS   8           HB2      LYS   8  -3.770   5.456  -2.451
   66    HB3  LYS   8           HB1      LYS   8  -2.480   5.704  -3.617
   67    HG2  LYS   8           HG2      LYS   8  -3.805   4.667  -5.344
   68    HG3  LYS   8           HG1      LYS   8  -5.068   4.280  -4.173
   69    HD2  LYS   8           HD2      LYS   8  -5.342   6.706  -3.748
   70    HD3  LYS   8           HD1      LYS   8  -4.171   7.028  -5.023
   71    HE2  LYS   8           HE2      LYS   8  -5.614   5.927  -6.654
   72    HE3  LYS   8           HE1      LYS   8  -6.773   5.544  -5.384
   73    HZ1  LYS   8           HZ1      LYS   8  -7.458   7.487  -6.631
   74    HZ2  LYS   8           HZ2      LYS   8  -6.010   8.272  -6.256
   75    HZ3  LYS   8           HZ3      LYS   8  -7.098   7.917  -5.037
   76    H    ILE   9           HN       ILE   9  -3.115   4.406  -0.498
   77    HA   ILE   9           HA       ILE   9  -0.412   4.889   0.163
   78    HB   ILE   9           HB       ILE   9  -2.280   6.064   1.354
   79   HG12  ILE   9          HG12      ILE   9  -1.350   5.922   3.652
   80   HG13  ILE   9          HG11      ILE   9  -0.450   4.489   3.174
   81   HG21  ILE   9          HG21      ILE   9  -3.552   4.968   3.105
   82   HG22  ILE   9          HG22      ILE   9  -2.720   3.450   2.776
   83   HG23  ILE   9          HG23      ILE   9  -3.795   4.135   1.563
   84   HD11  ILE   9          HD11      ILE   9   0.954   6.474   3.194
   85   HD12  ILE   9          HD12      ILE   9  -0.103   7.249   2.012
   86   HD13  ILE   9          HD13      ILE   9   0.821   5.813   1.568
   87    H    LEU  10           HN       LEU  10  -2.504   2.140   0.454
   88    HA   LEU  10           HA       LEU  10  -1.106   0.421   2.122
   89    HB2  LEU  10           HB2      LEU  10  -3.344   0.026   1.062
   90    HB3  LEU  10           HB1      LEU  10  -2.551  -0.228  -0.465
   91    HG   LEU  10           HG       LEU  10  -2.208  -2.062   1.934
   92   HD11  LEU  10          HD11      LEU  10  -4.529  -2.003   1.229
   93   HD12  LEU  10          HD12      LEU  10  -3.782  -3.538   0.788
   94   HD13  LEU  10          HD13      LEU  10  -4.046  -2.302  -0.440
   95   HD21  LEU  10          HD21      LEU  10  -1.626  -2.501  -1.008
   96   HD22  LEU  10          HD22      LEU  10  -1.414  -3.691   0.276
   97   HD23  LEU  10          HD23      LEU  10  -0.408  -2.243   0.240
   98    H    LYS  11           HN       LYS  11  -0.835   0.936  -1.337
   99    HA   LYS  11           HA       LYS  11   1.283  -0.819  -1.850
  100    HB2  LYS  11           HB2      LYS  11  -0.288   0.037  -3.527
  101    HB3  LYS  11           HB1      LYS  11   0.390   1.637  -3.333
  102    HG2  LYS  11           HG2      LYS  11   2.462   0.952  -4.294
  103    HG3  LYS  11           HG1      LYS  11   1.947  -0.741  -4.310
  104    HD2  LYS  11           HD2      LYS  11   0.105  -0.155  -5.807
  105    HD3  LYS  11           HD1      LYS  11   0.652   1.521  -5.806
  106    HE2  LYS  11           HE2      LYS  11   2.668   0.936  -6.904
  107    HE3  LYS  11           HE1      LYS  11   2.343  -0.789  -6.715
  108    HZ1  LYS  11           HZ1      LYS  11   0.717   1.090  -8.344
  109    HZ2  LYS  11           HZ2      LYS  11   0.448  -0.561  -8.153
  110    HZ3  LYS  11           HZ3      LYS  11   1.833  -0.032  -8.939
  111    H    ARG  12           HN       ARG  12   1.162   2.606  -1.070
  112    HA   ARG  12           HA       ARG  12   3.893   3.114  -1.492
  113    HB2  ARG  12           HB2      ARG  12   1.651   4.597  -0.625
  114    HB3  ARG  12           HB1      ARG  12   2.888   4.781   0.615
  115    HG2  ARG  12           HG2      ARG  12   3.089   6.548  -0.997
  116    HG3  ARG  12           HG1      ARG  12   4.487   5.481  -1.134
  117    HD2  ARG  12           HD2      ARG  12   3.760   6.004  -3.339
  118    HD3  ARG  12           HD1      ARG  12   3.311   4.333  -3.025
  119    HE   ARG  12           HE       ARG  12   1.208   6.106  -2.352
  120   HH11  ARG  12          HH11      ARG  12   2.679   4.419  -5.092
  121   HH12  ARG  12          HH12      ARG  12   1.351   4.643  -6.123
  122   HH21  ARG  12          HH21      ARG  12  -0.578   6.411  -3.730
  123   HH22  ARG  12          HH22      ARG  12  -0.574   5.828  -5.341
  124    H    ILE  13           HN       ILE  13   2.145   2.370   1.510
  125    HA   ILE  13           HA       ILE  13   4.343   2.340   3.249
  126    HB   ILE  13           HB       ILE  13   1.849   0.598   3.399
  127   HG12  ILE  13          HG12      ILE  13   2.354   3.280   4.709
  128   HG13  ILE  13          HG11      ILE  13   1.432   3.075   3.225
  129   HG21  ILE  13          HG21      ILE  13   2.301   0.527   5.813
  130   HG22  ILE  13          HG22      ILE  13   3.768   1.473   5.566
  131   HG23  ILE  13          HG23      ILE  13   3.645  -0.152   4.893
  132   HD11  ILE  13          HD11      ILE  13  -0.013   3.308   5.183
  133   HD12  ILE  13          HD12      ILE  13   0.727   1.871   5.897
  134   HD13  ILE  13          HD13      ILE  13  -0.209   1.736   4.411
  135    H    LEU  14           HN       LEU  14   2.898  -0.176   1.282
  136    HA   LEU  14           HA       LEU  14   4.582  -2.290   2.018
  137    HB2  LEU  14           HB2      LEU  14   2.410  -2.581   0.919
  138    HB3  LEU  14           HB1      LEU  14   3.029  -1.818  -0.526
  139    HG   LEU  14           HG       LEU  14   4.608  -3.710  -0.809
  140   HD11  LEU  14          HD11      LEU  14   3.098  -4.913   1.502
  141   HD12  LEU  14          HD12      LEU  14   4.795  -4.431   1.500
  142   HD13  LEU  14          HD13      LEU  14   4.253  -5.760   0.476
  143   HD21  LEU  14          HD21      LEU  14   1.695  -4.463  -0.614
  144   HD22  LEU  14          HD22      LEU  14   2.922  -5.330  -1.536
  145   HD23  LEU  14          HD23      LEU  14   2.479  -3.685  -1.988
  146    H    ALA  15           HN       ALA  15   4.960   0.362  -0.287
  147    HA   ALA  15           HA       ALA  15   6.969  -0.897  -1.854
  148    HB1  ALA  15           HB1      ALA  15   6.269   2.030  -1.664
  149    HB2  ALA  15           HB2      ALA  15   5.509   0.867  -2.750
  150    HB3  ALA  15           HB3      ALA  15   7.218   1.260  -2.934
  151    H    LYS  16           HN       LYS  16   7.006   0.612   1.140
  152    HA   LYS  16           HA       LYS  16   9.761   1.407   0.983
  153    HB2  LYS  16           HB2      LYS  16   7.869   1.244   3.331
  154    HB3  LYS  16           HB1      LYS  16   9.545   1.761   3.481
  155    HG2  LYS  16           HG2      LYS  16   9.123   3.595   1.915
  156    HG3  LYS  16           HG1      LYS  16   7.450   3.074   1.768
  157    HD2  LYS  16           HD2      LYS  16   8.734   3.967   4.357
  158    HD3  LYS  16           HD1      LYS  16   7.809   5.026   3.297
  159    HE2  LYS  16           HE2      LYS  16   5.862   3.550   3.574
  160    HE3  LYS  16           HE1      LYS  16   6.782   2.559   4.712
  161    HZ1  LYS  16           HZ1      LYS  16   7.003   4.551   6.120
  162    HZ2  LYS  16           HZ2      LYS  16   5.390   4.127   5.892
  163    HZ3  LYS  16           HZ3      LYS  16   6.037   5.420   5.044
  164    H    ILE  17           HN       ILE  17   8.011  -1.401   2.041
  165    HA   ILE  17           HA       ILE  17  10.531  -2.573   2.932
  166    HB   ILE  17           HB       ILE  17   8.708  -3.006   4.476
  167   HG12  ILE  17          HG12      ILE  17   9.352  -5.552   2.977
  168   HG13  ILE  17          HG11      ILE  17  10.373  -4.804   4.194
  169   HG21  ILE  17          HG21      ILE  17   6.796  -2.780   3.023
  170   HG22  ILE  17          HG22      ILE  17   6.712  -4.313   3.896
  171   HG23  ILE  17          HG23      ILE  17   7.208  -4.288   2.204
  172   HD11  ILE  17          HD11      ILE  17   9.155  -6.684   5.113
  173   HD12  ILE  17          HD12      ILE  17   7.623  -5.943   4.646
  174   HD13  ILE  17          HD13      ILE  17   8.635  -5.181   5.875
  175    H    PHE  18           HN       PHE  18   7.964  -3.156   0.619
  176    HA   PHE  18           HA       PHE  18   9.524  -5.088  -0.852
  177    HB2  PHE  18           HB2      PHE  18   7.149  -5.566  -0.388
  178    HB3  PHE  18           HB1      PHE  18   6.689  -4.016  -1.055
  179    HD1  PHE  18           HD1      PHE  18   6.021  -3.867  -3.269
  180    HD2  PHE  18           HD2      PHE  18   8.185  -7.290  -1.976
  181    HE1  PHE  18           HE1      PHE  18   5.562  -4.959  -5.421
  182    HE2  PHE  18           HE2      PHE  18   7.731  -8.382  -4.135
  183    HZ   PHE  18           HZ       PHE  18   6.425  -7.225  -5.853
  184    H    LYS  19           HN       LYS  19  11.159  -3.452  -1.310
  185    HA   LYS  19           HA       LYS  19  10.614  -1.061  -2.625
  186    HB2  LYS  19           HB2      LYS  19  13.082  -2.726  -2.362
  187    HB3  LYS  19           HB1      LYS  19  13.003  -1.028  -2.815
  188    HG2  LYS  19           HG2      LYS  19  12.320  -0.368  -0.667
  189    HG3  LYS  19           HG1      LYS  19  11.936  -2.030  -0.194
  190    HD2  LYS  19           HD2      LYS  19  14.204  -2.652  -0.285
  191    HD3  LYS  19           HD1      LYS  19  14.632  -1.110  -1.005
  192    HE2  LYS  19           HE2      LYS  19  15.271  -1.265   1.320
  193    HE3  LYS  19           HE1      LYS  19  14.062   0.008   1.115
  194    HZ1  LYS  19           HZ1      LYS  19  13.524  -2.757   2.094
  195    HZ2  LYS  19           HZ2      LYS  19  12.413  -1.455   2.063
  196    HZ3  LYS  19           HZ3      LYS  19  13.745  -1.416   3.070
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1 -13.855  14.490  -1.168
    2    H3   PRO   1           HT2      PRO   1 -12.754  15.564  -0.741
    3    HA   PRO   1           HA       PRO   1 -11.984  14.378  -2.604
    4    HB2  PRO   1           HB2      PRO   1 -10.388  12.615  -1.108
    5    HB3  PRO   1           HB1      PRO   1  -9.962  14.251  -1.625
    6    HG2  PRO   1           HG2      PRO   1 -11.006  13.314   0.993
    7    HG3  PRO   1           HG1      PRO   1  -9.931  14.671   0.635
    8    HD2  PRO   1           HD2      PRO   1 -12.470  15.108   1.309
    9    HD3  PRO   1           HD1      PRO   1 -11.631  16.084   0.105
   10    H    MET   2           HN       MET   2 -11.253  12.056  -3.292
   11    HA   MET   2           HA       MET   2 -13.511  10.255  -2.807
   12    HB2  MET   2           HB2      MET   2 -11.453  10.296  -5.022
   13    HB3  MET   2           HB1      MET   2 -12.747   9.119  -4.880
   14    HG2  MET   2           HG2      MET   2 -14.396  10.903  -5.131
   15    HG3  MET   2           HG1      MET   2 -13.097  12.081  -5.263
   16    HE1  MET   2           HE1      MET   2 -11.407  11.079  -8.667
   17    HE2  MET   2           HE2      MET   2 -10.939  10.512  -7.067
   18    HE3  MET   2           HE3      MET   2 -11.388  12.202  -7.305
   19    H    ALA   3           HN       ALA   3 -13.085   8.927  -1.219
   20    HA   ALA   3           HA       ALA   3 -12.211   7.350   0.078
   21    HB1  ALA   3           HB1      ALA   3 -10.549   5.781  -0.766
   22    HB2  ALA   3           HB2      ALA   3 -10.158   6.875  -2.091
   23    HB3  ALA   3           HB3      ALA   3 -11.749   6.114  -2.017
   24    H    ARG   4           HN       ARG   4 -11.348   7.922   1.895
   25    HA   ARG   4           HA       ARG   4  -9.238   9.835   2.042
   26    HB2  ARG   4           HB2      ARG   4 -10.565   8.155   4.165
   27    HB3  ARG   4           HB1      ARG   4  -9.323   9.344   4.514
   28    HG2  ARG   4           HG2      ARG   4 -10.765  11.097   3.580
   29    HG3  ARG   4           HG1      ARG   4 -12.018   9.893   3.282
   30    HD2  ARG   4           HD2      ARG   4 -12.450  11.109   5.352
   31    HD3  ARG   4           HD1      ARG   4 -12.123   9.405   5.670
   32    HE   ARG   4           HE       ARG   4  -9.725  10.808   5.849
   33   HH11  ARG   4          HH11      ARG   4 -12.791  10.608   7.597
   34   HH12  ARG   4          HH12      ARG   4 -12.135  10.970   9.124
   35   HH21  ARG   4          HH21      ARG   4  -8.779  11.253   7.966
   36   HH22  ARG   4          HH22      ARG   4  -9.772  11.326   9.339
   37    H    ASN   5           HN       ASN   5  -9.464   6.539   3.142
   38    HA   ASN   5           HA       ASN   5  -6.564   6.390   2.997
   39    HB2  ASN   5           HB2      ASN   5  -7.660   5.562   5.079
   40    HB3  ASN   5           HB1      ASN   5  -8.507   4.352   4.125
   41   HD21  ASN   5          HD21      ASN   5  -5.405   5.390   5.296
   42   HD22  ASN   5          HD22      ASN   5  -4.598   3.875   5.130
   43    H    LYS   6           HN       LYS   6  -6.334   6.404   0.906
   44    HA   LYS   6           HA       LYS   6  -7.717   4.749  -0.942
   45    HB2  LYS   6           HB2      LYS   6  -5.146   6.301  -1.168
   46    HB3  LYS   6           HB1      LYS   6  -5.940   5.501  -2.511
   47    HG2  LYS   6           HG2      LYS   6  -7.859   6.944  -2.283
   48    HG3  LYS   6           HG1      LYS   6  -7.152   7.696  -0.850
   49    HD2  LYS   6           HD2      LYS   6  -5.320   8.559  -2.151
   50    HD3  LYS   6           HD1      LYS   6  -5.888   7.698  -3.579
   51    HE2  LYS   6           HE2      LYS   6  -6.469  10.066  -3.666
   52    HE3  LYS   6           HE1      LYS   6  -7.909   9.051  -3.604
   53    HZ1  LYS   6           HZ1      LYS   6  -8.176   9.582  -1.289
   54    HZ2  LYS   6           HZ2      LYS   6  -8.009  11.021  -2.159
   55    HZ3  LYS   6           HZ3      LYS   6  -6.715  10.427  -1.274
   56    HA   PRO   7           HA       PRO   7  -5.357   0.960  -0.684
   57    HB2  PRO   7           HB2      PRO   7  -5.182   0.384  -3.396
   58    HB3  PRO   7           HB1      PRO   7  -6.560  -0.026  -2.369
   59    HG2  PRO   7           HG2      PRO   7  -6.205   2.293  -4.224
   60    HG3  PRO   7           HG1      PRO   7  -7.645   1.299  -3.935
   61    HD2  PRO   7           HD2      PRO   7  -7.409   3.734  -2.867
   62    HD3  PRO   7           HD1      PRO   7  -8.162   2.406  -1.959
   63    H    LYS   8           HN       LYS   8  -4.473   3.584  -2.702
   64    HA   LYS   8           HA       LYS   8  -1.869   2.866  -3.439
   65    HB2  LYS   8           HB2      LYS   8  -3.174   4.742  -4.396
   66    HB3  LYS   8           HB1      LYS   8  -2.952   5.630  -2.902
   67    HG2  LYS   8           HG2      LYS   8  -0.550   5.694  -3.274
   68    HG3  LYS   8           HG1      LYS   8  -0.742   4.742  -4.749
   69    HD2  LYS   8           HD2      LYS   8  -2.169   6.528  -5.677
   70    HD3  LYS   8           HD1      LYS   8  -1.894   7.476  -4.217
   71    HE2  LYS   8           HE2      LYS   8   0.503   7.517  -4.701
   72    HE3  LYS   8           HE1      LYS   8   0.228   6.566  -6.157
   73    HZ1  LYS   8           HZ1      LYS   8  -1.121   8.338  -7.035
   74    HZ2  LYS   8           HZ2      LYS   8   0.410   8.937  -6.652
   75    HZ3  LYS   8           HZ3      LYS   8  -0.911   9.255  -5.647
   76    H    ILE   9           HN       ILE   9  -3.188   4.117  -0.419
   77    HA   ILE   9           HA       ILE   9  -0.736   5.029   0.697
   78    HB   ILE   9           HB       ILE   9  -3.273   4.090   2.086
   79   HG12  ILE   9          HG12      ILE   9  -3.715   5.992   0.616
   80   HG13  ILE   9          HG11      ILE   9  -3.838   6.483   2.298
   81   HG21  ILE   9          HG21      ILE   9  -2.509   5.352   4.042
   82   HG22  ILE   9          HG22      ILE   9  -0.994   5.708   3.215
   83   HG23  ILE   9          HG23      ILE   9  -1.400   4.042   3.630
   84   HD11  ILE   9          HD11      ILE   9  -1.603   7.497   2.143
   85   HD12  ILE   9          HD12      ILE   9  -2.735   8.186   0.982
   86   HD13  ILE   9          HD13      ILE   9  -1.520   7.029   0.443
   87    H    LEU  10           HN       LEU  10  -2.520   2.001   0.844
   88    HA   LEU  10           HA       LEU  10  -0.645   0.691   2.524
   89    HB2  LEU  10           HB2      LEU  10  -2.886  -0.352   0.805
   90    HB3  LEU  10           HB1      LEU  10  -1.815  -1.430   1.670
   91    HG   LEU  10           HG       LEU  10  -3.842  -1.212   2.901
   92   HD11  LEU  10          HD11      LEU  10  -1.695   0.380   4.271
   93   HD12  LEU  10          HD12      LEU  10  -1.812  -1.377   4.198
   94   HD13  LEU  10          HD13      LEU  10  -3.047  -0.448   5.043
   95   HD21  LEU  10          HD21      LEU  10  -4.667   0.918   3.778
   96   HD22  LEU  10          HD22      LEU  10  -4.635   0.926   2.012
   97   HD23  LEU  10          HD23      LEU  10  -3.381   1.769   2.922
   98    H    LYS  11           HN       LYS  11  -1.028   1.053  -0.898
   99    HA   LYS  11           HA       LYS  11   0.906  -0.851  -1.700
  100    HB2  LYS  11           HB2      LYS  11  -0.809   0.172  -3.203
  101    HB3  LYS  11           HB1      LYS  11   0.051   1.697  -3.090
  102    HG2  LYS  11           HG2      LYS  11   1.997   0.677  -4.151
  103    HG3  LYS  11           HG1      LYS  11   1.123  -0.851  -4.272
  104    HD2  LYS  11           HD2      LYS  11  -0.582   0.261  -5.658
  105    HD3  LYS  11           HD1      LYS  11   0.340   1.761  -5.566
  106    HE2  LYS  11           HE2      LYS  11   1.297  -0.838  -6.757
  107    HE3  LYS  11           HE1      LYS  11   0.767   0.576  -7.664
  108    HZ1  LYS  11           HZ1      LYS  11   3.109   0.457  -5.842
  109    HZ2  LYS  11           HZ2      LYS  11   2.618   1.821  -6.700
  110    HZ3  LYS  11           HZ3      LYS  11   3.172   0.459  -7.524
  111    H    ARG  12           HN       ARG  12   1.012   2.590  -1.023
  112    HA   ARG  12           HA       ARG  12   3.670   3.164  -1.550
  113    HB2  ARG  12           HB2      ARG  12   1.675   4.319   0.338
  114    HB3  ARG  12           HB1      ARG  12   3.330   4.914   0.306
  115    HG2  ARG  12           HG2      ARG  12   3.135   5.624  -1.926
  116    HG3  ARG  12           HG1      ARG  12   1.626   4.744  -2.152
  117    HD2  ARG  12           HD2      ARG  12   1.386   7.223  -1.846
  118    HD3  ARG  12           HD1      ARG  12   0.438   6.226  -0.755
  119    HE   ARG  12           HE       ARG  12   2.499   6.611   0.760
  120   HH11  ARG  12          HH11      ARG  12   1.237   9.071  -1.467
  121   HH12  ARG  12          HH12      ARG  12   1.373  10.343  -0.356
  122   HH21  ARG  12          HH21      ARG  12   2.655   8.364   2.280
  123   HH22  ARG  12          HH22      ARG  12   2.202   9.951   1.841
  124    H    ILE  13           HN       ILE  13   2.298   2.377   1.656
  125    HA   ILE  13           HA       ILE  13   4.844   2.245   2.851
  126    HB   ILE  13           HB       ILE  13   2.819   2.527   4.233
  127   HG12  ILE  13          HG12      ILE  13   3.360   0.953   6.078
  128   HG13  ILE  13          HG11      ILE  13   4.371   0.036   4.969
  129   HG21  ILE  13          HG21      ILE  13   1.358   0.633   4.773
  130   HG22  ILE  13          HG22      ILE  13   2.201  -0.329   3.555
  131   HG23  ILE  13          HG23      ILE  13   1.290   1.100   3.071
  132   HD11  ILE  13          HD11      ILE  13   5.842   1.962   4.702
  133   HD12  ILE  13          HD12      ILE  13   5.688   1.509   6.399
  134   HD13  ILE  13          HD13      ILE  13   4.808   2.904   5.775
  135    H    LEU  14           HN       LEU  14   3.033  -0.112   1.083
  136    HA   LEU  14           HA       LEU  14   4.593  -2.364   1.790
  137    HB2  LEU  14           HB2      LEU  14   2.348  -2.532   0.778
  138    HB3  LEU  14           HB1      LEU  14   2.982  -1.862  -0.710
  139    HG   LEU  14           HG       LEU  14   4.477  -3.842  -0.903
  140   HD11  LEU  14          HD11      LEU  14   2.854  -4.869   1.417
  141   HD12  LEU  14          HD12      LEU  14   4.576  -4.485   1.431
  142   HD13  LEU  14          HD13      LEU  14   3.981  -5.819   0.451
  143   HD21  LEU  14          HD21      LEU  14   2.725  -5.364  -1.634
  144   HD22  LEU  14          HD22      LEU  14   2.354  -3.706  -2.113
  145   HD23  LEU  14          HD23      LEU  14   1.529  -4.437  -0.734
  146    H    ALA  15           HN       ALA  15   4.917   0.210  -0.591
  147    HA   ALA  15           HA       ALA  15   6.967  -1.114  -2.098
  148    HB1  ALA  15           HB1      ALA  15   5.491   0.539  -3.141
  149    HB2  ALA  15           HB2      ALA  15   7.177   1.044  -3.264
  150    HB3  ALA  15           HB3      ALA  15   6.118   1.784  -2.064
  151    H    LYS  16           HN       LYS  16   6.826   0.561   0.793
  152    HA   LYS  16           HA       LYS  16   9.502   1.581   0.783
  153    HB2  LYS  16           HB2      LYS  16   7.574   2.525   2.154
  154    HB3  LYS  16           HB1      LYS  16   7.713   1.105   3.166
  155    HG2  LYS  16           HG2      LYS  16   8.863   2.913   4.243
  156    HG3  LYS  16           HG1      LYS  16  10.048   1.728   3.697
  157    HD2  LYS  16           HD2      LYS  16  10.862   3.962   3.213
  158    HD3  LYS  16           HD1      LYS  16  10.489   3.153   1.695
  159    HE2  LYS  16           HE2      LYS  16   8.299   4.316   1.665
  160    HE3  LYS  16           HE1      LYS  16   8.756   5.154   3.138
  161    HZ1  LYS  16           HZ1      LYS  16  10.591   6.178   1.921
  162    HZ2  LYS  16           HZ2      LYS  16   9.113   6.516   1.192
  163    HZ3  LYS  16           HZ3      LYS  16  10.125   5.366   0.516
  164    H    ILE  17           HN       ILE  17   7.768  -1.151   2.178
  165    HA   ILE  17           HA       ILE  17  10.180  -2.282   3.319
  166    HB   ILE  17           HB       ILE  17   8.658  -4.090   4.158
  167   HG12  ILE  17          HG12      ILE  17   6.488  -2.341   2.954
  168   HG13  ILE  17          HG11      ILE  17   6.950  -3.932   2.370
  169   HG21  ILE  17          HG21      ILE  17   7.536  -2.670   5.821
  170   HG22  ILE  17          HG22      ILE  17   7.881  -1.253   4.831
  171   HG23  ILE  17          HG23      ILE  17   9.206  -2.173   5.543
  172   HD11  ILE  17          HD11      ILE  17   4.889  -3.982   3.666
  173   HD12  ILE  17          HD12      ILE  17   5.747  -3.322   5.059
  174   HD13  ILE  17          HD13      ILE  17   6.159  -4.923   4.445
  175    H    PHE  18           HN       PHE  18   8.063  -2.879   0.587
  176    HA   PHE  18           HA       PHE  18   9.789  -5.100  -0.182
  177    HB2  PHE  18           HB2      PHE  18   7.461  -5.815   0.277
  178    HB3  PHE  18           HB1      PHE  18   6.871  -4.613  -0.856
  179    HD1  PHE  18           HD1      PHE  18   6.414  -5.262  -3.008
  180    HD2  PHE  18           HD2      PHE  18   9.153  -7.555  -0.713
  181    HE1  PHE  18           HE1      PHE  18   6.548  -6.912  -4.826
  182    HE2  PHE  18           HE2      PHE  18   9.292  -9.213  -2.526
  183    HZ   PHE  18           HZ       PHE  18   7.984  -8.887  -4.587
  184    H    LYS  19           HN       LYS  19  11.215  -4.205  -1.432
  185    HA   LYS  19           HA       LYS  19  10.845  -1.890  -3.002
  186    HB2  LYS  19           HB2      LYS  19  12.997  -3.969  -3.396
  187    HB3  LYS  19           HB1      LYS  19  13.063  -2.265  -3.794
  188    HG2  LYS  19           HG2      LYS  19  13.109  -3.491  -1.042
  189    HG3  LYS  19           HG1      LYS  19  14.432  -2.688  -1.880
  190    HD2  LYS  19           HD2      LYS  19  13.099  -0.596  -1.841
  191    HD3  LYS  19           HD1      LYS  19  11.880  -1.437  -0.885
  192    HE2  LYS  19           HE2      LYS  19  13.590  -1.945   0.818
  193    HE3  LYS  19           HE1      LYS  19  14.761  -1.020  -0.110
  194    HZ1  LYS  19           HZ1      LYS  19  12.303  -0.009   1.173
  195    HZ2  LYS  19           HZ2      LYS  19  13.288   0.919   0.168
  196    HZ3  LYS  19           HZ3      LYS  19  13.894   0.309   1.640
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1 -13.189  10.362   4.370
    2    H3   PRO   1           HT2      PRO   1 -14.761  10.842   4.487
    3    HA   PRO   1           HA       PRO   1 -15.007  11.043   2.135
    4    HB2  PRO   1           HB2      PRO   1 -13.065   9.297   1.253
    5    HB3  PRO   1           HB1      PRO   1 -12.995  11.058   1.046
    6    HG2  PRO   1           HG2      PRO   1 -11.719   9.337   3.138
    7    HG3  PRO   1           HG1      PRO   1 -11.047  10.738   2.283
    8    HD2  PRO   1           HD2      PRO   1 -11.871  11.043   4.768
    9    HD3  PRO   1           HD1      PRO   1 -12.208  12.245   3.539
   10    H    MET   2           HN       MET   2 -15.268   8.753   0.912
   11    HA   MET   2           HA       MET   2 -16.263   6.880   2.897
   12    HB2  MET   2           HB2      MET   2 -16.364   6.846  -0.122
   13    HB3  MET   2           HB1      MET   2 -17.024   5.567   0.882
   14    HG2  MET   2           HG2      MET   2 -18.586   7.138   1.870
   15    HG3  MET   2           HG1      MET   2 -17.925   8.444   0.890
   16    HE1  MET   2           HE1      MET   2 -20.309   9.065  -0.051
   17    HE2  MET   2           HE2      MET   2 -21.024   7.808   0.959
   18    HE3  MET   2           HE3      MET   2 -21.424   7.894  -0.754
   19    H    ALA   3           HN       ALA   3 -13.799   7.102   0.427
   20    HA   ALA   3           HA       ALA   3 -12.764   4.488   1.047
   21    HB1  ALA   3           HB1      ALA   3 -11.053   4.998  -0.625
   22    HB2  ALA   3           HB2      ALA   3 -11.623   6.663  -0.714
   23    HB3  ALA   3           HB3      ALA   3 -12.657   5.352  -1.270
   24    H    ARG   4           HN       ARG   4 -12.070   4.517   3.114
   25    HA   ARG   4           HA       ARG   4 -10.270   6.684   3.846
   26    HB2  ARG   4           HB2      ARG   4 -10.450   6.129   6.146
   27    HB3  ARG   4           HB1      ARG   4 -12.066   6.020   5.491
   28    HG2  ARG   4           HG2      ARG   4 -10.260   3.674   6.085
   29    HG3  ARG   4           HG1      ARG   4 -11.521   4.275   7.151
   30    HD2  ARG   4           HD2      ARG   4 -11.886   3.127   4.400
   31    HD3  ARG   4           HD1      ARG   4 -12.240   2.305   5.915
   32    HE   ARG   4           HE       ARG   4 -13.634   4.791   5.541
   33   HH11  ARG   4          HH11      ARG   4 -13.717   1.289   4.981
   34   HH12  ARG   4          HH12      ARG   4 -15.401   1.194   4.835
   35   HH21  ARG   4          HH21      ARG   4 -16.005   4.673   5.317
   36   HH22  ARG   4          HH22      ARG   4 -16.727   3.161   5.037
   37    H    ASN   5           HN       ASN   5 -10.223   3.324   3.152
   38    HA   ASN   5           HA       ASN   5  -7.332   3.323   3.649
   39    HB2  ASN   5           HB2      ASN   5  -8.599   1.637   5.021
   40    HB3  ASN   5           HB1      ASN   5  -9.157   0.904   3.524
   41   HD21  ASN   5          HD21      ASN   5  -5.882   2.168   4.274
   42   HD22  ASN   5          HD22      ASN   5  -5.124   0.641   4.073
   43    H    LYS   6           HN       LYS   6  -6.987   4.257   1.639
   44    HA   LYS   6           HA       LYS   6  -7.987   3.014  -0.723
   45    HB2  LYS   6           HB2      LYS   6  -5.883   5.149  -0.361
   46    HB3  LYS   6           HB1      LYS   6  -6.668   4.719  -1.875
   47    HG2  LYS   6           HG2      LYS   6  -8.826   5.442  -0.958
   48    HG3  LYS   6           HG1      LYS   6  -8.027   5.884   0.550
   49    HD2  LYS   6           HD2      LYS   6  -6.655   7.503  -0.646
   50    HD3  LYS   6           HD1      LYS   6  -7.438   7.031  -2.157
   51    HE2  LYS   6           HE2      LYS   6  -9.600   7.789  -1.259
   52    HE3  LYS   6           HE1      LYS   6  -8.805   8.263   0.241
   53    HZ1  LYS   6           HZ1      LYS   6  -9.105  10.165  -1.135
   54    HZ2  LYS   6           HZ2      LYS   6  -8.352   9.431  -2.447
   55    HZ3  LYS   6           HZ3      LYS   6  -7.459   9.821  -1.062
   56    HA   PRO   7           HA       PRO   7  -4.676  -0.030  -1.058
   57    HB2  PRO   7           HB2      PRO   7  -5.157   0.232  -3.980
   58    HB3  PRO   7           HB1      PRO   7  -5.200  -1.216  -2.969
   59    HG2  PRO   7           HG2      PRO   7  -7.460  -0.144  -3.880
   60    HG3  PRO   7           HG1      PRO   7  -7.365  -0.800  -2.236
   61    HD2  PRO   7           HD2      PRO   7  -7.297   2.054  -3.143
   62    HD3  PRO   7           HD1      PRO   7  -8.122   1.319  -1.746
   63    H    LYS   8           HN       LYS   8  -4.797   2.959  -2.622
   64    HA   LYS   8           HA       LYS   8  -2.298   3.082  -3.918
   65    HB2  LYS   8           HB2      LYS   8  -3.903   5.333  -2.714
   66    HB3  LYS   8           HB1      LYS   8  -2.642   5.479  -3.931
   67    HG2  LYS   8           HG2      LYS   8  -4.009   4.238  -5.524
   68    HG3  LYS   8           HG1      LYS   8  -5.263   4.033  -4.303
   69    HD2  LYS   8           HD2      LYS   8  -5.873   5.839  -5.794
   70    HD3  LYS   8           HD1      LYS   8  -5.517   6.488  -4.196
   71    HE2  LYS   8           HE2      LYS   8  -3.280   7.121  -4.947
   72    HE3  LYS   8           HE1      LYS   8  -3.628   6.467  -6.545
   73    HZ1  LYS   8           HZ1      LYS   8  -5.078   8.719  -5.260
   74    HZ2  LYS   8           HZ2      LYS   8  -5.329   8.143  -6.824
   75    HZ3  LYS   8           HZ3      LYS   8  -3.876   8.878  -6.411
   76    H    ILE   9           HN       ILE   9  -3.322   3.985  -0.605
   77    HA   ILE   9           HA       ILE   9  -0.674   4.925  -0.007
   78    HB   ILE   9           HB       ILE   9  -2.581   6.048   1.099
   79   HG12  ILE   9          HG12      ILE   9  -1.790   6.010   3.463
   80   HG13  ILE   9          HG11      ILE   9  -0.791   4.617   3.069
   81   HG21  ILE   9          HG21      ILE   9  -3.075   3.449   2.515
   82   HG22  ILE   9          HG22      ILE   9  -4.120   4.212   1.317
   83   HG23  ILE   9          HG23      ILE   9  -3.864   4.984   2.883
   84   HD11  ILE   9          HD11      ILE   9   0.495   6.683   3.109
   85   HD12  ILE   9          HD12      ILE   9  -0.538   7.359   1.849
   86   HD13  ILE   9          HD13      ILE   9   0.487   5.964   1.501
   87    H    LEU  10           HN       LEU  10  -2.510   2.034   0.411
   88    HA   LEU  10           HA       LEU  10  -0.772   0.640   2.130
   89    HB2  LEU  10           HB2      LEU  10  -2.572  -0.393  -0.060
   90    HB3  LEU  10           HB1      LEU  10  -1.727  -1.425   1.074
   91    HG   LEU  10           HG       LEU  10  -3.854   0.595   1.799
   92   HD11  LEU  10          HD11      LEU  10  -5.225  -1.365   2.289
   93   HD12  LEU  10          HD12      LEU  10  -3.934  -2.419   1.717
   94   HD13  LEU  10          HD13      LEU  10  -4.752  -1.340   0.591
   95   HD21  LEU  10          HD21      LEU  10  -2.233   0.329   3.592
   96   HD22  LEU  10          HD22      LEU  10  -2.355  -1.423   3.468
   97   HD23  LEU  10          HD23      LEU  10  -3.738  -0.486   4.021
   98    H    LYS  11           HN       LYS  11  -0.905   0.916  -1.380
   99    HA   LYS  11           HA       LYS  11   1.247  -0.663  -2.110
  100    HB2  LYS  11           HB2      LYS  11  -0.286   0.342  -3.712
  101    HB3  LYS  11           HB1      LYS  11   0.278   1.946  -3.282
  102    HG2  LYS  11           HG2      LYS  11   2.514   1.344  -4.158
  103    HG3  LYS  11           HG1      LYS  11   1.848  -0.205  -4.684
  104    HD2  LYS  11           HD2      LYS  11   0.234   0.955  -6.087
  105    HD3  LYS  11           HD1      LYS  11   0.870   2.511  -5.554
  106    HE2  LYS  11           HE2      LYS  11   2.388   0.398  -7.077
  107    HE3  LYS  11           HE1      LYS  11   1.721   1.881  -7.758
  108    HZ1  LYS  11           HZ1      LYS  11   3.213   3.129  -6.252
  109    HZ2  LYS  11           HZ2      LYS  11   4.022   2.167  -7.360
  110    HZ3  LYS  11           HZ3      LYS  11   3.922   1.667  -5.765
  111    H    ARG  12           HN       ARG  12   1.163   2.729  -1.127
  112    HA   ARG  12           HA       ARG  12   3.876   3.284  -1.517
  113    HB2  ARG  12           HB2      ARG  12   1.947   4.559   0.408
  114    HB3  ARG  12           HB1      ARG  12   3.557   5.169   0.071
  115    HG2  ARG  12           HG2      ARG  12   2.871   5.367  -2.327
  116    HG3  ARG  12           HG1      ARG  12   1.225   5.001  -1.809
  117    HD2  ARG  12           HD2      ARG  12   1.603   7.417  -1.967
  118    HD3  ARG  12           HD1      ARG  12   1.244   6.923  -0.309
  119    HE   ARG  12           HE       ARG  12   4.039   7.052  -1.006
  120   HH11  ARG  12          HH11      ARG  12   1.323   8.821   0.398
  121   HH12  ARG  12          HH12      ARG  12   2.297   9.908   1.275
  122   HH21  ARG  12          HH21      ARG  12   5.370   8.522   0.168
  123   HH22  ARG  12          HH22      ARG  12   4.678   9.759   1.111
  124    H    ILE  13           HN       ILE  13   2.187   2.389   1.500
  125    HA   ILE  13           HA       ILE  13   4.618   2.381   2.922
  126    HB   ILE  13           HB       ILE  13   2.425   2.646   4.076
  127   HG12  ILE  13          HG12      ILE  13   4.026   0.291   5.093
  128   HG13  ILE  13          HG11      ILE  13   4.446   1.982   5.331
  129   HG21  ILE  13          HG21      ILE  13   2.062  -0.299   3.558
  130   HG22  ILE  13          HG22      ILE  13   1.124   1.012   2.850
  131   HG23  ILE  13          HG23      ILE  13   1.032   0.703   4.585
  132   HD11  ILE  13          HD11      ILE  13   1.984   0.610   6.369
  133   HD12  ILE  13          HD12      ILE  13   2.408   2.303   6.632
  134   HD13  ILE  13          HD13      ILE  13   3.413   1.022   7.310
  135    H    LEU  14           HN       LEU  14   2.953  -0.102   1.133
  136    HA   LEU  14           HA       LEU  14   4.677  -2.203   1.911
  137    HB2  LEU  14           HB2      LEU  14   2.909  -1.899  -0.505
  138    HB3  LEU  14           HB1      LEU  14   3.846  -3.343  -0.184
  139    HG   LEU  14           HG       LEU  14   1.653  -2.255   1.587
  140   HD11  LEU  14          HD11      LEU  14   1.692  -4.638  -0.259
  141   HD12  LEU  14          HD12      LEU  14   0.794  -3.142  -0.512
  142   HD13  LEU  14          HD13      LEU  14   0.383  -4.199   0.838
  143   HD21  LEU  14          HD21      LEU  14   1.873  -4.426   2.738
  144   HD22  LEU  14          HD22      LEU  14   3.314  -3.432   2.894
  145   HD23  LEU  14          HD23      LEU  14   3.295  -4.782   1.759
  146    H    ALA  15           HN       ALA  15   5.074   0.434  -0.332
  147    HA   ALA  15           HA       ALA  15   7.150  -0.776  -1.848
  148    HB1  ALA  15           HB1      ALA  15   7.705   1.496  -2.572
  149    HB2  ALA  15           HB2      ALA  15   6.680   2.162  -1.301
  150    HB3  ALA  15           HB3      ALA  15   5.961   1.242  -2.623
  151    H    LYS  16           HN       LYS  16   6.993   0.604   1.262
  152    HA   LYS  16           HA       LYS  16   9.888   0.690   1.541
  153    HB2  LYS  16           HB2      LYS  16   8.512   2.449   2.622
  154    HB3  LYS  16           HB1      LYS  16   7.725   1.211   3.593
  155    HG2  LYS  16           HG2      LYS  16   9.901   0.656   4.613
  156    HG3  LYS  16           HG1      LYS  16  10.648   1.947   3.677
  157    HD2  LYS  16           HD2      LYS  16  10.222   2.733   5.918
  158    HD3  LYS  16           HD1      LYS  16   9.147   3.571   4.802
  159    HE2  LYS  16           HE2      LYS  16   7.306   2.097   5.440
  160    HE3  LYS  16           HE1      LYS  16   8.382   1.181   6.493
  161    HZ1  LYS  16           HZ1      LYS  16   7.630   4.039   6.831
  162    HZ2  LYS  16           HZ2      LYS  16   8.682   3.193   7.825
  163    HZ3  LYS  16           HZ3      LYS  16   7.067   2.743   7.759
  164    H    ILE  17           HN       ILE  17   7.120  -0.975   3.027
  165    HA   ILE  17           HA       ILE  17   8.539  -2.665   4.741
  166    HB   ILE  17           HB       ILE  17   5.806  -3.103   3.501
  167   HG12  ILE  17          HG12      ILE  17   6.586  -2.009   6.217
  168   HG13  ILE  17          HG11      ILE  17   6.019  -1.046   4.860
  169   HG21  ILE  17          HG21      ILE  17   7.054  -4.501   5.872
  170   HG22  ILE  17          HG22      ILE  17   6.686  -5.226   4.307
  171   HG23  ILE  17          HG23      ILE  17   5.378  -4.669   5.350
  172   HD11  ILE  17          HD11      ILE  17   4.263  -1.433   6.510
  173   HD12  ILE  17          HD12      ILE  17   4.431  -3.176   6.280
  174   HD13  ILE  17          HD13      ILE  17   3.862  -2.162   4.956
  175    H    PHE  18           HN       PHE  18   7.389  -3.340   1.444
  176    HA   PHE  18           HA       PHE  18   8.655  -5.954   1.578
  177    HB2  PHE  18           HB2      PHE  18   6.305  -5.615   0.684
  178    HB3  PHE  18           HB1      PHE  18   7.012  -4.706  -0.638
  179    HD1  PHE  18           HD1      PHE  18   6.400  -7.980   0.776
  180    HD2  PHE  18           HD2      PHE  18   8.360  -5.866  -2.349
  181    HE1  PHE  18           HE1      PHE  18   6.660 -10.067  -0.474
  182    HE2  PHE  18           HE2      PHE  18   8.628  -7.952  -3.594
  183    HZ   PHE  18           HZ       PHE  18   7.773 -10.062  -2.661
  184    H    LYS  19           HN       LYS  19  10.642  -6.256   0.655
  185    HA   LYS  19           HA       LYS  19  11.557  -4.177  -1.124
  186    HB2  LYS  19           HB2      LYS  19  13.893  -4.667  -0.281
  187    HB3  LYS  19           HB1      LYS  19  12.845  -3.848   0.852
  188    HG2  LYS  19           HG2      LYS  19  13.262  -6.827   0.941
  189    HG3  LYS  19           HG1      LYS  19  14.375  -5.716   1.723
  190    HD2  LYS  19           HD2      LYS  19  11.409  -5.870   2.300
  191    HD3  LYS  19           HD1      LYS  19  12.648  -6.697   3.239
  192    HE2  LYS  19           HE2      LYS  19  13.656  -4.517   3.793
  193    HE3  LYS  19           HE1      LYS  19  12.393  -3.705   2.870
  194    HZ1  LYS  19           HZ1      LYS  19  11.901  -3.743   5.264
  195    HZ2  LYS  19           HZ2      LYS  19  11.885  -5.422   5.255
  196    HZ3  LYS  19           HZ3      LYS  19  10.750  -4.572   4.381
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1 -10.083   4.460   7.773
    2    H3   PRO   1           HT2      PRO   1 -10.727   5.146   6.432
    3    HA   PRO   1           HA       PRO   1 -12.352   4.175   7.913
    4    HB2  PRO   1           HB2      PRO   1 -12.422   2.219   5.714
    5    HB3  PRO   1           HB1      PRO   1 -13.633   3.422   6.195
    6    HG2  PRO   1           HG2      PRO   1 -12.145   3.816   4.017
    7    HG3  PRO   1           HG1      PRO   1 -12.533   5.163   5.104
    8    HD2  PRO   1           HD2      PRO   1 -10.061   3.549   4.850
    9    HD3  PRO   1           HD1      PRO   1 -10.169   5.293   5.004
   10    H    MET   2           HN       MET   2 -13.374   1.875   8.324
   11    HA   MET   2           HA       MET   2 -11.418   0.617   9.980
   12    HB2  MET   2           HB2      MET   2 -13.289  -0.703  10.870
   13    HB3  MET   2           HB1      MET   2 -13.608   1.019  10.922
   14    HG2  MET   2           HG2      MET   2 -14.708  -0.897   8.857
   15    HG3  MET   2           HG1      MET   2 -15.575  -0.349  10.287
   16    HE1  MET   2           HE1      MET   2 -14.816   2.751  10.451
   17    HE2  MET   2           HE2      MET   2 -16.453   2.127  10.636
   18    HE3  MET   2           HE3      MET   2 -16.136   3.455   9.520
   19    H    ALA   3           HN       ALA   3 -13.130  -0.275   7.043
   20    HA   ALA   3           HA       ALA   3 -11.710  -2.848   7.160
   21    HB1  ALA   3           HB1      ALA   3 -13.433  -3.766   5.738
   22    HB2  ALA   3           HB2      ALA   3 -14.217  -2.192   5.637
   23    HB3  ALA   3           HB3      ALA   3 -14.152  -3.044   7.179
   24    H    ARG   4           HN       ARG   4 -12.991  -0.555   4.799
   25    HA   ARG   4           HA       ARG   4 -11.156  -1.424   2.814
   26    HB2  ARG   4           HB2      ARG   4 -13.303   0.579   2.948
   27    HB3  ARG   4           HB1      ARG   4 -12.041   0.908   1.780
   28    HG2  ARG   4           HG2      ARG   4 -13.962  -0.287   0.793
   29    HG3  ARG   4           HG1      ARG   4 -12.468  -1.194   0.651
   30    HD2  ARG   4           HD2      ARG   4 -14.261  -2.686   1.257
   31    HD3  ARG   4           HD1      ARG   4 -13.155  -2.536   2.614
   32    HE   ARG   4           HE       ARG   4 -15.158  -0.647   2.940
   33   HH11  ARG   4          HH11      ARG   4 -14.886  -4.193   2.887
   34   HH12  ARG   4          HH12      ARG   4 -16.200  -4.428   3.954
   35   HH21  ARG   4          HH21      ARG   4 -16.941  -1.002   4.413
   36   HH22  ARG   4          HH22      ARG   4 -17.380  -2.602   4.826
   37    H    ASN   5           HN       ASN   5  -9.236  -0.939   2.619
   38    HA   ASN   5           HA       ASN   5  -8.190   1.607   3.657
   39    HB2  ASN   5           HB2      ASN   5  -7.225  -0.386   4.819
   40    HB3  ASN   5           HB1      ASN   5  -6.690  -1.010   3.263
   41   HD21  ASN   5          HD21      ASN   5  -4.530  -1.005   3.875
   42   HD22  ASN   5          HD22      ASN   5  -3.619   0.452   4.072
   43    H    LYS   6           HN       LYS   6  -7.326   2.871   2.175
   44    HA   LYS   6           HA       LYS   6  -7.757   2.329  -0.562
   45    HB2  LYS   6           HB2      LYS   6  -6.196   4.558   0.744
   46    HB3  LYS   6           HB1      LYS   6  -6.717   4.520  -0.936
   47    HG2  LYS   6           HG2      LYS   6  -9.042   4.557  -0.258
   48    HG3  LYS   6           HG1      LYS   6  -8.585   4.473   1.438
   49    HD2  LYS   6           HD2      LYS   6  -9.160   6.749   0.873
   50    HD3  LYS   6           HD1      LYS   6  -7.429   6.655   1.182
   51    HE2  LYS   6           HE2      LYS   6  -7.004   6.578  -1.227
   52    HE3  LYS   6           HE1      LYS   6  -8.739   6.644  -1.530
   53    HZ1  LYS   6           HZ1      LYS   6  -8.762   8.835  -0.434
   54    HZ2  LYS   6           HZ2      LYS   6  -7.806   8.789  -1.796
   55    HZ3  LYS   6           HZ3      LYS   6  -7.078   8.771  -0.279
   56    HA   PRO   7           HA       PRO   7  -3.998  -0.067  -1.353
   57    HB2  PRO   7           HB2      PRO   7  -4.870   0.708  -4.098
   58    HB3  PRO   7           HB1      PRO   7  -4.331  -0.863  -3.488
   59    HG2  PRO   7           HG2      PRO   7  -6.885  -0.430  -3.876
   60    HG3  PRO   7           HG1      PRO   7  -6.346  -1.278  -2.414
   61    HD2  PRO   7           HD2      PRO   7  -7.306   1.534  -2.724
   62    HD3  PRO   7           HD1      PRO   7  -7.554   0.381  -1.401
   63    H    LYS   8           HN       LYS   8  -4.795   3.069  -2.717
   64    HA   LYS   8           HA       LYS   8  -2.402   3.782  -3.883
   65    HB2  LYS   8           HB2      LYS   8  -4.441   5.160  -4.024
   66    HB3  LYS   8           HB1      LYS   8  -4.253   5.605  -2.334
   67    HG2  LYS   8           HG2      LYS   8  -2.142   6.723  -2.857
   68    HG3  LYS   8           HG1      LYS   8  -2.310   6.261  -4.549
   69    HD2  LYS   8           HD2      LYS   8  -4.398   7.566  -4.669
   70    HD3  LYS   8           HD1      LYS   8  -4.181   8.052  -2.993
   71    HE2  LYS   8           HE2      LYS   8  -2.290   8.671  -5.271
   72    HE3  LYS   8           HE1      LYS   8  -3.430   9.794  -4.545
   73    HZ1  LYS   8           HZ1      LYS   8  -1.226  10.132  -3.692
   74    HZ2  LYS   8           HZ2      LYS   8  -1.103   8.540  -3.189
   75    HZ3  LYS   8           HZ3      LYS   8  -2.215   9.591  -2.448
   76    H    ILE   9           HN       ILE   9  -3.301   4.003  -0.454
   77    HA   ILE   9           HA       ILE   9  -0.637   4.992   0.080
   78    HB   ILE   9           HB       ILE   9  -2.484   6.071   1.337
   79   HG12  ILE   9          HG12      ILE   9  -0.633   4.492   3.138
   80   HG13  ILE   9          HG11      ILE   9  -0.219   5.990   2.315
   81   HG21  ILE   9          HG21      ILE   9  -3.665   4.892   3.130
   82   HG22  ILE   9          HG22      ILE   9  -2.914   3.381   2.618
   83   HG23  ILE   9          HG23      ILE   9  -4.026   4.219   1.539
   84   HD11  ILE   9          HD11      ILE   9  -2.333   5.658   4.433
   85   HD12  ILE   9          HD12      ILE   9  -1.915   7.167   3.619
   86   HD13  ILE   9          HD13      ILE   9  -0.733   6.366   4.656
   87    H    LEU  10           HN       LEU  10  -2.536   2.076   0.478
   88    HA   LEU  10           HA       LEU  10  -0.835   0.725   2.243
   89    HB2  LEU  10           HB2      LEU  10  -3.092  -0.063   1.755
   90    HB3  LEU  10           HB1      LEU  10  -2.615  -0.432   0.108
   91    HG   LEU  10           HG       LEU  10  -1.028  -2.116   0.973
   92   HD11  LEU  10          HD11      LEU  10  -0.630  -1.248   3.191
   93   HD12  LEU  10          HD12      LEU  10  -1.243  -2.899   3.289
   94   HD13  LEU  10          HD13      LEU  10  -2.314  -1.539   3.634
   95   HD21  LEU  10          HD21      LEU  10  -3.898  -2.496   1.802
   96   HD22  LEU  10          HD22      LEU  10  -2.720  -3.788   1.568
   97   HD23  LEU  10          HD23      LEU  10  -3.225  -2.795   0.200
   98    H    LYS  11           HN       LYS  11  -0.846   0.751  -1.317
   99    HA   LYS  11           HA       LYS  11   1.300  -1.075  -1.546
  100    HB2  LYS  11           HB2      LYS  11   0.192   0.939  -3.501
  101    HB3  LYS  11           HB1      LYS  11   1.519  -0.141  -3.898
  102    HG2  LYS  11           HG2      LYS  11  -1.225  -1.036  -3.036
  103    HG3  LYS  11           HG1      LYS  11  -0.662  -0.956  -4.707
  104    HD2  LYS  11           HD2      LYS  11   1.106  -2.577  -4.190
  105    HD3  LYS  11           HD1      LYS  11   0.560  -2.652  -2.517
  106    HE2  LYS  11           HE2      LYS  11  -1.594  -3.513  -3.251
  107    HE3  LYS  11           HE1      LYS  11  -1.065  -3.418  -4.929
  108    HZ1  LYS  11           HZ1      LYS  11   0.629  -5.048  -4.472
  109    HZ2  LYS  11           HZ2      LYS  11  -0.862  -5.671  -3.990
  110    HZ3  LYS  11           HZ3      LYS  11   0.218  -5.103  -2.845
  111    H    ARG  12           HN       ARG  12   1.181   2.339  -1.061
  112    HA   ARG  12           HA       ARG  12   3.923   2.766  -1.659
  113    HB2  ARG  12           HB2      ARG  12   1.683   4.350  -0.901
  114    HB3  ARG  12           HB1      ARG  12   2.991   4.698   0.218
  115    HG2  ARG  12           HG2      ARG  12   2.956   6.219  -1.724
  116    HG3  ARG  12           HG1      ARG  12   4.450   5.295  -1.594
  117    HD2  ARG  12           HD2      ARG  12   3.593   5.466  -3.903
  118    HD3  ARG  12           HD1      ARG  12   3.740   3.799  -3.368
  119    HE   ARG  12           HE       ARG  12   1.131   4.888  -2.944
  120   HH11  ARG  12          HH11      ARG  12   3.199   3.362  -5.386
  121   HH12  ARG  12          HH12      ARG  12   1.917   2.804  -6.338
  122   HH21  ARG  12          HH21      ARG  12  -0.605   4.115  -4.233
  123   HH22  ARG  12          HH22      ARG  12  -0.327   3.246  -5.684
  124    H    ILE  13           HN       ILE  13   2.117   2.235   1.338
  125    HA   ILE  13           HA       ILE  13   4.274   2.227   3.126
  126    HB   ILE  13           HB       ILE  13   1.734   0.547   3.226
  127   HG12  ILE  13          HG12      ILE  13   2.348   3.207   4.543
  128   HG13  ILE  13          HG11      ILE  13   1.350   2.997   3.111
  129   HG21  ILE  13          HG21      ILE  13   3.661   1.232   5.456
  130   HG22  ILE  13          HG22      ILE  13   3.427  -0.360   4.733
  131   HG23  ILE  13          HG23      ILE  13   2.123   0.391   5.650
  132   HD11  ILE  13          HD11      ILE  13   0.760   1.899   5.852
  133   HD12  ILE  13          HD12      ILE  13  -0.254   1.705   4.423
  134   HD13  ILE  13          HD13      ILE  13   0.003   3.309   5.112
  135    H    LEU  14           HN       LEU  14   2.983  -0.263   1.048
  136    HA   LEU  14           HA       LEU  14   4.791  -2.280   1.944
  137    HB2  LEU  14           HB2      LEU  14   3.048  -2.171  -0.512
  138    HB3  LEU  14           HB1      LEU  14   3.951  -3.579   0.009
  139    HG   LEU  14           HG       LEU  14   1.722  -2.269   1.572
  140   HD11  LEU  14          HD11      LEU  14   1.758  -4.840   0.013
  141   HD12  LEU  14          HD12      LEU  14   0.903  -3.363  -0.434
  142   HD13  LEU  14          HD13      LEU  14   0.429  -4.252   1.013
  143   HD21  LEU  14          HD21      LEU  14   1.857  -4.273   2.992
  144   HD22  LEU  14          HD22      LEU  14   3.340  -3.329   3.047
  145   HD23  LEU  14          HD23      LEU  14   3.272  -4.811   2.088
  146    H    ALA  15           HN       ALA  15   5.017   0.300  -0.380
  147    HA   ALA  15           HA       ALA  15   7.164  -0.879  -1.869
  148    HB1  ALA  15           HB1      ALA  15   7.393   1.329  -2.903
  149    HB2  ALA  15           HB2      ALA  15   6.301   2.016  -1.701
  150    HB3  ALA  15           HB3      ALA  15   5.699   0.837  -2.866
  151    H    LYS  16           HN       LYS  16   6.859   0.663   1.102
  152    HA   LYS  16           HA       LYS  16   9.500   1.669   1.369
  153    HB2  LYS  16           HB2      LYS  16   7.577   0.748   3.516
  154    HB3  LYS  16           HB1      LYS  16   9.034   1.689   3.789
  155    HG2  LYS  16           HG2      LYS  16   6.646   2.606   2.192
  156    HG3  LYS  16           HG1      LYS  16   6.982   3.048   3.863
  157    HD2  LYS  16           HD2      LYS  16   9.072   4.113   3.159
  158    HD3  LYS  16           HD1      LYS  16   8.747   3.649   1.490
  159    HE2  LYS  16           HE2      LYS  16   8.161   5.970   1.880
  160    HE3  LYS  16           HE1      LYS  16   6.730   5.021   1.490
  161    HZ1  LYS  16           HZ1      LYS  16   6.160   4.975   3.828
  162    HZ2  LYS  16           HZ2      LYS  16   6.329   6.555   3.332
  163    HZ3  LYS  16           HZ3      LYS  16   7.554   5.830   4.237
  164    H    ILE  17           HN       ILE  17   7.950  -1.398   2.071
  165    HA   ILE  17           HA       ILE  17  10.473  -2.473   3.012
  166    HB   ILE  17           HB       ILE  17   8.496  -3.139   4.298
  167   HG12  ILE  17          HG12      ILE  17   8.751  -5.620   4.276
  168   HG13  ILE  17          HG11      ILE  17   9.681  -5.478   2.790
  169   HG21  ILE  17          HG21      ILE  17   6.785  -3.035   2.617
  170   HG22  ILE  17          HG22      ILE  17   6.765  -4.618   3.398
  171   HG23  ILE  17          HG23      ILE  17   7.468  -4.434   1.791
  172   HD11  ILE  17          HD11      ILE  17  10.439  -4.309   5.462
  173   HD12  ILE  17          HD12      ILE  17  11.383  -4.191   3.976
  174   HD13  ILE  17          HD13      ILE  17  11.120  -5.761   4.731
  175    H    PHE  18           HN       PHE  18   8.334  -2.800   0.223
  176    HA   PHE  18           HA       PHE  18  10.458  -4.346  -1.048
  177    HB2  PHE  18           HB2      PHE  18   8.346  -5.635  -0.796
  178    HB3  PHE  18           HB1      PHE  18   7.503  -4.392  -1.710
  179    HD1  PHE  18           HD1      PHE  18  10.149  -6.966  -1.922
  180    HD2  PHE  18           HD2      PHE  18   7.502  -4.422  -4.076
  181    HE1  PHE  18           HE1      PHE  18  10.706  -8.149  -3.999
  182    HE2  PHE  18           HE2      PHE  18   8.051  -5.603  -6.158
  183    HZ   PHE  18           HZ       PHE  18   9.656  -7.471  -6.124
  184    H    LYS  19           HN       LYS  19  11.565  -2.946  -2.066
  185    HA   LYS  19           HA       LYS  19  10.236  -0.847  -3.550
  186    HB2  LYS  19           HB2      LYS  19  12.467   0.391  -3.409
  187    HB3  LYS  19           HB1      LYS  19  11.566   0.250  -1.915
  188    HG2  LYS  19           HG2      LYS  19  13.828  -1.621  -2.588
  189    HG3  LYS  19           HG1      LYS  19  14.101  -0.065  -1.806
  190    HD2  LYS  19           HD2      LYS  19  12.714  -0.728   0.071
  191    HD3  LYS  19           HD1      LYS  19  12.290  -2.239  -0.716
  192    HE2  LYS  19           HE2      LYS  19  13.979  -2.626   0.954
  193    HE3  LYS  19           HE1      LYS  19  14.649  -2.910  -0.648
  194    HZ1  LYS  19           HZ1      LYS  19  15.024  -0.417   0.917
  195    HZ2  LYS  19           HZ2      LYS  19  15.759  -0.786  -0.560
  196    HZ3  LYS  19           HZ3      LYS  19  16.128  -1.679   0.816
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1 -11.470  -0.204  15.218
    2    H3   PRO   1           HT2      PRO   1 -12.727   0.409  16.033
    3    HA   PRO   1           HA       PRO   1 -13.433  -0.588  13.992
    4    HB2  PRO   1           HB2      PRO   1 -13.826   1.804  12.687
    5    HB3  PRO   1           HB1      PRO   1 -14.858   1.198  13.995
    6    HG2  PRO   1           HG2      PRO   1 -12.599   3.151  14.120
    7    HG3  PRO   1           HG1      PRO   1 -14.155   3.178  14.971
    8    HD2  PRO   1           HD2      PRO   1 -11.976   2.457  16.280
    9    HD3  PRO   1           HD1      PRO   1 -13.500   1.627  16.523
   10    H    MET   2           HN       MET   2 -13.297  -0.250  11.528
   11    HA   MET   2           HA       MET   2 -10.658  -0.771  10.733
   12    HB2  MET   2           HB2      MET   2 -13.095  -0.086   9.084
   13    HB3  MET   2           HB1      MET   2 -11.590  -0.702   8.425
   14    HG2  MET   2           HG2      MET   2 -13.372  -2.146  10.379
   15    HG3  MET   2           HG1      MET   2 -13.276  -2.467   8.651
   16    HE1  MET   2           HE1      MET   2 -11.170  -3.580   7.457
   17    HE2  MET   2           HE2      MET   2  -9.633  -3.849   8.284
   18    HE3  MET   2           HE3      MET   2 -10.225  -2.211   8.033
   19    H    ALA   3           HN       ALA   3  -9.106   0.609  10.465
   20    HA   ALA   3           HA       ALA   3  -9.609   3.422  10.491
   21    HB1  ALA   3           HB1      ALA   3  -7.002   1.933  10.198
   22    HB2  ALA   3           HB2      ALA   3  -7.734   2.450  11.717
   23    HB3  ALA   3           HB3      ALA   3  -7.190   3.650  10.552
   24    H    ARG   4           HN       ARG   4  -9.364   1.091   8.122
   25    HA   ARG   4           HA       ARG   4  -9.274   1.022   5.940
   26    HB2  ARG   4           HB2      ARG   4 -10.452   3.709   6.295
   27    HB3  ARG   4           HB1      ARG   4 -10.246   2.996   4.702
   28    HG2  ARG   4           HG2      ARG   4 -11.805   1.746   6.956
   29    HG3  ARG   4           HG1      ARG   4 -12.520   2.627   5.611
   30    HD2  ARG   4           HD2      ARG   4 -10.952   0.034   5.488
   31    HD3  ARG   4           HD1      ARG   4 -12.652   0.268   5.125
   32    HE   ARG   4           HE       ARG   4 -11.613   1.888   3.334
   33   HH11  ARG   4          HH11      ARG   4 -10.524  -1.388   4.169
   34   HH12  ARG   4          HH12      ARG   4  -9.898  -1.696   2.622
   35   HH21  ARG   4          HH21      ARG   4 -10.716   1.437   1.237
   36   HH22  ARG   4          HH22      ARG   4 -10.013  -0.093   0.927
   37    H    ASN   5           HN       ASN   5  -7.392   0.694   5.431
   38    HA   ASN   5           HA       ASN   5  -5.601   2.924   4.859
   39    HB2  ASN   5           HB2      ASN   5  -4.654   0.887   5.972
   40    HB3  ASN   5           HB1      ASN   5  -5.087  -0.055   4.547
   41   HD21  ASN   5          HD21      ASN   5  -2.918  -0.592   4.227
   42   HD22  ASN   5          HD22      ASN   5  -1.778   0.536   3.590
   43    H    LYS   6           HN       LYS   6  -5.533   3.737   2.926
   44    HA   LYS   6           HA       LYS   6  -7.276   2.685   0.916
   45    HB2  LYS   6           HB2      LYS   6  -5.531   5.136   1.048
   46    HB3  LYS   6           HB1      LYS   6  -6.272   4.652  -0.465
   47    HG2  LYS   6           HG2      LYS   6  -7.620   6.354   0.591
   48    HG3  LYS   6           HG1      LYS   6  -8.495   4.832   0.569
   49    HD2  LYS   6           HD2      LYS   6  -8.863   5.916   2.691
   50    HD3  LYS   6           HD1      LYS   6  -7.853   4.498   2.953
   51    HE2  LYS   6           HE2      LYS   6  -5.868   5.920   3.034
   52    HE3  LYS   6           HE1      LYS   6  -6.869   7.341   2.740
   53    HZ1  LYS   6           HZ1      LYS   6  -7.133   5.545   5.090
   54    HZ2  LYS   6           HZ2      LYS   6  -7.978   6.972   4.842
   55    HZ3  LYS   6           HZ3      LYS   6  -6.307   7.007   5.088
   56    HA   PRO   7           HA       PRO   7  -4.604  -0.058  -1.259
   57    HB2  PRO   7           HB2      PRO   7  -5.633   1.332  -3.687
   58    HB3  PRO   7           HB1      PRO   7  -5.518  -0.402  -3.360
   59    HG2  PRO   7           HG2      PRO   7  -7.857   0.821  -3.174
   60    HG3  PRO   7           HG1      PRO   7  -7.388  -0.391  -1.969
   61    HD2  PRO   7           HD2      PRO   7  -7.474   2.582  -1.729
   62    HD3  PRO   7           HD1      PRO   7  -7.815   1.328  -0.518
   63    H    LYS   8           HN       LYS   8  -4.624   3.315  -2.411
   64    HA   LYS   8           HA       LYS   8  -2.110   3.231  -3.695
   65    HB2  LYS   8           HB2      LYS   8  -3.649   5.117  -4.042
   66    HB3  LYS   8           HB1      LYS   8  -3.442   5.603  -2.361
   67    HG2  LYS   8           HG2      LYS   8  -1.030   5.932  -2.806
   68    HG3  LYS   8           HG1      LYS   8  -1.322   5.583  -4.501
   69    HD2  LYS   8           HD2      LYS   8  -2.894   7.503  -4.561
   70    HD3  LYS   8           HD1      LYS   8  -2.452   7.861  -2.891
   71    HE2  LYS   8           HE2      LYS   8  -0.086   8.049  -3.591
   72    HE3  LYS   8           HE1      LYS   8  -0.590   7.796  -5.254
   73    HZ1  LYS   8           HZ1      LYS   8  -1.889   9.821  -5.143
   74    HZ2  LYS   8           HZ2      LYS   8  -0.287  10.128  -4.760
   75    HZ3  LYS   8           HZ3      LYS   8  -1.433  10.065  -3.538
   76    H    ILE   9           HN       ILE   9  -3.049   4.083  -0.422
   77    HA   ILE   9           HA       ILE   9  -0.437   4.836   0.426
   78    HB   ILE   9           HB       ILE   9  -2.814   4.037   2.140
   79   HG12  ILE   9          HG12      ILE   9  -3.422   5.878   0.651
   80   HG13  ILE   9          HG11      ILE   9  -3.284   6.456   2.305
   81   HG21  ILE   9          HG21      ILE   9  -0.704   4.035   3.379
   82   HG22  ILE   9          HG22      ILE   9  -1.736   5.364   3.899
   83   HG23  ILE   9          HG23      ILE   9  -0.370   5.678   2.830
   84   HD11  ILE   9          HD11      ILE   9  -2.340   8.037   0.711
   85   HD12  ILE   9          HD12      ILE   9  -1.223   6.808   0.129
   86   HD13  ILE   9          HD13      ILE   9  -1.091   7.408   1.784
   87    H    LEU  10           HN       LEU  10  -2.353   1.922   0.524
   88    HA   LEU  10           HA       LEU  10  -0.627   0.318   2.029
   89    HB2  LEU  10           HB2      LEU  10  -2.881  -0.408   1.446
   90    HB3  LEU  10           HB1      LEU  10  -2.444  -0.464  -0.251
   91    HG   LEU  10           HG       LEU  10  -0.837  -2.278   0.242
   92   HD11  LEU  10          HD11      LEU  10  -2.011  -2.166   3.010
   93   HD12  LEU  10          HD12      LEU  10  -0.342  -1.803   2.560
   94   HD13  LEU  10          HD13      LEU  10  -0.964  -3.444   2.398
   95   HD21  LEU  10          HD21      LEU  10  -3.069  -2.805  -0.533
   96   HD22  LEU  10          HD22      LEU  10  -3.663  -2.789   1.127
   97   HD23  LEU  10          HD23      LEU  10  -2.512  -4.024   0.614
   98    H    LYS  11           HN       LYS  11  -0.827   0.826  -1.480
   99    HA   LYS  11           HA       LYS  11   1.351  -0.736  -2.206
  100    HB2  LYS  11           HB2      LYS  11  -0.198   0.131  -3.866
  101    HB3  LYS  11           HB1      LYS  11   0.279   1.781  -3.498
  102    HG2  LYS  11           HG2      LYS  11   2.512   1.346  -4.353
  103    HG3  LYS  11           HG1      LYS  11   2.074  -0.329  -4.676
  104    HD2  LYS  11           HD2      LYS  11   0.416   0.403  -6.304
  105    HD3  LYS  11           HD1      LYS  11   0.790   2.091  -5.944
  106    HE2  LYS  11           HE2      LYS  11   3.028   1.831  -6.739
  107    HE3  LYS  11           HE1      LYS  11   2.812   0.098  -6.958
  108    HZ1  LYS  11           HZ1      LYS  11   1.409   2.236  -8.484
  109    HZ2  LYS  11           HZ2      LYS  11   1.170   0.580  -8.662
  110    HZ3  LYS  11           HZ3      LYS  11   2.656   1.241  -9.047
  111    H    ARG  12           HN       ARG  12   1.220   2.567  -1.044
  112    HA   ARG  12           HA       ARG  12   3.927   3.192  -1.555
  113    HB2  ARG  12           HB2      ARG  12   2.267   4.344   0.702
  114    HB3  ARG  12           HB1      ARG  12   3.731   5.031   0.031
  115    HG2  ARG  12           HG2      ARG  12   0.989   4.905  -1.185
  116    HG3  ARG  12           HG1      ARG  12   1.968   6.320  -0.808
  117    HD2  ARG  12           HD2      ARG  12   2.440   4.292  -2.992
  118    HD3  ARG  12           HD1      ARG  12   1.924   5.961  -3.195
  119    HE   ARG  12           HE       ARG  12   4.299   6.128  -1.885
  120   HH11  ARG  12          HH11      ARG  12   3.201   4.746  -4.962
  121   HH12  ARG  12          HH12      ARG  12   4.736   4.818  -5.698
  122   HH21  ARG  12          HH21      ARG  12   6.383   6.272  -2.911
  123   HH22  ARG  12          HH22      ARG  12   6.612   5.740  -4.505
  124    H    ILE  13           HN       ILE  13   2.386   2.246   1.532
  125    HA   ILE  13           HA       ILE  13   4.844   1.965   2.875
  126    HB   ILE  13           HB       ILE  13   2.832   2.250   4.208
  127   HG12  ILE  13          HG12      ILE  13   3.054   0.433   5.884
  128   HG13  ILE  13          HG11      ILE  13   4.029  -0.478   4.739
  129   HG21  ILE  13          HG21      ILE  13   1.216   1.156   2.821
  130   HG22  ILE  13          HG22      ILE  13   1.125   0.526   4.466
  131   HG23  ILE  13          HG23      ILE  13   1.909  -0.420   3.199
  132   HD11  ILE  13          HD11      ILE  13   4.732   2.192   5.939
  133   HD12  ILE  13          HD12      ILE  13   5.718   1.284   4.791
  134   HD13  ILE  13          HD13      ILE  13   5.406   0.629   6.397
  135    H    LEU  14           HN       LEU  14   2.979  -0.305   0.992
  136    HA   LEU  14           HA       LEU  14   4.413  -2.630   1.485
  137    HB2  LEU  14           HB2      LEU  14   2.336  -2.573   0.209
  138    HB3  LEU  14           HB1      LEU  14   3.116  -1.644  -1.050
  139    HG   LEU  14           HG       LEU  14   4.576  -3.599  -1.526
  140   HD11  LEU  14          HD11      LEU  14   3.945  -5.781  -0.648
  141   HD12  LEU  14          HD12      LEU  14   2.754  -5.020   0.405
  142   HD13  LEU  14          HD13      LEU  14   4.473  -4.697   0.637
  143   HD21  LEU  14          HD21      LEU  14   2.581  -3.159  -2.844
  144   HD22  LEU  14          HD22      LEU  14   1.605  -4.078  -1.697
  145   HD23  LEU  14          HD23      LEU  14   2.838  -4.893  -2.659
  146    H    ALA  15           HN       ALA  15   5.049   0.092  -0.750
  147    HA   ALA  15           HA       ALA  15   7.277  -1.255  -1.968
  148    HB1  ALA  15           HB1      ALA  15   5.895   0.330  -3.237
  149    HB2  ALA  15           HB2      ALA  15   7.584   0.839  -3.199
  150    HB3  ALA  15           HB3      ALA  15   6.400   1.629  -2.158
  151    H    LYS  16           HN       LYS  16   6.760   0.716   0.770
  152    HA   LYS  16           HA       LYS  16   9.408   1.719   1.031
  153    HB2  LYS  16           HB2      LYS  16   7.311   2.650   1.992
  154    HB3  LYS  16           HB1      LYS  16   7.291   1.309   3.120
  155    HG2  LYS  16           HG2      LYS  16   9.497   2.072   3.979
  156    HG3  LYS  16           HG1      LYS  16   9.366   3.482   2.925
  157    HD2  LYS  16           HD2      LYS  16   7.428   2.716   5.106
  158    HD3  LYS  16           HD1      LYS  16   8.611   4.018   5.178
  159    HE2  LYS  16           HE2      LYS  16   6.398   3.874   3.128
  160    HE3  LYS  16           HE1      LYS  16   6.244   4.727   4.631
  161    HZ1  LYS  16           HZ1      LYS  16   8.140   6.118   3.969
  162    HZ2  LYS  16           HZ2      LYS  16   6.868   6.233   2.891
  163    HZ3  LYS  16           HZ3      LYS  16   8.228   5.327   2.482
  164    H    ILE  17           HN       ILE  17   7.551  -0.975   2.379
  165    HA   ILE  17           HA       ILE  17   9.776  -1.981   3.908
  166    HB   ILE  17           HB       ILE  17   7.136  -3.302   3.197
  167   HG12  ILE  17          HG12      ILE  17   7.945  -1.884   5.748
  168   HG13  ILE  17          HG11      ILE  17   6.905  -1.194   4.505
  169   HG21  ILE  17          HG21      ILE  17   7.599  -4.808   5.091
  170   HG22  ILE  17          HG22      ILE  17   9.174  -4.042   5.298
  171   HG23  ILE  17          HG23      ILE  17   8.824  -4.947   3.827
  172   HD11  ILE  17          HD11      ILE  17   5.264  -2.949   4.925
  173   HD12  ILE  17          HD12      ILE  17   5.618  -2.028   6.388
  174   HD13  ILE  17          HD13      ILE  17   6.312  -3.636   6.165
  175    H    PHE  18           HN       PHE  18   8.075  -2.899   0.958
  176    HA   PHE  18           HA       PHE  18  10.140  -4.875   0.352
  177    HB2  PHE  18           HB2      PHE  18   7.977  -5.852   0.909
  178    HB3  PHE  18           HB1      PHE  18   7.171  -4.787  -0.220
  179    HD1  PHE  18           HD1      PHE  18   9.985  -7.263  -0.339
  180    HD2  PHE  18           HD2      PHE  18   6.366  -5.831  -2.056
  181    HE1  PHE  18           HE1      PHE  18  10.059  -9.067  -2.011
  182    HE2  PHE  18           HE2      PHE  18   6.446  -7.626  -3.728
  183    HZ   PHE  18           HZ       PHE  18   8.294  -9.245  -3.709
  184    H    LYS  19           HN       LYS  19  11.474  -3.806  -1.031
  185    HA   LYS  19           HA       LYS  19  10.225  -2.290  -3.145
  186    HB2  LYS  19           HB2      LYS  19  12.355  -1.051  -3.383
  187    HB3  LYS  19           HB1      LYS  19  11.625  -0.824  -1.814
  188    HG2  LYS  19           HG2      LYS  19  13.935  -2.703  -2.341
  189    HG3  LYS  19           HG1      LYS  19  14.125  -1.028  -1.865
  190    HD2  LYS  19           HD2      LYS  19  12.776  -3.187  -0.208
  191    HD3  LYS  19           HD1      LYS  19  14.392  -2.549   0.036
  192    HE2  LYS  19           HE2      LYS  19  13.443  -0.315   0.447
  193    HE3  LYS  19           HE1      LYS  19  11.824  -0.979   0.241
  194    HZ1  LYS  19           HZ1      LYS  19  12.327  -2.487   2.147
  195    HZ2  LYS  19           HZ2      LYS  19  12.251  -0.855   2.511
  196    HZ3  LYS  19           HZ3      LYS  19  13.756  -1.598   2.406