*HEADER    APOPTOSIS                               24-JUL-15   2N5R              
*TITLE     NMR STRUCTURE OF CFLIP-DERIVED CALMODULIN BINDING PEPTIDE             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CASP8 AND FADD-LIKE APOPTOSIS REGULATOR;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DED 1 DOMAIN RESIDUES 62-73;                               
*COMPND   5 SYNONYM: CASPASE HOMOLOG, CASH, CASPASE-EIGHT-RELATED PROTEIN,       
*COMPND   6 CASPER, CASPASE-LIKE APOPTOSIS REGULATORY PROTEIN, CLARP, CELLULAR   
*COMPND   7 FLICE-LIKE INHIBITORY PROTEIN, C-FLIP, FADD-LIKE ANTIAPOPTOTIC       
*COMPND   8 MOLECULE 1, FLAME-1, INHIBITOR OF FLICE, I-FLICE, MACH-RELATED       
*COMPND   9 INDUCER OF TOXICITY, MRIT, USURPIN, CASP8 AND FADD-LIKE APOPTOSIS    
*COMPND  10 REGULATOR SUBUNIT P43, CASP8 AND FADD-LIKE APOPTOSIS REGULATOR       
*COMPND  11 SUBUNIT P12;                                                         
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    CALMODULIN, APOPTOSIS                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    21                                                                    
*AUTHOR    A.E.PANAITIU                                                          
*REVDAT   1   18-NOV-15 2N5R    0                                                


QCONVR conversion noe distance restraints from /home/ap/dg/DED1_R4/run5/R4-NOElist-DIANA.noe
count 87 type diana
NOEUPP  ARG    2 HA    ARG    3 H          3.150
NOEUPP  ARG    3 HA    ARG    3 H          4.170
NOEUPP  ARG    3 HA    PHE    4 H          2.990
NOEUPP  ARG    3 HA    ASP    5 H          4.400
NOEUPP  ARG    3 HA    LEU    6 H          3.400
NOEUPP  ARG    3 QB    ARG    3 H          4.110
NOEUPP  ARG    3 QB    PHE    4 H          4.120
NOEUPP  ARG    3 QB    ASP    5 H          4.300
NOEUPP  ARG    3 QG    ARG    3 H          4.910
NOEUPP  ARG    3 QG    PHE    4 HZ         3.000
NOEUPP  PHE    4 HA    PHE    4 CG         2.870
NOEUPP  PHE    4 HA    PHE    4 CZ         3.680
NOEUPP  PHE    4 HA    PHE    4 H          2.940
NOEUPP  PHE    4 HA    ASP    5 H          2.960
NOEUPP  PHE    4 HA    LEU    6 H          4.400
NOEUPP  PHE    4 QB    PHE    4 CG         2.780
NOEUPP  PHE    4 QB    PHE    4 CZ         3.340
NOEUPP  PHE    4 QB    PHE    4 H          3.360
NOEUPP  PHE    4 QB    ASP    5 H          3.540
NOEUPP  PHE    4 QB    LEU    6 H          4.080
NOEUPP  PHE    4 QB    PHE    4 QB         1.960
NOEUPP  PHE    4 QB    PHE    4 CG         2.730
NOEUPP  PHE    4 QB    PHE    4 CZ         3.410
NOEUPP  PHE    4 QB    PHE    4 H          3.260
NOEUPP  PHE    4 QB    ASP    5 H          3.560
NOEUPP  PHE    4 CG    PHE    4 H          3.850
NOEUPP  PHE    4 CG    ASP    5 H          3.880
NOEUPP  PHE    4 H     ARG    3 H          3.290
NOEUPP  ASP    5 HA    PHE    4 CG         4.260
NOEUPP  ASP    5 HA    ASP    5 H          3.000
NOEUPP  ASP    5 HA    LEU    6 H          2.750
NOEUPP  ASP    5 HA    LYS    8 H          3.600
NOEUPP  ASP    5 QB    ASP    5 H          3.570
NOEUPP  ASP    5 QB    LEU    6 H          3.920
NOEUPP  ASP    5 QB    LYS    8 H          4.700
NOEUPP  LEU    6 HA    LEU    6 H          2.690
NOEUPP  LEU    6 HA    LEU    7 H          2.940
NOEUPP  LEU    6 HA    LYS    8 H          4.400
NOEUPP  LEU    6 HA    ILE   10 H          4.850
NOEUPP  LEU    6 QD    PHE    4 CG         4.110
NOEUPP  LEU    6 QD    LEU    6 H          4.070
NOEUPP  LEU    6 H     PHE    4 H          4.200
NOEUPP  LEU    6 H     ASP    5 H          3.230
NOEUPP  LEU    7 HA    LEU    7 H          3.850
NOEUPP  LEU    7 HA    LYS    8 H          4.760
NOEUPP  LEU    7 QB    PHE    4 CZ         3.940
NOEUPP  LEU    7 QB    LEU    7 H          4.220
NOEUPP  LEU    7 QB    ILE   10 H          4.160
NOEUPP  LEU    7 MD1   PHE    4 CG         4.300
NOEUPP  LEU    7 MD1   PHE    4 CZ         4.310
NOEUPP  LEU    7 MD1   PHE    4 HZ         4.450
NOEUPP  LEU    7 MD2   PHE    4 CG         4.360
NOEUPP  LEU    7 MD2   PHE    4 HZ         4.400
NOEUPP  LEU    7 HG    LEU    7 H          3.650
NOEUPP  LYS    8 HA    LYS    8 H          2.770
NOEUPP  LYS    8 QB    LYS    8 H          3.860
NOEUPP  LYS    8 QD    LYS    8 H          3.520
NOEUPP  LYS    8 HG2   LYS    8 H          3.310
NOEUPP  LYS    8 HG3   LYS    8 H          3.590
NOEUPP  LYS    8 H     LEU    7 H          3.080
NOEUPP  ARG    9 HA    LYS   12 H          3.950
NOEUPP  ARG    9 QB    ARG    9 H          3.440
NOEUPP  ILE   10 HA    ILE   10 H          3.620
NOEUPP  ILE   10 HA    LEU   11 H          3.060
NOEUPP  ILE   10 HB    ILE   10 H          3.310
NOEUPP  ILE   10 HB    LEU   11 H          3.640
NOEUPP  ILE   10 MD    ILE   10 H          4.970
NOEUPP  ILE   10 HG12  ILE   10 H          3.450
NOEUPP  ILE   10 HG13  ILE   10 H          3.480
NOEUPP  ILE   10 H     LEU   11 H          2.820
NOEUPP  LEU   11 HA    LEU   11 H          3.500
NOEUPP  LEU   11 HA    LYS   12 H          2.750
NOEUPP  LEU   11 QB    LEU   11 H          3.540
NOEUPP  LEU   11 QB    LYS   12 H          4.080
NOEUPP  LEU   11 MD1   LEU   11 H          4.120
NOEUPP  LEU   11 MD1   LYS   12 H          4.900
NOEUPP  LEU   11 MD2   LYS   12 H          5.460
NOEUPP  LYS   12 HA    LYS   12 H          3.020
NOEUPP  LYS   12 QB    LYS   12 H          4.420
NOEUPP  LYS   12 QD    LYS   12 H          4.140
NOEUPP  LYS   12 QG    LYS   12 H          4.630
NOEUPP  LYS   12 H     ILE   10 H          4.200
NOEUPP  LYS   12 H     LEU   11 H          3.650
NOEUPP  ARG    2 HA    ARG    2 QB         3.410
NOEUPP  ARG    2 HA    ARG    2 QD         2.980
NOEUPP  ARG    3 H     ASP    5 H          4.100
NOEUPP  PHE    4 H     LEU    6 H          3.970

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1  10.393  -3.743  -1.962
    2    HA   VAL   1           HA       VAL   1  11.522  -1.197  -2.442
    3    HB   VAL   1           HB       VAL   1  12.511  -3.396  -2.971
    4   HG11  VAL   1          HG21      VAL   1  12.148  -4.522  -5.032
    5   HG12  VAL   1          HG22      VAL   1  10.561  -4.358  -4.263
    6   HG13  VAL   1          HG23      VAL   1  11.013  -3.288  -5.609
    7   HG21  VAL   1          HG11      VAL   1  13.521  -1.296  -3.731
    8   HG22  VAL   1          HG12      VAL   1  13.795  -2.617  -4.869
    9   HG23  VAL   1          HG13      VAL   1  12.577  -1.380  -5.244
   10    H    ARG   2           H        ARG   2  10.236   0.440  -2.699
   11    HA   ARG   2           HA       ARG   2   8.361   1.653  -3.011
   12    HB2  ARG   2           HB1      ARG   2   9.064   0.759  -5.743
   13    HB3  ARG   2           HB2      ARG   2   7.381   1.186  -5.600
   14    HG2  ARG   2           HG1      ARG   2   9.712   3.001  -4.842
   15    HG3  ARG   2           HG2      ARG   2   8.751   3.073  -6.324
   16    HD2  ARG   2           HD1      ARG   2   6.695   3.343  -4.800
   17    HD3  ARG   2           HD2      ARG   2   7.835   3.686  -3.489
   18    HE   ARG   2           HE       ARG   2   8.745   5.455  -5.228
   19   HH11  ARG   2          HH12      ARG   2   5.397   4.825  -4.480
   20   HH12  ARG   2          HH11      ARG   2   4.866   6.376  -5.089
   21   HH21  ARG   2          HH22      ARG   2   8.014   7.422  -5.973
   22   HH22  ARG   2          HH21      ARG   2   6.328   7.810  -5.913
   23    H    ARG   3           H        ARG   3   8.092  -1.289  -2.249
   24    HA   ARG   3           HA       ARG   3   5.277  -1.805  -2.753
   25    HB2  ARG   3           HB1      ARG   3   7.438  -3.422  -2.573
   26    HB3  ARG   3           HB2      ARG   3   6.942  -3.521  -0.907
   27    HG2  ARG   3           HG1      ARG   3   5.867  -5.322  -1.801
   28    HG3  ARG   3           HG2      ARG   3   4.590  -4.104  -1.839
   29    HD2  ARG   3           HD1      ARG   3   4.943  -3.714  -4.219
   30    HD3  ARG   3           HD2      ARG   3   6.244  -4.908  -4.229
   31    HE   ARG   3           HE       ARG   3   4.650  -6.656  -3.650
   32   HH11  ARG   3          HH12      ARG   3   3.162  -3.777  -4.952
   33   HH12  ARG   3          HH11      ARG   3   1.692  -4.610  -5.373
   34   HH21  ARG   3          HH22      ARG   3   2.724  -7.656  -4.186
   35   HH22  ARG   3          HH21      ARG   3   1.450  -6.737  -4.915
   36    H    PHE   4           H        PHE   4   6.041  -2.836   0.415
   37    HA   PHE   4           HA       PHE   4   3.361  -2.199   0.924
   38    HB2  PHE   4           HB1      PHE   4   5.346  -3.787   2.524
   39    HB3  PHE   4           HB2      PHE   4   3.707  -3.522   3.060
   40    HD1  PHE   4           HD1      PHE   4   3.145  -3.760  -0.356
   41    HD2  PHE   4           HD2      PHE   4   4.147  -6.126   3.105
   42    HE1  PHE   4           HE1      PHE   4   2.342  -5.765  -1.503
   43    HE2  PHE   4           HE2      PHE   4   3.161  -8.114   1.998
   44    HZ   PHE   4           HZ       PHE   4   2.289  -7.954  -0.318
   45    H    ASP   5           H        ASP   5   4.048   0.164   0.852
   46    HA   ASP   5           HA       ASP   5   2.105   0.552   3.035
   47    HB2  ASP   5           HB1      ASP   5   2.071   2.882   2.730
   48    HB3  ASP   5           HB2      ASP   5   3.739   2.441   3.166
   49    H    LEU   6           H        LEU   6   3.032   0.835  -0.486
   50    HA   LEU   6           HA       LEU   6   0.552   1.427  -1.374
   51    HB2  LEU   6           HB1      LEU   6   1.407   1.257  -3.394
   52    HB3  LEU   6           HB2      LEU   6   2.870   1.052  -2.485
   53    HG   LEU   6           HG       LEU   6   3.152  -0.508  -4.074
   54   HD11  LEU   6          HD21      LEU   6   2.905  -1.745  -1.725
   55   HD12  LEU   6          HD22      LEU   6   1.547  -2.524  -2.516
   56   HD13  LEU   6          HD23      LEU   6   3.160  -2.634  -3.235
   57   HD21  LEU   6          HD11      LEU   6   1.526  -1.900  -5.168
   58   HD22  LEU   6          HD12      LEU   6   0.956  -0.223  -5.188
   59   HD23  LEU   6          HD13      LEU   6   0.246  -1.390  -4.052
   60    H    LEU   7           H        LEU   7   0.756  -1.639   0.155
   61    HA   LEU   7           HA       LEU   7  -1.987  -2.166  -0.915
   62    HB2  LEU   7           HB1      LEU   7  -0.770  -3.924   1.175
   63    HB3  LEU   7           HB2      LEU   7  -2.159  -4.199   0.135
   64    HG   LEU   7           HG       LEU   7   0.750  -4.220  -0.619
   65   HD11  LEU   7          HD21      LEU   7  -1.466  -6.336  -0.675
   66   HD12  LEU   7          HD22      LEU   7   0.162  -6.593  -1.305
   67   HD13  LEU   7          HD23      LEU   7  -0.074  -6.291   0.424
   68   HD21  LEU   7          HD11      LEU   7  -1.514  -4.736  -2.568
   69   HD22  LEU   7          HD12      LEU   7  -0.635  -3.203  -2.496
   70   HD23  LEU   7          HD13      LEU   7   0.235  -4.686  -2.895
   71    H    LYS   8           H        LYS   8  -0.453  -0.668   1.728
   72    HA   LYS   8           HA       LYS   8  -2.903  -0.395   3.331
   73    HB2  LYS   8           HB1      LYS   8  -0.418   1.334   3.619
   74    HB3  LYS   8           HB2      LYS   8  -1.739   1.110   4.732
   75    HG2  LYS   8           HG1      LYS   8   0.527  -0.785   4.073
   76    HG3  LYS   8           HG2      LYS   8   0.082  -0.145   5.645
   77    HD2  LYS   8           HD1      LYS   8  -1.751  -2.116   4.167
   78    HD3  LYS   8           HD2      LYS   8  -0.381  -2.649   5.079
   79    HE2  LYS   8           HE1      LYS   8  -2.641  -2.670   6.209
   80    HE3  LYS   8           HE2      LYS   8  -1.294  -1.968   7.119
   81    HZ1  LYS   8           HZ1      LYS   8  -2.096   0.203   6.647
   82    HZ2  LYS   8           HZ2      LYS   8  -3.400  -0.639   7.183
   83    HZ3  LYS   8           HZ3      LYS   8  -3.225  -0.318   5.577
   84    H    ARG   9           H        ARG   9  -1.573   0.784   0.419
   85    HA   ARG   9           HA       ARG   9  -3.515   3.029   0.238
   86    HB2  ARG   9           HB1      ARG   9  -1.134   2.895  -0.792
   87    HB3  ARG   9           HB2      ARG   9  -1.852   1.815  -1.976
   88    HG2  ARG   9           HG1      ARG   9  -1.915   3.775  -3.084
   89    HG3  ARG   9           HG2      ARG   9  -3.556   3.706  -2.448
   90    HD2  ARG   9           HD1      ARG   9  -3.180   5.418  -0.907
   91    HD3  ARG   9           HD2      ARG   9  -1.462   5.074  -0.749
   92    HE   ARG   9           HE       ARG   9  -2.745   6.755  -2.793
   93   HH11  ARG   9          HH12      ARG   9   0.289   5.297  -1.738
   94   HH12  ARG   9          HH11      ARG   9   1.223   6.277  -2.801
   95   HH21  ARG   9          HH22      ARG   9  -1.466   7.960  -4.150
   96   HH22  ARG   9          HH21      ARG   9   0.248   7.715  -4.169
   97    H    ILE  10           H        ILE  10  -3.419  -0.393  -0.987
   98    HA   ILE  10           HA       ILE  10  -5.710   0.029  -2.672
   99    HB   ILE  10           HB       ILE  10  -5.899  -2.281  -2.968
  100   HG12  ILE  10          HG12      ILE  10  -3.973  -2.886  -0.726
  101   HG13  ILE  10          HG13      ILE  10  -5.725  -3.026  -0.594
  102   HG21  ILE  10          HG21      ILE  10  -4.185  -1.499  -4.292
  103   HG22  ILE  10          HG22      ILE  10  -3.393  -2.866  -3.498
  104   HG23  ILE  10          HG23      ILE  10  -3.075  -1.220  -2.955
  105   HD11  ILE  10          HD11      ILE  10  -5.001  -5.180  -1.014
  106   HD12  ILE  10          HD12      ILE  10  -3.825  -4.679  -2.241
  107   HD13  ILE  10          HD13      ILE  10  -5.568  -4.622  -2.605
  108    H    LEU  11           H        LEU  11  -5.572  -0.735   0.814
  109    HA   LEU  11           HA       LEU  11  -8.373  -1.250   1.005
  110    HB2  LEU  11           HB1      LEU  11  -8.085  -1.543   3.186
  111    HB3  LEU  11           HB2      LEU  11  -6.438  -1.777   2.689
  112    HG   LEU  11           HG       LEU  11  -7.048   1.063   3.472
  113   HD11  LEU  11          HD21      LEU  11  -8.563  -0.120   5.024
  114   HD12  LEU  11          HD22      LEU  11  -7.204  -1.116   5.588
  115   HD13  LEU  11          HD23      LEU  11  -7.207   0.653   5.849
  116   HD21  LEU  11          HD11      LEU  11  -5.006  -0.922   4.485
  117   HD22  LEU  11          HD12      LEU  11  -4.860   0.160   3.077
  118   HD23  LEU  11          HD13      LEU  11  -5.028   0.869   4.698
  119    H    LYS  12           H        LYS  12  -7.067   1.651   0.156
  120    HA   LYS  12           HA       LYS  12  -7.566   3.537   2.001
  121    HB2  LYS  12           HB1      LYS  12  -7.449   5.209   0.243
  122    HB3  LYS  12           HB2      LYS  12  -6.399   3.882  -0.140
  123    HG2  LYS  12           HG1      LYS  12  -8.444   2.942  -1.560
  124    HG3  LYS  12           HG2      LYS  12  -9.109   4.561  -1.371
  125    HD2  LYS  12           HD1      LYS  12  -6.362   3.973  -2.545
  126    HD3  LYS  12           HD2      LYS  12  -7.820   4.105  -3.524
  127    HE2  LYS  12           HE1      LYS  12  -6.820   6.295  -1.647
  128    HE3  LYS  12           HE2      LYS  12  -6.395   6.209  -3.367
  129    HZ1  LYS  12           HZ1      LYS  12  -8.295   7.671  -3.034
  130    HZ2  LYS  12           HZ2      LYS  12  -9.148   6.494  -2.275
  131    HZ3  LYS  12           HZ3      LYS  12  -8.795   6.349  -3.869
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1  12.715  -0.367  -0.757
    2    HA   VAL   1           HA       VAL   1  10.441  -1.367  -0.019
    3    HB   VAL   1           HB       VAL   1  11.036   1.484   0.792
    4   HG11  VAL   1          HG21      VAL   1   8.987   0.506   1.836
    5   HG12  VAL   1          HG22      VAL   1  10.273   0.666   3.017
    6   HG13  VAL   1          HG23      VAL   1   9.914  -0.932   2.320
    7   HG21  VAL   1          HG11      VAL   1  12.581   0.535   2.482
    8   HG22  VAL   1          HG12      VAL   1  12.399  -1.072   1.757
    9   HG23  VAL   1          HG13      VAL   1  13.185   0.251   0.867
   10    H    ARG   2           H        ARG   2   9.961  -0.800  -2.704
   11    HA   ARG   2           HA       ARG   2   7.618   1.055  -2.595
   12    HB2  ARG   2           HB1      ARG   2   9.127  -0.034  -4.968
   13    HB3  ARG   2           HB2      ARG   2   7.607   0.844  -5.100
   14    HG2  ARG   2           HG1      ARG   2  10.219   1.923  -3.969
   15    HG3  ARG   2           HG2      ARG   2   9.422   2.371  -5.479
   16    HD2  ARG   2           HD1      ARG   2   7.418   3.040  -3.833
   17    HD3  ARG   2           HD2      ARG   2   8.726   3.119  -2.640
   18    HE   ARG   2           HE       ARG   2   9.096   4.584  -5.192
   19   HH11  ARG   2          HH12      ARG   2   8.404   4.935  -1.766
   20   HH12  ARG   2          HH11      ARG   2   8.438   6.669  -1.851
   21   HH21  ARG   2          HH22      ARG   2   9.091   6.817  -5.215
   22   HH22  ARG   2          HH21      ARG   2   8.786   7.693  -3.752
   23    H    ARG   3           H        ARG   3   7.917  -2.225  -2.162
   24    HA   ARG   3           HA       ARG   3   5.028  -1.955  -1.809
   25    HB2  ARG   3           HB1      ARG   3   4.169  -3.390  -3.093
   26    HB3  ARG   3           HB2      ARG   3   5.565  -3.226  -4.084
   27    HG2  ARG   3           HG1      ARG   3   5.263  -5.565  -2.126
   28    HG3  ARG   3           HG2      ARG   3   4.417  -5.480  -3.647
   29    HD2  ARG   3           HD1      ARG   3   6.654  -5.158  -4.822
   30    HD3  ARG   3           HD2      ARG   3   7.413  -5.587  -3.283
   31    HE   ARG   3           HE       ARG   3   6.581  -7.786  -3.444
   32   HH11  ARG   3          HH12      ARG   3   5.811  -6.065  -6.393
   33   HH12  ARG   3          HH11      ARG   3   5.174  -7.490  -7.163
   34   HH21  ARG   3          HH22      ARG   3   5.680  -9.555  -4.490
   35   HH22  ARG   3          HH21      ARG   3   5.089  -9.391  -6.110
   36    H    PHE   4           H        PHE   4   6.368  -1.658   0.477
   37    HA   PHE   4           HA       PHE   4   3.814  -1.976   0.149
   38    HB2  PHE   4           HB1      PHE   4   4.593  -4.094   2.099
   39    HB3  PHE   4           HB2      PHE   4   3.026  -3.311   2.209
   40    HD1  PHE   4           HD1      PHE   4   2.966  -3.396  -1.203
   41    HD2  PHE   4           HD2      PHE   4   3.208  -6.110   2.134
   42    HE1  PHE   4           HE1      PHE   4   2.060  -5.227  -2.599
   43    HE2  PHE   4           HE2      PHE   4   2.253  -7.908   0.732
   44    HZ   PHE   4           HZ       PHE   4   1.705  -7.481  -1.649
   45    H    ASP   5           H        ASP   5   4.900   0.302   0.674
   46    HA   ASP   5           HA       ASP   5   2.363   0.376   1.742
   47    HB2  ASP   5           HB1      ASP   5   4.095   2.221   3.182
   48    HB3  ASP   5           HB2      ASP   5   2.757   3.061   2.430
   49    H    LEU   6           H        LEU   6   2.771  -0.279  -0.359
   50    HA   LEU   6           HA       LEU   6   0.692   1.363  -1.278
   51    HB2  LEU   6           HB1      LEU   6   1.008   1.784  -3.403
   52    HB3  LEU   6           HB2      LEU   6   2.666   1.834  -2.883
   53    HG   LEU   6           HG       LEU   6   2.903   0.755  -4.833
   54   HD11  LEU   6          HD21      LEU   6   3.386  -1.493  -4.638
   55   HD12  LEU   6          HD22      LEU   6   3.591  -0.831  -3.002
   56   HD13  LEU   6          HD23      LEU   6   2.162  -1.805  -3.379
   57   HD21  LEU   6          HD11      LEU   6   0.657   0.729  -5.621
   58   HD22  LEU   6          HD12      LEU   6   1.347  -0.888  -5.845
   59   HD23  LEU   6          HD13      LEU   6   0.211  -0.605  -4.506
   60    H    LEU   7           H        LEU   7  -0.840  -0.051  -2.586
   61    HA   LEU   7           HA       LEU   7  -2.542  -1.351  -1.874
   62    HB2  LEU   7           HB1      LEU   7  -0.663  -3.178  -0.358
   63    HB3  LEU   7           HB2      LEU   7  -2.393  -3.269  -0.364
   64    HG   LEU   7           HG       LEU   7  -2.529  -3.847  -2.691
   65   HD11  LEU   7          HD21      LEU   7  -0.732  -2.720  -3.779
   66   HD12  LEU   7          HD22      LEU   7   0.473  -3.534  -2.747
   67   HD13  LEU   7          HD23      LEU   7  -0.450  -4.463  -3.955
   68   HD21  LEU   7          HD11      LEU   7  -2.179  -5.642  -1.015
   69   HD22  LEU   7          HD12      LEU   7  -0.429  -5.493  -1.220
   70   HD23  LEU   7          HD13      LEU   7  -1.442  -6.063  -2.563
   71    H    LYS   8           H        LYS   8  -0.532   0.603   0.098
   72    HA   LYS   8           HA       LYS   8  -2.380   1.434   1.865
   73    HB2  LYS   8           HB1      LYS   8  -1.536   3.592   1.672
   74    HB3  LYS   8           HB2      LYS   8  -0.247   2.566   1.106
   75    HG2  LYS   8           HG1      LYS   8  -1.162   3.186  -1.297
   76    HG3  LYS   8           HG2      LYS   8  -2.028   4.473  -0.460
   77    HD2  LYS   8           HD1      LYS   8   0.748   4.484   0.435
   78    HD3  LYS   8           HD2      LYS   8   0.730   4.343  -1.311
   79    HE2  LYS   8           HE1      LYS   8   0.990   6.586  -0.894
   80    HE3  LYS   8           HE2      LYS   8  -0.703   6.451  -1.375
   81    HZ1  LYS   8           HZ1      LYS   8  -0.431   7.860   0.586
   82    HZ2  LYS   8           HZ2      LYS   8   0.337   6.667   1.407
   83    HZ3  LYS   8           HZ3      LYS   8  -1.253   6.510   1.040
   84    H    ARG   9           H        ARG   9  -2.969   1.369  -1.571
   85    HA   ARG   9           HA       ARG   9  -5.596   2.641  -1.505
   86    HB2  ARG   9           HB1      ARG   9  -5.811   1.967  -3.816
   87    HB3  ARG   9           HB2      ARG   9  -4.226   2.676  -3.529
   88    HG2  ARG   9           HG1      ARG   9  -3.216   0.395  -3.488
   89    HG3  ARG   9           HG2      ARG   9  -4.819  -0.311  -3.791
   90    HD2  ARG   9           HD1      ARG   9  -4.958   0.759  -5.971
   91    HD3  ARG   9           HD2      ARG   9  -3.527   1.735  -5.635
   92    HE   ARG   9           HE       ARG   9  -2.237   0.095  -6.466
   93   HH11  ARG   9          HH11      ARG   9  -5.166  -1.616  -5.667
   94   HH12  ARG   9          HH12      ARG   9  -4.415  -3.174  -5.811
   95   HH21  ARG   9          HH21      ARG   9  -1.352  -1.925  -6.729
   96   HH22  ARG   9          HH22      ARG   9  -2.309  -3.330  -6.381
   97    H    ILE  10           H        ILE  10  -4.754  -0.345  -0.352
   98    HA   ILE  10           HA       ILE  10  -7.465  -1.584  -0.744
   99    HB   ILE  10           HB       ILE  10  -4.850  -2.764   0.220
  100   HG12  ILE  10          HG12      ILE  10  -4.811  -2.387  -2.240
  101   HG13  ILE  10          HG13      ILE  10  -4.673  -4.058  -1.748
  102   HG21  ILE  10          HG21      ILE  10  -5.903  -4.976   0.135
  103   HG22  ILE  10          HG22      ILE  10  -7.487  -4.218  -0.138
  104   HG23  ILE  10          HG23      ILE  10  -6.593  -3.929   1.371
  105   HD11  ILE  10          HD11      ILE  10  -6.021  -3.935  -3.714
  106   HD12  ILE  10          HD12      ILE  10  -7.077  -4.444  -2.399
  107   HD13  ILE  10          HD13      ILE  10  -7.130  -2.759  -2.989
  108    H    LEU  11           H        LEU  11  -5.058  -0.494   1.686
  109    HA   LEU  11           HA       LEU  11  -6.555  -0.537   4.030
  110    HB2  LEU  11           HB1      LEU  11  -4.527   0.192   4.582
  111    HB3  LEU  11           HB2      LEU  11  -4.180   0.737   2.983
  112    HG   LEU  11           HG       LEU  11  -5.542   2.914   3.689
  113   HD11  LEU  11          HD21      LEU  11  -6.132   1.978   5.999
  114   HD12  LEU  11          HD22      LEU  11  -4.400   2.054   6.383
  115   HD13  LEU  11          HD23      LEU  11  -5.303   3.535   5.979
  116   HD21  LEU  11          HD11      LEU  11  -3.372   3.842   4.673
  117   HD22  LEU  11          HD12      LEU  11  -3.335   3.195   3.044
  118   HD23  LEU  11          HD13      LEU  11  -2.684   2.228   4.401
  119    H    LYS  12           H        LYS  12  -7.380   1.341   1.271
  120    HA   LYS  12           HA       LYS  12  -8.149   3.764   2.091
  121    HB2  LYS  12           HB1      LYS  12  -9.589   3.997   0.264
  122    HB3  LYS  12           HB2      LYS  12  -8.314   2.910  -0.215
  123    HG2  LYS  12           HG1      LYS  12 -11.262   2.282   0.175
  124    HG3  LYS  12           HG2      LYS  12 -10.293   2.285  -1.275
  125    HD2  LYS  12           HD1      LYS  12 -10.209   0.067  -1.082
  126    HD3  LYS  12           HD2      LYS  12  -8.973   0.390   0.101
  127    HE2  LYS  12           HE1      LYS  12 -10.333  -1.091   1.274
  128    HE3  LYS  12           HE2      LYS  12 -10.958   0.454   1.845
  129    HZ1  LYS  12           HZ1      LYS  12 -12.744  -1.028   1.206
  130    HZ2  LYS  12           HZ2      LYS  12 -12.728   0.240   0.160
  131    HZ3  LYS  12           HZ3      LYS  12 -12.132  -1.228  -0.303
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   9.627  -4.780  -1.601
    2    HA   VAL   1           HA       VAL   1  12.044  -4.035  -3.159
    3    HB   VAL   1           HB       VAL   1  11.971  -6.317  -3.375
    4   HG11  VAL   1          HG21      VAL   1  10.044  -7.403  -4.817
    5   HG12  VAL   1          HG22      VAL   1   9.062  -6.143  -4.050
    6   HG13  VAL   1          HG23      VAL   1   9.964  -7.315  -3.062
    7   HG21  VAL   1          HG11      VAL   1  12.100  -6.587  -5.736
    8   HG22  VAL   1          HG12      VAL   1  11.027  -5.221  -6.027
    9   HG23  VAL   1          HG13      VAL   1  12.639  -4.955  -5.320
   10    H    ARG   2           H        ARG   2  11.198  -1.964  -2.915
   11    HA   ARG   2           HA       ARG   2   9.775  -0.191  -3.021
   12    HB2  ARG   2           HB1      ARG   2  11.036   0.131  -4.884
   13    HB3  ARG   2           HB2      ARG   2  10.266  -1.096  -5.855
   14    HG2  ARG   2           HG1      ARG   2   9.925   1.161  -6.635
   15    HG3  ARG   2           HG2      ARG   2   8.428   0.291  -6.418
   16    HD2  ARG   2           HD1      ARG   2   9.249   1.910  -4.051
   17    HD3  ARG   2           HD2      ARG   2   9.097   2.856  -5.531
   18    HE   ARG   2           HE       ARG   2   6.847   1.121  -4.616
   19   HH11  ARG   2          HH12      ARG   2   7.994   4.365  -5.305
   20   HH12  ARG   2          HH11      ARG   2   6.480   5.118  -4.916
   21   HH21  ARG   2          HH22      ARG   2   5.013   2.277  -3.780
   22   HH22  ARG   2          HH21      ARG   2   4.938   3.990  -4.003
   23    H    ARG   3           H        ARG   3   8.367  -2.037  -1.815
   24    HA   ARG   3           HA       ARG   3   5.831  -0.875  -2.555
   25    HB2  ARG   3           HB1      ARG   3   4.329  -2.619  -2.410
   26    HB3  ARG   3           HB2      ARG   3   5.369  -2.685  -3.762
   27    HG2  ARG   3           HG1      ARG   3   5.590  -4.553  -1.373
   28    HG3  ARG   3           HG2      ARG   3   4.695  -4.877  -2.824
   29    HD2  ARG   3           HD1      ARG   3   7.658  -4.678  -2.523
   30    HD3  ARG   3           HD2      ARG   3   6.718  -6.071  -3.025
   31    HE   ARG   3           HE       ARG   3   7.862  -3.908  -4.580
   32   HH11  ARG   3          HH12      ARG   3   5.031  -5.953  -5.041
   33   HH12  ARG   3          HH11      ARG   3   4.921  -5.526  -6.648
   34   HH21  ARG   3          HH22      ARG   3   7.801  -3.610  -6.471
   35   HH22  ARG   3          HH21      ARG   3   6.498  -4.088  -7.565
   36    H    PHE   4           H        PHE   4   5.737  -3.134   0.083
   37    HA   PHE   4           HA       PHE   4   3.376  -1.886   0.389
   38    HB2  PHE   4           HB1      PHE   4   4.710  -4.131   1.760
   39    HB3  PHE   4           HB2      PHE   4   3.163  -3.628   2.362
   40    HD1  PHE   4           HD1      PHE   4   2.810  -3.086  -1.115
   41    HD2  PHE   4           HD2      PHE   4   3.059  -6.244   1.792
   42    HE1  PHE   4           HE1      PHE   4   2.107  -4.727  -2.833
   43    HE2  PHE   4           HE2      PHE   4   2.191  -7.845   0.105
   44    HZ   PHE   4           HZ       PHE   4   1.796  -7.101  -2.233
   45    H    ASP   5           H        ASP   5   5.113   0.420   1.546
   46    HA   ASP   5           HA       ASP   5   2.221   0.837   2.073
   47    HB2  ASP   5           HB1      ASP   5   2.763   3.158   2.741
   48    HB3  ASP   5           HB2      ASP   5   3.247   1.822   3.770
   49    H    LEU   6           H        LEU   6   2.584  -0.222   0.002
   50    HA   LEU   6           HA       LEU   6   0.710   1.386  -1.370
   51    HB2  LEU   6           HB1      LEU   6   1.246   1.140  -3.636
   52    HB3  LEU   6           HB2      LEU   6   2.673   1.769  -2.846
   53    HG   LEU   6           HG       LEU   6   3.672  -0.531  -2.915
   54   HD11  LEU   6          HD21      LEU   6   2.803  -2.111  -4.674
   55   HD12  LEU   6          HD22      LEU   6   1.282  -1.189  -4.697
   56   HD13  LEU   6          HD23      LEU   6   1.850  -2.034  -3.222
   57   HD21  LEU   6          HD11      LEU   6   3.766  -0.439  -5.650
   58   HD22  LEU   6          HD12      LEU   6   3.187   1.197  -5.301
   59   HD23  LEU   6          HD13      LEU   6   4.697   0.564  -4.583
   60    H    LEU   7           H        LEU   7  -0.739  -0.220  -2.662
   61    HA   LEU   7           HA       LEU   7  -2.525  -1.432  -1.975
   62    HB2  LEU   7           HB1      LEU   7  -0.753  -3.271  -0.351
   63    HB3  LEU   7           HB2      LEU   7  -2.483  -3.334  -0.396
   64    HG   LEU   7           HG       LEU   7  -2.552  -4.111  -2.680
   65   HD11  LEU   7          HD21      LEU   7  -0.851  -2.924  -3.762
   66   HD12  LEU   7          HD22      LEU   7  -0.319  -4.620  -3.817
   67   HD13  LEU   7          HD23      LEU   7   0.366  -3.506  -2.595
   68   HD21  LEU   7          HD11      LEU   7  -2.204  -5.822  -0.963
   69   HD22  LEU   7          HD12      LEU   7  -0.455  -5.549  -0.988
   70   HD23  LEU   7          HD13      LEU   7  -1.274  -6.255  -2.400
   71    H    LYS   8           H        LYS   8  -0.502   0.424   0.073
   72    HA   LYS   8           HA       LYS   8  -2.396   1.379   1.793
   73    HB2  LYS   8           HB1      LYS   8  -1.401   3.400   1.708
   74    HB3  LYS   8           HB2      LYS   8  -0.143   2.434   0.979
   75    HG2  LYS   8           HG1      LYS   8  -1.334   3.216  -1.305
   76    HG3  LYS   8           HG2      LYS   8  -2.033   4.466  -0.252
   77    HD2  LYS   8           HD1      LYS   8   0.502   4.767   0.527
   78    HD3  LYS   8           HD2      LYS   8   0.824   3.951  -1.011
   79    HE2  LYS   8           HE1      LYS   8  -0.637   6.577  -0.690
   80    HE3  LYS   8           HE2      LYS   8   1.051   6.355  -1.174
   81    HZ1  LYS   8           HZ1      LYS   8  -0.363   6.649  -3.095
   82    HZ2  LYS   8           HZ2      LYS   8   0.290   5.139  -3.112
   83    HZ3  LYS   8           HZ3      LYS   8  -1.294   5.362  -2.677
   84    H    ARG   9           H        ARG   9  -3.204   0.736  -1.454
   85    HA   ARG   9           HA       ARG   9  -5.527   2.612  -1.366
   86    HB2  ARG   9           HB1      ARG   9  -5.767   2.663  -3.587
   87    HB3  ARG   9           HB2      ARG   9  -4.027   2.518  -3.485
   88    HG2  ARG   9           HG1      ARG   9  -4.593  -0.103  -3.849
   89    HG3  ARG   9           HG2      ARG   9  -6.110   0.567  -4.449
   90    HD2  ARG   9           HD1      ARG   9  -4.985   0.486  -6.422
   91    HD3  ARG   9           HD2      ARG   9  -4.488   2.107  -5.928
   92    HE   ARG   9           HE       ARG   9  -2.675   0.080  -4.942
   93   HH11  ARG   9          HH11      ARG   9  -3.490   1.506  -8.043
   94   HH12  ARG   9          HH12      ARG   9  -1.986   1.038  -8.762
   95   HH21  ARG   9          HH21      ARG   9  -0.803  -0.575  -5.976
   96   HH22  ARG   9          HH22      ARG   9  -0.488  -0.037  -7.592
   97    H    ILE  10           H        ILE  10  -4.697  -0.637  -0.911
   98    HA   ILE  10           HA       ILE  10  -7.435  -1.736  -0.830
   99    HB   ILE  10           HB       ILE  10  -4.748  -2.855   0.010
  100   HG12  ILE  10          HG12      ILE  10  -4.598  -2.547  -2.386
  101   HG13  ILE  10          HG13      ILE  10  -4.587  -4.226  -1.912
  102   HG21  ILE  10          HG21      ILE  10  -5.642  -5.086  -0.045
  103   HG22  ILE  10          HG22      ILE  10  -7.269  -4.467  -0.375
  104   HG23  ILE  10          HG23      ILE  10  -6.444  -4.090   1.162
  105   HD11  ILE  10          HD11      ILE  10  -5.755  -3.756  -4.035
  106   HD12  ILE  10          HD12      ILE  10  -6.710  -4.674  -2.865
  107   HD13  ILE  10          HD13      ILE  10  -7.043  -2.934  -3.133
  108    H    LEU  11           H        LEU  11  -4.938  -0.308   1.403
  109    HA   LEU  11           HA       LEU  11  -6.397  -0.610   3.796
  110    HB2  LEU  11           HB1      LEU  11  -4.600   0.350   4.619
  111    HB3  LEU  11           HB2      LEU  11  -4.052   0.802   3.043
  112    HG   LEU  11           HG       LEU  11  -5.740   2.919   3.574
  113   HD11  LEU  11          HD21      LEU  11  -6.252   2.051   5.881
  114   HD12  LEU  11          HD22      LEU  11  -4.520   2.138   6.266
  115   HD13  LEU  11          HD23      LEU  11  -5.419   3.619   5.915
  116   HD21  LEU  11          HD11      LEU  11  -2.979   3.091   4.787
  117   HD22  LEU  11          HD12      LEU  11  -3.967   4.316   3.962
  118   HD23  LEU  11          HD13      LEU  11  -3.233   3.022   3.030
  119    H    LYS  12           H        LYS  12  -7.132   1.499   1.213
  120    HA   LYS  12           HA       LYS  12  -8.858   2.899   0.678
  121    HB2  LYS  12           HB1      LYS  12  -9.842   2.925   3.570
  122    HB3  LYS  12           HB2      LYS  12 -10.430   3.865   2.233
  123    HG2  LYS  12           HG1      LYS  12 -11.981   2.143   2.808
  124    HG3  LYS  12           HG2      LYS  12 -11.453   2.053   1.149
  125    HD2  LYS  12           HD1      LYS  12 -11.406  -0.123   1.496
  126    HD3  LYS  12           HD2      LYS  12  -9.845   0.104   2.233
  127    HE2  LYS  12           HE1      LYS  12 -12.503   0.125   3.749
  128    HE3  LYS  12           HE2      LYS  12 -11.580  -1.347   3.452
  129    HZ1  LYS  12           HZ1      LYS  12 -11.147  -0.363   5.655
  130    HZ2  LYS  12           HZ2      LYS  12  -9.771  -0.478   4.750
  131    HZ3  LYS  12           HZ3      LYS  12 -10.470   0.965   4.941
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1  11.227  -0.366   0.984
    2    HA   VAL   1           HA       VAL   1  11.054   1.666  -0.232
    3    HB   VAL   1           HB       VAL   1  11.889   1.325  -2.633
    4   HG11  VAL   1          HG21      VAL   1  13.389   1.944  -0.813
    5   HG12  VAL   1          HG22      VAL   1  14.184   0.884  -1.985
    6   HG13  VAL   1          HG23      VAL   1  13.655   0.227  -0.419
    7   HG21  VAL   1          HG11      VAL   1  12.903  -0.748  -3.298
    8   HG22  VAL   1          HG12      VAL   1  12.451  -1.544  -1.782
    9   HG23  VAL   1          HG13      VAL   1  11.201  -1.070  -2.958
   10    H    ARG   2           H        ARG   2   9.250  -1.042  -1.552
   11    HA   ARG   2           HA       ARG   2   7.130   0.723  -2.518
   12    HB2  ARG   2           HB1      ARG   2   9.154   0.454  -4.314
   13    HB3  ARG   2           HB2      ARG   2   8.221  -0.961  -4.761
   14    HG2  ARG   2           HG1      ARG   2   7.569   0.900  -6.139
   15    HG3  ARG   2           HG2      ARG   2   6.207   0.549  -5.071
   16    HD2  ARG   2           HD1      ARG   2   6.680   2.476  -3.690
   17    HD3  ARG   2           HD2      ARG   2   8.270   2.699  -4.404
   18    HE   ARG   2           HE       ARG   2   5.671   3.514  -5.512
   19   HH11  ARG   2          HH11      ARG   2   9.104   3.290  -6.101
   20   HH12  ARG   2          HH12      ARG   2   9.039   4.266  -7.537
   21   HH21  ARG   2          HH21      ARG   2   5.637   4.755  -7.395
   22   HH22  ARG   2          HH22      ARG   2   7.120   5.067  -8.239
   23    H    ARG   3           H        ARG   3   7.486  -1.635  -0.795
   24    HA   ARG   3           HA       ARG   3   4.752  -1.550  -0.844
   25    HB2  ARG   3           HB2      ARG   3   4.071  -3.899  -0.462
   26    HB3  ARG   3           HB1      ARG   3   4.494  -3.525  -2.086
   27    HG2  ARG   3           HG1      ARG   3   6.406  -5.038  -0.317
   28    HG3  ARG   3           HG2      ARG   3   5.076  -5.785  -1.199
   29    HD2  ARG   3           HD1      ARG   3   7.503  -4.433  -2.374
   30    HD3  ARG   3           HD2      ARG   3   7.018  -6.118  -2.510
   31    HE   ARG   3           HE       ARG   3   5.963  -3.789  -4.007
   32   HH11  ARG   3          HH11      ARG   3   5.376  -7.198  -3.392
   33   HH12  ARG   3          HH12      ARG   3   4.687  -7.459  -4.968
   34   HH21  ARG   3          HH21      ARG   3   5.206  -4.250  -6.060
   35   HH22  ARG   3          HH22      ARG   3   4.603  -5.835  -6.428
   36    H    PHE   4           H        PHE   4   5.332  -1.161   2.452
   37    HA   PHE   4           HA       PHE   4   3.253  -2.807   1.113
   38    HB2  PHE   4           HB1      PHE   4   4.766  -3.144   3.563
   39    HB3  PHE   4           HB2      PHE   4   3.107  -2.854   4.023
   40    HD1  PHE   4           HD1      PHE   4   5.296  -4.922   1.836
   41    HD2  PHE   4           HD2      PHE   4   1.406  -4.513   3.633
   42    HE1  PHE   4           HE1      PHE   4   4.634  -7.145   0.929
   43    HE2  PHE   4           HE2      PHE   4   0.736  -6.719   2.704
   44    HZ   PHE   4           HZ       PHE   4   2.347  -8.028   1.344
   45    H    ASP   5           H        ASP   5   3.493   0.352   1.592
   46    HA   ASP   5           HA       ASP   5   0.807   0.706   2.744
   47    HB2  ASP   5           HB1      ASP   5   1.203   3.114   2.203
   48    HB3  ASP   5           HB2      ASP   5   2.104   2.369   3.535
   49    H    LEU   6           H        LEU   6   2.412   1.480  -0.338
   50    HA   LEU   6           HA       LEU   6   0.407   1.961  -2.006
   51    HB2  LEU   6           HB1      LEU   6   1.708   1.539  -3.753
   52    HB3  LEU   6           HB2      LEU   6   2.905   1.378  -2.496
   53    HG   LEU   6           HG       LEU   6   3.469  -0.311  -3.877
   54   HD11  LEU   6          HD21      LEU   6   3.102  -2.372  -3.000
   55   HD12  LEU   6          HD22      LEU   6   1.456  -2.077  -2.547
   56   HD13  LEU   6          HD23      LEU   6   2.746  -1.311  -1.595
   57   HD21  LEU   6          HD11      LEU   6   2.119  -1.795  -5.203
   58   HD22  LEU   6          HD12      LEU   6   1.668  -0.119  -5.558
   59   HD23  LEU   6          HD13      LEU   6   0.622  -1.139  -4.545
   60    H    LEU   7           H        LEU   7   0.089  -0.963  -0.423
   61    HA   LEU   7           HA       LEU   7  -2.171  -1.709  -2.172
   62    HB2  LEU   7           HB1      LEU   7  -1.829  -3.940  -2.028
   63    HB3  LEU   7           HB2      LEU   7  -0.207  -3.327  -2.143
   64    HG   LEU   7           HG       LEU   7   0.047  -4.963  -0.611
   65   HD11  LEU   7          HD21      LEU   7  -0.446  -2.546   1.142
   66   HD12  LEU   7          HD22      LEU   7   1.073  -3.104   0.400
   67   HD13  LEU   7          HD23      LEU   7   0.270  -4.055   1.663
   68   HD21  LEU   7          HD11      LEU   7  -2.782  -4.535  -0.006
   69   HD22  LEU   7          HD12      LEU   7  -1.820  -4.903   1.446
   70   HD23  LEU   7          HD13      LEU   7  -1.782  -5.987   0.044
   71    H    LYS   8           H        LYS   8  -1.491  -0.468   0.907
   72    HA   LYS   8           HA       LYS   8  -4.256  -0.979   1.902
   73    HB2  LYS   8           HB1      LYS   8  -2.533   1.372   2.753
   74    HB3  LYS   8           HB2      LYS   8  -3.882   0.620   3.577
   75    HG2  LYS   8           HG1      LYS   8  -1.017  -0.251   3.426
   76    HG3  LYS   8           HG2      LYS   8  -2.027   0.033   4.841
   77    HD2  LYS   8           HD1      LYS   8  -3.350  -2.066   4.142
   78    HD3  LYS   8           HD2      LYS   8  -2.065  -2.378   2.973
   79    HE2  LYS   8           HE1      LYS   8  -1.918  -2.405   5.990
   80    HE3  LYS   8           HE2      LYS   8  -1.536  -3.689   4.834
   81    HZ1  LYS   8           HZ1      LYS   8   0.040  -1.233   5.342
   82    HZ2  LYS   8           HZ2      LYS   8   0.336  -2.194   4.069
   83    HZ3  LYS   8           HZ3      LYS   8   0.525  -2.781   5.598
   84    H    ARG   9           H        ARG   9  -2.383   1.249  -0.062
   85    HA   ARG   9           HA       ARG   9  -4.582   2.934  -0.909
   86    HB2  ARG   9           HB1      ARG   9  -2.203   3.526  -1.111
   87    HB3  ARG   9           HB2      ARG   9  -1.964   2.257  -2.311
   88    HG2  ARG   9           HG1      ARG   9  -3.242   3.374  -3.966
   89    HG3  ARG   9           HG2      ARG   9  -4.062   4.372  -2.762
   90    HD2  ARG   9           HD1      ARG   9  -2.692   5.996  -3.278
   91    HD3  ARG   9           HD2      ARG   9  -1.446   5.156  -2.365
   92    HE   ARG   9           HE       ARG   9  -0.910   4.020  -4.639
   93   HH11  ARG   9          HH11      ARG   9  -2.083   7.323  -4.449
   94   HH12  ARG   9          HH12      ARG   9  -1.211   7.829  -5.860
   95   HH21  ARG   9          HH21      ARG   9   0.146   4.738  -6.493
   96   HH22  ARG   9          HH22      ARG   9   0.011   6.406  -6.969
   97    H    ILE  10           H        ILE  10  -4.118  -0.381  -1.545
   98    HA   ILE  10           HA       ILE  10  -5.893  -0.257  -3.949
   99    HB   ILE  10           HB       ILE  10  -4.233  -2.517  -2.788
  100   HG12  ILE  10          HG12      ILE  10  -4.170  -1.202  -5.544
  101   HG13  ILE  10          HG13      ILE  10  -3.142  -0.688  -4.222
  102   HG21  ILE  10          HG21      ILE  10  -5.065  -3.906  -4.685
  103   HG22  ILE  10          HG22      ILE  10  -6.225  -2.624  -5.088
  104   HG23  ILE  10          HG23      ILE  10  -6.339  -3.504  -3.550
  105   HD11  ILE  10          HD11      ILE  10  -1.894  -2.138  -5.691
  106   HD12  ILE  10          HD12      ILE  10  -2.085  -2.920  -4.116
  107   HD13  ILE  10          HD13      ILE  10  -3.067  -3.445  -5.498
  108    H    LEU  11           H        LEU  11  -5.783  -1.286  -0.550
  109    HA   LEU  11           HA       LEU  11  -8.518  -2.268  -0.650
  110    HB2  LEU  11           HB1      LEU  11  -7.925  -3.392   1.139
  111    HB3  LEU  11           HB2      LEU  11  -6.320  -2.804   0.875
  112    HG   LEU  11           HG       LEU  11  -7.325  -0.753   2.425
  113   HD11  LEU  11          HD21      LEU  11  -9.504  -2.004   2.711
  114   HD12  LEU  11          HD22      LEU  11  -8.613  -3.327   3.451
  115   HD13  LEU  11          HD23      LEU  11  -8.654  -1.740   4.247
  116   HD21  LEU  11          HD11      LEU  11  -6.423  -2.975   4.136
  117   HD22  LEU  11          HD12      LEU  11  -5.766  -1.350   3.890
  118   HD23  LEU  11          HD13      LEU  11  -5.348  -2.670   2.776
  119    H    LYS  12           H        LYS  12  -7.257   0.908  -0.287
  120    HA   LYS  12           HA       LYS  12 -10.012   1.858   0.457
  121    HB2  LYS  12           HB1      LYS  12  -7.526   3.586   0.702
  122    HB3  LYS  12           HB2      LYS  12  -9.124   3.860   1.367
  123    HG2  LYS  12           HG1      LYS  12  -7.066   1.814   2.288
  124    HG3  LYS  12           HG2      LYS  12  -7.478   3.309   3.097
  125    HD2  LYS  12           HD1      LYS  12  -9.386   0.970   2.698
  126    HD3  LYS  12           HD2      LYS  12  -8.435   1.247   4.148
  127    HE2  LYS  12           HE1      LYS  12  -9.786   2.872   4.931
  128    HE3  LYS  12           HE2      LYS  12  -9.978   3.634   3.350
  129    HZ1  LYS  12           HZ1      LYS  12 -12.067   2.659   4.206
  130    HZ2  LYS  12           HZ2      LYS  12 -11.626   1.986   2.772
  131    HZ3  LYS  12           HZ3      LYS  12 -11.399   1.157   4.163
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1  11.127  -2.041  -0.847
    2    HA   VAL   1           HA       VAL   1  11.891  -0.729  -3.387
    3    HB   VAL   1           HB       VAL   1  11.206  -2.577  -4.765
    4   HG11  VAL   1          HG21      VAL   1  13.565  -2.381  -4.004
    5   HG12  VAL   1          HG22      VAL   1  13.224  -3.509  -2.675
    6   HG13  VAL   1          HG23      VAL   1  13.105  -4.057  -4.359
    7   HG21  VAL   1          HG11      VAL   1  10.864  -4.867  -3.856
    8   HG22  VAL   1          HG12      VAL   1  10.767  -4.196  -2.222
    9   HG23  VAL   1          HG13      VAL   1   9.543  -3.773  -3.444
   10    H    ARG   2           H        ARG   2  10.347   0.284  -4.369
   11    HA   ARG   2           HA       ARG   2   8.260   1.620  -3.470
   12    HB2  ARG   2           HB1      ARG   2   9.182   0.746  -6.124
   13    HB3  ARG   2           HB2      ARG   2   7.468   1.048  -6.137
   14    HG2  ARG   2           HG1      ARG   2   8.624   3.013  -6.814
   15    HG3  ARG   2           HG2      ARG   2   7.784   3.321  -5.295
   16    HD2  ARG   2           HD1      ARG   2   9.892   3.209  -4.055
   17    HD3  ARG   2           HD2      ARG   2  10.755   2.685  -5.511
   18    HE   ARG   2           HE       ARG   2   9.385   5.348  -5.341
   19   HH11  ARG   2          HH12      ARG   2  12.436   3.675  -5.844
   20   HH12  ARG   2          HH11      ARG   2  13.197   5.095  -6.491
   21   HH21  ARG   2          HH22      ARG   2  10.434   7.102  -6.240
   22   HH22  ARG   2          HH21      ARG   2  12.097   6.963  -6.699
   23    H    ARG   3           H        ARG   3   7.279   0.341  -1.894
   24    HA   ARG   3           HA       ARG   3   4.685  -0.782  -2.347
   25    HB2  ARG   3           HB1      ARG   3   6.219  -2.601  -3.227
   26    HB3  ARG   3           HB2      ARG   3   6.954  -2.709  -1.644
   27    HG2  ARG   3           HG1      ARG   3   4.316  -3.245  -1.046
   28    HG3  ARG   3           HG2      ARG   3   4.387  -3.786  -2.702
   29    HD2  ARG   3           HD1      ARG   3   4.792  -5.617  -1.183
   30    HD3  ARG   3           HD2      ARG   3   6.196  -5.336  -2.215
   31    HE   ARG   3           HE       ARG   3   7.181  -4.075  -0.220
   32   HH11  ARG   3          HH12      ARG   3   5.411  -7.055   0.071
   33   HH12  ARG   3          HH11      ARG   3   6.066  -7.400   1.645
   34   HH21  ARG   3          HH22      ARG   3   7.872  -4.499   1.882
   35   HH22  ARG   3          HH21      ARG   3   7.394  -5.985   2.630
   36    H    PHE   4           H        PHE   4   5.083  -2.333   0.221
   37    HA   PHE   4           HA       PHE   4   3.106  -1.010   0.438
   38    HB2  PHE   4           HB1      PHE   4   4.294  -2.678   2.571
   39    HB3  PHE   4           HB2      PHE   4   2.686  -2.068   2.827
   40    HD1  PHE   4           HD2      PHE   4   1.603  -2.188   0.002
   41    HD2  PHE   4           HD1      PHE   4   3.812  -5.038   2.316
   42    HE1  PHE   4           HE2      PHE   4   0.857  -3.985  -1.525
   43    HE2  PHE   4           HE1      PHE   4   2.936  -6.858   0.863
   44    HZ   PHE   4           HZ       PHE   4   1.531  -6.319  -1.108
   45    H    ASP   5           H        ASP   5   4.148   1.748   0.657
   46    HA   ASP   5           HA       ASP   5   1.376   1.770   1.541
   47    HB2  ASP   5           HB1      ASP   5   1.255   4.135   1.103
   48    HB3  ASP   5           HB2      ASP   5   2.401   3.557   2.331
   49    H    LEU   6           H        LEU   6   1.993   0.105  -0.823
   50    HA   LEU   6           HA       LEU   6  -0.556   1.054  -2.070
   51    HB2  LEU   6           HB1      LEU   6   0.053  -0.100  -4.167
   52    HB3  LEU   6           HB2      LEU   6   0.886   1.377  -3.717
   53    HG   LEU   6           HG       LEU   6   2.908   0.246  -3.186
   54   HD11  LEU   6          HD21      LEU   6   1.405  -2.337  -3.777
   55   HD12  LEU   6          HD22      LEU   6   3.161  -2.201  -3.705
   56   HD13  LEU   6          HD23      LEU   6   2.215  -1.857  -2.252
   57   HD21  LEU   6          HD11      LEU   6   2.410   0.847  -5.547
   58   HD22  LEU   6          HD12      LEU   6   3.520  -0.515  -5.397
   59   HD23  LEU   6          HD13      LEU   6   1.815  -0.813  -5.825
   60    H    LEU   7           H        LEU   7  -0.011  -1.239   0.111
   61    HA   LEU   7           HA       LEU   7  -2.676  -2.255  -0.788
   62    HB2  LEU   7           HB1      LEU   7  -2.745  -4.090   0.405
   63    HB3  LEU   7           HB2      LEU   7  -1.265  -4.158  -0.474
   64    HG   LEU   7           HG       LEU   7  -0.137  -4.691   1.373
   65   HD11  LEU   7          HD21      LEU   7   0.101  -3.493   3.375
   66   HD12  LEU   7          HD22      LEU   7  -1.421  -2.621   3.135
   67   HD13  LEU   7          HD23      LEU   7   0.008  -2.279   2.102
   68   HD21  LEU   7          HD11      LEU   7  -2.102  -5.987   1.863
   69   HD22  LEU   7          HD12      LEU   7  -1.378  -5.419   3.370
   70   HD23  LEU   7          HD13      LEU   7  -2.844  -4.628   2.740
   71    H    LYS   8           H        LYS   8  -1.143  -0.187   1.532
   72    HA   LYS   8           HA       LYS   8  -3.788   0.344   2.727
   73    HB2  LYS   8           HB1      LYS   8  -1.432   2.226   2.780
   74    HB3  LYS   8           HB2      LYS   8  -2.862   2.243   3.782
   75    HG2  LYS   8           HG1      LYS   8  -0.367   0.648   4.024
   76    HG3  LYS   8           HG2      LYS   8  -1.257   1.503   5.258
   77    HD2  LYS   8           HD1      LYS   8  -2.635  -0.921   4.260
   78    HD3  LYS   8           HD2      LYS   8  -1.049  -1.235   4.916
   79    HE2  LYS   8           HE1      LYS   8  -3.141   0.270   6.515
   80    HE3  LYS   8           HE2      LYS   8  -3.114  -1.489   6.413
   81    HZ1  LYS   8           HZ1      LYS   8  -1.907  -0.826   8.339
   82    HZ2  LYS   8           HZ2      LYS   8  -0.833  -1.456   7.284
   83    HZ3  LYS   8           HZ3      LYS   8  -0.914   0.174   7.497
   84    H    ARG   9           H        ARG   9  -2.861   0.514  -0.338
   85    HA   ARG   9           HA       ARG   9  -4.875   2.617  -1.025
   86    HB2  ARG   9           HB1      ARG   9  -2.989   1.064  -2.840
   87    HB3  ARG   9           HB2      ARG   9  -4.279   2.122  -3.401
   88    HG2  ARG   9           HG1      ARG   9  -3.262   4.063  -2.288
   89    HG3  ARG   9           HG2      ARG   9  -2.022   3.039  -1.574
   90    HD2  ARG   9           HD1      ARG   9  -0.956   4.111  -3.353
   91    HD3  ARG   9           HD2      ARG   9  -1.235   2.469  -3.918
   92    HE   ARG   9           HE       ARG   9  -3.115   3.268  -5.264
   93   HH11  ARG   9          HH11      ARG   9  -0.788   5.743  -4.365
   94   HH12  ARG   9          HH12      ARG   9  -1.402   6.861  -5.547
   95   HH21  ARG   9          HH21      ARG   9  -3.910   4.800  -6.666
   96   HH22  ARG   9          HH22      ARG   9  -3.118   6.335  -6.801
   97    H    ILE  10           H        ILE  10  -4.218  -0.876  -1.638
   98    HA   ILE  10           HA       ILE  10  -6.738  -1.404  -2.778
   99    HB   ILE  10           HB       ILE  10  -4.864  -3.285  -1.306
  100   HG12  ILE  10          HG13      ILE  10  -5.101  -2.961  -4.332
  101   HG13  ILE  10          HG12      ILE  10  -4.032  -1.926  -3.408
  102   HG21  ILE  10          HG21      ILE  10  -5.911  -5.094  -2.655
  103   HG22  ILE  10          HG22      ILE  10  -7.098  -4.343  -1.593
  104   HG23  ILE  10          HG23      ILE  10  -7.078  -3.934  -3.314
  105   HD11  ILE  10          HD11      ILE  10  -2.673  -3.677  -4.199
  106   HD12  ILE  10          HD12      ILE  10  -3.823  -4.929  -3.696
  107   HD13  ILE  10          HD13      ILE  10  -2.913  -4.008  -2.474
  108    H    LEU  11           H        LEU  11  -5.907  -1.556   0.720
  109    HA   LEU  11           HA       LEU  11  -8.589  -2.503   1.339
  110    HB2  LEU  11           HB1      LEU  11  -7.705  -3.265   3.170
  111    HB3  LEU  11           HB2      LEU  11  -6.175  -2.820   2.517
  112    HG   LEU  11           HG       LEU  11  -6.913  -0.488   3.914
  113   HD11  LEU  11          HD21      LEU  11  -8.805  -1.820   4.977
  114   HD12  LEU  11          HD22      LEU  11  -7.603  -2.961   5.596
  115   HD13  LEU  11          HD23      LEU  11  -7.598  -1.269   6.143
  116   HD21  LEU  11          HD11      LEU  11  -4.715  -1.542   3.862
  117   HD22  LEU  11          HD12      LEU  11  -5.251  -1.148   5.521
  118   HD23  LEU  11          HD13      LEU  11  -5.293  -2.831   4.940
  119    H    LYS  12           H        LYS  12  -8.477   0.179  -0.034
  120    HA   LYS  12           HA       LYS  12  -9.084   2.232   1.956
  121    HB2  LYS  12           HB1      LYS  12  -8.672   2.203  -0.912
  122    HB3  LYS  12           HB2      LYS  12 -10.252   2.849  -0.647
  123    HG2  LYS  12           HG1      LYS  12  -8.820   4.681  -0.766
  124    HG3  LYS  12           HG2      LYS  12  -9.318   4.559   0.914
  125    HD2  LYS  12           HD1      LYS  12  -6.843   3.085   0.618
  126    HD3  LYS  12           HD2      LYS  12  -6.672   4.607  -0.270
  127    HE2  LYS  12           HE1      LYS  12  -7.437   5.869   1.739
  128    HE3  LYS  12           HE2      LYS  12  -7.529   4.353   2.648
  129    HZ1  LYS  12           HZ1      LYS  12  -5.385   5.641   2.893
  130    HZ2  LYS  12           HZ2      LYS  12  -5.184   4.061   2.405
  131    HZ3  LYS  12           HZ3      LYS  12  -5.036   5.255   1.326
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1  10.134  -5.037  -2.483
    2    HA   VAL   1           HA       VAL   1  12.038  -3.056  -3.589
    3    HB   VAL   1           HB       VAL   1  11.858  -5.725  -4.462
    4   HG11  VAL   1          HG21      VAL   1  11.472  -5.571  -6.868
    5   HG12  VAL   1          HG22      VAL   1  10.869  -3.914  -6.696
    6   HG13  VAL   1          HG23      VAL   1   9.981  -5.284  -5.974
    7   HG21  VAL   1          HG11      VAL   1  13.843  -4.302  -4.421
    8   HG22  VAL   1          HG12      VAL   1  13.610  -5.003  -6.022
    9   HG23  VAL   1          HG13      VAL   1  13.184  -3.302  -5.741
   10    H    ARG   2           H        ARG   2  10.946  -1.303  -3.440
   11    HA   ARG   2           HA       ARG   2   9.215   0.155  -3.222
   12    HB2  ARG   2           HB1      ARG   2   9.666  -0.553  -6.072
   13    HB3  ARG   2           HB2      ARG   2   8.268   0.451  -5.798
   14    HG2  ARG   2           HG1      ARG   2  11.010   1.082  -4.646
   15    HG3  ARG   2           HG2      ARG   2  10.454   1.686  -6.202
   16    HD2  ARG   2           HD1      ARG   2   9.139   2.268  -3.505
   17    HD3  ARG   2           HD2      ARG   2  10.206   3.351  -4.387
   18    HE   ARG   2           HE       ARG   2   8.533   3.402  -6.218
   19   HH11  ARG   2          HH12      ARG   2   7.339   2.809  -2.947
   20   HH12  ARG   2          HH11      ARG   2   5.777   3.440  -3.319
   21   HH21  ARG   2          HH22      ARG   2   6.504   4.143  -6.610
   22   HH22  ARG   2          HH21      ARG   2   5.333   4.202  -5.327
   23    H    ARG   3           H        ARG   3   8.051  -2.332  -2.295
   24    HA   ARG   3           HA       ARG   3   5.284  -1.269  -2.636
   25    HB2  ARG   3           HB1      ARG   3   4.162  -3.180  -2.668
   26    HB3  ARG   3           HB2      ARG   3   5.412  -3.231  -3.854
   27    HG2  ARG   3           HG1      ARG   3   5.438  -4.865  -1.275
   28    HG3  ARG   3           HG2      ARG   3   4.919  -5.397  -2.879
   29    HD2  ARG   3           HD1      ARG   3   7.290  -4.532  -3.594
   30    HD3  ARG   3           HD2      ARG   3   7.692  -4.787  -1.901
   31    HE   ARG   3           HE       ARG   3   7.514  -7.136  -2.250
   32   HH11  ARG   3          HH12      ARG   3   6.864  -5.415  -5.192
   33   HH12  ARG   3          HH11      ARG   3   6.681  -6.855  -6.157
   34   HH21  ARG   3          HH22      ARG   3   7.377  -8.987  -3.556
   35   HH22  ARG   3          HH21      ARG   3   7.003  -8.811  -5.244
   36    H    PHE   4           H        PHE   4   5.344  -3.487  -0.099
   37    HA   PHE   4           HA       PHE   4   3.096  -2.298   0.185
   38    HB2  PHE   4           HB1      PHE   4   4.384  -4.416   1.722
   39    HB3  PHE   4           HB2      PHE   4   2.788  -3.925   2.184
   40    HD1  PHE   4           HD1      PHE   4   2.556  -3.457  -1.311
   41    HD2  PHE   4           HD2      PHE   4   3.011  -6.622   1.584
   42    HE1  PHE   4           HE1      PHE   4   1.947  -5.117  -3.016
   43    HE2  PHE   4           HE2      PHE   4   2.276  -8.254  -0.123
   44    HZ   PHE   4           HZ       PHE   4   1.801  -7.514  -2.443
   45    H    ASP   5           H        ASP   5   4.801  -0.038   1.602
   46    HA   ASP   5           HA       ASP   5   1.969   0.690   2.047
   47    HB2  ASP   5           HB1      ASP   5   2.704   2.916   2.826
   48    HB3  ASP   5           HB2      ASP   5   3.068   1.502   3.807
   49    H    LEU   6           H        LEU   6   3.442   0.174  -0.630
   50    HA   LEU   6           HA       LEU   6   0.781   1.321  -1.310
   51    HB2  LEU   6           HB1      LEU   6   1.163   1.903  -3.243
   52    HB3  LEU   6           HB2      LEU   6   2.831   1.537  -3.057
   53    HG   LEU   6           HG       LEU   6   2.276   0.784  -5.108
   54   HD11  LEU   6          HD21      LEU   6   3.578  -0.899  -4.314
   55   HD12  LEU   6          HD22      LEU   6   2.279  -1.649  -3.348
   56   HD13  LEU   6          HD23      LEU   6   2.246  -1.740  -5.126
   57   HD21  LEU   6          HD11      LEU   6   0.435  -0.455  -5.885
   58   HD22  LEU   6          HD12      LEU   6  -0.147   0.963  -5.003
   59   HD23  LEU   6          HD13      LEU   6  -0.229  -0.669  -4.282
   60    H    LEU   7           H        LEU   7  -0.575  -0.292  -2.650
   61    HA   LEU   7           HA       LEU   7  -2.375  -1.428  -1.966
   62    HB2  LEU   7           HB1      LEU   7  -0.527  -3.249  -0.409
   63    HB3  LEU   7           HB2      LEU   7  -2.261  -3.358  -0.339
   64    HG   LEU   7           HG       LEU   7  -2.492  -3.911  -2.653
   65   HD11  LEU   7          HD21      LEU   7  -0.904  -2.809  -3.916
   66   HD12  LEU   7          HD22      LEU   7   0.444  -3.324  -2.863
   67   HD13  LEU   7          HD23      LEU   7  -0.356  -4.486  -3.964
   68   HD21  LEU   7          HD11      LEU   7  -2.050  -5.712  -1.043
   69   HD22  LEU   7          HD12      LEU   7  -0.313  -5.487  -1.223
   70   HD23  LEU   7          HD13      LEU   7  -1.283  -6.100  -2.585
   71    H    LYS   8           H        LYS   8  -0.745   0.697  -0.091
   72    HA   LYS   8           HA       LYS   8  -3.217   1.037   1.535
   73    HB2  LYS   8           HB1      LYS   8  -1.234   3.222   1.132
   74    HB3  LYS   8           HB2      LYS   8  -2.401   2.987   2.402
   75    HG2  LYS   8           HG1      LYS   8   0.310   1.908   2.060
   76    HG3  LYS   8           HG2      LYS   8  -0.372   2.654   3.456
   77    HD2  LYS   8           HD1      LYS   8  -0.722  -0.265   2.600
   78    HD3  LYS   8           HD2      LYS   8   0.454   0.370   3.718
   79    HE2  LYS   8           HE1      LYS   8  -1.355   1.133   5.232
   80    HE3  LYS   8           HE2      LYS   8  -2.541   0.344   4.169
   81    HZ1  LYS   8           HZ1      LYS   8  -1.764  -1.086   6.048
   82    HZ2  LYS   8           HZ2      LYS   8  -1.413  -1.770   4.587
   83    HZ3  LYS   8           HZ3      LYS   8  -0.236  -1.038   5.451
   84    H    ARG   9           H        ARG   9  -3.230   0.533  -1.334
   85    HA   ARG   9           HA       ARG   9  -5.438   2.477  -1.757
   86    HB2  ARG   9           HB1      ARG   9  -3.868   0.996  -3.879
   87    HB3  ARG   9           HB2      ARG   9  -5.573   1.322  -4.135
   88    HG2  ARG   9           HG1      ARG   9  -5.321   3.491  -4.537
   89    HG3  ARG   9           HG2      ARG   9  -4.214   3.741  -3.199
   90    HD2  ARG   9           HD1      ARG   9  -3.237   4.293  -5.428
   91    HD3  ARG   9           HD2      ARG   9  -2.316   3.140  -4.478
   92    HE   ARG   9           HE       ARG   9  -2.741   1.444  -6.003
   93   HH11  ARG   9          HH11      ARG   9  -4.434   4.300  -7.147
   94   HH12  ARG   9          HH12      ARG   9  -4.703   3.601  -8.714
   95   HH21  ARG   9          HH21      ARG   9  -3.239   0.583  -7.978
   96   HH22  ARG   9          HH22      ARG   9  -4.049   1.560  -9.156
   97    H    ILE  10           H        ILE  10  -4.664  -0.632  -0.755
   98    HA   ILE  10           HA       ILE  10  -7.405  -1.683  -1.209
   99    HB   ILE  10           HB       ILE  10  -4.813  -2.967  -0.301
  100   HG12  ILE  10          HG12      ILE  10  -6.691  -3.130  -2.710
  101   HG13  ILE  10          HG13      ILE  10  -4.996  -2.643  -2.680
  102   HG21  ILE  10          HG21      ILE  10  -6.028  -5.088  -0.086
  103   HG22  ILE  10          HG22      ILE  10  -6.557  -3.919   1.113
  104   HG23  ILE  10          HG23      ILE  10  -7.574  -4.253  -0.317
  105   HD11  ILE  10          HD11      ILE  10  -6.208  -5.394  -2.737
  106   HD12  ILE  10          HD12      ILE  10  -4.974  -4.652  -3.766
  107   HD13  ILE  10          HD13      ILE  10  -4.556  -5.169  -2.106
  108    H    LEU  11           H        LEU  11  -5.222  -0.657   1.464
  109    HA   LEU  11           HA       LEU  11  -7.586   0.542   2.740
  110    HB2  LEU  11           HB1      LEU  11  -5.865   0.121   4.207
  111    HB3  LEU  11           HB2      LEU  11  -4.658   1.007   3.296
  112    HG   LEU  11           HG       LEU  11  -6.905   2.771   4.105
  113   HD11  LEU  11          HD21      LEU  11  -7.162   1.299   6.027
  114   HD12  LEU  11          HD22      LEU  11  -5.401   1.380   6.343
  115   HD13  LEU  11          HD23      LEU  11  -6.403   2.829   6.495
  116   HD21  LEU  11          HD11      LEU  11  -3.998   2.860   5.080
  117   HD22  LEU  11          HD12      LEU  11  -4.478   3.432   3.457
  118   HD23  LEU  11          HD13      LEU  11  -5.164   4.186   4.891
  119    H    LYS  12           H        LYS  12  -8.220   1.012   0.309
  120    HA   LYS  12           HA       LYS  12  -9.363   2.751  -0.724
  121    HB2  LYS  12           HB1      LYS  12  -9.111   4.117   1.991
  122    HB3  LYS  12           HB2      LYS  12 -10.284   4.462   0.736
  123    HG2  LYS  12           HG1      LYS  12 -11.631   3.226   2.076
  124    HG3  LYS  12           HG2      LYS  12 -10.979   1.897   1.107
  125    HD2  LYS  12           HD1      LYS  12  -9.142   1.777   2.977
  126    HD3  LYS  12           HD2      LYS  12 -10.144   2.877   3.876
  127    HE2  LYS  12           HE1      LYS  12 -10.455   0.625   4.668
  128    HE3  LYS  12           HE2      LYS  12 -11.956   1.241   3.971
  129    HZ1  LYS  12           HZ1      LYS  12 -11.574  -1.022   3.266
  130    HZ2  LYS  12           HZ2      LYS  12 -11.440  -0.059   1.950
  131    HZ3  LYS  12           HZ3      LYS  12 -10.086  -0.662   2.638
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1  10.342  -3.318  -2.345
    2    HA   VAL   1           HA       VAL   1  11.553  -1.476  -4.276
    3    HB   VAL   1           HB       VAL   1  12.321  -3.817  -4.204
    4   HG11  VAL   1          HG21      VAL   1  11.216  -5.591  -5.273
    5   HG12  VAL   1          HG22      VAL   1   9.937  -4.557  -5.931
    6   HG13  VAL   1          HG23      VAL   1   9.994  -4.905  -4.182
    7   HG21  VAL   1          HG11      VAL   1  12.860  -2.308  -6.033
    8   HG22  VAL   1          HG12      VAL   1  12.587  -3.942  -6.655
    9   HG23  VAL   1          HG13      VAL   1  11.329  -2.704  -6.861
   10    H    ARG   2           H        ARG   2   9.984   0.021  -3.964
   11    HA   ARG   2           HA       ARG   2   7.995   1.131  -4.141
   12    HB2  ARG   2           HB1      ARG   2   8.794   0.642  -6.621
   13    HB3  ARG   2           HB2      ARG   2   7.373  -0.395  -6.684
   14    HG2  ARG   2           HG1      ARG   2   6.897   1.802  -7.584
   15    HG3  ARG   2           HG2      ARG   2   5.942   1.552  -6.123
   16    HD2  ARG   2           HD1      ARG   2   8.604   2.854  -5.681
   17    HD3  ARG   2           HD2      ARG   2   7.549   3.778  -6.733
   18    HE   ARG   2           HE       ARG   2   7.366   3.598  -3.887
   19   HH11  ARG   2          HH12      ARG   2   5.238   3.756  -6.614
   20   HH12  ARG   2          HH11      ARG   2   3.907   4.383  -5.665
   21   HH21  ARG   2          HH22      ARG   2   5.574   4.277  -2.661
   22   HH22  ARG   2          HH21      ARG   2   4.106   4.612  -3.459
   23    H    ARG   3           H        ARG   3   8.081  -1.122  -2.599
   24    HA   ARG   3           HA       ARG   3   5.222  -1.909  -2.660
   25    HB2  ARG   3           HB1      ARG   3   7.110  -3.669  -2.882
   26    HB3  ARG   3           HB2      ARG   3   7.278  -3.538  -1.139
   27    HG2  ARG   3           HG1      ARG   3   5.523  -4.973  -0.862
   28    HG3  ARG   3           HG2      ARG   3   4.452  -3.951  -1.830
   29    HD2  ARG   3           HD1      ARG   3   5.490  -4.960  -3.895
   30    HD3  ARG   3           HD2      ARG   3   6.105  -6.244  -2.805
   31    HE   ARG   3           HE       ARG   3   3.422  -6.096  -2.169
   32   HH11  ARG   3          HH12      ARG   3   5.127  -6.700  -5.147
   33   HH12  ARG   3          HH11      ARG   3   3.822  -7.612  -5.845
   34   HH21  ARG   3          HH22      ARG   3   1.706  -7.261  -3.174
   35   HH22  ARG   3          HH21      ARG   3   1.968  -7.893  -4.764
   36    H    PHE   4           H        PHE   4   6.133  -2.569   0.473
   37    HA   PHE   4           HA       PHE   4   3.761  -1.453   0.892
   38    HB2  PHE   4           HB1      PHE   4   5.657  -2.726   2.796
   39    HB3  PHE   4           HB2      PHE   4   4.052  -2.253   3.284
   40    HD1  PHE   4           HD2      PHE   4   3.450  -3.119  -0.089
   41    HD2  PHE   4           HD1      PHE   4   4.402  -4.863   3.749
   42    HE1  PHE   4           HE2      PHE   4   2.295  -5.167  -0.739
   43    HE2  PHE   4           HE1      PHE   4   3.300  -6.966   3.026
   44    HZ   PHE   4           HZ       PHE   4   2.249  -7.124   0.787
   45    H    ASP   5           H        ASP   5   4.518   1.093   0.281
   46    HA   ASP   5           HA       ASP   5   2.054   1.268   1.958
   47    HB2  ASP   5           HB1      ASP   5   1.862   3.672   1.628
   48    HB3  ASP   5           HB2      ASP   5   3.113   3.093   2.705
   49    H    LEU   6           H        LEU   6   2.402  -0.276  -0.407
   50    HA   LEU   6           HA       LEU   6  -0.003   0.862  -1.803
   51    HB2  LEU   6           HB1      LEU   6   0.680   0.453  -3.831
   52    HB3  LEU   6           HB2      LEU   6   2.209   0.839  -3.054
   53    HG   LEU   6           HG       LEU   6   2.862  -0.860  -4.325
   54   HD11  LEU   6          HD21      LEU   6   3.188  -2.877  -3.186
   55   HD12  LEU   6          HD22      LEU   6   3.173  -1.599  -1.941
   56   HD13  LEU   6          HD23      LEU   6   1.766  -2.704  -2.120
   57   HD21  LEU   6          HD11      LEU   6   1.653  -2.736  -5.165
   58   HD22  LEU   6          HD12      LEU   6   0.641  -1.290  -5.379
   59   HD23  LEU   6          HD13      LEU   6   0.293  -2.434  -4.038
   60    H    LEU   7           H        LEU   7   0.682  -1.740   0.188
   61    HA   LEU   7           HA       LEU   7  -1.989  -2.841  -0.623
   62    HB2  LEU   7           HB1      LEU   7  -1.695  -4.699   0.523
   63    HB3  LEU   7           HB2      LEU   7  -0.030  -4.396   0.062
   64    HG   LEU   7           HG       LEU   7  -1.300  -3.802   2.794
   65   HD11  LEU   7          HD21      LEU   7  -1.118  -6.004   3.010
   66   HD12  LEU   7          HD22      LEU   7   0.008  -6.196   1.661
   67   HD13  LEU   7          HD23      LEU   7   0.607  -5.702   3.254
   68   HD21  LEU   7          HD11      LEU   7   1.416  -3.286   1.650
   69   HD22  LEU   7          HD12      LEU   7   0.486  -2.231   2.640
   70   HD23  LEU   7          HD13      LEU   7   1.272  -3.618   3.381
   71    H    LYS   8           H        LYS   8  -0.386  -0.762   1.651
   72    HA   LYS   8           HA       LYS   8  -2.945  -0.046   2.896
   73    HB2  LYS   8           HB1      LYS   8  -0.104   0.825   3.422
   74    HB3  LYS   8           HB2      LYS   8  -1.468   1.785   3.980
   75    HG2  LYS   8           HG1      LYS   8  -0.587   0.397   5.750
   76    HG3  LYS   8           HG2      LYS   8  -2.277   0.059   5.419
   77    HD2  LYS   8           HD1      LYS   8  -1.561  -1.970   4.127
   78    HD3  LYS   8           HD2      LYS   8   0.106  -1.669   4.685
   79    HE2  LYS   8           HE1      LYS   8  -2.227  -2.089   6.590
   80    HE3  LYS   8           HE2      LYS   8  -1.408  -3.447   5.816
   81    HZ1  LYS   8           HZ1      LYS   8  -0.455  -2.976   7.982
   82    HZ2  LYS   8           HZ2      LYS   8  -0.043  -1.451   7.533
   83    HZ3  LYS   8           HZ3      LYS   8   0.672  -2.746   6.815
   84    H    ARG   9           H        ARG   9  -2.142   0.086   0.017
   85    HA   ARG   9           HA       ARG   9  -3.991   2.395  -0.447
   86    HB2  ARG   9           HB1      ARG   9  -2.223   0.962  -2.463
   87    HB3  ARG   9           HB2      ARG   9  -3.704   1.789  -2.884
   88    HG2  ARG   9           HG1      ARG   9  -2.430   3.759  -1.440
   89    HG3  ARG   9           HG2      ARG   9  -1.061   2.968  -2.229
   90    HD2  ARG   9           HD1      ARG   9  -3.580   3.806  -3.754
   91    HD3  ARG   9           HD2      ARG   9  -2.237   4.896  -3.438
   92    HE   ARG   9           HE       ARG   9  -0.969   3.923  -5.033
   93   HH11  ARG   9          HH11      ARG   9  -3.663   1.705  -4.636
   94   HH12  ARG   9          HH12      ARG   9  -3.266   0.833  -6.090
   95   HH21  ARG   9          HH21      ARG   9  -0.649   2.863  -6.947
   96   HH22  ARG   9          HH22      ARG   9  -1.633   1.497  -7.362
   97    H    ILE  10           H        ILE  10  -3.510  -1.140  -0.916
   98    HA   ILE  10           HA       ILE  10  -6.044  -1.440  -2.291
   99    HB   ILE  10           HB       ILE  10  -4.266  -3.587  -1.101
  100   HG12  ILE  10          HG13      ILE  10  -4.592  -2.843  -4.052
  101   HG13  ILE  10          HG12      ILE  10  -3.364  -2.099  -3.054
  102   HG21  ILE  10          HG21      ILE  10  -5.542  -5.090  -2.702
  103   HG22  ILE  10          HG22      ILE  10  -6.650  -3.743  -3.021
  104   HG23  ILE  10          HG23      ILE  10  -6.551  -4.462  -1.403
  105   HD11  ILE  10          HD11      ILE  10  -2.293  -3.871  -4.199
  106   HD12  ILE  10          HD12      ILE  10  -3.552  -5.036  -3.770
  107   HD13  ILE  10          HD13      ILE  10  -2.459  -4.405  -2.515
  108    H    LEU  11           H        LEU  11  -5.168  -1.520   1.137
  109    HA   LEU  11           HA       LEU  11  -7.721  -2.320   2.121
  110    HB2  LEU  11           HB1      LEU  11  -6.753  -2.025   4.058
  111    HB3  LEU  11           HB2      LEU  11  -5.291  -1.530   3.235
  112    HG   LEU  11           HG       LEU  11  -6.895   0.875   3.600
  113   HD11  LEU  11          HD21      LEU  11  -8.173  -0.373   5.267
  114   HD12  LEU  11          HD22      LEU  11  -7.252   0.973   5.930
  115   HD13  LEU  11          HD23      LEU  11  -6.662  -0.693   6.180
  116   HD21  LEU  11          HD11      LEU  11  -5.083   1.461   5.222
  117   HD22  LEU  11          HD12      LEU  11  -4.399  -0.161   4.964
  118   HD23  LEU  11          HD13      LEU  11  -4.562   1.015   3.618
  119    H    LYS  12           H        LYS  12  -7.235   0.153   0.074
  120    HA   LYS  12           HA       LYS  12  -7.746   2.343  -0.260
  121    HB2  LYS  12           HB1      LYS  12  -9.466   2.508   2.275
  122    HB3  LYS  12           HB2      LYS  12  -9.293   3.643   0.992
  123    HG2  LYS  12           HG1      LYS  12 -10.629   0.907   0.861
  124    HG3  LYS  12           HG2      LYS  12 -11.383   2.499   0.665
  125    HD2  LYS  12           HD1      LYS  12  -9.956   2.748  -1.487
  126    HD3  LYS  12           HD2      LYS  12  -9.508   1.048  -1.284
  127    HE2  LYS  12           HE1      LYS  12 -11.301   1.249  -2.888
  128    HE3  LYS  12           HE2      LYS  12 -11.820   0.324  -1.480
  129    HZ1  LYS  12           HZ1      LYS  12 -13.455   2.021  -2.253
  130    HZ2  LYS  12           HZ2      LYS  12 -13.023   2.220  -0.682
  131    HZ3  LYS  12           HZ3      LYS  12 -12.404   3.216  -1.836
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1  13.278   0.614  -2.494
    2    HA   VAL   1           HA       VAL   1  10.993  -0.335  -0.898
    3    HB   VAL   1           HB       VAL   1  10.602   1.646   0.137
    4   HG11  VAL   1          HG21      VAL   1  12.655   2.282   1.268
    5   HG12  VAL   1          HG22      VAL   1  13.645   1.586  -0.020
    6   HG13  VAL   1          HG23      VAL   1  12.655   0.533   1.014
    7   HG21  VAL   1          HG11      VAL   1  10.706   3.293  -1.622
    8   HG22  VAL   1          HG12      VAL   1  12.457   3.045  -1.815
    9   HG23  VAL   1          HG13      VAL   1  11.809   3.792  -0.340
   10    H    ARG   2           H        ARG   2   9.301  -0.825  -1.908
   11    HA   ARG   2           HA       ARG   2   7.771   1.072  -3.419
   12    HB2  ARG   2           HB1      ARG   2   9.127   0.478  -5.312
   13    HB3  ARG   2           HB2      ARG   2   8.901  -1.243  -5.072
   14    HG2  ARG   2           HG1      ARG   2   7.620  -0.375  -6.989
   15    HG3  ARG   2           HG2      ARG   2   6.508  -1.032  -5.778
   16    HD2  ARG   2           HD1      ARG   2   5.732   1.131  -5.175
   17    HD3  ARG   2           HD2      ARG   2   7.236   1.929  -5.663
   18    HE   ARG   2           HE       ARG   2   6.317   0.932  -8.024
   19   HH11  ARG   2          HH12      ARG   2   4.880   3.132  -5.715
   20   HH12  ARG   2          HH11      ARG   2   4.089   4.053  -6.965
   21   HH21  ARG   2          HH22      ARG   2   5.273   2.087  -9.532
   22   HH22  ARG   2          HH21      ARG   2   4.307   3.465  -9.101
   23    H    ARG   3           H        ARG   3   7.811  -1.767  -1.476
   24    HA   ARG   3           HA       ARG   3   4.898  -2.014  -1.705
   25    HB2  ARG   3           HB1      ARG   3   4.907  -3.659  -3.226
   26    HB3  ARG   3           HB2      ARG   3   6.639  -3.784  -3.243
   27    HG2  ARG   3           HG1      ARG   3   5.896  -5.184  -0.865
   28    HG3  ARG   3           HG2      ARG   3   4.597  -5.490  -1.991
   29    HD2  ARG   3           HD1      ARG   3   7.555  -6.108  -2.308
   30    HD3  ARG   3           HD2      ARG   3   6.236  -7.244  -2.037
   31    HE   ARG   3           HE       ARG   3   7.073  -6.179  -4.587
   32   HH11  ARG   3          HH12      ARG   3   4.371  -7.472  -2.871
   33   HH12  ARG   3          HH11      ARG   3   3.424  -7.809  -4.291
   34   HH21  ARG   3          HH22      ARG   3   5.820  -6.585  -6.455
   35   HH22  ARG   3          HH21      ARG   3   4.256  -7.315  -6.288
   36    H    PHE   4           H        PHE   4   5.449  -0.981   0.150
   37    HA   PHE   4           HA       PHE   4   3.427  -1.977   0.728
   38    HB2  PHE   4           HB1      PHE   4   4.823  -3.643   2.793
   39    HB3  PHE   4           HB2      PHE   4   3.133  -3.226   2.817
   40    HD1  PHE   4           HD2      PHE   4   2.951  -3.362  -0.505
   41    HD2  PHE   4           HD1      PHE   4   3.961  -5.998   2.782
   42    HE1  PHE   4           HE2      PHE   4   1.898  -5.186  -1.679
   43    HE2  PHE   4           HE1      PHE   4   2.927  -7.875   1.536
   44    HZ   PHE   4           HZ       PHE   4   1.840  -7.465  -0.663
   45    H    ASP   5           H        ASP   5   4.282   0.545   0.803
   46    HA   ASP   5           HA       ASP   5   1.719   0.851   2.253
   47    HB2  ASP   5           HB1      ASP   5   2.258   3.244   2.328
   48    HB3  ASP   5           HB2      ASP   5   3.481   2.331   3.162
   49    H    LEU   6           H        LEU   6   2.368  -0.085  -0.675
   50    HA   LEU   6           HA       LEU   6   0.206   1.731  -1.675
   51    HB2  LEU   6           HB1      LEU   6   0.508   0.755  -3.875
   52    HB3  LEU   6           HB2      LEU   6   1.773   1.802  -3.236
   53    HG   LEU   6           HG       LEU   6   3.349   0.152  -3.040
   54   HD11  LEU   6          HD21      LEU   6   3.007  -2.266  -3.279
   55   HD12  LEU   6          HD22      LEU   6   1.996  -1.711  -1.963
   56   HD13  LEU   6          HD23      LEU   6   1.267  -2.030  -3.558
   57   HD21  LEU   6          HD11      LEU   6   2.711   0.795  -5.379
   58   HD22  LEU   6          HD12      LEU   6   3.368  -0.853  -5.316
   59   HD23  LEU   6          HD13      LEU   6   1.611  -0.598  -5.442
   60    H    LEU   7           H        LEU   7   0.542  -1.702  -0.690
   61    HA   LEU   7           HA       LEU   7  -2.162  -2.117  -1.539
   62    HB2  LEU   7           HB1      LEU   7  -1.998  -4.174  -1.073
   63    HB3  LEU   7           HB2      LEU   7  -0.278  -3.879  -1.006
   64    HG   LEU   7           HG       LEU   7  -2.135  -3.994   1.424
   65   HD11  LEU   7          HD21      LEU   7  -2.098  -6.075   0.138
   66   HD12  LEU   7          HD22      LEU   7  -0.322  -6.095   0.189
   67   HD13  LEU   7          HD23      LEU   7  -1.268  -6.277   1.691
   68   HD21  LEU   7          HD11      LEU   7  -0.362  -3.332   2.646
   69   HD22  LEU   7          HD12      LEU   7   0.601  -3.101   1.169
   70   HD23  LEU   7          HD13      LEU   7   0.604  -4.660   1.997
   71    H    LYS   8           H        LYS   8  -0.977  -0.907   1.639
   72    HA   LYS   8           HA       LYS   8  -3.807  -0.561   2.416
   73    HB2  LYS   8           HB1      LYS   8  -3.205   0.344   4.486
   74    HB3  LYS   8           HB2      LYS   8  -2.399  -1.172   4.231
   75    HG2  LYS   8           HG1      LYS   8  -0.944   1.457   3.664
   76    HG3  LYS   8           HG2      LYS   8  -1.164   0.906   5.319
   77    HD2  LYS   8           HD1      LYS   8   0.154  -0.796   3.162
   78    HD3  LYS   8           HD2      LYS   8   1.033   0.216   4.308
   79    HE2  LYS   8           HE1      LYS   8  -0.856  -2.057   5.076
   80    HE3  LYS   8           HE2      LYS   8   0.914  -2.171   5.035
   81    HZ1  LYS   8           HZ1      LYS   8   0.177  -1.654   7.274
   82    HZ2  LYS   8           HZ2      LYS   8   0.956  -0.339   6.675
   83    HZ3  LYS   8           HZ3      LYS   8  -0.674  -0.351   6.765
   84    H    ARG   9           H        ARG   9  -2.675   0.777   0.024
   85    HA   ARG   9           HA       ARG   9  -4.310   3.232   0.610
   86    HB2  ARG   9           HB1      ARG   9  -2.560   2.777  -1.832
   87    HB3  ARG   9           HB2      ARG   9  -3.524   4.206  -1.446
   88    HG2  ARG   9           HG1      ARG   9  -1.797   3.741   0.827
   89    HG3  ARG   9           HG2      ARG   9  -0.866   3.491  -0.646
   90    HD2  ARG   9           HD1      ARG   9  -2.490   5.958   0.001
   91    HD3  ARG   9           HD2      ARG   9  -0.743   5.815   0.228
   92    HE   ARG   9           HE       ARG   9  -2.151   6.343  -2.238
   93   HH11  ARG   9          HH12      ARG   9   0.777   4.687  -1.129
   94   HH12  ARG   9          HH11      ARG   9   1.577   4.921  -2.635
   95   HH21  ARG   9          HH22      ARG   9  -1.080   6.553  -4.140
   96   HH22  ARG   9          HH21      ARG   9   0.499   5.872  -4.348
   97    H    ILE  10           H        ILE  10  -3.917   0.361  -1.442
   98    HA   ILE  10           HA       ILE  10  -6.378   0.665  -2.921
   99    HB   ILE  10           HB       ILE  10  -4.834  -1.814  -2.074
  100   HG12  ILE  10          HG13      ILE  10  -4.885  -0.475  -4.811
  101   HG13  ILE  10          HG12      ILE  10  -3.651  -0.131  -3.602
  102   HG21  ILE  10          HG21      ILE  10  -6.092  -3.066  -3.773
  103   HG22  ILE  10          HG22      ILE  10  -7.049  -1.619  -4.160
  104   HG23  ILE  10          HG23      ILE  10  -7.190  -2.419  -2.584
  105   HD11  ILE  10          HD11      ILE  10  -2.762  -1.778  -5.099
  106   HD12  ILE  10          HD12      ILE  10  -3.042  -2.547  -3.525
  107   HD13  ILE  10          HD13      ILE  10  -4.164  -2.836  -4.873
  108    H    LEU  11           H        LEU  11  -5.579  -0.955   0.176
  109    HA   LEU  11           HA       LEU  11  -8.319  -1.676   0.660
  110    HB2  LEU  11           HB1      LEU  11  -7.441  -3.071   2.109
  111    HB3  LEU  11           HB2      LEU  11  -5.869  -2.508   1.626
  112    HG   LEU  11           HG       LEU  11  -6.366  -0.676   3.567
  113   HD11  LEU  11          HD21      LEU  11  -8.598  -1.749   4.238
  114   HD12  LEU  11          HD22      LEU  11  -7.404  -1.762   5.521
  115   HD13  LEU  11          HD23      LEU  11  -7.734  -3.233   4.574
  116   HD21  LEU  11          HD11      LEU  11  -5.423  -3.455   4.293
  117   HD22  LEU  11          HD12      LEU  11  -4.439  -2.285   3.398
  118   HD23  LEU  11          HD13      LEU  11  -5.001  -1.891   5.043
  119    H    LYS  12           H        LYS  12  -7.099   1.449   0.830
  120    HA   LYS  12           HA       LYS  12  -7.768   3.372   1.914
  121    HB2  LYS  12           HB1      LYS  12 -10.337   1.839   2.617
  122    HB3  LYS  12           HB2      LYS  12 -10.052   3.542   2.877
  123    HG2  LYS  12           HG1      LYS  12 -11.284   3.488   0.934
  124    HG3  LYS  12           HG2      LYS  12  -9.617   3.749   0.336
  125    HD2  LYS  12           HD1      LYS  12  -9.506   1.645  -0.608
  126    HD3  LYS  12           HD2      LYS  12 -10.562   0.881   0.579
  127    HE2  LYS  12           HE1      LYS  12 -11.606   0.834  -1.572
  128    HE3  LYS  12           HE2      LYS  12 -12.533   1.842  -0.440
  129    HZ1  LYS  12           HZ1      LYS  12 -12.246   2.867  -2.658
  130    HZ2  LYS  12           HZ2      LYS  12 -10.620   2.918  -2.438
  131    HZ3  LYS  12           HZ3      LYS  12 -11.608   3.796  -1.466
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1  12.284  -1.455  -1.617
    2    HA   VAL   1           HA       VAL   1  10.919   0.737  -0.554
    3    HB   VAL   1           HB       VAL   1  11.942   1.989  -2.594
    4   HG11  VAL   1          HG21      VAL   1  12.997   1.915  -0.404
    5   HG12  VAL   1          HG22      VAL   1  13.728   0.341  -0.772
    6   HG13  VAL   1          HG23      VAL   1  14.214   1.789  -1.682
    7   HG21  VAL   1          HG11      VAL   1  12.043  -0.028  -4.109
    8   HG22  VAL   1          HG12      VAL   1  13.328  -0.681  -3.072
    9   HG23  VAL   1          HG13      VAL   1  13.590   0.832  -3.940
   10    H    ARG   2           H        ARG   2   9.470  -1.501  -2.234
   11    HA   ARG   2           HA       ARG   2   7.307   0.336  -3.042
   12    HB2  ARG   2           HB1      ARG   2   8.927  -0.090  -5.023
   13    HB3  ARG   2           HB2      ARG   2   8.258  -1.714  -5.070
   14    HG2  ARG   2           HG1      ARG   2   7.222  -0.296  -6.745
   15    HG3  ARG   2           HG2      ARG   2   6.022  -0.774  -5.570
   16    HD2  ARG   2           HD1      ARG   2   5.552   1.458  -6.018
   17    HD3  ARG   2           HD2      ARG   2   6.366   1.537  -4.455
   18    HE   ARG   2           HE       ARG   2   8.470   1.973  -6.028
   19   HH11  ARG   2          HH12      ARG   2   5.366   3.558  -6.069
   20   HH12  ARG   2          HH11      ARG   2   5.929   4.868  -7.065
   21   HH21  ARG   2          HH22      ARG   2   9.117   3.660  -7.385
   22   HH22  ARG   2          HH21      ARG   2   7.989   4.912  -7.789
   23    H    ARG   3           H        ARG   3   7.857  -2.022  -1.107
   24    HA   ARG   3           HA       ARG   3   5.060  -2.036  -0.837
   25    HB2  ARG   3           HB1      ARG   3   4.726  -4.501  -0.416
   26    HB3  ARG   3           HB2      ARG   3   4.570  -3.845  -2.030
   27    HG2  ARG   3           HG1      ARG   3   6.773  -5.633  -0.917
   28    HG3  ARG   3           HG2      ARG   3   5.322  -6.107  -1.826
   29    HD2  ARG   3           HD1      ARG   3   6.455  -4.323  -3.567
   30    HD3  ARG   3           HD2      ARG   3   7.890  -5.081  -2.824
   31    HE   ARG   3           HE       ARG   3   6.233  -6.153  -4.848
   32   HH11  ARG   3          HH11      ARG   3   7.568  -7.516  -1.909
   33   HH12  ARG   3          HH12      ARG   3   7.250  -9.148  -2.430
   34   HH21  ARG   3          HH21      ARG   3   5.963  -8.249  -5.482
   35   HH22  ARG   3          HH22      ARG   3   6.361  -9.537  -4.389
   36    H    PHE   4           H        PHE   4   6.064  -0.766   1.319
   37    HA   PHE   4           HA       PHE   4   3.669  -1.421   0.956
   38    HB2  PHE   4           HB1      PHE   4   4.482  -3.277   3.128
   39    HB3  PHE   4           HB2      PHE   4   2.837  -2.675   3.156
   40    HD1  PHE   4           HD1      PHE   4   2.479  -2.590   0.009
   41    HD2  PHE   4           HD2      PHE   4   3.643  -5.528   2.925
   42    HE1  PHE   4           HE1      PHE   4   1.564  -4.341  -1.438
   43    HE2  PHE   4           HE2      PHE   4   2.645  -7.294   1.496
   44    HZ   PHE   4           HZ       PHE   4   1.666  -6.716  -0.717
   45    H    ASP   5           H        ASP   5   4.312   1.386   1.700
   46    HA   ASP   5           HA       ASP   5   1.506   1.168   2.412
   47    HB2  ASP   5           HB1      ASP   5   1.538   3.619   2.517
   48    HB3  ASP   5           HB2      ASP   5   2.584   2.790   3.644
   49    H    LEU   6           H        LEU   6   2.345   0.159  -0.157
   50    HA   LEU   6           HA       LEU   6   0.171   1.643  -1.662
   51    HB2  LEU   6           HB1      LEU   6   1.004   1.057  -3.713
   52    HB3  LEU   6           HB2      LEU   6   2.189   1.964  -2.802
   53    HG   LEU   6           HG       LEU   6   3.742   0.287  -2.800
   54   HD11  LEU   6          HD21      LEU   6   3.288  -2.116  -3.185
   55   HD12  LEU   6          HD22      LEU   6   2.536  -1.488  -1.717
   56   HD13  LEU   6          HD23      LEU   6   1.546  -1.800  -3.168
   57   HD21  LEU   6          HD11      LEU   6   3.191   0.961  -5.119
   58   HD22  LEU   6          HD12      LEU   6   2.043  -0.398  -5.231
   59   HD23  LEU   6          HD13      LEU   6   3.780  -0.711  -5.039
   60    H    LEU   7           H        LEU   7   0.055  -0.772   0.304
   61    HA   LEU   7           HA       LEU   7  -2.277  -1.721  -1.302
   62    HB2  LEU   7           HB1      LEU   7  -2.236  -3.866  -0.732
   63    HB3  LEU   7           HB2      LEU   7  -0.515  -3.566  -0.871
   64    HG   LEU   7           HG       LEU   7  -2.172  -3.753   1.717
   65   HD11  LEU   7          HD21      LEU   7  -1.989  -5.918   1.195
   66   HD12  LEU   7          HD22      LEU   7  -0.579  -5.707   0.160
   67   HD13  LEU   7          HD23      LEU   7  -0.379  -5.762   1.918
   68   HD21  LEU   7          HD11      LEU   7  -0.524  -2.363   2.502
   69   HD22  LEU   7          HD12      LEU   7   0.543  -2.700   1.219
   70   HD23  LEU   7          HD13      LEU   7   0.418  -3.852   2.564
   71    H    LYS   8           H        LYS   8  -1.248  -0.391   1.790
   72    HA   LYS   8           HA       LYS   8  -3.951  -0.701   2.920
   73    HB2  LYS   8           HB1      LYS   8  -1.890   1.340   3.740
   74    HB3  LYS   8           HB2      LYS   8  -3.308   0.818   4.622
   75    HG2  LYS   8           HG1      LYS   8  -0.614  -0.382   4.398
   76    HG3  LYS   8           HG2      LYS   8  -1.635  -0.261   5.806
   77    HD2  LYS   8           HD1      LYS   8  -2.378  -2.309   3.725
   78    HD3  LYS   8           HD2      LYS   8  -0.871  -2.526   4.617
   79    HE2  LYS   8           HE1      LYS   8  -1.987  -2.731   6.702
   80    HE3  LYS   8           HE2      LYS   8  -3.557  -2.363   5.968
   81    HZ1  LYS   8           HZ1      LYS   8  -3.203  -4.770   6.173
   82    HZ2  LYS   8           HZ2      LYS   8  -1.844  -4.693   5.260
   83    HZ3  LYS   8           HZ3      LYS   8  -3.305  -4.356   4.591
   84    H    ARG   9           H        ARG   9  -2.255   1.835   1.108
   85    HA   ARG   9           HA       ARG   9  -4.322   3.336   0.096
   86    HB2  ARG   9           HB1      ARG   9  -1.623   2.784  -0.522
   87    HB3  ARG   9           HB2      ARG   9  -2.439   2.410  -2.013
   88    HG2  ARG   9           HG1      ARG   9  -3.346   5.000  -0.866
   89    HG3  ARG   9           HG2      ARG   9  -1.600   4.914  -1.042
   90    HD2  ARG   9           HD1      ARG   9  -2.399   5.866  -3.042
   91    HD3  ARG   9           HD2      ARG   9  -1.899   4.214  -3.439
   92    HE   ARG   9           HE       ARG   9  -4.759   4.699  -2.780
   93   HH11  ARG   9          HH11      ARG   9  -2.486   3.946  -5.332
   94   HH12  ARG   9          HH12      ARG   9  -3.749   3.609  -6.483
   95   HH21  ARG   9          HH21      ARG   9  -6.296   4.336  -4.297
   96   HH22  ARG   9          HH22      ARG   9  -5.860   3.885  -5.922
   97    H    ILE  10           H        ILE  10  -4.006  -0.093  -0.738
   98    HA   ILE  10           HA       ILE  10  -6.007   0.213  -2.943
   99    HB   ILE  10           HB       ILE  10  -4.356  -2.205  -2.143
  100   HG12  ILE  10          HG13      ILE  10  -4.290  -0.613  -4.754
  101   HG13  ILE  10          HG12      ILE  10  -3.199  -0.286  -3.418
  102   HG21  ILE  10          HG21      ILE  10  -5.298  -3.295  -4.159
  103   HG22  ILE  10          HG22      ILE  10  -6.572  -2.932  -3.006
  104   HG23  ILE  10          HG23      ILE  10  -6.360  -1.903  -4.438
  105   HD11  ILE  10          HD11      ILE  10  -3.304  -2.824  -5.096
  106   HD12  ILE  10          HD12      ILE  10  -2.391  -2.701  -3.574
  107   HD13  ILE  10          HD13      ILE  10  -1.995  -1.650  -4.945
  108    H    LEU  11           H        LEU  11  -5.606  -1.230   0.300
  109    HA   LEU  11           HA       LEU  11  -8.248  -2.438   0.244
  110    HB2  LEU  11           HB1      LEU  11  -7.477  -3.768   1.807
  111    HB3  LEU  11           HB2      LEU  11  -5.918  -3.107   1.437
  112    HG   LEU  11           HG       LEU  11  -6.823  -1.355   3.446
  113   HD11  LEU  11          HD21      LEU  11  -8.777  -2.913   3.898
  114   HD12  LEU  11          HD22      LEU  11  -7.638  -4.223   4.200
  115   HD13  LEU  11          HD23      LEU  11  -7.664  -2.791   5.262
  116   HD21  LEU  11          HD11      LEU  11  -5.393  -3.889   4.213
  117   HD22  LEU  11          HD12      LEU  11  -4.592  -2.692   3.170
  118   HD23  LEU  11          HD13      LEU  11  -5.204  -2.204   4.774
  119    H    LYS  12           H        LYS  12  -7.583   0.693   0.574
  120    HA   LYS  12           HA       LYS  12  -8.640   2.540   1.431
  121    HB2  LYS  12           HB1      LYS  12 -10.860   1.047   2.759
  122    HB3  LYS  12           HB2      LYS  12 -10.887   2.621   2.017
  123    HG2  LYS  12           HG1      LYS  12 -10.965  -0.043   0.501
  124    HG3  LYS  12           HG2      LYS  12 -12.350   0.899   1.028
  125    HD2  LYS  12           HD1      LYS  12 -11.279   2.817  -0.464
  126    HD3  LYS  12           HD2      LYS  12 -10.455   1.429  -1.244
  127    HE2  LYS  12           HE1      LYS  12 -12.739   0.304  -1.431
  128    HE3  LYS  12           HE2      LYS  12 -13.468   1.772  -0.778
  129    HZ1  LYS  12           HZ1      LYS  12 -13.635   1.790  -3.147
  130    HZ2  LYS  12           HZ2      LYS  12 -12.027   1.541  -3.356
  131    HZ3  LYS  12           HZ3      LYS  12 -12.575   2.969  -2.730
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1  10.663  -2.205  -7.613
    2    HA   VAL   1           HA       VAL   1  11.308  -0.557  -5.270
    3    HB   VAL   1           HB       VAL   1   9.872   1.338  -6.716
    4   HG11  VAL   1          HG21      VAL   1  11.697   1.759  -5.169
    5   HG12  VAL   1          HG22      VAL   1  11.946   2.622  -6.692
    6   HG13  VAL   1          HG23      VAL   1  12.866   1.142  -6.361
    7   HG21  VAL   1          HG11      VAL   1  11.077   1.839  -8.765
    8   HG22  VAL   1          HG12      VAL   1  11.968   0.314  -8.657
    9   HG23  VAL   1          HG13      VAL   1  10.204   0.307  -8.912
   10    H    ARG   2           H        ARG   2   9.433   0.545  -4.439
   11    HA   ARG   2           HA       ARG   2   7.288   0.822  -3.755
   12    HB2  ARG   2           HB1      ARG   2   7.592   1.392  -6.434
   13    HB3  ARG   2           HB2      ARG   2   6.209   0.341  -6.501
   14    HG2  ARG   2           HG1      ARG   2   6.563   3.019  -5.140
   15    HG3  ARG   2           HG2      ARG   2   5.414   2.587  -6.396
   16    HD2  ARG   2           HD1      ARG   2   3.884   1.692  -4.915
   17    HD3  ARG   2           HD2      ARG   2   5.083   1.247  -3.709
   18    HE   ARG   2           HE       ARG   2   3.606   3.648  -3.694
   19   HH11  ARG   2          HH12      ARG   2   6.933   2.879  -3.066
   20   HH12  ARG   2          HH11      ARG   2   6.829   3.588  -1.477
   21   HH21  ARG   2          HH22      ARG   2   3.711   4.687  -1.646
   22   HH22  ARG   2          HH21      ARG   2   4.908   4.190  -0.615
   23    H    ARG   3           H        ARG   3   7.900  -2.001  -3.268
   24    HA   ARG   3           HA       ARG   3   5.034  -1.960  -2.466
   25    HB2  ARG   3           HB1      ARG   3   4.404  -3.881  -3.143
   26    HB3  ARG   3           HB2      ARG   3   5.764  -3.882  -4.183
   27    HG2  ARG   3           HG1      ARG   3   6.034  -5.274  -1.501
   28    HG3  ARG   3           HG2      ARG   3   5.025  -5.965  -2.743
   29    HD2  ARG   3           HD1      ARG   3   7.857  -5.148  -3.401
   30    HD3  ARG   3           HD2      ARG   3   7.522  -6.691  -2.620
   31    HE   ARG   3           HE       ARG   3   6.995  -5.960  -5.400
   32   HH11  ARG   3          HH12      ARG   3   6.261  -8.368  -2.957
   33   HH12  ARG   3          HH11      ARG   3   5.574  -9.464  -4.119
   34   HH21  ARG   3          HH22      ARG   3   6.069  -7.428  -6.824
   35   HH22  ARG   3          HH21      ARG   3   5.448  -8.929  -6.224
   36    H    PHE   4           H        PHE   4   5.800  -0.559  -0.720
   37    HA   PHE   4           HA       PHE   4   3.863  -1.808   0.053
   38    HB2  PHE   4           HB1      PHE   4   5.880  -3.198   1.651
   39    HB3  PHE   4           HB2      PHE   4   4.442  -2.865   2.505
   40    HD1  PHE   4           HD1      PHE   4   3.590  -3.440  -1.081
   41    HD2  PHE   4           HD2      PHE   4   4.513  -5.298   2.704
   42    HE1  PHE   4           HE1      PHE   4   2.447  -5.495  -1.810
   43    HE2  PHE   4           HE2      PHE   4   3.282  -7.317   1.994
   44    HZ   PHE   4           HZ       PHE   4   2.274  -7.440  -0.275
   45    H    ASP   5           H        ASP   5   4.739   1.189   0.633
   46    HA   ASP   5           HA       ASP   5   2.007   1.119   1.726
   47    HB2  ASP   5           HB1      ASP   5   2.125   3.566   1.778
   48    HB3  ASP   5           HB2      ASP   5   3.136   2.699   2.889
   49    H    LEU   6           H        LEU   6   1.849  -0.223  -0.410
   50    HA   LEU   6           HA       LEU   6   0.035   1.572  -1.908
   51    HB2  LEU   6           HB1      LEU   6   0.510   0.823  -4.030
   52    HB3  LEU   6           HB2      LEU   6   1.972   1.448  -3.302
   53    HG   LEU   6           HG       LEU   6   3.104  -0.481  -3.494
   54   HD11  LEU   6          HD21      LEU   6   2.148  -2.776  -3.731
   55   HD12  LEU   6          HD22      LEU   6   0.573  -2.135  -3.289
   56   HD13  LEU   6          HD23      LEU   6   1.949  -2.054  -2.132
   57   HD21  LEU   6          HD11      LEU   6   2.283   0.219  -5.745
   58   HD22  LEU   6          HD12      LEU   6   0.905  -0.893  -5.566
   59   HD23  LEU   6          HD13      LEU   6   2.559  -1.520  -5.679
   60    H    LEU   7           H        LEU   7   0.241  -1.175  -0.164
   61    HA   LEU   7           HA       LEU   7  -2.555  -1.836  -0.955
   62    HB2  LEU   7           HB1      LEU   7  -2.354  -3.996   0.021
   63    HB3  LEU   7           HB2      LEU   7  -1.352  -3.756  -1.378
   64    HG   LEU   7           HG       LEU   7   0.390  -4.581  -0.383
   65   HD11  LEU   7          HD21      LEU   7   0.169  -2.906   2.151
   66   HD12  LEU   7          HD22      LEU   7   1.094  -2.410   0.695
   67   HD13  LEU   7          HD23      LEU   7   1.538  -3.847   1.574
   68   HD21  LEU   7          HD11      LEU   7  -1.223  -4.820   2.183
   69   HD22  LEU   7          HD12      LEU   7  -1.347  -5.931   0.804
   70   HD23  LEU   7          HD13      LEU   7   0.173  -5.809   1.695
   71    H    LYS   8           H        LYS   8  -0.428  -0.803   1.630
   72    HA   LYS   8           HA       LYS   8  -2.613   0.002   3.333
   73    HB2  LYS   8           HB1      LYS   8   0.073   1.343   2.940
   74    HB3  LYS   8           HB2      LYS   8  -1.086   1.668   4.208
   75    HG2  LYS   8           HG1      LYS   8   0.793  -0.649   3.899
   76    HG3  LYS   8           HG2      LYS   8   0.430   0.330   5.310
   77    HD2  LYS   8           HD1      LYS   8  -1.791  -0.922   5.513
   78    HD3  LYS   8           HD2      LYS   8  -1.240  -1.940   4.176
   79    HE2  LYS   8           HE1      LYS   8  -0.665  -3.260   5.948
   80    HE3  LYS   8           HE2      LYS   8   0.857  -2.452   5.595
   81    HZ1  LYS   8           HZ1      LYS   8   0.323  -2.512   7.981
   82    HZ2  LYS   8           HZ2      LYS   8  -1.038  -1.639   7.741
   83    HZ3  LYS   8           HZ3      LYS   8   0.436  -0.964   7.462
   84    H    ARG   9           H        ARG   9  -2.039   0.754   0.103
   85    HA   ARG   9           HA       ARG   9  -3.971   3.022   0.063
   86    HB2  ARG   9           HB1      ARG   9  -1.935   3.308  -1.224
   87    HB3  ARG   9           HB2      ARG   9  -2.197   1.799  -2.033
   88    HG2  ARG   9           HG1      ARG   9  -3.269   2.625  -3.705
   89    HG3  ARG   9           HG2      ARG   9  -4.426   3.510  -2.710
   90    HD2  ARG   9           HD1      ARG   9  -3.076   5.441  -2.634
   91    HD3  ARG   9           HD2      ARG   9  -1.599   4.571  -3.021
   92    HE   ARG   9           HE       ARG   9  -3.697   5.468  -4.928
   93   HH11  ARG   9          HH12      ARG   9  -0.454   4.259  -4.506
   94   HH12  ARG   9          HH11      ARG   9  -0.070   4.425  -6.202
   95   HH21  ARG   9          HH22      ARG   9  -3.153   5.559  -7.126
   96   HH22  ARG   9          HH21      ARG   9  -1.554   5.122  -7.618
   97    H    ILE  10           H        ILE  10  -3.958  -0.480  -0.994
   98    HA   ILE  10           HA       ILE  10  -6.505  -0.100  -2.343
   99    HB   ILE  10           HB       ILE  10  -6.660  -2.391  -2.760
  100   HG12  ILE  10          HG13      ILE  10  -4.590  -2.876  -0.617
  101   HG13  ILE  10          HG12      ILE  10  -6.207  -3.553  -0.790
  102   HG21  ILE  10          HG21      ILE  10  -5.057  -1.020  -4.057
  103   HG22  ILE  10          HG22      ILE  10  -3.727  -1.657  -3.062
  104   HG23  ILE  10          HG23      ILE  10  -4.700  -2.738  -4.075
  105   HD11  ILE  10          HD11      ILE  10  -4.630  -5.285  -1.311
  106   HD12  ILE  10          HD12      ILE  10  -3.751  -4.254  -2.445
  107   HD13  ILE  10          HD13      ILE  10  -5.396  -4.809  -2.836
  108    H    LEU  11           H        LEU  11  -5.762  -0.868   1.049
  109    HA   LEU  11           HA       LEU  11  -8.585  -1.317   1.621
  110    HB2  LEU  11           HB1      LEU  11  -8.126  -1.487   3.756
  111    HB3  LEU  11           HB2      LEU  11  -6.551  -1.908   3.140
  112    HG   LEU  11           HG       LEU  11  -6.839   1.018   3.785
  113   HD11  LEU  11          HD21      LEU  11  -8.338   0.080   5.511
  114   HD12  LEU  11          HD22      LEU  11  -7.027  -0.998   6.045
  115   HD13  LEU  11          HD23      LEU  11  -6.863   0.774   6.179
  116   HD21  LEU  11          HD11      LEU  11  -4.910  -1.105   4.728
  117   HD22  LEU  11          HD12      LEU  11  -4.742  -0.105   3.260
  118   HD23  LEU  11          HD13      LEU  11  -4.733   0.666   4.861
  119    H    LYS  12           H        LYS  12  -6.665   1.508   1.151
  120    HA   LYS  12           HA       LYS  12  -6.944   3.716   1.064
  121    HB2  LYS  12           HB1      LYS  12  -9.963   3.353   1.025
  122    HB3  LYS  12           HB2      LYS  12  -9.087   4.859   0.956
  123    HG2  LYS  12           HG1      LYS  12  -9.649   4.548  -1.216
  124    HG3  LYS  12           HG2      LYS  12  -7.954   4.124  -1.149
  125    HD2  LYS  12           HD1      LYS  12  -9.167   2.706  -2.662
  126    HD3  LYS  12           HD2      LYS  12  -8.537   1.726  -1.355
  127    HE2  LYS  12           HE1      LYS  12 -11.381   2.779  -1.246
  128    HE3  LYS  12           HE2      LYS  12 -11.007   1.434  -2.321
  129    HZ1  LYS  12           HZ1      LYS  12 -11.754   0.730  -0.081
  130    HZ2  LYS  12           HZ2      LYS  12 -10.268   0.146  -0.458
  131    HZ3  LYS  12           HZ3      LYS  12 -10.423   1.387   0.594
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1  10.668  -2.910  -6.282
    2    HA   VAL   1           HA       VAL   1  10.757  -3.630  -4.039
    3    HB   VAL   1           HB       VAL   1  12.614  -1.246  -3.738
    4   HG11  VAL   1          HG21      VAL   1  11.191  -0.844  -1.787
    5   HG12  VAL   1          HG22      VAL   1  12.692  -1.597  -1.250
    6   HG13  VAL   1          HG23      VAL   1  11.221  -2.576  -1.357
    7   HG21  VAL   1          HG11      VAL   1  13.470  -3.571  -4.195
    8   HG22  VAL   1          HG12      VAL   1  14.046  -2.918  -2.657
    9   HG23  VAL   1          HG13      VAL   1  12.745  -4.113  -2.663
   10    H    ARG   2           H        ARG   2   9.600  -0.882  -5.563
   11    HA   ARG   2           HA       ARG   2   8.210   0.688  -3.843
   12    HB2  ARG   2           HB1      ARG   2   7.885  -0.003  -6.746
   13    HB3  ARG   2           HB2      ARG   2   6.552   0.865  -5.997
   14    HG2  ARG   2           HG1      ARG   2   9.392   1.822  -5.590
   15    HG3  ARG   2           HG2      ARG   2   8.469   2.279  -7.030
   16    HD2  ARG   2           HD1      ARG   2   6.918   3.555  -5.844
   17    HD3  ARG   2           HD2      ARG   2   7.064   2.585  -4.390
   18    HE   ARG   2           HE       ARG   2   8.769   3.870  -3.593
   19   HH11  ARG   2          HH12      ARG   2   8.117   5.004  -6.842
   20   HH12  ARG   2          HH11      ARG   2   9.189   6.366  -6.672
   21   HH21  ARG   2          HH22      ARG   2  10.134   5.584  -3.457
   22   HH22  ARG   2          HH21      ARG   2  10.322   6.665  -4.800
   23    H    ARG   3           H        ARG   3   7.481  -0.448  -2.166
   24    HA   ARG   3           HA       ARG   3   4.686  -1.135  -2.011
   25    HB2  ARG   3           HB1      ARG   3   5.513  -3.103  -3.111
   26    HB3  ARG   3           HB2      ARG   3   6.856  -3.259  -2.035
   27    HG2  ARG   3           HG1      ARG   3   4.247  -3.612  -0.689
   28    HG3  ARG   3           HG2      ARG   3   4.435  -4.657  -2.077
   29    HD2  ARG   3           HD1      ARG   3   6.220  -4.627   0.374
   30    HD3  ARG   3           HD2      ARG   3   5.098  -5.887  -0.148
   31    HE   ARG   3           HE       ARG   3   6.558  -6.517  -1.925
   32   HH11  ARG   3          HH12      ARG   3   8.228  -4.582   0.428
   33   HH12  ARG   3          HH11      ARG   3   9.562  -4.228  -0.634
   34   HH21  ARG   3          HH22      ARG   3   8.404  -6.131  -3.232
   35   HH22  ARG   3          HH21      ARG   3   9.640  -5.076  -2.616
   36    H    PHE   4           H        PHE   4   5.685  -2.719   0.471
   37    HA   PHE   4           HA       PHE   4   3.822  -1.413   1.255
   38    HB2  PHE   4           HB1      PHE   4   5.713  -2.975   2.907
   39    HB3  PHE   4           HB2      PHE   4   4.318  -2.363   3.717
   40    HD1  PHE   4           HD1      PHE   4   2.373  -2.675   1.155
   41    HD2  PHE   4           HD2      PHE   4   5.042  -5.313   3.289
   42    HE1  PHE   4           HE1      PHE   4   1.185  -4.598   0.245
   43    HE2  PHE   4           HE2      PHE   4   3.730  -7.246   2.437
   44    HZ   PHE   4           HZ       PHE   4   1.838  -6.895   0.870
   45    H    ASP   5           H        ASP   5   4.536   1.511   1.228
   46    HA   ASP   5           HA       ASP   5   2.338   1.205   2.957
   47    HB2  ASP   5           HB1      ASP   5   1.911   3.602   2.373
   48    HB3  ASP   5           HB2      ASP   5   3.446   3.122   3.146
   49    H    LEU   6           H        LEU   6   2.451   0.005  -0.042
   50    HA   LEU   6           HA       LEU   6  -0.133   1.033  -0.857
   51    HB2  LEU   6           HB1      LEU   6   0.520   0.691  -2.924
   52    HB3  LEU   6           HB2      LEU   6   2.063   0.690  -2.126
   53    HG   LEU   6           HG       LEU   6   2.384  -0.865  -3.660
   54   HD11  LEU   6          HD21      LEU   6   1.257  -2.948  -1.807
   55   HD12  LEU   6          HD22      LEU   6   2.746  -2.919  -2.754
   56   HD13  LEU   6          HD23      LEU   6   2.630  -1.913  -1.283
   57   HD21  LEU   6          HD11      LEU   6   0.859  -2.568  -4.509
   58   HD22  LEU   6          HD12      LEU   6  -0.419  -1.985  -3.400
   59   HD23  LEU   6          HD13      LEU   6   0.223  -0.925  -4.695
   60    H    LEU   7           H        LEU   7   0.186  -1.788   0.976
   61    HA   LEU   7           HA       LEU   7  -2.504  -2.641   0.067
   62    HB2  LEU   7           HB1      LEU   7  -2.641  -4.190   1.651
   63    HB3  LEU   7           HB2      LEU   7  -0.969  -4.265   1.123
   64    HG   LEU   7           HG       LEU   7  -2.137  -3.385   3.796
   65   HD11  LEU   7          HD21      LEU   7  -0.832  -5.231   4.603
   66   HD12  LEU   7          HD22      LEU   7  -1.515  -5.810   3.063
   67   HD13  LEU   7          HD23      LEU   7   0.172  -5.245   3.128
   68   HD21  LEU   7          HD11      LEU   7  -0.433  -1.677   3.436
   69   HD22  LEU   7          HD12      LEU   7   0.693  -2.867   2.760
   70   HD23  LEU   7          HD13      LEU   7   0.281  -2.925   4.483
   71    H    LYS   8           H        LYS   8  -1.222   0.050   1.836
   72    HA   LYS   8           HA       LYS   8  -3.926   0.634   2.909
   73    HB2  LYS   8           HB1      LYS   8  -1.523   2.421   3.090
   74    HB3  LYS   8           HB2      LYS   8  -3.021   2.541   3.952
   75    HG2  LYS   8           HG1      LYS   8  -0.607   0.916   4.462
   76    HG3  LYS   8           HG2      LYS   8  -1.619   1.749   5.603
   77    HD2  LYS   8           HD1      LYS   8  -2.519  -0.918   4.442
   78    HD3  LYS   8           HD2      LYS   8  -1.228  -0.838   5.635
   79    HE2  LYS   8           HE1      LYS   8  -2.668   0.074   7.319
   80    HE3  LYS   8           HE2      LYS   8  -4.006   0.222   6.182
   81    HZ1  LYS   8           HZ1      LYS   8  -2.745  -2.376   6.927
   82    HZ2  LYS   8           HZ2      LYS   8  -4.125  -1.780   7.594
   83    HZ3  LYS   8           HZ3      LYS   8  -4.090  -2.178   6.003
   84    H    ARG   9           H        ARG   9  -2.003   1.402   0.018
   85    HA   ARG   9           HA       ARG   9  -4.260   2.843  -1.153
   86    HB2  ARG   9           HB1      ARG   9  -1.988   1.349  -2.478
   87    HB3  ARG   9           HB2      ARG   9  -3.450   1.699  -3.369
   88    HG2  ARG   9           HG1      ARG   9  -3.162   4.171  -2.735
   89    HG3  ARG   9           HG2      ARG   9  -1.545   3.741  -2.176
   90    HD2  ARG   9           HD1      ARG   9  -1.379   4.550  -4.454
   91    HD3  ARG   9           HD2      ARG   9  -1.039   2.807  -4.452
   92    HE   ARG   9           HE       ARG   9  -3.722   3.969  -5.196
   93   HH11  ARG   9          HH11      ARG   9  -1.050   2.251  -6.500
   94   HH12  ARG   9          HH12      ARG   9  -2.038   1.160  -7.439
   95   HH21  ARG   9          HH21      ARG   9  -5.011   2.427  -6.318
   96   HH22  ARG   9          HH22      ARG   9  -4.202   1.277  -7.335
   97    H    ILE  10           H        ILE  10  -3.694  -0.760  -1.334
   98    HA   ILE  10           HA       ILE  10  -6.117  -1.248  -2.680
   99    HB   ILE  10           HB       ILE  10  -4.759  -3.113  -0.703
  100   HG12  ILE  10          HG12      ILE  10  -4.616  -3.245  -3.754
  101   HG13  ILE  10          HG13      ILE  10  -3.469  -2.288  -2.826
  102   HG21  ILE  10          HG21      ILE  10  -5.960  -4.944  -1.845
  103   HG22  ILE  10          HG22      ILE  10  -7.135  -3.819  -1.182
  104   HG23  ILE  10          HG23      ILE  10  -6.774  -3.787  -2.919
  105   HD11  ILE  10          HD11      ILE  10  -2.401  -4.362  -3.201
  106   HD12  ILE  10          HD12      ILE  10  -2.908  -4.399  -1.500
  107   HD13  ILE  10          HD13      ILE  10  -3.832  -5.295  -2.731
  108    H    LEU  11           H        LEU  11  -5.801  -0.988   0.919
  109    HA   LEU  11           HA       LEU  11  -8.599  -1.646   1.288
  110    HB2  LEU  11           HB1      LEU  11  -8.013  -2.115   3.338
  111    HB3  LEU  11           HB2      LEU  11  -6.364  -1.818   2.840
  112    HG   LEU  11           HG       LEU  11  -7.198   0.686   3.657
  113   HD11  LEU  11          HD21      LEU  11  -9.284  -0.123   4.659
  114   HD12  LEU  11          HD22      LEU  11  -8.156   0.451   5.887
  115   HD13  LEU  11          HD23      LEU  11  -8.352  -1.310   5.617
  116   HD21  LEU  11          HD11      LEU  11  -5.832   0.478   5.504
  117   HD22  LEU  11          HD12      LEU  11  -5.082  -0.450   4.186
  118   HD23  LEU  11          HD13      LEU  11  -5.952  -1.319   5.489
  119    H    LYS  12           H        LYS  12  -7.572   1.129  -0.067
  120    HA   LYS  12           HA       LYS  12  -8.019   3.342   0.020
  121    HB2  LYS  12           HB1      LYS  12 -10.570   2.918   1.605
  122    HB3  LYS  12           HB2      LYS  12 -10.131   4.266   0.601
  123    HG2  LYS  12           HG1      LYS  12 -12.023   3.023  -0.263
  124    HG3  LYS  12           HG2      LYS  12 -10.712   3.053  -1.442
  125    HD2  LYS  12           HD1      LYS  12 -10.143   0.746  -0.908
  126    HD3  LYS  12           HD2      LYS  12 -11.326   0.721   0.429
  127    HE2  LYS  12           HE1      LYS  12 -13.163   0.765  -1.168
  128    HE3  LYS  12           HE2      LYS  12 -12.028   0.995  -2.514
  129    HZ1  LYS  12           HZ1      LYS  12 -12.563  -1.342  -2.336
  130    HZ2  LYS  12           HZ2      LYS  12 -10.996  -1.147  -1.859
  131    HZ3  LYS  12           HZ3      LYS  12 -12.167  -1.381  -0.739
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1  11.668  -1.167  -0.767
    2    HA   VAL   1           HA       VAL   1   9.272  -0.487   0.474
    3    HB   VAL   1           HB       VAL   1  10.242   1.764   0.808
    4   HG11  VAL   1          HG21      VAL   1  10.813  -0.131   2.263
    5   HG12  VAL   1          HG22      VAL   1  12.164   1.000   2.119
    6   HG13  VAL   1          HG23      VAL   1  12.198  -0.533   1.229
    7   HG21  VAL   1          HG11      VAL   1  11.383   2.084  -1.371
    8   HG22  VAL   1          HG12      VAL   1  12.492   2.300  -0.009
    9   HG23  VAL   1          HG13      VAL   1  12.537   0.802  -0.947
   10    H    ARG   2           H        ARG   2   9.431  -0.788  -2.678
   11    HA   ARG   2           HA       ARG   2   7.015   0.962  -2.825
   12    HB2  ARG   2           HB1      ARG   2   9.024   1.261  -4.566
   13    HB3  ARG   2           HB2      ARG   2   8.161  -0.016  -5.415
   14    HG2  ARG   2           HG1      ARG   2   7.583   2.293  -6.143
   15    HG3  ARG   2           HG2      ARG   2   6.170   1.395  -5.584
   16    HD2  ARG   2           HD1      ARG   2   5.794   2.805  -3.810
   17    HD3  ARG   2           HD2      ARG   2   7.507   2.973  -3.453
   18    HE   ARG   2           HE       ARG   2   7.592   4.926  -4.533
   19   HH11  ARG   2          HH12      ARG   2   4.812   3.352  -5.942
   20   HH12  ARG   2          HH11      ARG   2   4.266   4.814  -6.722
   21   HH21  ARG   2          HH22      ARG   2   6.806   6.762  -5.474
   22   HH22  ARG   2          HH21      ARG   2   5.363   6.704  -6.435
   23    H    ARG   3           H        ARG   3   7.677  -2.035  -2.022
   24    HA   ARG   3           HA       ARG   3   4.853  -1.911  -1.847
   25    HB2  ARG   3           HB1      ARG   3   3.967  -3.665  -2.718
   26    HB3  ARG   3           HB2      ARG   3   5.206  -3.435  -3.885
   27    HG2  ARG   3           HG1      ARG   3   5.233  -5.694  -1.800
   28    HG3  ARG   3           HG2      ARG   3   4.318  -5.691  -3.274
   29    HD2  ARG   3           HD1      ARG   3   6.650  -5.231  -4.430
   30    HD3  ARG   3           HD2      ARG   3   7.263  -6.019  -2.969
   31    HE   ARG   3           HE       ARG   3   5.481  -7.153  -5.085
   32   HH11  ARG   3          HH12      ARG   3   7.323  -7.908  -2.207
   33   HH12  ARG   3          HH11      ARG   3   7.074  -9.620  -2.400
   34   HH21  ARG   3          HH22      ARG   3   5.082  -9.337  -5.182
   35   HH22  ARG   3          HH21      ARG   3   5.817 -10.391  -4.023
   36    H    PHE   4           H        PHE   4   5.625  -1.209   0.345
   37    HA   PHE   4           HA       PHE   4   3.345  -2.327   0.481
   38    HB2  PHE   4           HB1      PHE   4   4.924  -4.042   2.318
   39    HB3  PHE   4           HB2      PHE   4   3.325  -3.689   2.816
   40    HD1  PHE   4           HD1      PHE   4   3.080  -3.879  -0.780
   41    HD2  PHE   4           HD2      PHE   4   3.428  -6.214   2.831
   42    HE1  PHE   4           HE1      PHE   4   2.175  -5.838  -1.957
   43    HE2  PHE   4           HE2      PHE   4   2.392  -8.139   1.661
   44    HZ   PHE   4           HZ       PHE   4   1.783  -7.963  -0.741
   45    H    ASP   5           H        ASP   5   4.179   0.497   1.182
   46    HA   ASP   5           HA       ASP   5   1.469   0.321   2.524
   47    HB2  ASP   5           HB1      ASP   5   1.656   2.522   3.265
   48    HB3  ASP   5           HB2      ASP   5   3.170   1.734   3.713
   49    H    LEU   6           H        LEU   6   2.270  -0.183  -0.312
   50    HA   LEU   6           HA       LEU   6   0.056   1.537  -1.383
   51    HB2  LEU   6           HB1      LEU   6   0.487   0.862  -3.593
   52    HB3  LEU   6           HB2      LEU   6   1.751   1.823  -2.820
   53    HG   LEU   6           HG       LEU   6   3.317   0.125  -2.883
   54   HD11  LEU   6          HD21      LEU   6   2.158  -1.794  -1.930
   55   HD12  LEU   6          HD22      LEU   6   2.766  -2.221  -3.562
   56   HD13  LEU   6          HD23      LEU   6   1.053  -1.865  -3.341
   57   HD21  LEU   6          HD11      LEU   6   1.530  -0.424  -5.330
   58   HD22  LEU   6          HD12      LEU   6   3.278  -0.708  -5.208
   59   HD23  LEU   6          HD13      LEU   6   2.654   0.960  -5.162
   60    H    LEU   7           H        LEU   7   0.379  -1.820  -0.265
   61    HA   LEU   7           HA       LEU   7  -2.446  -2.089  -1.234
   62    HB2  LEU   7           HB1      LEU   7  -1.416  -4.133   0.613
   63    HB3  LEU   7           HB2      LEU   7  -2.640  -4.179  -0.665
   64    HG   LEU   7           HG       LEU   7   0.368  -4.203  -1.007
   65   HD11  LEU   7          HD21      LEU   7  -1.822  -6.265  -1.562
   66   HD12  LEU   7          HD22      LEU   7  -0.077  -6.514  -1.755
   67   HD13  LEU   7          HD23      LEU   7  -0.757  -6.248  -0.138
   68   HD21  LEU   7          HD11      LEU   7  -1.537  -4.701  -3.298
   69   HD22  LEU   7          HD12      LEU   7  -0.982  -3.038  -2.949
   70   HD23  LEU   7          HD13      LEU   7   0.192  -4.312  -3.310
   71    H    LYS   8           H        LYS   8  -0.727  -1.029   1.600
   72    HA   LYS   8           HA       LYS   8  -3.311  -0.556   2.981
   73    HB2  LYS   8           HB1      LYS   8  -0.680   0.626   3.855
   74    HB3  LYS   8           HB2      LYS   8  -2.143   0.336   4.783
   75    HG2  LYS   8           HG1      LYS   8  -0.093  -1.697   3.833
   76    HG3  LYS   8           HG2      LYS   8  -0.472  -1.229   5.492
   77    HD2  LYS   8           HD1      LYS   8  -2.623  -2.419   5.398
   78    HD3  LYS   8           HD2      LYS   8  -2.387  -2.751   3.674
   79    HE2  LYS   8           HE1      LYS   8  -1.794  -4.765   4.616
   80    HE3  LYS   8           HE2      LYS   8  -0.241  -3.991   4.278
   81    HZ1  LYS   8           HZ1      LYS   8  -0.225  -4.972   6.464
   82    HZ2  LYS   8           HZ2      LYS   8  -0.179  -3.341   6.657
   83    HZ3  LYS   8           HZ3      LYS   8  -1.575  -4.172   6.925
   84    H    ARG   9           H        ARG   9  -2.184   0.514   0.225
   85    HA   ARG   9           HA       ARG   9  -3.827   2.984   0.470
   86    HB2  ARG   9           HB1      ARG   9  -1.582   3.431  -0.446
   87    HB3  ARG   9           HB2      ARG   9  -1.895   2.290  -1.777
   88    HG2  ARG   9           HG1      ARG   9  -3.632   3.653  -2.685
   89    HG3  ARG   9           HG2      ARG   9  -3.585   4.738  -1.276
   90    HD2  ARG   9           HD1      ARG   9  -1.185   4.298  -3.111
   91    HD3  ARG   9           HD2      ARG   9  -2.442   5.468  -3.514
   92    HE   ARG   9           HE       ARG   9  -0.272   5.817  -1.682
   93   HH11  ARG   9          HH12      ARG   9  -3.647   6.674  -1.749
   94   HH12  ARG   9          HH11      ARG   9  -3.374   8.173  -0.882
   95   HH21  ARG   9          HH22      ARG   9   0.015   7.786  -0.728
   96   HH22  ARG   9          HH21      ARG   9  -1.354   8.788  -0.347
   97    H    ILE  10           H        ILE  10  -3.800  -0.264  -0.886
   98    HA   ILE  10           HA       ILE  10  -6.207   0.325  -2.517
   99    HB   ILE  10           HB       ILE  10  -4.643  -2.223  -2.037
  100   HG12  ILE  10          HG12      ILE  10  -5.204  -0.669  -4.618
  101   HG13  ILE  10          HG13      ILE  10  -3.819  -0.308  -3.591
  102   HG21  ILE  10          HG21      ILE  10  -6.123  -3.263  -3.782
  103   HG22  ILE  10          HG22      ILE  10  -6.985  -2.934  -2.280
  104   HG23  ILE  10          HG23      ILE  10  -7.207  -1.864  -3.680
  105   HD11  ILE  10          HD11      ILE  10  -3.016  -1.665  -5.336
  106   HD12  ILE  10          HD12      ILE  10  -3.034  -2.677  -3.875
  107   HD13  ILE  10          HD13      ILE  10  -4.287  -2.883  -5.121
  108    H    LEU  11           H        LEU  11  -5.468  -1.125   0.632
  109    HA   LEU  11           HA       LEU  11  -8.339  -0.663   1.372
  110    HB2  LEU  11           HB1      LEU  11  -6.164  -2.379   2.402
  111    HB3  LEU  11           HB2      LEU  11  -6.964  -1.507   3.676
  112    HG   LEU  11           HG       LEU  11  -7.892  -3.733   3.302
  113   HD11  LEU  11          HD21      LEU  11  -9.299  -2.032   4.344
  114   HD12  LEU  11          HD22      LEU  11  -9.886  -1.491   2.755
  115   HD13  LEU  11          HD23      LEU  11 -10.273  -3.118   3.339
  116   HD21  LEU  11          HD11      LEU  11  -9.219  -4.325   1.403
  117   HD22  LEU  11          HD12      LEU  11  -7.639  -3.782   0.803
  118   HD23  LEU  11          HD13      LEU  11  -9.059  -2.712   0.689
  119    H    LYS  12           H        LYS  12  -7.223   1.610   0.496
  120    HA   LYS  12           HA       LYS  12  -8.205   3.145   2.658
  121    HB2  LYS  12           HB1      LYS  12  -5.331   3.741   1.880
  122    HB3  LYS  12           HB2      LYS  12  -6.403   5.038   2.346
  123    HG2  LYS  12           HG1      LYS  12  -5.337   2.830   4.104
  124    HG3  LYS  12           HG2      LYS  12  -5.160   4.573   4.254
  125    HD2  LYS  12           HD1      LYS  12  -7.599   4.758   4.840
  126    HD3  LYS  12           HD2      LYS  12  -7.734   3.002   4.692
  127    HE2  LYS  12           HE1      LYS  12  -7.580   3.328   6.965
  128    HE3  LYS  12           HE2      LYS  12  -5.999   2.723   6.468
  129    HZ1  LYS  12           HZ1      LYS  12  -5.838   4.585   8.025
  130    HZ2  LYS  12           HZ2      LYS  12  -6.658   5.571   7.009
  131    HZ3  LYS  12           HZ3      LYS  12  -5.168   5.008   6.585
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   8.766  -2.623   1.263
    2    HA   VAL   1           HA       VAL   1  10.807  -2.030  -0.395
    3    HB   VAL   1           HB       VAL   1   9.469  -4.768  -0.321
    4   HG11  VAL   1          HG21      VAL   1  11.888  -5.510  -0.646
    5   HG12  VAL   1          HG22      VAL   1  11.163  -4.714  -2.053
    6   HG13  VAL   1          HG23      VAL   1  12.311  -3.824  -1.009
    7   HG21  VAL   1          HG11      VAL   1   9.967  -3.891   2.000
    8   HG22  VAL   1          HG12      VAL   1  10.998  -5.245   1.542
    9   HG23  VAL   1          HG13      VAL   1  11.647  -3.589   1.492
   10    H    ARG   2           H        ARG   2  10.050  -0.555  -1.710
   11    HA   ARG   2           HA       ARG   2   9.024   0.543  -3.416
   12    HB2  ARG   2           HB1      ARG   2  10.704  -1.057  -4.538
   13    HB3  ARG   2           HB2      ARG   2   9.305  -1.986  -5.064
   14    HG2  ARG   2           HG1      ARG   2  10.040  -0.563  -6.851
   15    HG3  ARG   2           HG2      ARG   2   8.489   0.073  -6.318
   16    HD2  ARG   2           HD1      ARG   2   9.429   1.986  -5.354
   17    HD3  ARG   2           HD2      ARG   2  10.993   1.189  -5.074
   18    HE   ARG   2           HE       ARG   2  10.350   1.529  -7.900
   19   HH11  ARG   2          HH12      ARG   2  11.802   3.157  -5.165
   20   HH12  ARG   2          HH11      ARG   2  12.948   4.015  -6.152
   21   HH21  ARG   2          HH21      ARG   2  11.886   2.645  -9.120
   22   HH22  ARG   2          HH22      ARG   2  12.974   3.733  -8.322
   23    H    ARG   3           H        ARG   3   7.180  -0.723  -1.636
   24    HA   ARG   3           HA       ARG   3   4.917   0.329  -3.048
   25    HB2  ARG   3           HB1      ARG   3   3.419  -1.543  -3.131
   26    HB3  ARG   3           HB2      ARG   3   4.813  -1.845  -4.094
   27    HG2  ARG   3           HG1      ARG   3   5.681  -3.185  -1.961
   28    HG3  ARG   3           HG2      ARG   3   3.979  -3.110  -1.478
   29    HD2  ARG   3           HD1      ARG   3   4.459  -5.207  -2.599
   30    HD3  ARG   3           HD2      ARG   3   3.298  -4.266  -3.531
   31    HE   ARG   3           HE       ARG   3   6.179  -4.748  -4.177
   32   HH11  ARG   3          HH11      ARG   3   3.055  -3.757  -5.363
   33   HH12  ARG   3          HH12      ARG   3   3.640  -3.495  -6.991
   34   HH21  ARG   3          HH21      ARG   3   6.883  -4.280  -6.241
   35   HH22  ARG   3          HH22      ARG   3   5.751  -3.776  -7.460
   36    H    PHE   4           H        PHE   4   6.311   0.424  -0.234
   37    HA   PHE   4           HA       PHE   4   3.830   0.032   1.254
   38    HB2  PHE   4           HB1      PHE   4   6.519  -0.259   2.260
   39    HB3  PHE   4           HB2      PHE   4   5.179   0.115   3.340
   40    HD1  PHE   4           HD2      PHE   4   6.222  -2.255   0.582
   41    HD2  PHE   4           HD1      PHE   4   3.516  -1.528   3.857
   42    HE1  PHE   4           HE2      PHE   4   5.204  -4.500   0.254
   43    HE2  PHE   4           HE1      PHE   4   2.490  -3.771   3.480
   44    HZ   PHE   4           HZ       PHE   4   3.325  -5.228   1.681
   45    H    ASP   5           H        ASP   5   4.206   2.775  -0.277
   46    HA   ASP   5           HA       ASP   5   1.671   2.558   1.283
   47    HB2  ASP   5           HB1      ASP   5   1.053   4.718   0.882
   48    HB3  ASP   5           HB2      ASP   5   2.612   4.805   1.581
   49    H    LEU   6           H        LEU   6   2.005   0.639  -0.605
   50    HA   LEU   6           HA       LEU   6  -0.432   1.359  -2.193
   51    HB2  LEU   6           HB1      LEU   6   0.348   0.416  -3.932
   52    HB3  LEU   6           HB2      LEU   6   1.852   0.132  -3.130
   53    HG   LEU   6           HG       LEU   6   1.458  -1.834  -4.099
   54   HD11  LEU   6          HD21      LEU   6   1.162  -3.570  -2.633
   55   HD12  LEU   6          HD22      LEU   6   1.675  -2.229  -1.586
   56   HD13  LEU   6          HD23      LEU   6  -0.029  -2.739  -1.637
   57   HD21  LEU   6          HD11      LEU   6  -0.355  -2.228  -5.192
   58   HD22  LEU   6          HD12      LEU   6  -1.058  -2.910  -3.737
   59   HD23  LEU   6          HD13      LEU   6  -1.367  -1.204  -4.125
   60    H    LEU   7           H        LEU   7   0.680  -0.688   0.448
   61    HA   LEU   7           HA       LEU   7  -1.616  -2.319   0.566
   62    HB2  LEU   7           HB1      LEU   7  -0.907  -3.078   2.558
   63    HB3  LEU   7           HB2      LEU   7   0.593  -2.566   1.818
   64    HG   LEU   7           HG       LEU   7  -0.969  -0.911   3.872
   65   HD11  LEU   7          HD21      LEU   7   0.002  -1.845   5.616
   66   HD12  LEU   7          HD22      LEU   7   1.506  -2.225   4.785
   67   HD13  LEU   7          HD23      LEU   7   0.082  -3.274   4.578
   68   HD21  LEU   7          HD11      LEU   7   0.509   0.587   2.739
   69   HD22  LEU   7          HD12      LEU   7   1.762  -0.652   2.581
   70   HD23  LEU   7          HD13      LEU   7   1.424   0.090   4.155
   71    H    LYS   8           H        LYS   8  -1.147   0.861   2.177
   72    HA   LYS   8           HA       LYS   8  -3.801   0.933   3.171
   73    HB2  LYS   8           HB1      LYS   8  -3.313   2.885   4.123
   74    HB3  LYS   8           HB2      LYS   8  -1.679   2.363   3.812
   75    HG2  LYS   8           HG1      LYS   8  -3.311   4.457   2.301
   76    HG3  LYS   8           HG2      LYS   8  -1.907   4.719   3.336
   77    HD2  LYS   8           HD1      LYS   8  -0.412   3.761   1.825
   78    HD3  LYS   8           HD2      LYS   8  -1.644   3.020   0.849
   79    HE2  LYS   8           HE1      LYS   8  -0.955   4.715  -0.518
   80    HE3  LYS   8           HE2      LYS   8  -2.505   5.250   0.124
   81    HZ1  LYS   8           HZ1      LYS   8  -1.393   7.136   0.628
   82    HZ2  LYS   8           HZ2      LYS   8  -0.485   6.324   1.758
   83    HZ3  LYS   8           HZ3      LYS   8   0.034   6.450   0.203
   84    H    ARG   9           H        ARG   9  -2.876   0.992   0.026
   85    HA   ARG   9           HA       ARG   9  -5.432   2.228  -0.847
   86    HB2  ARG   9           HB1      ARG   9  -3.882   3.282  -2.097
   87    HB3  ARG   9           HB2      ARG   9  -2.868   1.893  -2.333
   88    HG2  ARG   9           HG1      ARG   9  -5.611   1.758  -3.536
   89    HG3  ARG   9           HG2      ARG   9  -4.514   2.947  -4.227
   90    HD2  ARG   9           HD1      ARG   9  -3.594   0.064  -3.881
   91    HD3  ARG   9           HD2      ARG   9  -4.706   0.519  -5.181
   92    HE   ARG   9           HE       ARG   9  -2.262   2.164  -4.958
   93   HH11  ARG   9          HH11      ARG   9  -3.731  -0.548  -6.625
   94   HH12  ARG   9          HH12      ARG   9  -2.836  -0.267  -8.087
   95   HH21  ARG   9          HH21      ARG   9  -1.183   2.509  -6.911
   96   HH22  ARG   9          HH22      ARG   9  -1.433   1.407  -8.224
   97    H    ILE  10           H        ILE  10  -3.770  -0.994  -0.824
   98    HA   ILE  10           HA       ILE  10  -6.089  -2.203  -2.097
   99    HB   ILE  10           HB       ILE  10  -5.283  -4.281  -1.762
  100   HG12  ILE  10          HG12      ILE  10  -3.697  -3.399   0.649
  101   HG13  ILE  10          HG13      ILE  10  -5.014  -4.566   0.557
  102   HG21  ILE  10          HG21      ILE  10  -3.097  -4.254  -2.650
  103   HG22  ILE  10          HG22      ILE  10  -2.680  -2.726  -1.832
  104   HG23  ILE  10          HG23      ILE  10  -3.863  -2.763  -3.181
  105   HD11  ILE  10          HD11      ILE  10  -2.825  -5.656   0.863
  106   HD12  ILE  10          HD12      ILE  10  -3.576  -6.128  -0.681
  107   HD13  ILE  10          HD13      ILE  10  -2.221  -4.960  -0.636
  108    H    LEU  11           H        LEU  11  -5.468  -1.467   1.366
  109    HA   LEU  11           HA       LEU  11  -7.905  -2.820   2.110
  110    HB2  LEU  11           HB1      LEU  11  -7.200  -2.672   4.146
  111    HB3  LEU  11           HB2      LEU  11  -5.711  -2.104   3.494
  112    HG   LEU  11           HG       LEU  11  -7.381   0.234   3.908
  113   HD11  LEU  11          HD21      LEU  11  -8.761  -1.254   5.365
  114   HD12  LEU  11          HD22      LEU  11  -7.991   0.074   6.239
  115   HD13  LEU  11          HD23      LEU  11  -7.317  -1.572   6.356
  116   HD21  LEU  11          HD11      LEU  11  -5.595   0.128   6.072
  117   HD22  LEU  11          HD12      LEU  11  -4.734  -0.628   4.723
  118   HD23  LEU  11          HD13      LEU  11  -5.459   0.995   4.554
  119    H    LYS  12           H        LYS  12  -7.863  -0.116   0.276
  120    HA   LYS  12           HA       LYS  12  -9.362   1.888   1.603
  121    HB2  LYS  12           HB1      LYS  12  -9.107   1.077  -1.314
  122    HB3  LYS  12           HB2      LYS  12 -10.203   2.395  -0.883
  123    HG2  LYS  12           HG1      LYS  12  -8.525   3.846  -0.159
  124    HG3  LYS  12           HG2      LYS  12  -7.328   2.549  -0.078
  125    HD2  LYS  12           HD1      LYS  12  -6.752   3.604  -2.094
  126    HD3  LYS  12           HD2      LYS  12  -7.736   2.246  -2.620
  127    HE2  LYS  12           HE1      LYS  12  -8.400   3.966  -3.988
  128    HE3  LYS  12           HE2      LYS  12  -9.710   3.831  -2.815
  129    HZ1  LYS  12           HZ1      LYS  12  -9.044   6.140  -3.230
  130    HZ2  LYS  12           HZ2      LYS  12  -7.516   5.845  -2.717
  131    HZ3  LYS  12           HZ3      LYS  12  -8.774   5.757  -1.658
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1  11.713  -1.713  -5.121
    2    HA   VAL   1           HA       VAL   1  10.816  -3.208  -3.227
    3    HB   VAL   1           HB       VAL   1  11.595  -0.634  -1.831
    4   HG11  VAL   1          HG21      VAL   1  10.187  -1.335   0.174
    5   HG12  VAL   1          HG22      VAL   1   9.344  -0.554  -1.148
    6   HG13  VAL   1          HG23      VAL   1   9.261  -2.347  -0.959
    7   HG21  VAL   1          HG11      VAL   1  12.971  -2.725  -1.685
    8   HG22  VAL   1          HG12      VAL   1  11.589  -3.553  -0.913
    9   HG23  VAL   1          HG13      VAL   1  12.378  -2.168  -0.102
   10    H    ARG   2           H        ARG   2  10.164   0.282  -3.621
   11    HA   ARG   2           HA       ARG   2   8.117   1.382  -3.634
   12    HB2  ARG   2           HB1      ARG   2   8.982   1.070  -5.998
   13    HB3  ARG   2           HB2      ARG   2   7.801  -0.224  -6.200
   14    HG2  ARG   2           HG1      ARG   2   6.993   1.847  -7.175
   15    HG3  ARG   2           HG2      ARG   2   5.955   1.415  -5.828
   16    HD2  ARG   2           HD1      ARG   2   8.172   3.159  -4.960
   17    HD3  ARG   2           HD2      ARG   2   7.312   3.881  -6.301
   18    HE   ARG   2           HE       ARG   2   6.413   3.703  -3.582
   19   HH11  ARG   2          HH12      ARG   2   5.078   3.593  -6.805
   20   HH12  ARG   2          HH11      ARG   2   3.501   4.111  -6.287
   21   HH21  ARG   2          HH22      ARG   2   4.399   4.377  -2.953
   22   HH22  ARG   2          HH21      ARG   2   3.152   4.580  -4.144
   23    H    ARG   3           H        ARG   3   7.978  -0.739  -1.988
   24    HA   ARG   3           HA       ARG   3   5.258  -1.745  -2.371
   25    HB2  ARG   3           HB1      ARG   3   7.053  -3.401  -2.640
   26    HB3  ARG   3           HB2      ARG   3   7.351  -3.361  -0.918
   27    HG2  ARG   3           HG1      ARG   3   5.592  -4.687  -0.533
   28    HG3  ARG   3           HG2      ARG   3   4.504  -3.652  -1.463
   29    HD2  ARG   3           HD1      ARG   3   6.121  -5.914  -2.644
   30    HD3  ARG   3           HD2      ARG   3   4.393  -5.891  -2.203
   31    HE   ARG   3           HE       ARG   3   4.515  -3.795  -3.944
   32   HH11  ARG   3          HH12      ARG   3   5.596  -7.132  -4.393
   33   HH12  ARG   3          HH11      ARG   3   5.332  -7.050  -6.106
   34   HH21  ARG   3          HH22      ARG   3   4.209  -3.826  -6.151
   35   HH22  ARG   3          HH21      ARG   3   4.542  -5.278  -7.042
   36    H    PHE   4           H        PHE   4   5.972  -2.467   0.852
   37    HA   PHE   4           HA       PHE   4   3.448  -1.475   1.176
   38    HB2  PHE   4           HB1      PHE   4   5.319  -2.974   2.935
   39    HB3  PHE   4           HB2      PHE   4   3.743  -2.552   3.537
   40    HD1  PHE   4           HD2      PHE   4   3.100  -3.117   0.066
   41    HD2  PHE   4           HD1      PHE   4   3.962  -5.083   3.815
   42    HE1  PHE   4           HE2      PHE   4   2.020  -5.168  -0.763
   43    HE2  PHE   4           HE1      PHE   4   2.824  -7.121   2.983
   44    HZ   PHE   4           HZ       PHE   4   1.889  -7.182   0.683
   45    H    ASP   5           H        ASP   5   4.415   1.277   1.136
   46    HA   ASP   5           HA       ASP   5   1.858   1.281   2.681
   47    HB2  ASP   5           HB1      ASP   5   1.697   3.697   2.461
   48    HB3  ASP   5           HB2      ASP   5   2.951   3.078   3.494
   49    H    LEU   6           H        LEU   6   2.524   0.100  -0.122
   50    HA   LEU   6           HA       LEU   6   0.091   1.288  -1.362
   51    HB2  LEU   6           HB1      LEU   6   0.855   1.117  -3.341
   52    HB3  LEU   6           HB2      LEU   6   2.379   1.209  -2.475
   53    HG   LEU   6           HG       LEU   6   2.824  -0.330  -4.074
   54   HD11  LEU   6          HD21      LEU   6   2.908  -2.583  -3.215
   55   HD12  LEU   6          HD22      LEU   6   1.739  -2.219  -1.941
   56   HD13  LEU   6          HD23      LEU   6   3.296  -1.392  -1.947
   57   HD21  LEU   6          HD11      LEU   6   1.397  -2.034  -5.011
   58   HD22  LEU   6          HD12      LEU   6   0.115  -1.649  -3.835
   59   HD23  LEU   6          HD13      LEU   6   0.593  -0.453  -5.080
   60    H    LEU   7           H        LEU   7   0.570  -1.605   0.347
   61    HA   LEU   7           HA       LEU   7  -2.158  -2.394  -0.594
   62    HB2  LEU   7           HB1      LEU   7  -2.064  -4.320   0.484
   63    HB3  LEU   7           HB2      LEU   7  -0.377  -4.132   0.035
   64    HG   LEU   7           HG       LEU   7  -1.614  -3.622   2.797
   65   HD11  LEU   7          HD21      LEU   7  -1.614  -5.884   2.639
   66   HD12  LEU   7          HD22      LEU   7   0.046  -5.668   3.214
   67   HD13  LEU   7          HD23      LEU   7  -0.273  -5.955   1.494
   68   HD21  LEU   7          HD11      LEU   7   0.199  -2.209   2.989
   69   HD22  LEU   7          HD12      LEU   7   1.058  -3.716   3.274
   70   HD23  LEU   7          HD13      LEU   7   1.061  -2.971   1.672
   71    H    LYS   8           H        LYS   8  -0.588  -0.493   1.918
   72    HA   LYS   8           HA       LYS   8  -3.182  -0.092   3.241
   73    HB2  LYS   8           HB1      LYS   8  -0.689   1.506   3.770
   74    HB3  LYS   8           HB2      LYS   8  -2.170   1.469   4.692
   75    HG2  LYS   8           HG1      LYS   8   0.167  -0.323   4.763
   76    HG3  LYS   8           HG2      LYS   8  -0.829   0.238   6.070
   77    HD2  LYS   8           HD1      LYS   8  -2.112  -1.852   4.382
   78    HD3  LYS   8           HD2      LYS   8  -0.595  -2.339   5.103
   79    HE2  LYS   8           HE1      LYS   8  -2.985  -1.380   6.715
   80    HE3  LYS   8           HE2      LYS   8  -2.630  -3.055   6.296
   81    HZ1  LYS   8           HZ1      LYS   8  -1.815  -2.653   8.467
   82    HZ2  LYS   8           HZ2      LYS   8  -0.508  -2.848   7.511
   83    HZ3  LYS   8           HZ3      LYS   8  -0.939  -1.345   8.022
   84    H    ARG   9           H        ARG   9  -1.780   1.031   0.336
   85    HA   ARG   9           HA       ARG   9  -4.024   2.925  -0.057
   86    HB2  ARG   9           HB1      ARG   9  -2.141   1.675  -2.089
   87    HB3  ARG   9           HB2      ARG   9  -3.395   2.813  -2.480
   88    HG2  ARG   9           HG1      ARG   9  -1.328   3.615  -0.427
   89    HG3  ARG   9           HG2      ARG   9  -0.884   3.570  -2.134
   90    HD2  ARG   9           HD1      ARG   9  -2.764   5.127  -2.635
   91    HD3  ARG   9           HD2      ARG   9  -3.129   5.209  -0.906
   92    HE   ARG   9           HE       ARG   9  -0.567   6.101  -2.212
   93   HH11  ARG   9          HH12      ARG   9  -2.858   6.639   0.396
   94   HH12  ARG   9          HH11      ARG   9  -1.949   7.990   1.005
   95   HH21  ARG   9          HH22      ARG   9   0.595   7.738  -1.268
   96   HH22  ARG   9          HH21      ARG   9  -0.060   8.574   0.093
   97    H    ILE  10           H        ILE  10  -3.505  -0.584  -0.847
   98    HA   ILE  10           HA       ILE  10  -5.968  -0.583  -2.366
   99    HB   ILE  10           HB       ILE  10  -4.328  -2.951  -1.489
  100   HG12  ILE  10          HG12      ILE  10  -4.668  -1.840  -4.320
  101   HG13  ILE  10          HG13      ILE  10  -3.468  -1.145  -3.251
  102   HG21  ILE  10          HG21      ILE  10  -5.627  -4.200  -3.228
  103   HG22  ILE  10          HG22      ILE  10  -6.663  -2.788  -3.476
  104   HG23  ILE  10          HG23      ILE  10  -6.685  -3.662  -1.932
  105   HD11  ILE  10          HD11      ILE  10  -2.329  -2.748  -4.564
  106   HD12  ILE  10          HD12      ILE  10  -2.474  -3.463  -2.947
  107   HD13  ILE  10          HD13      ILE  10  -3.544  -4.000  -4.266
  108    H    LEU  11           H        LEU  11  -5.450  -1.166   1.118
  109    HA   LEU  11           HA       LEU  11  -8.121  -2.065   1.573
  110    HB2  LEU  11           HB1      LEU  11  -7.583  -2.153   3.681
  111    HB3  LEU  11           HB2      LEU  11  -5.964  -1.768   3.199
  112    HG   LEU  11           HG       LEU  11  -7.399   0.748   3.766
  113   HD11  LEU  11          HD21      LEU  11  -8.907  -0.638   5.177
  114   HD12  LEU  11          HD22      LEU  11  -7.878   0.439   6.129
  115   HD13  LEU  11          HD23      LEU  11  -7.482  -1.291   6.028
  116   HD21  LEU  11          HD11      LEU  11  -5.144  -0.711   5.160
  117   HD22  LEU  11          HD12      LEU  11  -5.048   0.583   3.931
  118   HD23  LEU  11          HD13      LEU  11  -5.687   0.945   5.521
  119    H    LYS  12           H        LYS  12  -7.147   1.021   0.575
  120    HA   LYS  12           HA       LYS  12  -7.860   2.852   2.153
  121    HB2  LYS  12           HB1      LYS  12  -8.153   4.457   0.497
  122    HB3  LYS  12           HB2      LYS  12  -7.076   3.266  -0.138
  123    HG2  LYS  12           HG1      LYS  12  -9.828   4.047  -1.001
  124    HG3  LYS  12           HG2      LYS  12  -8.376   3.922  -1.952
  125    HD2  LYS  12           HD1      LYS  12  -9.986   1.511  -0.983
  126    HD3  LYS  12           HD2      LYS  12 -10.229   2.350  -2.515
  127    HE2  LYS  12           HE1      LYS  12  -7.832   1.863  -3.118
  128    HE3  LYS  12           HE2      LYS  12  -7.731   0.871  -1.663
  129    HZ1  LYS  12           HZ1      LYS  12  -9.729   0.378  -3.789
  130    HZ2  LYS  12           HZ2      LYS  12  -8.286  -0.413  -3.683
  131    HZ3  LYS  12           HZ3      LYS  12  -9.374  -0.582  -2.484
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1  12.175  -1.790  -4.068
    2    HA   VAL   1           HA       VAL   1  10.974  -2.473  -1.967
    3    HB   VAL   1           HB       VAL   1  10.350  -0.339  -0.557
    4   HG11  VAL   1          HG21      VAL   1  11.442  -2.274   0.395
    5   HG12  VAL   1          HG22      VAL   1  12.210  -0.797   1.006
    6   HG13  VAL   1          HG23      VAL   1  13.014  -1.754  -0.258
    7   HG21  VAL   1          HG11      VAL   1  12.071   1.317  -0.249
    8   HG22  VAL   1          HG12      VAL   1  11.709   1.301  -1.988
    9   HG23  VAL   1          HG13      VAL   1  13.159   0.492  -1.379
   10    H    ARG   2           H        ARG   2  10.012   0.885  -2.444
   11    HA   ARG   2           HA       ARG   2   7.832   1.549  -2.780
   12    HB2  ARG   2           HB1      ARG   2   8.924   0.783  -5.461
   13    HB3  ARG   2           HB2      ARG   2   7.200   1.087  -5.374
   14    HG2  ARG   2           HG1      ARG   2   8.148   3.155  -5.924
   15    HG3  ARG   2           HG2      ARG   2   7.596   3.270  -4.266
   16    HD2  ARG   2           HD1      ARG   2   9.626   4.011  -3.648
   17    HD3  ARG   2           HD2      ARG   2  10.315   2.451  -4.075
   18    HE   ARG   2           HE       ARG   2  11.186   3.320  -6.021
   19   HH11  ARG   2          HH12      ARG   2   9.067   5.776  -4.688
   20   HH12  ARG   2          HH11      ARG   2   9.462   6.922  -5.933
   21   HH21  ARG   2          HH22      ARG   2  11.630   4.838  -7.594
   22   HH22  ARG   2          HH21      ARG   2  10.864   6.391  -7.538
   23    H    ARG   3           H        ARG   3   7.974  -0.941  -1.549
   24    HA   ARG   3           HA       ARG   3   5.235  -1.861  -2.209
   25    HB2  ARG   3           HB1      ARG   3   7.351  -3.504  -1.911
   26    HB3  ARG   3           HB2      ARG   3   6.844  -3.438  -0.224
   27    HG2  ARG   3           HG1      ARG   3   5.584  -5.245  -1.105
   28    HG3  ARG   3           HG2      ARG   3   4.456  -3.882  -1.212
   29    HD2  ARG   3           HD1      ARG   3   5.187  -3.574  -3.626
   30    HD3  ARG   3           HD2      ARG   3   6.059  -5.113  -3.470
   31    HE   ARG   3           HE       ARG   3   3.380  -5.520  -2.594
   32   HH11  ARG   3          HH12      ARG   3   5.030  -5.004  -5.652
   33   HH12  ARG   3          HH11      ARG   3   3.773  -5.792  -6.555
   34   HH21  ARG   3          HH22      ARG   3   1.798  -6.492  -3.838
   35   HH22  ARG   3          HH21      ARG   3   1.999  -6.579  -5.556
   36    H    PHE   4           H        PHE   4   5.409  -2.566   0.973
   37    HA   PHE   4           HA       PHE   4   3.040  -1.260   0.965
   38    HB2  PHE   4           HB1      PHE   4   4.541  -2.446   3.283
   39    HB3  PHE   4           HB2      PHE   4   2.835  -1.998   3.354
   40    HD1  PHE   4           HD1      PHE   4   2.872  -3.217   0.120
   41    HD2  PHE   4           HD2      PHE   4   3.363  -4.532   4.204
   42    HE1  PHE   4           HE1      PHE   4   2.512  -5.565  -0.571
   43    HE2  PHE   4           HE2      PHE   4   2.890  -6.861   3.500
   44    HZ   PHE   4           HZ       PHE   4   2.527  -7.389   1.104
   45    H    ASP   5           H        ASP   5   3.670   1.519   0.729
   46    HA   ASP   5           HA       ASP   5   1.390   0.956   2.547
   47    HB2  ASP   5           HB1      ASP   5   0.797   3.300   2.542
   48    HB3  ASP   5           HB2      ASP   5   2.377   3.009   3.224
   49    H    LEU   6           H        LEU   6   2.358   0.702  -0.637
   50    HA   LEU   6           HA       LEU   6  -0.127   1.293  -1.783
   51    HB2  LEU   6           HB1      LEU   6   0.692   0.784  -3.771
   52    HB3  LEU   6           HB2      LEU   6   2.132   1.123  -2.833
   53    HG   LEU   6           HG       LEU   6   2.838  -0.585  -4.088
   54   HD11  LEU   6          HD21      LEU   6   3.008  -1.284  -1.672
   55   HD12  LEU   6          HD22      LEU   6   3.145  -2.557  -2.904
   56   HD13  LEU   6          HD23      LEU   6   1.648  -2.394  -1.972
   57   HD21  LEU   6          HD11      LEU   6   1.665  -2.483  -4.951
   58   HD22  LEU   6          HD12      LEU   6   0.223  -2.114  -3.979
   59   HD23  LEU   6          HD13      LEU   6   0.735  -1.026  -5.283
   60    H    LEU   7           H        LEU   7   0.033  -1.302   0.279
   61    HA   LEU   7           HA       LEU   7  -2.457  -2.328  -1.030
   62    HB2  LEU   7           HB1      LEU   7  -1.411  -3.736   1.348
   63    HB3  LEU   7           HB2      LEU   7  -2.524  -4.257   0.090
   64    HG   LEU   7           HG       LEU   7   0.475  -3.963  -0.128
   65   HD11  LEU   7          HD21      LEU   7  -1.376  -6.394  -0.199
   66   HD12  LEU   7          HD22      LEU   7   0.389  -6.441  -0.257
   67   HD13  LEU   7          HD23      LEU   7  -0.429  -5.872   1.203
   68   HD21  LEU   7          HD11      LEU   7  -1.158  -5.299  -2.286
   69   HD22  LEU   7          HD12      LEU   7   0.522  -4.755  -2.322
   70   HD23  LEU   7          HD13      LEU   7  -0.784  -3.567  -2.374
   71    H    LYS   8           H        LYS   8  -1.349  -0.392   1.654
   72    HA   LYS   8           HA       LYS   8  -4.169   0.088   2.370
   73    HB2  LYS   8           HB1      LYS   8  -3.311   2.067   3.671
   74    HB3  LYS   8           HB2      LYS   8  -3.115   0.457   4.306
   75    HG2  LYS   8           HG1      LYS   8  -0.774   1.725   2.917
   76    HG3  LYS   8           HG2      LYS   8  -1.233   2.325   4.480
   77    HD2  LYS   8           HD1      LYS   8  -1.142  -0.145   5.277
   78    HD3  LYS   8           HD2      LYS   8  -0.386  -0.501   3.737
   79    HE2  LYS   8           HE1      LYS   8   0.922  -0.038   6.052
   80    HE3  LYS   8           HE2      LYS   8   1.647   0.101   4.464
   81    HZ1  LYS   8           HZ1      LYS   8   2.176   1.985   5.793
   82    HZ2  LYS   8           HZ2      LYS   8   1.274   2.495   4.547
   83    HZ3  LYS   8           HZ3      LYS   8   0.604   2.379   6.051
   84    H    ARG   9           H        ARG   9  -2.508   0.697  -0.330
   85    HA   ARG   9           HA       ARG   9  -4.493   2.801  -1.087
   86    HB2  ARG   9           HB1      ARG   9  -2.331   3.218  -1.941
   87    HB3  ARG   9           HB2      ARG   9  -2.141   1.576  -2.563
   88    HG2  ARG   9           HG1      ARG   9  -3.700   1.889  -4.314
   89    HG3  ARG   9           HG2      ARG   9  -4.297   3.402  -3.618
   90    HD2  ARG   9           HD1      ARG   9  -1.543   2.897  -4.851
   91    HD3  ARG   9           HD2      ARG   9  -2.861   3.805  -5.585
   92    HE   ARG   9           HE       ARG   9  -0.903   4.772  -3.728
   93   HH11  ARG   9          HH11      ARG   9  -4.329   5.221  -4.262
   94   HH12  ARG   9          HH12      ARG   9  -4.293   6.873  -3.721
   95   HH21  ARG   9          HH21      ARG   9  -0.903   6.933  -3.176
   96   HH22  ARG   9          HH22      ARG   9  -2.398   7.813  -3.150
   97    H    ILE  10           H        ILE  10  -3.982  -0.699  -1.516
   98    HA   ILE  10           HA       ILE  10  -6.320  -0.981  -3.234
   99    HB   ILE  10           HB       ILE  10  -4.847  -3.024  -1.543
  100   HG12  ILE  10          HG13      ILE  10  -4.765  -2.627  -4.577
  101   HG13  ILE  10          HG12      ILE  10  -3.583  -1.916  -3.487
  102   HG21  ILE  10          HG21      ILE  10  -5.995  -4.743  -2.928
  103   HG22  ILE  10          HG22      ILE  10  -7.154  -3.816  -1.989
  104   HG23  ILE  10          HG23      ILE  10  -6.949  -3.474  -3.714
  105   HD11  ILE  10          HD11      ILE  10  -2.523  -3.856  -4.196
  106   HD12  ILE  10          HD12      ILE  10  -3.180  -4.314  -2.609
  107   HD13  ILE  10          HD13      ILE  10  -3.991  -4.843  -4.096
  108    H    LEU  11           H        LEU  11  -5.833  -1.139   0.314
  109    HA   LEU  11           HA       LEU  11  -8.651  -1.629   0.777
  110    HB2  LEU  11           HB1      LEU  11  -7.948  -2.379   2.710
  111    HB3  LEU  11           HB2      LEU  11  -6.330  -2.084   2.176
  112    HG   LEU  11           HG       LEU  11  -7.045   0.404   3.271
  113   HD11  LEU  11          HD21      LEU  11  -9.158  -0.594   4.174
  114   HD12  LEU  11          HD22      LEU  11  -8.061  -0.074   5.462
  115   HD13  LEU  11          HD23      LEU  11  -8.201  -1.796   5.042
  116   HD21  LEU  11          HD11      LEU  11  -5.905  -1.403   5.289
  117   HD22  LEU  11          HD12      LEU  11  -5.031  -1.398   3.758
  118   HD23  LEU  11          HD13      LEU  11  -5.334   0.128   4.614
  119    H    LYS  12           H        LYS  12  -7.105   1.326   0.080
  120    HA   LYS  12           HA       LYS  12  -9.596   2.679   0.515
  121    HB2  LYS  12           HB1      LYS  12  -9.044   4.473   1.900
  122    HB3  LYS  12           HB2      LYS  12  -8.692   3.013   2.783
  123    HG2  LYS  12           HG1      LYS  12  -6.289   4.127   1.466
  124    HG3  LYS  12           HG2      LYS  12  -7.087   5.303   2.471
  125    HD2  LYS  12           HD1      LYS  12  -6.201   2.562   3.447
  126    HD3  LYS  12           HD2      LYS  12  -5.252   4.049   3.565
  127    HE2  LYS  12           HE1      LYS  12  -7.134   5.096   4.873
  128    HE3  LYS  12           HE2      LYS  12  -7.953   3.528   4.883
  129    HZ1  LYS  12           HZ1      LYS  12  -6.642   3.914   6.900
  130    HZ2  LYS  12           HZ2      LYS  12  -6.070   2.610   6.087
  131    HZ3  LYS  12           HZ3      LYS  12  -5.262   4.048   6.024
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1  11.039  -1.785  -6.047
    2    HA   VAL   1           HA       VAL   1  10.910  -2.845  -3.323
    3    HB   VAL   1           HB       VAL   1  13.311  -2.112  -3.792
    4   HG11  VAL   1          HG21      VAL   1  12.757   0.140  -4.730
    5   HG12  VAL   1          HG22      VAL   1  13.832   0.227  -3.326
    6   HG13  VAL   1          HG23      VAL   1  12.122   0.632  -3.138
    7   HG21  VAL   1          HG11      VAL   1  12.418  -2.728  -1.555
    8   HG22  VAL   1          HG12      VAL   1  13.643  -1.454  -1.480
    9   HG23  VAL   1          HG13      VAL   1  11.937  -1.037  -1.291
   10    H    ARG   2           H        ARG   2   9.760  -0.420  -5.470
   11    HA   ARG   2           HA       ARG   2   8.344   1.199  -3.540
   12    HB2  ARG   2           HB1      ARG   2   8.606   2.044  -5.771
   13    HB3  ARG   2           HB2      ARG   2   7.872   0.610  -6.478
   14    HG2  ARG   2           HG1      ARG   2   6.369   2.532  -6.603
   15    HG3  ARG   2           HG2      ARG   2   5.663   1.234  -5.667
   16    HD2  ARG   2           HD1      ARG   2   6.426   2.493  -3.557
   17    HD3  ARG   2           HD2      ARG   2   6.813   3.856  -4.632
   18    HE   ARG   2           HE       ARG   2   4.262   3.389  -5.341
   19   HH11  ARG   2          HH12      ARG   2   5.557   3.803  -2.073
   20   HH12  ARG   2          HH11      ARG   2   4.030   3.908  -1.320
   21   HH21  ARG   2          HH22      ARG   2   2.352   4.021  -4.434
   22   HH22  ARG   2          HH21      ARG   2   2.294   4.355  -2.715
   23    H    ARG   3           H        ARG   3   7.747  -0.326  -2.029
   24    HA   ARG   3           HA       ARG   3   5.104  -1.490  -2.477
   25    HB2  ARG   3           HB1      ARG   3   7.307  -3.107  -2.938
   26    HB3  ARG   3           HB2      ARG   3   6.992  -3.510  -1.242
   27    HG2  ARG   3           HG1      ARG   3   4.636  -3.983  -1.842
   28    HG3  ARG   3           HG2      ARG   3   4.895  -3.363  -3.480
   29    HD2  ARG   3           HD1      ARG   3   4.541  -5.861  -3.098
   30    HD3  ARG   3           HD2      ARG   3   5.545  -5.184  -4.366
   31    HE   ARG   3           HE       ARG   3   7.274  -6.369  -3.596
   32   HH11  ARG   3          HH12      ARG   3   5.266  -6.239  -0.765
   33   HH12  ARG   3          HH11      ARG   3   6.587  -6.601   0.304
   34   HH21  ARG   3          HH22      ARG   3   8.916  -6.777  -2.230
   35   HH22  ARG   3          HH21      ARG   3   8.666  -6.806  -0.511
   36    H    PHE   4           H        PHE   4   5.807  -2.816   0.369
   37    HA   PHE   4           HA       PHE   4   3.453  -1.818   1.009
   38    HB2  PHE   4           HB1      PHE   4   5.458  -3.328   2.588
   39    HB3  PHE   4           HB2      PHE   4   3.940  -2.941   3.329
   40    HD1  PHE   4           HD2      PHE   4   3.231  -3.478  -0.179
   41    HD2  PHE   4           HD1      PHE   4   4.044  -5.477   3.556
   42    HE1  PHE   4           HE2      PHE   4   2.353  -5.579  -1.115
   43    HE2  PHE   4           HE1      PHE   4   3.034  -7.550   2.641
   44    HZ   PHE   4           HZ       PHE   4   2.248  -7.622   0.285
   45    H    ASP   5           H        ASP   5   4.586   0.993   1.079
   46    HA   ASP   5           HA       ASP   5   1.933   0.981   2.513
   47    HB2  ASP   5           HB1      ASP   5   1.838   3.360   2.524
   48    HB3  ASP   5           HB2      ASP   5   3.212   2.759   3.399
   49    H    LEU   6           H        LEU   6   2.423  -0.259  -0.179
   50    HA   LEU   6           HA       LEU   6   0.485   1.420  -1.710
   51    HB2  LEU   6           HB1      LEU   6   1.428   0.923  -3.602
   52    HB3  LEU   6           HB2      LEU   6   2.813   0.683  -2.546
   53    HG   LEU   6           HG       LEU   6   3.003  -1.003  -4.043
   54   HD11  LEU   6          HD21      LEU   6   1.326  -2.590  -2.074
   55   HD12  LEU   6          HD22      LEU   6   2.769  -3.052  -2.988
   56   HD13  LEU   6          HD23      LEU   6   2.918  -1.870  -1.642
   57   HD21  LEU   6          HD11      LEU   6   1.377  -2.368  -5.074
   58   HD22  LEU   6          HD12      LEU   6   0.095  -1.908  -3.918
   59   HD23  LEU   6          HD13      LEU   6   0.707  -0.714  -5.102
   60    H    LEU   7           H        LEU   7   0.252  -1.297   0.166
   61    HA   LEU   7           HA       LEU   7  -2.453  -1.867  -1.004
   62    HB2  LEU   7           HB1      LEU   7  -2.447  -3.959   0.246
   63    HB3  LEU   7           HB2      LEU   7  -1.347  -3.866  -1.106
   64    HG   LEU   7           HG       LEU   7   0.444  -4.356   0.071
   65   HD11  LEU   7          HD21      LEU   7   1.020  -3.711   2.404
   66   HD12  LEU   7          HD22      LEU   7  -0.500  -2.803   2.504
   67   HD13  LEU   7          HD23      LEU   7   0.804  -2.306   1.392
   68   HD21  LEU   7          HD11      LEU   7  -1.579  -4.997   2.263
   69   HD22  LEU   7          HD12      LEU   7  -1.285  -5.999   0.822
   70   HD23  LEU   7          HD13      LEU   7   0.005  -5.786   2.022
   71    H    LYS   8           H        LYS   8  -0.926  -0.378   1.650
   72    HA   LYS   8           HA       LYS   8  -3.618   0.024   2.879
   73    HB2  LYS   8           HB1      LYS   8  -1.104   1.468   3.665
   74    HB3  LYS   8           HB2      LYS   8  -2.616   1.363   4.522
   75    HG2  LYS   8           HG1      LYS   8  -0.236  -0.309   4.634
   76    HG3  LYS   8           HG2      LYS   8  -1.409   0.008   5.864
   77    HD2  LYS   8           HD1      LYS   8  -2.369  -2.014   3.918
   78    HD3  LYS   8           HD2      LYS   8  -0.789  -2.382   4.607
   79    HE2  LYS   8           HE1      LYS   8  -1.708  -2.229   6.894
   80    HE3  LYS   8           HE2      LYS   8  -3.317  -1.951   6.220
   81    HZ1  LYS   8           HZ1      LYS   8  -3.041  -4.281   6.714
   82    HZ2  LYS   8           HZ2      LYS   8  -1.654  -4.392   5.858
   83    HZ3  LYS   8           HZ3      LYS   8  -3.087  -4.145   5.084
   84    H    ARG   9           H        ARG   9  -2.105   0.900   0.078
   85    HA   ARG   9           HA       ARG   9  -3.893   3.279  -0.232
   86    HB2  ARG   9           HB1      ARG   9  -2.137   1.943  -2.332
   87    HB3  ARG   9           HB2      ARG   9  -3.159   3.328  -2.610
   88    HG2  ARG   9           HG1      ARG   9  -1.008   3.351  -0.501
   89    HG3  ARG   9           HG2      ARG   9  -0.607   3.696  -2.181
   90    HD2  ARG   9           HD1      ARG   9  -1.796   5.715  -2.166
   91    HD3  ARG   9           HD2      ARG   9  -2.791   5.257  -0.778
   92    HE   ARG   9           HE       ARG   9  -0.137   6.478  -0.714
   93   HH11  ARG   9          HH12      ARG   9  -2.399   4.611   1.245
   94   HH12  ARG   9          HH11      ARG   9  -1.615   5.082   2.714
   95   HH21  ARG   9          HH22      ARG   9   0.889   6.898   1.235
   96   HH22  ARG   9          HH21      ARG   9   0.264   6.221   2.688
   97    H    ILE  10           H        ILE  10  -3.564  -0.036  -1.658
   98    HA   ILE  10           HA       ILE  10  -6.083  -0.100  -2.782
   99    HB   ILE  10           HB       ILE  10  -4.588  -2.452  -1.584
  100   HG12  ILE  10          HG13      ILE  10  -4.716  -1.679  -4.539
  101   HG13  ILE  10          HG12      ILE  10  -3.524  -0.940  -3.488
  102   HG21  ILE  10          HG21      ILE  10  -5.874  -3.851  -3.188
  103   HG22  ILE  10          HG22      ILE  10  -6.825  -2.433  -3.673
  104   HG23  ILE  10          HG23      ILE  10  -6.953  -3.079  -2.023
  105   HD11  ILE  10          HD11      ILE  10  -2.377  -2.722  -4.466
  106   HD12  ILE  10          HD12      ILE  10  -2.784  -3.330  -2.851
  107   HD13  ILE  10          HD13      ILE  10  -3.728  -3.854  -4.265
  108    H    LEU  11           H        LEU  11  -5.498  -1.005   0.691
  109    HA   LEU  11           HA       LEU  11  -8.298  -1.576   1.085
  110    HB2  LEU  11           HB1      LEU  11  -7.649  -2.551   2.928
  111    HB3  LEU  11           HB2      LEU  11  -6.036  -2.279   2.383
  112    HG   LEU  11           HG       LEU  11  -6.613   0.066   3.875
  113   HD11  LEU  11          HD21      LEU  11  -8.696  -1.042   4.740
  114   HD12  LEU  11          HD22      LEU  11  -7.510  -0.782   6.024
  115   HD13  LEU  11          HD23      LEU  11  -7.727  -2.401   5.318
  116   HD21  LEU  11          HD11      LEU  11  -5.437  -2.127   5.484
  117   HD22  LEU  11          HD12      LEU  11  -4.846  -0.499   5.111
  118   HD23  LEU  11          HD13      LEU  11  -4.624  -1.813   3.934
  119    H    LYS  12           H        LYS  12  -7.059   1.438   0.563
  120    HA   LYS  12           HA       LYS  12  -7.639   3.580   1.121
  121    HB2  LYS  12           HB1      LYS  12 -10.342   2.795   2.173
  122    HB3  LYS  12           HB2      LYS  12  -9.900   4.168   1.190
  123    HG2  LYS  12           HG1      LYS  12 -10.087   1.319   0.056
  124    HG3  LYS  12           HG2      LYS  12 -11.462   2.394   0.234
  125    HD2  LYS  12           HD1      LYS  12 -10.313   4.060  -1.287
  126    HD3  LYS  12           HD2      LYS  12  -9.041   2.852  -1.554
  127    HE2  LYS  12           HE1      LYS  12 -10.684   2.821  -3.385
  128    HE3  LYS  12           HE2      LYS  12 -10.656   1.283  -2.524
  129    HZ1  LYS  12           HZ1      LYS  12 -12.926   2.002  -2.960
  130    HZ2  LYS  12           HZ2      LYS  12 -12.664   1.992  -1.341
  131    HZ3  LYS  12           HZ3      LYS  12 -12.697   3.415  -2.159
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1  11.366  -1.430  -5.768
    2    HA   VAL   1           HA       VAL   1  11.108  -3.229  -3.733
    3    HB   VAL   1           HB       VAL   1  11.566  -1.618  -1.641
    4   HG11  VAL   1          HG21      VAL   1  12.408  -3.857  -1.810
    5   HG12  VAL   1          HG22      VAL   1  13.726  -2.787  -1.312
    6   HG13  VAL   1          HG23      VAL   1  13.643  -3.359  -2.994
    7   HG21  VAL   1          HG11      VAL   1  13.679  -0.427  -1.767
    8   HG22  VAL   1          HG12      VAL   1  12.536   0.277  -2.925
    9   HG23  VAL   1          HG13      VAL   1  13.841  -0.799  -3.487
   10    H    ARG   2           H        ARG   2  10.435  -0.020  -4.795
   11    HA   ARG   2           HA       ARG   2   8.730   1.285  -3.315
   12    HB2  ARG   2           HB1      ARG   2   9.447   2.040  -5.401
   13    HB3  ARG   2           HB2      ARG   2   8.662   0.738  -6.274
   14    HG2  ARG   2           HG1      ARG   2   7.716   3.010  -6.604
   15    HG3  ARG   2           HG2      ARG   2   6.575   1.740  -6.222
   16    HD2  ARG   2           HD1      ARG   2   6.620   2.613  -3.797
   17    HD3  ARG   2           HD2      ARG   2   7.504   4.012  -4.428
   18    HE   ARG   2           HE       ARG   2   5.601   4.402  -5.975
   19   HH11  ARG   2          HH11      ARG   2   4.871   2.804  -2.953
   20   HH12  ARG   2          HH12      ARG   2   3.180   3.053  -3.126
   21   HH21  ARG   2          HH21      ARG   2   3.436   4.374  -6.300
   22   HH22  ARG   2          HH22      ARG   2   2.376   3.630  -5.141
   23    H    ARG   3           H        ARG   3   7.916  -0.312  -1.953
   24    HA   ARG   3           HA       ARG   3   5.046  -0.865  -2.180
   25    HB2  ARG   3           HB1      ARG   3   6.093  -2.772  -3.198
   26    HB3  ARG   3           HB2      ARG   3   7.203  -2.985  -1.854
   27    HG2  ARG   3           HG1      ARG   3   5.545  -3.839  -0.431
   28    HG3  ARG   3           HG2      ARG   3   4.230  -3.563  -1.568
   29    HD2  ARG   3           HD1      ARG   3   6.396  -5.143  -2.834
   30    HD3  ARG   3           HD2      ARG   3   5.967  -5.814  -1.274
   31    HE   ARG   3           HE       ARG   3   4.260  -6.849  -2.213
   32   HH11  ARG   3          HH11      ARG   3   4.522  -4.059  -4.276
   33   HH12  ARG   3          HH12      ARG   3   3.141  -4.531  -5.234
   34   HH21  ARG   3          HH21      ARG   3   2.733  -7.520  -3.615
   35   HH22  ARG   3          HH22      ARG   3   2.148  -6.450  -4.842
   36    H    PHE   4           H        PHE   4   6.395  -2.418   0.551
   37    HA   PHE   4           HA       PHE   4   4.134  -1.305   1.162
   38    HB2  PHE   4           HB1      PHE   4   5.801  -3.210   2.634
   39    HB3  PHE   4           HB2      PHE   4   4.377  -2.671   3.472
   40    HD1  PHE   4           HD2      PHE   4   2.452  -2.318   1.120
   41    HD2  PHE   4           HD1      PHE   4   5.136  -5.500   2.224
   42    HE1  PHE   4           HE2      PHE   4   1.287  -3.824  -0.428
   43    HE2  PHE   4           HE1      PHE   4   3.790  -7.068   0.841
   44    HZ   PHE   4           HZ       PHE   4   1.911  -6.217  -0.554
   45    H    ASP   5           H        ASP   5   4.710   1.424   1.454
   46    HA   ASP   5           HA       ASP   5   2.405   0.825   3.143
   47    HB2  ASP   5           HB1      ASP   5   2.057   3.268   3.241
   48    HB3  ASP   5           HB2      ASP   5   3.617   2.674   3.853
   49    H    LEU   6           H        LEU   6   2.642   0.026   0.148
   50    HA   LEU   6           HA       LEU   6   0.071   1.278  -0.621
   51    HB2  LEU   6           HB1      LEU   6   0.628   1.384  -2.711
   52    HB3  LEU   6           HB2      LEU   6   2.190   1.471  -1.939
   53    HG   LEU   6           HG       LEU   6   2.761   0.229  -3.645
   54   HD11  LEU   6          HD21      LEU   6   1.646  -2.270  -2.403
   55   HD12  LEU   6          HD22      LEU   6   3.193  -1.952  -3.175
   56   HD13  LEU   6          HD23      LEU   6   2.894  -1.316  -1.541
   57   HD21  LEU   6          HD11      LEU   6   1.459  -1.214  -5.049
   58   HD22  LEU   6          HD12      LEU   6   0.596   0.304  -4.793
   59   HD23  LEU   6          HD13      LEU   6   0.087  -1.154  -3.910
   60    H    LEU   7           H        LEU   7   0.357  -1.548   0.910
   61    HA   LEU   7           HA       LEU   7  -2.134  -2.435  -0.442
   62    HB2  LEU   7           HB1      LEU   7  -2.344  -4.284   0.668
   63    HB3  LEU   7           HB2      LEU   7  -0.649  -4.188   0.313
   64    HG   LEU   7           HG       LEU   7  -2.147  -4.244   2.937
   65   HD11  LEU   7          HD21      LEU   7  -0.582  -6.058   3.332
   66   HD12  LEU   7          HD22      LEU   7   0.395  -5.566   1.931
   67   HD13  LEU   7          HD23      LEU   7  -1.241  -6.244   1.706
   68   HD21  LEU   7          HD11      LEU   7  -0.837  -2.689   3.891
   69   HD22  LEU   7          HD12      LEU   7   0.411  -3.934   3.846
   70   HD23  LEU   7          HD13      LEU   7   0.389  -2.705   2.570
   71    H    LYS   8           H        LYS   8  -1.182  -0.799   2.673
   72    HA   LYS   8           HA       LYS   8  -3.845   0.158   3.041
   73    HB2  LYS   8           HB1      LYS   8  -2.856   2.003   4.337
   74    HB3  LYS   8           HB2      LYS   8  -2.625   0.381   4.910
   75    HG2  LYS   8           HG1      LYS   8  -0.424   1.922   3.535
   76    HG3  LYS   8           HG2      LYS   8  -0.779   2.066   5.218
   77    HD2  LYS   8           HD1      LYS   8  -0.450  -0.563   5.277
   78    HD3  LYS   8           HD2      LYS   8   0.499  -0.247   3.800
   79    HE2  LYS   8           HE1      LYS   8   1.709   1.583   5.177
   80    HE3  LYS   8           HE2      LYS   8   0.861   0.959   6.585
   81    HZ1  LYS   8           HZ1      LYS   8   2.011  -1.237   6.085
   82    HZ2  LYS   8           HZ2      LYS   8   2.970  -0.413   5.012
   83    HZ3  LYS   8           HZ3      LYS   8   2.973  -0.012   6.574
   84    H    ARG   9           H        ARG   9  -2.225   0.586   0.277
   85    HA   ARG   9           HA       ARG   9  -4.050   2.812  -0.533
   86    HB2  ARG   9           HB1      ARG   9  -1.593   3.087  -1.004
   87    HB3  ARG   9           HB2      ARG   9  -1.706   1.689  -2.059
   88    HG2  ARG   9           HG1      ARG   9  -1.789   3.287  -3.597
   89    HG3  ARG   9           HG2      ARG   9  -3.522   3.099  -3.346
   90    HD2  ARG   9           HD1      ARG   9  -3.616   5.145  -2.054
   91    HD3  ARG   9           HD2      ARG   9  -1.861   5.233  -1.920
   92    HE   ARG   9           HE       ARG   9  -3.506   5.789  -4.342
   93   HH11  ARG   9          HH11      ARG   9  -0.391   6.130  -2.812
   94   HH12  ARG   9          HH12      ARG   9   0.275   7.018  -4.144
   95   HH21  ARG   9          HH21      ARG   9  -2.553   6.871  -6.063
   96   HH22  ARG   9          HH22      ARG   9  -0.895   7.356  -5.965
   97    H    ILE  10           H        ILE  10  -3.389  -0.692  -1.395
   98    HA   ILE  10           HA       ILE  10  -5.677  -0.760  -3.242
   99    HB   ILE  10           HB       ILE  10  -5.598  -3.019  -3.377
  100   HG12  ILE  10          HG13      ILE  10  -4.314  -3.240  -0.687
  101   HG13  ILE  10          HG12      ILE  10  -5.823  -3.923  -1.282
  102   HG21  ILE  10          HG21      ILE  10  -3.578  -1.835  -4.309
  103   HG22  ILE  10          HG22      ILE  10  -2.660  -2.516  -2.933
  104   HG23  ILE  10          HG23      ILE  10  -3.476  -3.583  -4.100
  105   HD11  ILE  10          HD11      ILE  10  -4.592  -5.473  -2.739
  106   HD12  ILE  10          HD12      ILE  10  -3.044  -4.865  -2.092
  107   HD13  ILE  10          HD13      ILE  10  -4.189  -5.688  -1.025
  108    H    LEU  11           H        LEU  11  -5.342  -0.944   0.231
  109    HA   LEU  11           HA       LEU  11  -8.068  -1.826   0.756
  110    HB2  LEU  11           HB1      LEU  11  -5.992  -2.123   2.191
  111    HB3  LEU  11           HB2      LEU  11  -6.080  -0.425   2.607
  112    HG   LEU  11           HG       LEU  11  -6.891  -1.824   4.379
  113   HD11  LEU  11          HD21      LEU  11  -7.952   0.388   4.066
  114   HD12  LEU  11          HD22      LEU  11  -9.019  -0.796   4.857
  115   HD13  LEU  11          HD23      LEU  11  -9.273  -0.412   3.167
  116   HD21  LEU  11          HD11      LEU  11  -8.765  -3.276   4.306
  117   HD22  LEU  11          HD12      LEU  11  -7.700  -3.757   2.981
  118   HD23  LEU  11          HD13      LEU  11  -9.176  -2.816   2.644
  119    H    LYS  12           H        LYS  12  -6.432   1.227   0.293
  120    HA   LYS  12           HA       LYS  12  -7.081   3.342  -0.088
  121    HB2  LYS  12           HB1      LYS  12  -8.456   3.689  -1.851
  122    HB3  LYS  12           HB2      LYS  12  -8.093   2.003  -2.086
  123    HG2  LYS  12           HG1      LYS  12 -10.578   2.466  -0.510
  124    HG3  LYS  12           HG2      LYS  12 -10.615   3.219  -2.087
  125    HD2  LYS  12           HD1      LYS  12  -9.796   0.312  -1.791
  126    HD3  LYS  12           HD2      LYS  12 -11.486   0.742  -1.702
  127    HE2  LYS  12           HE1      LYS  12  -9.634   1.292  -4.075
  128    HE3  LYS  12           HE2      LYS  12 -10.757  -0.061  -3.926
  129    HZ1  LYS  12           HZ1      LYS  12 -11.774   1.612  -5.241
  130    HZ2  LYS  12           HZ2      LYS  12 -12.578   1.559  -3.818
  131    HZ3  LYS  12           HZ3      LYS  12 -11.531   2.795  -4.126
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1  12.904  -1.596  -1.371
    2    HA   VAL   1           HA       VAL   1  11.734   0.381  -2.875
    3    HB   VAL   1           HB       VAL   1  13.670  -0.849  -3.547
    4   HG11  VAL   1          HG21      VAL   1  12.927  -3.191  -3.109
    5   HG12  VAL   1          HG22      VAL   1  13.648  -2.942  -4.704
    6   HG13  VAL   1          HG23      VAL   1  11.891  -3.099  -4.553
    7   HG21  VAL   1          HG11      VAL   1  13.265  -0.802  -5.941
    8   HG22  VAL   1          HG12      VAL   1  12.451   0.561  -5.153
    9   HG23  VAL   1          HG13      VAL   1  11.516  -0.859  -5.689
   10    H    ARG   2           H        ARG   2   9.693   0.356  -1.775
   11    HA   ARG   2           HA       ARG   2   7.530   0.829  -2.240
   12    HB2  ARG   2           HB1      ARG   2   8.796   1.361  -4.395
   13    HB3  ARG   2           HB2      ARG   2   8.062  -0.079  -5.066
   14    HG2  ARG   2           HG1      ARG   2   6.295   1.119  -5.647
   15    HG3  ARG   2           HG2      ARG   2   5.862   1.320  -3.955
   16    HD2  ARG   2           HD1      ARG   2   6.611   3.456  -3.812
   17    HD3  ARG   2           HD2      ARG   2   7.945   3.226  -4.936
   18    HE   ARG   2           HE       ARG   2   5.296   4.160  -5.580
   19   HH11  ARG   2          HH11      ARG   2   7.954   2.345  -6.958
   20   HH12  ARG   2          HH12      ARG   2   7.586   2.817  -8.589
   21   HH21  ARG   2          HH21      ARG   2   4.904   4.789  -7.715
   22   HH22  ARG   2          HH22      ARG   2   5.894   4.158  -8.994
   23    H    ARG   3           H        ARG   3   7.629  -1.539  -0.994
   24    HA   ARG   3           HA       ARG   3   4.815  -1.249  -1.068
   25    HB2  ARG   3           HB2      ARG   3   3.913  -3.323  -1.152
   26    HB3  ARG   3           HB1      ARG   3   5.029  -3.421  -2.456
   27    HG2  ARG   3           HG1      ARG   3   5.685  -4.592   0.274
   28    HG3  ARG   3           HG2      ARG   3   4.594  -5.397  -0.822
   29    HD2  ARG   3           HD1      ARG   3   6.433  -5.497  -2.517
   30    HD3  ARG   3           HD2      ARG   3   7.543  -4.855  -1.299
   31    HE   ARG   3           HE       ARG   3   6.447  -7.552  -1.500
   32   HH11  ARG   3          HH11      ARG   3   7.785  -5.350   0.878
   33   HH12  ARG   3          HH12      ARG   3   8.118  -6.635   2.007
   34   HH21  ARG   3          HH21      ARG   3   6.911  -9.143   0.002
   35   HH22  ARG   3          HH22      ARG   3   7.607  -8.709   1.526
   36    H    PHE   4           H        PHE   4   5.931  -0.839   2.185
   37    HA   PHE   4           HA       PHE   4   3.291  -1.537   1.162
   38    HB2  PHE   4           HB1      PHE   4   4.798  -2.180   3.607
   39    HB3  PHE   4           HB2      PHE   4   3.177  -1.681   3.957
   40    HD1  PHE   4           HD2      PHE   4   5.200  -4.292   2.390
   41    HD2  PHE   4           HD1      PHE   4   1.229  -2.903   3.284
   42    HE1  PHE   4           HE2      PHE   4   4.269  -6.520   1.757
   43    HE2  PHE   4           HE1      PHE   4   0.304  -5.125   2.675
   44    HZ   PHE   4           HZ       PHE   4   1.822  -6.928   1.895
   45    H    ASP   5           H        ASP   5   3.516   1.076   0.431
   46    HA   ASP   5           HA       ASP   5   1.192   1.830   2.136
   47    HB2  ASP   5           HB1      ASP   5   1.571   4.109   1.532
   48    HB3  ASP   5           HB2      ASP   5   2.978   3.393   2.335
   49    H    LEU   6           H        LEU   6   2.312   2.046  -1.265
   50    HA   LEU   6           HA       LEU   6  -0.166   2.122  -2.513
   51    HB2  LEU   6           HB1      LEU   6   0.762   0.900  -4.462
   52    HB3  LEU   6           HB2      LEU   6   1.674   2.279  -3.938
   53    HG   LEU   6           HG       LEU   6   3.483   0.917  -3.157
   54   HD11  LEU   6          HD21      LEU   6   3.356  -1.624  -3.445
   55   HD12  LEU   6          HD22      LEU   6   2.477  -0.925  -2.082
   56   HD13  LEU   6          HD23      LEU   6   1.603  -1.437  -3.561
   57   HD21  LEU   6          HD11      LEU   6   2.463  -0.331  -5.755
   58   HD22  LEU   6          HD12      LEU   6   4.133  -0.256  -5.200
   59   HD23  LEU   6          HD13      LEU   6   3.298   1.236  -5.645
   60    H    LEU   7           H        LEU   7  -0.171  -0.042  -0.276
   61    HA   LEU   7           HA       LEU   7  -2.362  -1.399  -1.577
   62    HB2  LEU   7           HB1      LEU   7  -1.341  -3.306   0.330
   63    HB3  LEU   7           HB2      LEU   7  -1.885  -3.468  -1.340
   64    HG   LEU   7           HG       LEU   7   0.439  -2.785  -2.111
   65   HD11  LEU   7          HD21      LEU   7   0.777  -2.736   0.886
   66   HD12  LEU   7          HD22      LEU   7   1.507  -1.659  -0.301
   67   HD13  LEU   7          HD23      LEU   7   2.131  -3.297  -0.086
   68   HD21  LEU   7          HD11      LEU   7  -0.300  -5.156  -1.911
   69   HD22  LEU   7          HD12      LEU   7   1.433  -4.936  -1.647
   70   HD23  LEU   7          HD13      LEU   7   0.352  -5.191  -0.256
   71    H    LYS   8           H        LYS   8  -1.160   0.032   1.379
   72    HA   LYS   8           HA       LYS   8  -3.870   0.133   2.548
   73    HB2  LYS   8           HB1      LYS   8  -1.481   1.990   2.969
   74    HB3  LYS   8           HB2      LYS   8  -3.027   2.067   3.806
   75    HG2  LYS   8           HG1      LYS   8  -1.984   0.915   5.401
   76    HG3  LYS   8           HG2      LYS   8  -2.481  -0.459   4.440
   77    HD2  LYS   8           HD1      LYS   8  -0.348  -1.115   4.514
   78    HD3  LYS   8           HD2      LYS   8   0.034   0.142   3.350
   79    HE2  LYS   8           HE1      LYS   8  -0.009   0.603   6.382
   80    HE3  LYS   8           HE2      LYS   8   1.419  -0.009   5.539
   81    HZ1  LYS   8           HZ1      LYS   8   0.158   2.590   4.907
   82    HZ2  LYS   8           HZ2      LYS   8   1.548   1.936   4.250
   83    HZ3  LYS   8           HZ3      LYS   8   1.513   2.381   5.817
   84    H    ARG   9           H        ARG   9  -2.606   1.192  -0.311
   85    HA   ARG   9           HA       ARG   9  -4.670   3.322  -0.677
   86    HB2  ARG   9           HB1      ARG   9  -2.201   3.540  -1.410
   87    HB3  ARG   9           HB2      ARG   9  -2.604   2.390  -2.691
   88    HG2  ARG   9           HG1      ARG   9  -4.308   3.915  -3.592
   89    HG3  ARG   9           HG2      ARG   9  -4.065   5.040  -2.240
   90    HD2  ARG   9           HD1      ARG   9  -1.724   5.379  -2.932
   91    HD3  ARG   9           HD2      ARG   9  -1.952   4.248  -4.287
   92    HE   ARG   9           HE       ARG   9  -3.891   5.956  -4.877
   93   HH11  ARG   9          HH11      ARG   9  -0.611   6.837  -3.922
   94   HH12  ARG   9          HH12      ARG   9  -0.692   8.335  -4.798
   95   HH21  ARG   9          HH21      ARG   9  -3.889   7.867  -5.963
   96   HH22  ARG   9          HH22      ARG   9  -2.495   8.891  -5.930
   97    H    ILE  10           H        ILE  10  -4.254  -0.039  -1.234
   98    HA   ILE  10           HA       ILE  10  -6.394  -0.140  -3.294
   99    HB   ILE  10           HB       ILE  10  -4.681  -2.348  -2.082
  100   HG12  ILE  10          HG13      ILE  10  -3.346  -0.836  -3.477
  101   HG13  ILE  10          HG12      ILE  10  -3.511  -2.407  -4.230
  102   HG21  ILE  10          HG21      ILE  10  -5.582  -3.717  -3.981
  103   HG22  ILE  10          HG22      ILE  10  -6.815  -3.272  -2.798
  104   HG23  ILE  10          HG23      ILE  10  -6.727  -2.409  -4.340
  105   HD11  ILE  10          HD11      ILE  10  -3.676  -0.565  -5.860
  106   HD12  ILE  10          HD12      ILE  10  -5.058   0.118  -4.996
  107   HD13  ILE  10          HD13      ILE  10  -5.199  -1.468  -5.797
  108    H    LEU  11           H        LEU  11  -5.724  -1.293   0.029
  109    HA   LEU  11           HA       LEU  11  -8.362  -2.141   0.520
  110    HB2  LEU  11           HB1      LEU  11  -7.354  -3.087   2.208
  111    HB3  LEU  11           HB2      LEU  11  -5.893  -2.287   1.759
  112    HG   LEU  11           HG       LEU  11  -7.024  -0.347   3.377
  113   HD11  LEU  11          HD21      LEU  11  -8.924  -1.950   3.945
  114   HD12  LEU  11          HD22      LEU  11  -7.733  -3.055   4.620
  115   HD13  LEU  11          HD23      LEU  11  -7.976  -1.446   5.343
  116   HD21  LEU  11          HD11      LEU  11  -5.628  -2.086   5.153
  117   HD22  LEU  11          HD12      LEU  11  -4.806  -2.159   3.597
  118   HD23  LEU  11          HD13      LEU  11  -5.096  -0.592   4.389
  119    H    LYS  12           H        LYS  12  -8.283   0.739  -0.467
  120    HA   LYS  12           HA       LYS  12  -9.684   2.203   1.699
  121    HB2  LYS  12           HB1      LYS  12  -9.400   2.841  -1.278
  122    HB3  LYS  12           HB2      LYS  12 -10.213   3.855  -0.085
  123    HG2  LYS  12           HG1      LYS  12  -7.257   3.248  -0.306
  124    HG3  LYS  12           HG2      LYS  12  -8.092   4.797  -0.448
  125    HD2  LYS  12           HD1      LYS  12  -8.783   4.247   2.101
  126    HD3  LYS  12           HD2      LYS  12  -7.344   3.219   2.018
  127    HE2  LYS  12           HE1      LYS  12  -7.588   6.227   1.654
  128    HE3  LYS  12           HE2      LYS  12  -6.673   5.344   2.890
  129    HZ1  LYS  12           HZ1      LYS  12  -5.232   6.187   1.125
  130    HZ2  LYS  12           HZ2      LYS  12  -5.223   4.519   1.161
  131    HZ3  LYS  12           HZ3      LYS  12  -6.088   5.333   0.003
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1  12.537  -1.638  -2.020
    2    HA   VAL   1           HA       VAL   1  10.702  -0.269  -0.926
    3    HB   VAL   1           HB       VAL   1  12.841   0.504  -1.193
    4   HG11  VAL   1          HG21      VAL   1  13.942   1.335  -3.185
    5   HG12  VAL   1          HG22      VAL   1  12.482   0.998  -4.171
    6   HG13  VAL   1          HG23      VAL   1  13.432  -0.323  -3.451
    7   HG21  VAL   1          HG11      VAL   1  12.769   2.830  -1.692
    8   HG22  VAL   1          HG12      VAL   1  11.254   2.370  -0.886
    9   HG23  VAL   1          HG13      VAL   1  11.282   2.657  -2.654
   10    H    ARG   2           H        ARG   2   9.687  -1.735  -3.549
   11    HA   ARG   2           HA       ARG   2   7.245  -0.034  -3.279
   12    HB2  ARG   2           HB1      ARG   2   8.585  -0.437  -5.792
   13    HB3  ARG   2           HB2      ARG   2   6.992  -1.148  -5.911
   14    HG2  ARG   2           HG1      ARG   2   7.536   1.653  -4.819
   15    HG3  ARG   2           HG2      ARG   2   7.118   1.323  -6.501
   16    HD2  ARG   2           HD1      ARG   2   4.907   0.857  -6.049
   17    HD3  ARG   2           HD2      ARG   2   5.230   0.219  -4.443
   18    HE   ARG   2           HE       ARG   2   5.660   2.619  -3.716
   19   HH11  ARG   2          HH12      ARG   2   3.404   2.109  -6.323
   20   HH12  ARG   2          HH11      ARG   2   2.345   3.364  -5.752
   21   HH21  ARG   2          HH22      ARG   2   4.134   4.000  -2.890
   22   HH22  ARG   2          HH21      ARG   2   2.737   4.375  -3.816
   23    H    ARG   3           H        ARG   3   7.852  -2.500  -1.763
   24    HA   ARG   3           HA       ARG   3   5.019  -2.237  -1.634
   25    HB2  ARG   3           HB1      ARG   3   4.083  -4.305  -1.779
   26    HB3  ARG   3           HB2      ARG   3   5.158  -4.257  -3.092
   27    HG2  ARG   3           HG1      ARG   3   5.680  -5.926  -0.620
   28    HG3  ARG   3           HG2      ARG   3   4.900  -6.452  -2.085
   29    HD2  ARG   3           HD1      ARG   3   7.603  -5.189  -2.447
   30    HD3  ARG   3           HD2      ARG   3   7.528  -6.738  -1.623
   31    HE   ARG   3           HE       ARG   3   6.997  -7.841  -3.520
   32   HH11  ARG   3          HH12      ARG   3   6.596  -4.460  -4.440
   33   HH12  ARG   3          HH11      ARG   3   6.672  -4.861  -6.133
   34   HH21  ARG   3          HH22      ARG   3   6.841  -8.243  -5.662
   35   HH22  ARG   3          HH21      ARG   3   6.754  -6.935  -6.795
   36    H    PHE   4           H        PHE   4   5.757  -0.910   0.450
   37    HA   PHE   4           HA       PHE   4   3.412  -2.078   0.732
   38    HB2  PHE   4           HB1      PHE   4   5.099  -3.274   2.786
   39    HB3  PHE   4           HB2      PHE   4   3.616  -2.791   3.433
   40    HD1  PHE   4           HD1      PHE   4   2.990  -3.848  -0.057
   41    HD2  PHE   4           HD2      PHE   4   3.773  -5.310   3.923
   42    HE1  PHE   4           HE1      PHE   4   2.085  -6.046  -0.669
   43    HE2  PHE   4           HE2      PHE   4   2.676  -7.448   3.333
   44    HZ   PHE   4           HZ       PHE   4   1.846  -7.835   1.025
   45    H    ASP   5           H        ASP   5   4.219   1.033   1.067
   46    HA   ASP   5           HA       ASP   5   1.719   1.542   2.494
   47    HB2  ASP   5           HB1      ASP   5   2.009   3.866   1.676
   48    HB3  ASP   5           HB2      ASP   5   3.476   3.215   2.346
   49    H    LEU   6           H        LEU   6   2.428   0.311  -0.613
   50    HA   LEU   6           HA       LEU   6   0.066   1.368  -1.908
   51    HB2  LEU   6           HB1      LEU   6   0.875   1.070  -3.839
   52    HB3  LEU   6           HB2      LEU   6   2.339   1.164  -2.896
   53    HG   LEU   6           HG       LEU   6   2.781  -0.307  -4.595
   54   HD11  LEU   6          HD21      LEU   6   3.258  -1.199  -2.210
   55   HD12  LEU   6          HD22      LEU   6   2.013  -2.435  -2.620
   56   HD13  LEU   6          HD23      LEU   6   3.430  -2.261  -3.637
   57   HD21  LEU   6          HD11      LEU   6   1.339  -2.305  -5.170
   58   HD22  LEU   6          HD12      LEU   6   0.720  -0.709  -5.614
   59   HD23  LEU   6          HD13      LEU   6   0.060  -1.553  -4.189
   60    H    LEU   7           H        LEU   7   0.361  -1.883  -0.377
   61    HA   LEU   7           HA       LEU   7  -2.511  -2.020  -1.154
   62    HB2  LEU   7           HB1      LEU   7  -1.781  -3.896   0.887
   63    HB3  LEU   7           HB2      LEU   7  -2.769  -4.024  -0.560
   64    HG   LEU   7           HG       LEU   7   0.266  -4.069  -0.657
   65   HD11  LEU   7          HD21      LEU   7  -1.764  -6.343  -0.602
   66   HD12  LEU   7          HD22      LEU   7  -0.002  -6.516  -0.678
   67   HD13  LEU   7          HD23      LEU   7  -0.746  -5.835   0.768
   68   HD21  LEU   7          HD11      LEU   7  -1.688  -5.161  -2.722
   69   HD22  LEU   7          HD12      LEU   7  -1.107  -3.477  -2.805
   70   HD23  LEU   7          HD13      LEU   7   0.035  -4.817  -2.919
   71    H    LYS   8           H        LYS   8  -0.642  -0.584   1.381
   72    HA   LYS   8           HA       LYS   8  -3.056   0.206   2.903
   73    HB2  LYS   8           HB1      LYS   8  -0.172   1.045   3.137
   74    HB3  LYS   8           HB2      LYS   8  -1.433   1.709   4.110
   75    HG2  LYS   8           HG1      LYS   8   0.217  -0.327   4.849
   76    HG3  LYS   8           HG2      LYS   8  -1.270   0.143   5.631
   77    HD2  LYS   8           HD1      LYS   8  -2.457  -1.654   4.281
   78    HD3  LYS   8           HD2      LYS   8  -0.845  -2.210   3.759
   79    HE2  LYS   8           HE1      LYS   8  -0.220  -2.483   6.191
   80    HE3  LYS   8           HE2      LYS   8  -1.846  -1.962   6.644
   81    HZ1  LYS   8           HZ1      LYS   8  -1.826  -4.309   6.699
   82    HZ2  LYS   8           HZ2      LYS   8  -2.673  -3.941   5.348
   83    HZ3  LYS   8           HZ3      LYS   8  -1.113  -4.464   5.238
   84    H    ARG   9           H        ARG   9  -2.338   0.874  -0.071
   85    HA   ARG   9           HA       ARG   9  -3.802   3.487  -0.088
   86    HB2  ARG   9           HB1      ARG   9  -1.624   3.763  -1.129
   87    HB3  ARG   9           HB2      ARG   9  -1.853   2.306  -2.097
   88    HG2  ARG   9           HG1      ARG   9  -3.610   3.403  -3.422
   89    HG3  ARG   9           HG2      ARG   9  -3.413   4.889  -2.469
   90    HD2  ARG   9           HD1      ARG   9  -1.169   5.230  -3.326
   91    HD3  ARG   9           HD2      ARG   9  -1.108   3.593  -3.967
   92    HE   ARG   9           HE       ARG   9  -2.391   4.166  -5.814
   93   HH11  ARG   9          HH11      ARG   9  -2.180   7.055  -3.821
   94   HH12  ARG   9          HH12      ARG   9  -2.615   8.088  -5.149
   95   HH21  ARG   9          HH21      ARG   9  -2.986   5.559  -7.434
   96   HH22  ARG   9          HH22      ARG   9  -3.051   7.259  -7.123
   97    H    ILE  10           H        ILE  10  -3.786   0.132  -1.364
   98    HA   ILE  10           HA       ILE  10  -6.226   0.476  -2.905
   99    HB   ILE  10           HB       ILE  10  -4.880  -1.984  -1.764
  100   HG12  ILE  10          HG12      ILE  10  -5.143  -1.302  -4.726
  101   HG13  ILE  10          HG13      ILE  10  -3.850  -0.593  -3.760
  102   HG21  ILE  10          HG21      ILE  10  -6.329  -3.399  -3.114
  103   HG22  ILE  10          HG22      ILE  10  -7.177  -1.994  -3.789
  104   HG23  ILE  10          HG23      ILE  10  -7.362  -2.420  -2.080
  105   HD11  ILE  10          HD11      ILE  10  -2.859  -2.512  -4.684
  106   HD12  ILE  10          HD12      ILE  10  -3.294  -3.017  -3.035
  107   HD13  ILE  10          HD13      ILE  10  -4.301  -3.516  -4.405
  108    H    LEU  11           H        LEU  11  -5.676  -0.758   0.460
  109    HA   LEU  11           HA       LEU  11  -8.466  -1.236   0.875
  110    HB2  LEU  11           HB1      LEU  11  -7.810  -2.285   2.728
  111    HB3  LEU  11           HB2      LEU  11  -6.226  -2.113   2.039
  112    HG   LEU  11           HG       LEU  11  -6.410   0.230   3.564
  113   HD11  LEU  11          HD21      LEU  11  -8.558  -0.510   4.619
  114   HD12  LEU  11          HD22      LEU  11  -7.240  -0.482   5.796
  115   HD13  LEU  11          HD23      LEU  11  -7.792  -2.025   5.112
  116   HD21  LEU  11          HD11      LEU  11  -4.554  -1.374   3.446
  117   HD22  LEU  11          HD12      LEU  11  -5.448  -2.473   4.525
  118   HD23  LEU  11          HD13      LEU  11  -4.935  -0.867   5.112
  119    H    LYS  12           H        LYS  12  -6.769   1.713   1.132
  120    HA   LYS  12           HA       LYS  12  -9.218   3.101   1.582
  121    HB2  LYS  12           HB1      LYS  12  -9.044   4.152   3.535
  122    HB3  LYS  12           HB2      LYS  12  -8.269   2.668   4.023
  123    HG2  LYS  12           HG1      LYS  12  -6.833   5.256   3.250
  124    HG3  LYS  12           HG2      LYS  12  -7.288   4.833   4.873
  125    HD2  LYS  12           HD1      LYS  12  -5.659   3.184   5.115
  126    HD3  LYS  12           HD2      LYS  12  -5.413   2.996   3.361
  127    HE2  LYS  12           HE1      LYS  12  -4.197   4.942   3.128
  128    HE3  LYS  12           HE2      LYS  12  -4.957   5.735   4.515
  129    HZ1  LYS  12           HZ1      LYS  12  -2.650   5.202   4.931
  130    HZ2  LYS  12           HZ2      LYS  12  -3.599   4.375   5.979
  131    HZ3  LYS  12           HZ3      LYS  12  -2.910   3.608   4.670
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1  11.691  -1.574  -4.550
    2    HA   VAL   1           HA       VAL   1  11.151   0.979  -3.942
    3    HB   VAL   1           HB       VAL   1  12.679   0.064  -5.650
    4   HG11  VAL   1          HG21      VAL   1  12.051  -0.104  -7.964
    5   HG12  VAL   1          HG22      VAL   1  11.059  -1.211  -7.011
    6   HG13  VAL   1          HG23      VAL   1  10.354   0.316  -7.608
    7   HG21  VAL   1          HG11      VAL   1  12.487   2.452  -5.301
    8   HG22  VAL   1          HG12      VAL   1  11.188   2.547  -6.539
    9   HG23  VAL   1          HG13      VAL   1  12.831   2.037  -6.988
   10    H    ARG   2           H        ARG   2   9.099  -0.313  -3.254
   11    HA   ARG   2           HA       ARG   2   6.804   0.351  -2.739
   12    HB2  ARG   2           HB1      ARG   2   6.484   0.782  -5.719
   13    HB3  ARG   2           HB2      ARG   2   5.184   0.588  -4.596
   14    HG2  ARG   2           HG1      ARG   2   6.010   2.918  -5.495
   15    HG3  ARG   2           HG2      ARG   2   5.112   2.699  -4.015
   16    HD2  ARG   2           HD1      ARG   2   6.757   3.476  -2.698
   17    HD3  ARG   2           HD2      ARG   2   8.025   2.637  -3.565
   18    HE   ARG   2           HE       ARG   2   6.794   5.097  -4.716
   19   HH11  ARG   2          HH12      ARG   2   9.684   3.478  -3.631
   20   HH12  ARG   2          HH11      ARG   2  10.743   4.737  -4.208
   21   HH21  ARG   2          HH22      ARG   2   8.215   6.657  -5.499
   22   HH22  ARG   2          HH21      ARG   2   9.920   6.470  -5.235
   23    H    ARG   3           H        ARG   3   7.526  -1.853  -2.095
   24    HA   ARG   3           HA       ARG   3   4.838  -1.674  -2.147
   25    HB2  ARG   3           HB1      ARG   3   3.839  -3.777  -2.384
   26    HB3  ARG   3           HB2      ARG   3   4.754  -3.527  -3.801
   27    HG2  ARG   3           HG1      ARG   3   5.408  -5.469  -1.542
   28    HG3  ARG   3           HG2      ARG   3   4.667  -5.835  -3.080
   29    HD2  ARG   3           HD1      ARG   3   7.493  -4.783  -2.753
   30    HD3  ARG   3           HD2      ARG   3   7.027  -6.479  -2.943
   31    HE   ARG   3           HE       ARG   3   6.351  -4.399  -5.007
   32   HH11  ARG   3          HH12      ARG   3   7.921  -7.485  -4.350
   33   HH12  ARG   3          HH11      ARG   3   8.052  -7.869  -6.039
   34   HH21  ARG   3          HH22      ARG   3   6.494  -5.013  -7.132
   35   HH22  ARG   3          HH21      ARG   3   7.262  -6.510  -7.560
   36    H    PHE   4           H        PHE   4   5.355  -0.794   0.026
   37    HA   PHE   4           HA       PHE   4   3.258  -2.129   0.530
   38    HB2  PHE   4           HB1      PHE   4   5.176  -3.514   2.302
   39    HB3  PHE   4           HB2      PHE   4   3.619  -3.234   2.964
   40    HD1  PHE   4           HD1      PHE   4   2.992  -3.786  -0.542
   41    HD2  PHE   4           HD2      PHE   4   3.883  -5.753   3.179
   42    HE1  PHE   4           HE1      PHE   4   2.265  -5.930  -1.506
   43    HE2  PHE   4           HE2      PHE   4   2.935  -7.855   2.268
   44    HZ   PHE   4           HZ       PHE   4   2.161  -7.960  -0.091
   45    H    ASP   5           H        ASP   5   3.986   0.771   0.830
   46    HA   ASP   5           HA       ASP   5   1.355   0.701   2.328
   47    HB2  ASP   5           HB1      ASP   5   1.533   2.900   2.900
   48    HB3  ASP   5           HB2      ASP   5   3.177   2.346   3.218
   49    H    LEU   6           H        LEU   6   1.736  -0.366  -0.239
   50    HA   LEU   6           HA       LEU   6  -0.355   1.372  -1.523
   51    HB2  LEU   6           HB1      LEU   6  -0.018   0.029  -3.624
   52    HB3  LEU   6           HB2      LEU   6   0.908   1.477  -3.247
   53    HG   LEU   6           HG       LEU   6   2.892   0.205  -2.723
   54   HD11  LEU   6          HD21      LEU   6   2.386  -1.809  -1.715
   55   HD12  LEU   6          HD22      LEU   6   2.580  -2.373  -3.411
   56   HD13  LEU   6          HD23      LEU   6   0.968  -2.116  -2.747
   57   HD21  LEU   6          HD11      LEU   6   2.441   0.703  -5.108
   58   HD22  LEU   6          HD12      LEU   6   1.556  -0.840  -5.270
   59   HD23  LEU   6          HD13      LEU   6   3.303  -0.841  -4.920
   60    H    LEU   7           H        LEU   7   0.209  -2.043  -0.401
   61    HA   LEU   7           HA       LEU   7  -2.730  -2.320  -0.786
   62    HB2  LEU   7           HB1      LEU   7  -1.459  -4.220   1.019
   63    HB3  LEU   7           HB2      LEU   7  -2.684  -4.409  -0.250
   64    HG   LEU   7           HG       LEU   7   0.323  -4.186  -0.652
   65   HD11  LEU   7          HD21      LEU   7  -1.644  -6.497  -0.966
   66   HD12  LEU   7          HD22      LEU   7  -0.526  -6.255   0.398
   67   HD13  LEU   7          HD23      LEU   7   0.110  -6.567  -1.221
   68   HD21  LEU   7          HD11      LEU   7  -1.657  -4.994  -2.806
   69   HD22  LEU   7          HD12      LEU   7   0.054  -4.577  -2.948
   70   HD23  LEU   7          HD13      LEU   7  -1.139  -3.298  -2.639
   71    H    LYS   8           H        LYS   8  -0.803  -0.817   1.616
   72    HA   LYS   8           HA       LYS   8  -3.277  -0.292   3.196
   73    HB2  LYS   8           HB1      LYS   8  -0.724   1.201   3.649
   74    HB3  LYS   8           HB2      LYS   8  -2.088   0.956   4.715
   75    HG2  LYS   8           HG1      LYS   8   0.229  -0.824   4.119
   76    HG3  LYS   8           HG2      LYS   8  -0.375  -0.277   5.657
   77    HD2  LYS   8           HD1      LYS   8  -1.330  -2.615   3.965
   78    HD3  LYS   8           HD2      LYS   8  -0.487  -2.618   5.482
   79    HE2  LYS   8           HE1      LYS   8  -2.483  -3.316   6.157
   80    HE3  LYS   8           HE2      LYS   8  -2.615  -1.608   6.555
   81    HZ1  LYS   8           HZ1      LYS   8  -4.535  -2.771   5.350
   82    HZ2  LYS   8           HZ2      LYS   8  -4.089  -1.314   4.743
   83    HZ3  LYS   8           HZ3      LYS   8  -3.627  -2.704   3.982
   84    H    ARG   9           H        ARG   9  -2.623   0.355   0.230
   85    HA   ARG   9           HA       ARG   9  -4.636   2.531   0.372
   86    HB2  ARG   9           HB1      ARG   9  -2.570   2.309  -1.880
   87    HB3  ARG   9           HB2      ARG   9  -3.872   3.492  -1.720
   88    HG2  ARG   9           HG1      ARG   9  -2.910   4.218   0.479
   89    HG3  ARG   9           HG2      ARG   9  -1.552   3.183   0.203
   90    HD2  ARG   9           HD1      ARG   9  -0.474   4.664  -1.065
   91    HD3  ARG   9           HD2      ARG   9  -1.913   5.000  -2.059
   92    HE   ARG   9           HE       ARG   9  -1.557   6.096   0.715
   93   HH11  ARG   9          HH11      ARG   9  -1.605   7.008  -2.636
   94   HH12  ARG   9          HH12      ARG   9  -2.231   8.597  -2.303
   95   HH21  ARG   9          HH21      ARG   9  -2.462   8.095   1.080
   96   HH22  ARG   9          HH22      ARG   9  -2.718   9.193  -0.246
   97    H    ILE  10           H        ILE  10  -4.459  -0.621  -0.034
   98    HA   ILE  10           HA       ILE  10  -6.770  -0.573  -1.943
   99    HB   ILE  10           HB       ILE  10  -5.042  -2.923  -1.166
  100   HG12  ILE  10          HG13      ILE  10  -5.839  -1.665  -3.855
  101   HG13  ILE  10          HG12      ILE  10  -4.340  -1.289  -3.002
  102   HG21  ILE  10          HG21      ILE  10  -6.613  -4.266  -2.602
  103   HG22  ILE  10          HG22      ILE  10  -7.378  -3.723  -1.114
  104   HG23  ILE  10          HG23      ILE  10  -7.739  -2.896  -2.646
  105   HD11  ILE  10          HD11      ILE  10  -3.812  -2.776  -4.747
  106   HD12  ILE  10          HD12      ILE  10  -3.639  -3.685  -3.226
  107   HD13  ILE  10          HD13      ILE  10  -5.060  -3.945  -4.276
  108    H    LEU  11           H        LEU  11  -5.777  -1.630   1.330
  109    HA   LEU  11           HA       LEU  11  -8.502  -0.717   2.286
  110    HB2  LEU  11           HB1      LEU  11  -6.064  -1.907   3.581
  111    HB3  LEU  11           HB2      LEU  11  -7.053  -0.822   4.540
  112    HG   LEU  11           HG       LEU  11  -7.535  -3.249   4.833
  113   HD11  LEU  11          HD21      LEU  11  -9.199  -1.592   5.513
  114   HD12  LEU  11          HD22      LEU  11  -9.881  -1.548   3.872
  115   HD13  LEU  11          HD23      LEU  11  -9.989  -3.025   4.845
  116   HD21  LEU  11          HD11      LEU  11  -8.791  -4.480   3.180
  117   HD22  LEU  11          HD12      LEU  11  -8.876  -3.069   2.116
  118   HD23  LEU  11          HD13      LEU  11  -7.309  -3.871   2.413
  119    H    LYS  12           H        LYS  12  -8.348   1.205   1.076
  120    HA   LYS  12           HA       LYS  12  -6.512   3.396   1.451
  121    HB2  LYS  12           HB1      LYS  12  -9.532   3.325   0.936
  122    HB3  LYS  12           HB2      LYS  12  -8.579   4.800   0.979
  123    HG2  LYS  12           HG1      LYS  12  -8.311   4.609  -1.197
  124    HG3  LYS  12           HG2      LYS  12  -7.155   3.323  -0.881
  125    HD2  LYS  12           HD1      LYS  12  -8.953   1.632  -1.168
  126    HD3  LYS  12           HD2      LYS  12 -10.161   2.931  -1.297
  127    HE2  LYS  12           HE1      LYS  12  -8.771   3.811  -3.281
  128    HE3  LYS  12           HE2      LYS  12  -7.925   2.258  -3.248
  129    HZ1  LYS  12           HZ1      LYS  12  -9.827   2.283  -4.796
  130    HZ2  LYS  12           HZ2      LYS  12 -10.072   1.166  -3.613
  131    HZ3  LYS  12           HZ3      LYS  12 -10.866   2.602  -3.570
  Start of MODEL   21
    1    H1   VAL   1           H        VAL   1  11.702  -1.862  -6.122
    2    HA   VAL   1           HA       VAL   1  11.006  -2.918  -3.755
    3    HB   VAL   1           HB       VAL   1  12.886  -1.887  -2.719
    4   HG11  VAL   1          HG21      VAL   1  12.945   0.336  -3.873
    5   HG12  VAL   1          HG22      VAL   1  11.626   0.904  -2.823
    6   HG13  VAL   1          HG23      VAL   1  13.139   0.382  -2.116
    7   HG21  VAL   1          HG11      VAL   1  11.821  -1.988  -0.781
    8   HG22  VAL   1          HG12      VAL   1  10.821  -0.560  -1.107
    9   HG23  VAL   1          HG13      VAL   1  10.314  -2.168  -1.684
   10    H    ARG   2           H        ARG   2  10.271   0.325  -3.306
   11    HA   ARG   2           HA       ARG   2   8.270   1.299  -3.032
   12    HB2  ARG   2           HB1      ARG   2   9.117   1.622  -5.505
   13    HB3  ARG   2           HB2      ARG   2   7.707   0.679  -5.956
   14    HG2  ARG   2           HG1      ARG   2   7.500   3.178  -6.065
   15    HG3  ARG   2           HG2      ARG   2   6.231   2.405  -5.099
   16    HD2  ARG   2           HD1      ARG   2   7.098   3.209  -3.067
   17    HD3  ARG   2           HD2      ARG   2   8.731   3.393  -3.730
   18    HE   ARG   2           HE       ARG   2   8.273   5.493  -4.468
   19   HH11  ARG   2          HH12      ARG   2   5.256   4.197  -3.260
   20   HH12  ARG   2          HH11      ARG   2   4.439   5.719  -3.446
   21   HH21  ARG   2          HH22      ARG   2   7.180   7.386  -4.658
   22   HH22  ARG   2          HH21      ARG   2   5.487   7.467  -4.291
   23    H    ARG   3           H        ARG   3   8.195  -1.150  -2.074
   24    HA   ARG   3           HA       ARG   3   5.285  -1.637  -2.339
   25    HB2  ARG   3           HB1      ARG   3   7.377  -3.539  -2.498
   26    HB3  ARG   3           HB2      ARG   3   6.547  -3.930  -1.015
   27    HG2  ARG   3           HG1      ARG   3   4.564  -4.444  -2.119
   28    HG3  ARG   3           HG2      ARG   3   4.862  -3.293  -3.425
   29    HD2  ARG   3           HD1      ARG   3   4.627  -5.551  -4.143
   30    HD3  ARG   3           HD2      ARG   3   5.953  -4.554  -4.768
   31    HE   ARG   3           HE       ARG   3   7.358  -5.871  -2.986
   32   HH11  ARG   3          HH12      ARG   3   5.110  -7.160  -5.359
   33   HH12  ARG   3          HH11      ARG   3   5.870  -8.725  -5.330
   34   HH21  ARG   3          HH22      ARG   3   8.239  -7.907  -3.012
   35   HH22  ARG   3          HH21      ARG   3   7.570  -9.120  -4.068
   36    H    PHE   4           H        PHE   4   5.728  -3.028   0.517
   37    HA   PHE   4           HA       PHE   4   3.331  -1.874   0.856
   38    HB2  PHE   4           HB1      PHE   4   5.072  -3.582   2.569
   39    HB3  PHE   4           HB2      PHE   4   3.500  -3.139   3.156
   40    HD1  PHE   4           HD2      PHE   4   2.963  -3.524  -0.357
   41    HD2  PHE   4           HD1      PHE   4   3.729  -5.726   3.277
   42    HE1  PHE   4           HE2      PHE   4   2.125  -5.587  -1.407
   43    HE2  PHE   4           HE1      PHE   4   2.815  -7.765   2.212
   44    HZ   PHE   4           HZ       PHE   4   2.051  -7.706  -0.145
   45    H    ASP   5           H        ASP   5   4.232   0.910   1.137
   46    HA   ASP   5           HA       ASP   5   1.903   0.817   3.015
   47    HB2  ASP   5           HB1      ASP   5   1.707   3.168   2.770
   48    HB3  ASP   5           HB2      ASP   5   3.295   2.739   3.335
   49    H    LEU   6           H        LEU   6   2.528   0.018  -0.137
   50    HA   LEU   6           HA       LEU   6   0.093   1.204  -1.231
   51    HB2  LEU   6           HB1      LEU   6   0.964   1.051  -3.216
   52    HB3  LEU   6           HB2      LEU   6   2.442   0.877  -2.289
   53    HG   LEU   6           HG       LEU   6   2.752  -0.546  -3.996
   54   HD11  LEU   6          HD21      LEU   6   1.460  -2.524  -2.118
   55   HD12  LEU   6          HD22      LEU   6   2.764  -2.758  -3.282
   56   HD13  LEU   6          HD23      LEU   6   3.028  -1.770  -1.820
   57   HD21  LEU   6          HD11      LEU   6   1.152  -2.110  -4.999
   58   HD22  LEU   6          HD12      LEU   6   0.584  -0.444  -5.100
   59   HD23  LEU   6          HD13      LEU   6  -0.113  -1.549  -3.886
   60    H    LEU   7           H        LEU   7   0.388  -1.817   0.289
   61    HA   LEU   7           HA       LEU   7  -2.393  -2.526  -0.650
   62    HB2  LEU   7           HB1      LEU   7  -0.359  -3.841   1.128
   63    HB3  LEU   7           HB2      LEU   7  -2.071  -4.055   1.524
   64    HG   LEU   7           HG       LEU   7  -2.586  -5.030  -0.614
   65   HD11  LEU   7          HD21      LEU   7  -1.211  -3.914  -2.222
   66   HD12  LEU   7          HD22      LEU   7   0.276  -4.321  -1.355
   67   HD13  LEU   7          HD23      LEU   7  -0.655  -5.587  -2.198
   68   HD21  LEU   7          HD11      LEU   7  -1.734  -6.495   1.137
   69   HD22  LEU   7          HD12      LEU   7  -0.063  -6.131   0.678
   70   HD23  LEU   7          HD13      LEU   7  -1.113  -7.055  -0.417
   71    H    LYS   8           H        LYS   8  -0.606  -0.779   1.782
   72    HA   LYS   8           HA       LYS   8  -3.041   0.072   3.175
   73    HB2  LYS   8           HB1      LYS   8  -0.163   0.955   3.453
   74    HB3  LYS   8           HB2      LYS   8  -1.469   1.598   4.379
   75    HG2  LYS   8           HG1      LYS   8   0.209  -0.507   5.064
   76    HG3  LYS   8           HG2      LYS   8  -1.231   0.006   5.905
   77    HD2  LYS   8           HD1      LYS   8  -2.541  -1.717   4.586
   78    HD3  LYS   8           HD2      LYS   8  -0.984  -2.308   3.951
   79    HE2  LYS   8           HE1      LYS   8  -0.226  -2.766   6.279
   80    HE3  LYS   8           HE2      LYS   8  -1.781  -2.194   6.891
   81    HZ1  LYS   8           HZ1      LYS   8  -1.816  -4.573   6.747
   82    HZ2  LYS   8           HZ2      LYS   8  -2.840  -4.011   5.602
   83    HZ3  LYS   8           HZ3      LYS   8  -1.354  -4.584   5.179
   84    H    ARG   9           H        ARG   9  -1.849   0.668   0.144
   85    HA   ARG   9           HA       ARG   9  -3.562   3.079  -0.121
   86    HB2  ARG   9           HB1      ARG   9  -1.387   3.101  -1.311
   87    HB3  ARG   9           HB2      ARG   9  -1.905   1.741  -2.293
   88    HG2  ARG   9           HG1      ARG   9  -3.124   2.994  -3.684
   89    HG3  ARG   9           HG2      ARG   9  -3.874   3.926  -2.390
   90    HD2  ARG   9           HD1      ARG   9  -1.081   4.407  -3.520
   91    HD3  ARG   9           HD2      ARG   9  -2.532   5.319  -3.940
   92    HE   ARG   9           HE       ARG   9  -2.664   6.144  -1.614
   93   HH11  ARG   9          HH12      ARG   9   0.468   4.911  -2.537
   94   HH12  ARG   9          HH11      ARG   9   1.196   5.505  -1.058
   95   HH21  ARG   9          HH22      ARG   9  -1.601   6.902   0.235
   96   HH22  ARG   9          HH21      ARG   9   0.110   6.674   0.306
   97    H    ILE  10           H        ILE  10  -3.561  -0.399  -1.169
   98    HA   ILE  10           HA       ILE  10  -6.084  -0.078  -2.501
   99    HB   ILE  10           HB       ILE  10  -4.910  -2.648  -1.408
  100   HG12  ILE  10          HG13      ILE  10  -4.905  -1.579  -4.280
  101   HG13  ILE  10          HG12      ILE  10  -3.558  -1.329  -3.185
  102   HG21  ILE  10          HG21      ILE  10  -6.425  -3.744  -3.071
  103   HG22  ILE  10          HG22      ILE  10  -7.368  -2.861  -1.876
  104   HG23  ILE  10          HG23      ILE  10  -7.120  -2.170  -3.485
  105   HD11  ILE  10          HD11      ILE  10  -2.923  -3.166  -4.472
  106   HD12  ILE  10          HD12      ILE  10  -4.500  -3.955  -4.342
  107   HD13  ILE  10          HD13      ILE  10  -3.429  -3.876  -2.925
  108    H    LEU  11           H        LEU  11  -5.451  -0.620   0.971
  109    HA   LEU  11           HA       LEU  11  -8.186  -0.960   1.679
  110    HB2  LEU  11           HB1      LEU  11  -7.336  -1.303   3.662
  111    HB3  LEU  11           HB2      LEU  11  -5.758  -1.010   3.016
  112    HG   LEU  11           HG       LEU  11  -6.711   1.591   3.791
  113   HD11  LEU  11          HD21      LEU  11  -8.518   0.413   5.069
  114   HD12  LEU  11          HD22      LEU  11  -7.393   1.306   6.091
  115   HD13  LEU  11          HD23      LEU  11  -7.259  -0.464   5.974
  116   HD21  LEU  11          HD11      LEU  11  -5.114   1.255   5.732
  117   HD22  LEU  11          HD12      LEU  11  -4.494   1.187   4.104
  118   HD23  LEU  11          HD13      LEU  11  -4.753  -0.336   5.023
  119    H    LYS  12           H        LYS  12  -6.906   1.849   0.352
  120    HA   LYS  12           HA       LYS  12  -7.243   3.832   2.183
  121    HB2  LYS  12           HB1      LYS  12  -7.192   5.438   0.352
  122    HB3  LYS  12           HB2      LYS  12  -6.114   4.097   0.013
  123    HG2  LYS  12           HG1      LYS  12  -8.169   3.128  -1.373
  124    HG3  LYS  12           HG2      LYS  12  -8.811   4.759  -1.208
  125    HD2  LYS  12           HD1      LYS  12  -6.416   5.429  -2.229
  126    HD3  LYS  12           HD2      LYS  12  -6.515   3.761  -2.855
  127    HE2  LYS  12           HE1      LYS  12  -8.815   4.244  -3.702
  128    HE3  LYS  12           HE2      LYS  12  -8.669   5.901  -3.103
  129    HZ1  LYS  12           HZ1      LYS  12  -8.227   5.852  -5.425
  130    HZ2  LYS  12           HZ2      LYS  12  -6.809   6.201  -4.685
  131    HZ3  LYS  12           HZ3      LYS  12  -7.083   4.686  -5.298