*HEADER    ANTIMICROBIAL PROTEIN                   13-JUN-18   6GS9              
*TITLE     NMR STRUCTURE OF AUREIN 2.5 IN SDS MICELLES                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AUREIN 2.5;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LITORIA AUREA;                                  
*SOURCE   4 ORGANISM_COMMON: GREEN AND GOLDEN BELL FROG;                         
*SOURCE   5 ORGANISM_TAXID: 8371                                                 
*KEYWDS    AMP, AUREIN 2.5, ANTIMICROBIAL PROTEIN, SDS MICELLE                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.MANZO,J.A.MASON                                                     
*REVDAT   1   18-JUL-18 6GS9    0                                                
# Restraints file 1: noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

   1  1    2 LEU  HN      A    3 PHE   HN     A    0.000   3.750 100.0 1.0 1.0
   2  1    1 GLY  HA1     A    2 LEU   HN     A    0.000   3.110 100.0 1.0 1.0
   2  1    1 GLY  HA2     A    2 LEU   HN     A    0.000   3.110 100.0 1.0 1.0
   4  1    3 PHE  HN      A    6 VAL   HN     A    0.000   5.390 100.0 1.0 1.0
   5  1    2 LEU  HD2     A    3 PHE   HN     A    0.000   5.340 100.0 1.0 1.0
   6  1    3 PHE  HN      A    4 ASP   HN     A    0.000   2.270 100.0 1.0 1.0
   7  1    1 GLY  HA1     A    3 PHE   HN     A    0.000   3.200 100.0 1.0 1.0
   7  1    1 GLY  HA2     A    3 PHE   HN     A    0.000   3.200 100.0 1.0 1.0
   8  1    2 LEU  HA      A    3 PHE   HN     A    0.000   4.110 100.0 1.0 1.0
   9  1    2 LEU  HB1     A    3 PHE   HN     A    0.000   4.040 100.0 1.0 1.0
   9  1    2 LEU  HB2     A    3 PHE   HN     A    0.000   4.040 100.0 1.0 1.0
  10  1    2 LEU  HG      A    3 PHE   HN     A    0.000   3.630 100.0 1.0 1.0
  11  1    9 VAL  HN      A   10 VAL   HN     A    0.000   3.380 100.0 1.0 1.0
  12  1   10 VAL  HN      A   12 ALA   HN     A    0.000   4.910 100.0 1.0 1.0
  13  1    9 VAL  HA      A   10 VAL   HN     A    0.000   4.100 100.0 1.0 1.0
  14  1    6 VAL  HA      A   10 VAL   HN     A    0.000   4.470 100.0 1.0 1.0
  15  1    9 VAL  HB      A   10 VAL   HN     A    0.000   3.250 100.0 1.0 1.0
  16  1    8 LYS  HB1     A   10 VAL   HN     A    0.000   5.500 100.0 1.0 1.0
  16  1    8 LYS  HB2     A   10 VAL   HN     A    0.000   5.500 100.0 1.0 1.0
  17  1    6 VAL  HG1     A   10 VAL   HN     A    0.000   4.590 100.0 1.0 1.0
  17  2    6 VAL  HG2     A   10 VAL   HN     A    0.000   4.590 100.0 1.0 1.0
  18  1    8 LYS  HA      A   10 VAL   HN     A    0.000   5.190 100.0 1.0 1.0
  19  1   13 PHE  HN      A   14 GLY   HN     A    0.000   3.890 100.0 1.0 1.0
  20  1   14 GLY  HN      A   15 SER   HN     A    0.000   3.840 100.0 1.0 1.0
  21  1   13 PHE  HA      A   14 GLY   HN     A    0.000   3.490 100.0 1.0 1.0
  22  1   12 ALA  HA      A   14 GLY   HN     A    0.000   5.400 100.0 1.0 1.0
  23  1   10 VAL  HA      A   14 GLY   HN     A    0.000   5.500 100.0 1.0 1.0
  24  1   13 PHE  HB1     A   14 GLY   HN     A    0.000   4.150 100.0 1.0 1.0
  24  2   13 PHE  HB2     A   14 GLY   HN     A    0.000   4.150 100.0 1.0 1.0
  25  1   12 ALA  HB1     A   14 GLY   HN     A    0.000   5.500 100.0 1.0 1.0
  25  1   12 ALA  HB2     A   14 GLY   HN     A    0.000   5.500 100.0 1.0 1.0
  25  1   12 ALA  HB3     A   14 GLY   HN     A    0.000   5.500 100.0 1.0 1.0
  26  1    8 LYS  HG1     A    9 VAL   HN     A    0.000   5.500 100.0 1.0 1.0
  26  1    8 LYS  HG2     A    9 VAL   HN     A    0.000   5.500 100.0 1.0 1.0
  27  1    8 LYS  HN      A    9 VAL   HN     A    0.000   3.120 100.0 1.0 1.0
  28  1    8 LYS  HA      A    9 VAL   HN     A    0.000   3.900 100.0 1.0 1.0
  29  1    6 VAL  HA      A    9 VAL   HN     A    0.000   3.710 100.0 1.0 1.0
  30  1    8 LYS  HB1     A    9 VAL   HN     A    0.000   3.700 100.0 1.0 1.0
  30  1    8 LYS  HB2     A    9 VAL   HN     A    0.000   3.700 100.0 1.0 1.0
  31  1    7 LYS  HB1     A    9 VAL   HN     A    0.000   5.460 100.0 1.0 1.0
  31  2    7 LYS  HB2     A    9 VAL   HN     A    0.000   5.460 100.0 1.0 1.0
  32  1    3 PHE  HN      A    6 VAL   HN     A    0.000   5.010 100.0 1.0 1.0
  33  1   10 VAL  HN      A   11 GLY   HN     A    0.000   3.920 100.0 1.0 1.0
  34  1   11 GLY  HN      A   12 ALA   HN     A    0.000   3.790 100.0 1.0 1.0
  35  1    5 ILE  HN      A    6 VAL   HN     A    0.000   3.290 100.0 1.0 1.0
  36  1    3 PHE  HA      A    6 VAL   HN     A    0.000   3.760 100.0 1.0 1.0
  37  1    2 LEU  HA      A    6 VAL   HN     A    0.000   4.250 100.0 1.0 1.0
  38  1    5 ILE  HA      A    6 VAL   HN     A    0.000   4.040 100.0 1.0 1.0
  39  1   10 VAL  HA      A   11 GLY   HN     A    0.000   3.890 100.0 1.0 1.0
  40  1    5 ILE  HB      A    6 VAL   HN     A    0.000   3.080 100.0 1.0 1.0
  41  1    9 VAL  HA      A   11 GLY   HN     A    0.000   5.500 100.0 1.0 1.0
  42  1    7 LYS  HN      A    7 LYS   HN     A    0.000   3.550 100.0 1.0 1.0
  43  1    6 VAL  HA      A    7 LYS   HN     A    0.000   4.040 100.0 1.0 1.0
  44  1    6 VAL  HB      A    7 LYS   HN     A    0.000   3.200 100.0 1.0 1.0
  45  1   10 VAL  HB      A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  46  1   13 PHE  HN      A   14 GLY   HN     A    0.000   3.740 100.0 1.0 1.0
  47  1   12 ALA  HN      A   13 PHE   HN     A    0.000   3.270 100.0 1.0 1.0
  48  1   12 ALA  HA      A   13 PHE   HN     A    0.000   3.910 100.0 1.0 1.0
  49  1   12 ALA  HB1     A   13 PHE   HN     A    0.000   3.670 100.0 1.0 1.0
  49  1   12 ALA  HB2     A   13 PHE   HN     A    0.000   3.670 100.0 1.0 1.0
  49  1   12 ALA  HB3     A   13 PHE   HN     A    0.000   3.670 100.0 1.0 1.0
  50  1   15 SER  HN      A   16 LEU   HN     A    0.000   3.740 100.0 1.0 1.0
  51  1   14 GLY  HA1     A   15 SER   HN     A    0.000   3.610 100.0 1.0 1.0
  51  1   14 GLY  HA2     A   15 SER   HN     A    0.000   3.610 100.0 1.0 1.0
  52  1   14 GLY  HN      A   15 SER   HN     A    0.000   3.870 100.0 1.0 1.0
  53  1   13 PHE  HA      A   15 SER   HN     A    0.000   4.940 100.0 1.0 1.0
  54  1   10 VAL  HN      A   12 ALA   HN     A    0.000   4.940 100.0 1.0 1.0
  55  1   11 GLY  HN      A   12 ALA   HN     A    0.000   3.640 100.0 1.0 1.0
  56  1   12 ALA  HN      A   13 PHE   HN     A    0.000   3.370 100.0 1.0 1.0
  57  1    8 LYS  HA      A   12 ALA   HN     A    0.000   5.020 100.0 1.0 1.0
  58  1   11 GLY  HA1     A   12 ALA   HN     A    0.000   3.960 100.0 1.0 1.0
  58  2   11 GLY  HA2     A   12 ALA   HN     A    0.000   3.960 100.0 1.0 1.0
  59  1   11 GLY  HA1     A   12 ALA   HN     A    0.000   3.690 100.0 1.0 1.0
  59  2   11 GLY  HA2     A   12 ALA   HN     A    0.000   3.690 100.0 1.0 1.0
  60  1    9 VAL  HA      A   12 ALA   HN     A    0.000   3.940 100.0 1.0 1.0
  61  1   10 VAL  HA      A   12 ALA   HN     A    0.000   4.630 100.0 1.0 1.0
  62  1   14 GLY  HA1     A   16 LEU   HN     A    0.000   5.050 100.0 1.0 1.0
  62  1   14 GLY  HA2     A   16 LEU   HN     A    0.000   5.050 100.0 1.0 1.0
  63  1   15 SER  HN      A   16 LEU   HN     A    0.000   3.680 100.0 1.0 1.0
  64  1   15 SER  HA      A   16 LEU   HN     A    0.000   3.780 100.0 1.0 1.0
  65  1   15 SER  HB1     A   16 LEU   HN     A    0.000   4.340 100.0 1.0 1.0
  65  1   15 SER  HB2     A   16 LEU   HN     A    0.000   4.340 100.0 1.0 1.0
  66  1    3 PHE  HB1     A    4 ASP   HN     A    0.000   3.930 100.0 1.0 1.0
  66  2    3 PHE  HB2     A    4 ASP   HN     A    0.000   3.930 100.0 1.0 1.0
  67  1    5 ILE  HN      A    6 VAL   HN     A    0.000   3.340 100.0 1.0 1.0
  68  1    2 LEU  HA      A    5 ILE   HN     A    0.000   4.120 100.0 1.0 1.0
  69  1    8 LYS  HN      A   10 VAL   HN     A    0.000   5.060 100.0 1.0 1.0
  70  1    8 LYS  HN      A    9 VAL   HN     A    0.000   3.420 100.0 1.0 1.0
  71  1    5 ILE  HA      A    8 LYS   HN     A    0.000   3.830 100.0 1.0 1.0
  72  1    6 VAL  HA      A    8 LYS   HN     A    0.000   4.830 100.0 1.0 1.0
  73  1    7 LYS  HB1     A    8 LYS   HN     A    0.000   3.900 100.0 1.0 1.0
  73  2    7 LYS  HB2     A    8 LYS   HN     A    0.000   3.900 100.0 1.0 1.0
  74  1    3 PHE  HA      A    6 VAL   HB     A    0.000   4.850 100.0 1.0 1.0
  75  1   12 ALA  HA      A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  76  1    1 GLY  HA1     A    2 LEU   HN     A    0.000   3.900 100.0 1.0 1.0
  76  1    1 GLY  HA2     A    2 LEU   HN     A    0.000   3.900 100.0 1.0 1.0
  77  1    8 LYS  HA      A    9 VAL   HN     A    0.000   5.050 100.0 1.0 1.0
  78  1    2 LEU  HA      A    3 PHE   HN     A    0.000   4.720 100.0 1.0 1.0
  79  1    2 LEU  HA      A    5 ILE   HN     A    0.000   4.930 100.0 1.0 1.0
  80  1    2 LEU  HA      A    5 ILE   HB     A    0.000   4.090 100.0 1.0 1.0
  81  1   14 GLY  HA1     A   15 SER   HN     A    0.000   4.100 100.0 1.0 1.0
  81  1   14 GLY  HA2     A   15 SER   HN     A    0.000   4.100 100.0 1.0 1.0
  82  1   11 GLY  HA1     A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  82  2   11 GLY  HA2     A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  83  1   11 GLY  HA1     A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  83  2   11 GLY  HA2     A   13 PHE   HN     A    0.000   5.500 100.0 1.0 1.0
  84  1   11 GLY  HA1     A   12 ALA   HN     A    0.000   4.590 100.0 1.0 1.0
  84  2   11 GLY  HA2     A   12 ALA   HN     A    0.000   4.590 100.0 1.0 1.0
  85  1   11 GLY  HA1     A   12 ALA   HN     A    0.000   4.350 100.0 1.0 1.0
  85  2   11 GLY  HA2     A   12 ALA   HN     A    0.000   4.350 100.0 1.0 1.0
  86  1    7 LYS  HA      A   10 VAL   HN     A    0.000   4.440 100.0 1.0 1.0
  87  1    7 LYS  HA      A    8 LYS   HN     A    0.000   4.600 100.0 1.0 1.0
  88  1    5 ILE  HA      A    6 VAL   HN     A    0.000   4.700 100.0 1.0 1.0
  89  1    4 ASP  HA      A    5 ILE   HA     A    0.000   5.230 100.0 1.0 1.0
  90  1    5 ILE  HA      A    8 LYS   HB1    A    0.000   4.260 100.0 1.0 1.0
  90  1    5 ILE  HA      A    8 LYS   HB2    A    0.000   4.260 100.0 1.0 1.0
  91  1    5 ILE  HA      A    8 LYS   HN     A    0.000   4.250 100.0 1.0 1.0
  92  1    9 VAL  HA      A   10 VAL   HN     A    0.000   4.520 100.0 1.0 1.0
  93  1    6 VAL  HA      A    9 VAL   HA     A    0.000   5.500 100.0 1.0 1.0
  94  1    9 VAL  HA      A   12 ALA   HN     A    0.000   4.550 100.0 1.0 1.0
  95  1    8 LYS  HA      A    9 VAL   HA     A    0.000   5.500 100.0 1.0 1.0
  96  1   10 VAL  HA      A   14 GLY   HN     A    0.000   5.480 100.0 1.0 1.0
  97  1   10 VAL  HA      A   11 GLY   HN     A    0.000   4.220 100.0 1.0 1.0
  98  1   10 VAL  HA      A   13 PHE   HN     A    0.000   4.630 100.0 1.0 1.0
  99  1   10 VAL  HA      A   12 ALA   HN     A    0.000   5.030 100.0 1.0 1.0
 100  1    5 ILE  HA      A    6 VAL   HA     A    0.000   5.330 100.0 1.0 1.0
 101  1    6 VAL  HA      A    8 LYS   HB1    A    0.000   5.500 100.0 1.0 1.0
 101  1    6 VAL  HA      A    8 LYS   HB2    A    0.000   5.500 100.0 1.0 1.0
 102  1    6 VAL  HA      A    8 LYS   HN     A    0.000   5.030 100.0 1.0 1.0
 103  1    3 PHE  HA      A    6 VAL   HA     A    0.000   5.450 100.0 1.0 1.0
 104  1    6 VAL  HA      A    9 VAL   HB     A    0.000   3.670 100.0 1.0 1.0
 105  1    6 VAL  HA      A   10 VAL   HN     A    0.000   4.790 100.0 1.0 1.0
 106  1    3 PHE  HB1     A    4 ASP   HN     A    0.000   4.170 100.0 1.0 1.0
 106  2    3 PHE  HB2     A    4 ASP   HN     A    0.000   4.170 100.0 1.0 1.0
 107  1   13 PHE  HB1     A   15 SER   HN     A    0.000   5.220 100.0 1.0 1.0
 107  2   13 PHE  HB2     A   15 SER   HN     A    0.000   5.220 100.0 1.0 1.0
 108  1   13 PHE  HB1     A   14 GLY   HN     A    0.000   4.460 100.0 1.0 1.0
 108  2   13 PHE  HB2     A   14 GLY   HN     A    0.000   4.460 100.0 1.0 1.0
 109  1    9 VAL  HB      A   10 VAL   HN     A    0.000   3.510 100.0 1.0 1.0
 110  1    7 LYS  HA      A    9 VAL   HB     A    0.000   5.500 100.0 1.0 1.0
 111  1    3 PHE  HA      A    6 VAL   HB     A    0.000   3.510 100.0 1.0 1.0
 112  1    5 ILE  HB      A    6 VAL   HN     A    0.000   3.250 100.0 1.0 1.0
 113  1    2 LEU  HA      A    5 ILE   HB     A    0.000   3.580 100.0 1.0 1.0
 114  1    8 LYS  HB1     A    9 VAL   HN     A    0.000   3.990 100.0 1.0 1.0
 114  1    8 LYS  HB2     A    9 VAL   HN     A    0.000   3.990 100.0 1.0 1.0
 115  1    5 ILE  HA      A    8 LYS   HB1    A    0.000   3.980 100.0 1.0 1.0
 115  1    5 ILE  HA      A    8 LYS   HB2    A    0.000   3.980 100.0 1.0 1.0
 116  1   13 PHE  HA      A   16 LEU   HB1    A    0.000   4.370 100.0 1.0 1.0
 116  1   13 PHE  HA      A   16 LEU   HB2    A    0.000   4.370 100.0 1.0 1.0
 117  1    2 LEU  HB1     A    3 PHE   HN     A    0.000   4.250 100.0 1.0 1.0
 117  1    2 LEU  HB2     A    3 PHE   HN     A    0.000   4.250 100.0 1.0 1.0
 118  1    7 LYS  HB1     A    8 LYS   HN     A    0.000   4.170 100.0 1.0 1.0
 118  2    7 LYS  HB2     A    8 LYS   HN     A    0.000   4.170 100.0 1.0 1.0
 119  1   12 ALA  HB1     A   13 PHE   HN     A    0.000   3.980 100.0 1.0 1.0
 119  1   12 ALA  HB2     A   13 PHE   HN     A    0.000   3.980 100.0 1.0 1.0
 119  1   12 ALA  HB3     A   13 PHE   HN     A    0.000   3.980 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  42.240   2.497   2.349
    2    H2   GLY   1           HT2      GLY   1  41.734   1.802   0.883
    3    H3   GLY   1           HT3      GLY   1  41.254   1.119   2.364
    4    HA2  GLY   1           HA1      GLY   1  39.484   2.341   2.396
    5    HA3  GLY   1           HA2      GLY   1  40.507   3.772   2.388
    6    H    LEU   2           HN       LEU   2  38.010   2.406   0.880
    7    HA   LEU   2           HA       LEU   2  38.173   4.121  -1.390
    8    HB2  LEU   2           HB2      LEU   2  38.355   2.533  -3.161
    9    HB3  LEU   2           HB1      LEU   2  39.687   2.198  -2.061
   10    HG   LEU   2           HG       LEU   2  37.075   0.668  -2.285
   11   HD11  LEU   2          HD11      LEU   2  39.958  -0.188  -2.665
   12   HD12  LEU   2          HD12      LEU   2  38.848   0.206  -3.978
   13   HD13  LEU   2          HD13      LEU   2  38.525  -1.180  -2.936
   14   HD21  LEU   2          HD21      LEU   2  38.251  -0.837  -0.539
   15   HD22  LEU   2          HD22      LEU   2  37.543   0.662   0.050
   16   HD23  LEU   2          HD23      LEU   2  39.284   0.555  -0.214
   17    H    PHE   3           HN       PHE   3  36.581   2.408   0.862
   18    HA   PHE   3           HA       PHE   3  33.988   2.503  -0.602
   19    HB2  PHE   3           HB2      PHE   3  34.725   0.187  -0.051
   20    HB3  PHE   3           HB1      PHE   3  34.762   0.634   1.655
   21    HD1  PHE   3           HD1      PHE   3  32.565   0.219  -1.321
   22    HD2  PHE   3           HD2      PHE   3  32.727   0.864   2.944
   23    HE1  PHE   3           HE1      PHE   3  30.116  -0.214  -1.162
   24    HE2  PHE   3           HE2      PHE   3  30.279   0.430   3.103
   25    HZ   PHE   3           HZ       PHE   3  28.966  -0.067   1.044
   26    H    ASP   4           HN       ASP   4  35.695   2.963   2.460
   27    HA   ASP   4           HA       ASP   4  33.407   4.051   3.832
   28    HB2  ASP   4           HB2      ASP   4  35.025   4.611   5.596
   29    HB3  ASP   4           HB1      ASP   4  35.232   2.943   5.059
   30    H    ILE   5           HN       ILE   5  36.098   5.309   1.965
   31    HA   ILE   5           HA       ILE   5  35.717   8.054   2.704
   32    HB   ILE   5           HB       ILE   5  37.047   7.050   0.171
   33   HG12  ILE   5          HG12      ILE   5  38.206   7.318   2.967
   34   HG13  ILE   5          HG11      ILE   5  37.941   5.805   2.103
   35   HG21  ILE   5          HG21      ILE   5  37.730   9.443   1.901
   36   HG22  ILE   5          HG22      ILE   5  36.578   9.542   0.570
   37   HG23  ILE   5          HG23      ILE   5  38.254   9.110   0.250
   38   HD11  ILE   5           HD1      ILE   5  39.928   7.993   1.481
   39   HD12  ILE   5           HD2      ILE   5  39.455   6.814   0.258
   40   HD13  ILE   5           HD3      ILE   5  40.234   6.278   1.746
   41    H    VAL   6           HN       VAL   6  34.636   5.994   0.039
   42    HA   VAL   6           HA       VAL   6  33.560   7.823  -1.709
   43    HB   VAL   6           HB       VAL   6  32.281   5.199  -0.884
   44   HG11  VAL   6          HG11      VAL   6  30.700   6.479  -2.159
   45   HG12  VAL   6          HG12      VAL   6  31.421   5.322  -3.278
   46   HG13  VAL   6          HG13      VAL   6  31.946   7.006  -3.292
   47   HG21  VAL   6          HG21      VAL   6  34.163   5.768  -3.192
   48   HG22  VAL   6          HG22      VAL   6  33.597   4.194  -2.631
   49   HG23  VAL   6          HG23      VAL   6  34.710   5.136  -1.640
   50    H    LYS   7           HN       LYS   7  32.396   6.934   1.457
   51    HA   LYS   7           HA       LYS   7  29.742   7.864   1.256
   52    HB2  LYS   7           HB2      LYS   7  31.625   7.680   3.616
   53    HB3  LYS   7           HB1      LYS   7  29.923   8.119   3.762
   54    HG2  LYS   7           HG2      LYS   7  29.293   5.981   2.674
   55    HG3  LYS   7           HG1      LYS   7  30.998   5.537   2.590
   56    HD2  LYS   7           HD2      LYS   7  31.185   5.544   5.003
   57    HD3  LYS   7           HD1      LYS   7  29.552   6.190   5.172
   58    HE2  LYS   7           HE2      LYS   7  29.835   3.654   5.510
   59    HE3  LYS   7           HE1      LYS   7  28.557   4.173   4.410
   60    HZ1  LYS   7           HZ1      LYS   7  31.291   3.447   3.522
   61    HZ2  LYS   7           HZ2      LYS   7  29.929   3.724   2.546
   62    HZ3  LYS   7           HZ3      LYS   7  29.995   2.354   3.548
   63    H    LYS   8           HN       LYS   8  32.652   9.508   2.509
   64    HA   LYS   8           HA       LYS   8  31.539  11.975   3.095
   65    HB2  LYS   8           HB2      LYS   8  33.872  11.315   3.622
   66    HB3  LYS   8           HB1      LYS   8  34.281  11.479   1.915
   67    HG2  LYS   8           HG2      LYS   8  33.834  13.832   1.934
   68    HG3  LYS   8           HG1      LYS   8  33.064  13.742   3.518
   69    HD2  LYS   8           HD2      LYS   8  35.302  14.647   3.795
   70    HD3  LYS   8           HD1      LYS   8  35.255  13.031   4.496
   71    HE2  LYS   8           HE2      LYS   8  36.435  12.083   2.664
   72    HE3  LYS   8           HE1      LYS   8  36.157  13.495   1.644
   73    HZ1  LYS   8           HZ1      LYS   8  37.480  14.768   3.342
   74    HZ2  LYS   8           HZ2      LYS   8  38.357  13.657   2.401
   75    HZ3  LYS   8           HZ3      LYS   8  37.933  13.272   4.001
   76    H    VAL   9           HN       VAL   9  32.800  10.803  -0.013
   77    HA   VAL   9           HA       VAL   9  32.630  13.116  -1.522
   78    HB   VAL   9           HB       VAL   9  31.806  10.384  -2.542
   79   HG11  VAL   9          HG11      VAL   9  31.442  12.224  -4.110
   80   HG12  VAL   9          HG12      VAL   9  32.819  11.262  -4.644
   81   HG13  VAL   9          HG13      VAL   9  33.084  12.810  -3.841
   82   HG21  VAL   9          HG21      VAL   9  34.244  10.113  -3.061
   83   HG22  VAL   9          HG22      VAL   9  33.912  10.151  -1.329
   84   HG23  VAL   9          HG23      VAL   9  34.568  11.577  -2.133
   85    H    VAL  10           HN       VAL  10  30.127  10.582  -1.701
   86    HA   VAL  10           HA       VAL  10  28.157  12.260  -2.803
   87    HB   VAL  10           HB       VAL  10  26.536  10.494  -2.109
   88   HG11  VAL  10          HG11      VAL  10  27.792  10.212  -4.186
   89   HG12  VAL  10          HG12      VAL  10  27.623   8.649  -3.388
   90   HG13  VAL  10          HG13      VAL  10  29.153   9.523  -3.300
   91   HG21  VAL  10          HG21      VAL  10  27.492   9.893   0.048
   92   HG22  VAL  10          HG22      VAL  10  28.991   9.373  -0.721
   93   HG23  VAL  10          HG23      VAL  10  27.502   8.465  -0.987
   94    H    GLY  11           HN       GLY  11  29.378  12.076   0.365
   95    HA2  GLY  11           HA1      GLY  11  27.071  12.775   1.852
   96    HA3  GLY  11           HA2      GLY  11  28.738  13.001   2.364
   97    H    ALA  12           HN       ALA  12  29.443  14.656   0.075
   98    HA   ALA  12           HA       ALA  12  29.000  17.193   1.108
   99    HB1  ALA  12           HB1      ALA  12  29.421  16.527  -1.808
  100    HB2  ALA  12           HB2      ALA  12  30.709  16.581  -0.604
  101    HB3  ALA  12           HB3      ALA  12  29.808  18.045  -0.997
  102    H    PHE  13           HN       PHE  13  27.427  15.845  -1.805
  103    HA   PHE  13           HA       PHE  13  25.413  17.894  -1.831
  104    HB2  PHE  13           HB2      PHE  13  25.401  15.257  -3.313
  105    HB3  PHE  13           HB1      PHE  13  24.508  16.722  -3.726
  106    HD1  PHE  13           HD1      PHE  13  25.669  18.718  -4.614
  107    HD2  PHE  13           HD2      PHE  13  27.794  15.060  -3.756
  108    HE1  PHE  13           HE1      PHE  13  27.616  19.539  -5.935
  109    HE2  PHE  13           HE2      PHE  13  29.741  15.881  -5.077
  110    HZ   PHE  13           HZ       PHE  13  29.662  18.132  -6.145
  111    H    GLY  14           HN       GLY  14  25.760  15.877   0.496
  112    HA2  GLY  14           HA1      GLY  14  23.429  14.283   0.606
  113    HA3  GLY  14           HA2      GLY  14  24.412  14.769   1.981
  114    H    SER  15           HN       SER  15  23.608  17.549   0.452
  115    HA   SER  15           HA       SER  15  20.897  17.907   1.316
  116    HB2  SER  15           HB2      SER  15  21.278  19.427   3.148
  117    HB3  SER  15           HB1      SER  15  22.138  17.931   3.498
  118    HG   SER  15           HG       SER  15  23.287  20.220   2.266
  119    H    LEU  16           HN       LEU  16  23.376  18.574  -0.630
  120    HA   LEU  16           HA       LEU  16  23.895  20.225  -2.135
  121    HB2  LEU  16           HB2      LEU  16  21.707  19.744  -3.010
  122    HB3  LEU  16           HB1      LEU  16  20.929  20.685  -1.742
  123    HG   LEU  16           HG       LEU  16  21.781  22.756  -2.648
  124   HD11  LEU  16          HD11      LEU  16  23.442  20.938  -4.409
  125   HD12  LEU  16          HD12      LEU  16  23.993  22.237  -3.349
  126   HD13  LEU  16          HD13      LEU  16  23.142  22.622  -4.842
  127   HD21  LEU  16          HD21      LEU  16  19.777  21.835  -3.742
  128   HD22  LEU  16          HD22      LEU  16  20.794  20.952  -4.880
  129   HD23  LEU  16          HD23      LEU  16  20.767  22.715  -4.907
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  39.144  -0.319   2.355
    2    H2   GLY   1           HT2      GLY   1  37.675  -0.776   1.631
    3    H3   GLY   1           HT3      GLY   1  38.078  -1.346   3.181
    4    HA2  GLY   1           HA1      GLY   1  36.540   0.308   3.535
    5    HA3  GLY   1           HA2      GLY   1  38.110   0.998   3.919
    6    H    LEU   2           HN       LEU   2  38.053   0.594   0.656
    7    HA   LEU   2           HA       LEU   2  38.109   3.287   0.014
    8    HB2  LEU   2           HB2      LEU   2  38.006   2.644  -2.272
    9    HB3  LEU   2           HB1      LEU   2  38.845   1.344  -1.437
   10    HG   LEU   2           HG       LEU   2  35.934   1.351  -2.311
   11   HD11  LEU   2          HD11      LEU   2  37.666   0.965  -4.066
   12   HD12  LEU   2          HD12      LEU   2  36.636  -0.440  -3.795
   13   HD13  LEU   2          HD13      LEU   2  38.268  -0.400  -3.126
   14   HD21  LEU   2          HD21      LEU   2  36.096  -1.096  -1.501
   15   HD22  LEU   2          HD22      LEU   2  35.965   0.136  -0.251
   16   HD23  LEU   2          HD23      LEU   2  37.532  -0.587  -0.612
   17    H    PHE   3           HN       PHE   3  35.446   1.548   1.059
   18    HA   PHE   3           HA       PHE   3  33.445   3.065  -0.440
   19    HB2  PHE   3           HB2      PHE   3  33.158   0.634   0.230
   20    HB3  PHE   3           HB1      PHE   3  33.010   1.189   1.897
   21    HD1  PHE   3           HD1      PHE   3  31.481   1.310  -1.487
   22    HD2  PHE   3           HD2      PHE   3  31.018   2.338   2.680
   23    HE1  PHE   3           HE1      PHE   3  29.081   1.845  -1.885
   24    HE2  PHE   3           HE2      PHE   3  28.617   2.873   2.281
   25    HZ   PHE   3           HZ       PHE   3  27.630   2.542   0.016
   26    H    ASP   4           HN       ASP   4  34.916   2.965   2.750
   27    HA   ASP   4           HA       ASP   4  33.119   4.712   4.068
   28    HB2  ASP   4           HB2      ASP   4  36.062   4.207   4.576
   29    HB3  ASP   4           HB1      ASP   4  34.968   5.038   5.682
   30    H    ILE   5           HN       ILE   5  35.892   5.236   1.989
   31    HA   ILE   5           HA       ILE   5  36.108   8.057   2.517
   32    HB   ILE   5           HB       ILE   5  37.152   6.607   0.066
   33   HG12  ILE   5          HG12      ILE   5  38.373   6.815   2.840
   34   HG13  ILE   5          HG11      ILE   5  37.827   5.335   2.052
   35   HG21  ILE   5          HG21      ILE   5  38.352   8.925   1.605
   36   HG22  ILE   5          HG22      ILE   5  37.210   9.165   0.282
   37   HG23  ILE   5          HG23      ILE   5  38.755   8.374  -0.022
   38   HD11  ILE   5           HD1      ILE   5  40.188   7.076   1.332
   39   HD12  ILE   5           HD2      ILE   5  39.498   5.942   0.169
   40   HD13  ILE   5           HD3      ILE   5  40.168   5.351   1.691
   41    H    VAL   6           HN       VAL   6  35.006   6.173  -0.317
   42    HA   VAL   6           HA       VAL   6  34.041   8.300  -1.833
   43    HB   VAL   6           HB       VAL   6  32.973   5.463  -1.686
   44   HG11  VAL   6          HG11      VAL   6  32.495   7.721  -3.647
   45   HG12  VAL   6          HG12      VAL   6  31.290   6.798  -2.749
   46   HG13  VAL   6          HG13      VAL   6  32.194   6.031  -4.054
   47   HG21  VAL   6          HG21      VAL   6  35.421   5.837  -2.304
   48   HG22  VAL   6          HG22      VAL   6  34.842   6.719  -3.717
   49   HG23  VAL   6          HG23      VAL   6  34.454   5.009  -3.523
   50    H    LYS   7           HN       LYS   7  32.843   6.990   1.089
   51    HA   LYS   7           HA       LYS   7  30.088   7.677   0.796
   52    HB2  LYS   7           HB2      LYS   7  31.024   6.061   2.489
   53    HB3  LYS   7           HB1      LYS   7  31.658   7.450   3.371
   54    HG2  LYS   7           HG2      LYS   7  29.388   8.372   3.585
   55    HG3  LYS   7           HG1      LYS   7  28.741   7.007   2.676
   56    HD2  LYS   7           HD2      LYS   7  29.733   5.485   4.439
   57    HD3  LYS   7           HD1      LYS   7  30.094   6.930   5.384
   58    HE2  LYS   7           HE2      LYS   7  27.721   7.533   5.424
   59    HE3  LYS   7           HE1      LYS   7  27.331   6.145   4.408
   60    HZ1  LYS   7           HZ1      LYS   7  28.575   4.870   6.301
   61    HZ2  LYS   7           HZ2      LYS   7  26.936   5.289   6.469
   62    HZ3  LYS   7           HZ3      LYS   7  28.137   6.223   7.225
   63    H    LYS   8           HN       LYS   8  32.948   9.365   1.966
   64    HA   LYS   8           HA       LYS   8  31.577  11.612   3.061
   65    HB2  LYS   8           HB2      LYS   8  33.877  11.072   3.705
   66    HB3  LYS   8           HB1      LYS   8  34.419  11.347   2.048
   67    HG2  LYS   8           HG2      LYS   8  33.920  13.680   2.164
   68    HG3  LYS   8           HG1      LYS   8  32.999  13.485   3.655
   69    HD2  LYS   8           HD2      LYS   8  35.210  14.432   4.146
   70    HD3  LYS   8           HD1      LYS   8  35.073  12.816   4.837
   71    HE2  LYS   8           HE2      LYS   8  36.442  11.857   3.152
   72    HE3  LYS   8           HE1      LYS   8  36.273  13.261   2.096
   73    HZ1  LYS   8           HZ1      LYS   8  37.305  14.211   4.470
   74    HZ2  LYS   8           HZ2      LYS   8  38.127  14.032   2.993
   75    HZ3  LYS   8           HZ3      LYS   8  38.168  12.787   4.149
   76    H    VAL   9           HN       VAL   9  32.788  10.793  -0.135
   77    HA   VAL   9           HA       VAL   9  32.639  13.358  -1.304
   78    HB   VAL   9           HB       VAL   9  32.178  10.702  -2.694
   79   HG11  VAL   9          HG11      VAL   9  31.594  12.591  -4.093
   80   HG12  VAL   9          HG12      VAL   9  33.160  11.981  -4.629
   81   HG13  VAL   9          HG13      VAL   9  33.072  13.440  -3.640
   82   HG21  VAL   9          HG21      VAL   9  34.275  10.679  -1.393
   83   HG22  VAL   9          HG22      VAL   9  34.754  12.209  -2.129
   84   HG23  VAL   9          HG23      VAL   9  34.617  10.757  -3.121
   85    H    VAL  10           HN       VAL  10  30.329  10.640  -1.541
   86    HA   VAL  10           HA       VAL  10  28.290  12.187  -2.772
   87    HB   VAL  10           HB       VAL  10  26.797  10.289  -2.231
   88   HG11  VAL  10          HG11      VAL  10  28.252  10.107  -4.191
   89   HG12  VAL  10          HG12      VAL  10  28.110   8.533  -3.411
   90   HG13  VAL  10          HG13      VAL  10  29.566   9.501  -3.185
   91   HG21  VAL  10          HG21      VAL  10  27.560   9.720  -0.012
   92   HG22  VAL  10          HG22      VAL  10  29.191   9.396  -0.598
   93   HG23  VAL  10          HG23      VAL  10  27.865   8.321  -1.042
   94    H    GLY  11           HN       GLY  11  29.380  11.951   0.458
   95    HA2  GLY  11           HA1      GLY  11  26.927  12.551   1.787
   96    HA3  GLY  11           HA2      GLY  11  28.542  12.682   2.469
   97    H    ALA  12           HN       ALA  12  29.193  14.431   0.021
   98    HA   ALA  12           HA       ALA  12  28.836  16.931   1.313
   99    HB1  ALA  12           HB1      ALA  12  29.496  16.412  -1.588
  100    HB2  ALA  12           HB2      ALA  12  30.674  16.405  -0.276
  101    HB3  ALA  12           HB3      ALA  12  29.812  17.890  -0.681
  102    H    PHE  13           HN       PHE  13  27.301  15.515  -1.576
  103    HA   PHE  13           HA       PHE  13  25.478  17.699  -1.922
  104    HB2  PHE  13           HB2      PHE  13  25.502  14.889  -3.045
  105    HB3  PHE  13           HB1      PHE  13  24.357  16.140  -3.530
  106    HD1  PHE  13           HD1      PHE  13  27.888  15.055  -3.615
  107    HD2  PHE  13           HD2      PHE  13  25.074  18.096  -4.823
  108    HE1  PHE  13           HE1      PHE  13  29.569  15.979  -5.205
  109    HE2  PHE  13           HE2      PHE  13  26.755  19.021  -6.413
  110    HZ   PHE  13           HZ       PHE  13  29.013  17.979  -6.584
  111    H    GLY  14           HN       GLY  14  25.555  14.936   0.103
  112    HA2  GLY  14           HA1      GLY  14  22.782  14.470   0.410
  113    HA3  GLY  14           HA2      GLY  14  24.039  14.004   1.549
  114    H    SER  15           HN       SER  15  24.380  17.242   1.029
  115    HA   SER  15           HA       SER  15  22.286  18.325   2.629
  116    HB2  SER  15           HB2      SER  15  23.502  18.773   4.673
  117    HB3  SER  15           HB1      SER  15  23.536  17.038   4.369
  118    HG   SER  15           HG       SER  15  25.582  18.566   4.771
  119    H    LEU  16           HN       LEU  16  22.368  19.779   0.845
  120    HA   LEU  16           HA       LEU  16  23.982  22.083   1.324
  121    HB2  LEU  16           HB2      LEU  16  25.736  20.854   0.240
  122    HB3  LEU  16           HB1      LEU  16  24.657  20.324  -1.045
  123    HG   LEU  16           HG       LEU  16  24.505  22.558  -1.948
  124   HD11  LEU  16          HD11      LEU  16  25.921  23.354   0.608
  125   HD12  LEU  16          HD12      LEU  16  24.393  23.962  -0.031
  126   HD13  LEU  16          HD13      LEU  16  25.909  24.403  -0.812
  127   HD21  LEU  16          HD21      LEU  16  26.548  21.232  -2.488
  128   HD22  LEU  16          HD22      LEU  16  27.385  22.026  -1.155
  129   HD23  LEU  16          HD23      LEU  16  26.841  22.970  -2.541
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  39.645   2.613   2.985
    2    H2   GLY   1           HT2      GLY   1  39.943   1.066   3.621
    3    H3   GLY   1           HT3      GLY   1  38.750   2.059   4.313
    4    HA2  GLY   1           HA1      GLY   1  38.659   0.383   1.994
    5    HA3  GLY   1           HA2      GLY   1  37.379   0.862   3.102
    6    H    LEU   2           HN       LEU   2  38.299   1.064  -0.003
    7    HA   LEU   2           HA       LEU   2  38.039   3.729  -0.755
    8    HB2  LEU   2           HB2      LEU   2  37.630   2.958  -2.963
    9    HB3  LEU   2           HB1      LEU   2  38.693   1.766  -2.226
   10    HG   LEU   2           HG       LEU   2  35.689   1.522  -2.619
   11   HD11  LEU   2          HD11      LEU   2  37.061   1.148  -4.629
   12   HD12  LEU   2          HD12      LEU   2  36.339  -0.361  -4.069
   13   HD13  LEU   2          HD13      LEU   2  38.040  -0.024  -3.747
   14   HD21  LEU   2          HD21      LEU   2  36.147   0.433  -0.536
   15   HD22  LEU   2          HD22      LEU   2  37.678  -0.213  -1.125
   16   HD23  LEU   2          HD23      LEU   2  36.155  -0.854  -1.737
   17    H    PHE   3           HN       PHE   3  35.772   1.887   0.845
   18    HA   PHE   3           HA       PHE   3  33.408   3.135  -0.357
   19    HB2  PHE   3           HB2      PHE   3  33.243   0.797   0.329
   20    HB3  PHE   3           HB1      PHE   3  33.720   1.221   1.974
   21    HD1  PHE   3           HD1      PHE   3  31.102   1.821  -0.637
   22    HD2  PHE   3           HD2      PHE   3  32.103   1.993   3.559
   23    HE1  PHE   3           HE1      PHE   3  28.726   2.333  -0.090
   24    HE2  PHE   3           HE2      PHE   3  29.726   2.504   4.105
   25    HZ   PHE   3           HZ       PHE   3  28.060   2.771   2.270
   26    H    ASP   4           HN       ASP   4  35.299   3.208   2.630
   27    HA   ASP   4           HA       ASP   4  33.645   4.924   4.119
   28    HB2  ASP   4           HB2      ASP   4  36.666   4.850   4.230
   29    HB3  ASP   4           HB1      ASP   4  35.553   5.299   5.524
   30    H    ILE   5           HN       ILE   5  36.059   5.553   1.644
   31    HA   ILE   5           HA       ILE   5  36.142   8.394   2.045
   32    HB   ILE   5           HB       ILE   5  36.877   6.932  -0.506
   33   HG12  ILE   5          HG12      ILE   5  38.528   7.323   2.014
   34   HG13  ILE   5          HG11      ILE   5  37.937   5.782   1.394
   35   HG21  ILE   5          HG21      ILE   5  38.321   8.790  -0.896
   36   HG22  ILE   5          HG22      ILE   5  38.148   9.371   0.761
   37   HG23  ILE   5          HG23      ILE   5  36.796   9.494  -0.363
   38   HD11  ILE   5           HD1      ILE   5  39.223   6.375  -0.774
   39   HD12  ILE   5           HD2      ILE   5  40.176   5.894   0.628
   40   HD13  ILE   5           HD3      ILE   5  40.036   7.598   0.203
   41    H    VAL   6           HN       VAL   6  34.739   6.357  -0.535
   42    HA   VAL   6           HA       VAL   6  33.401   8.352  -1.931
   43    HB   VAL   6           HB       VAL   6  32.580   5.460  -1.507
   44   HG11  VAL   6          HG11      VAL   6  30.623   6.610  -2.273
   45   HG12  VAL   6          HG12      VAL   6  31.333   5.868  -3.705
   46   HG13  VAL   6          HG13      VAL   6  31.558   7.592  -3.402
   47   HG21  VAL   6          HG21      VAL   6  34.832   5.995  -2.589
   48   HG22  VAL   6          HG22      VAL   6  33.926   6.759  -3.893
   49   HG23  VAL   6          HG23      VAL   6  33.728   5.036  -3.573
   50    H    LYS   7           HN       LYS   7  32.552   6.732   1.055
   51    HA   LYS   7           HA       LYS   7  29.838   7.389   1.231
   52    HB2  LYS   7           HB2      LYS   7  31.008   5.863   2.792
   53    HB3  LYS   7           HB1      LYS   7  31.851   7.248   3.488
   54    HG2  LYS   7           HG2      LYS   7  29.771   8.222   4.241
   55    HG3  LYS   7           HG1      LYS   7  28.833   7.005   3.376
   56    HD2  LYS   7           HD2      LYS   7  29.809   5.241   4.805
   57    HD3  LYS   7           HD1      LYS   7  30.728   6.465   5.681
   58    HE2  LYS   7           HE2      LYS   7  28.632   5.835   6.868
   59    HE3  LYS   7           HE1      LYS   7  28.660   7.540   6.417
   60    HZ1  LYS   7           HZ1      LYS   7  27.021   7.268   4.924
   61    HZ2  LYS   7           HZ2      LYS   7  26.634   5.913   5.873
   62    HZ3  LYS   7           HZ3      LYS   7  27.541   5.724   4.448
   63    H    LYS   8           HN       LYS   8  32.713   9.237   2.193
   64    HA   LYS   8           HA       LYS   8  31.251  11.452   3.253
   65    HB2  LYS   8           HB2      LYS   8  34.113  11.237   2.286
   66    HB3  LYS   8           HB1      LYS   8  33.447  12.619   3.156
   67    HG2  LYS   8           HG2      LYS   8  32.878  11.142   5.058
   68    HG3  LYS   8           HG1      LYS   8  33.568   9.769   4.191
   69    HD2  LYS   8           HD2      LYS   8  35.766  10.823   4.180
   70    HD3  LYS   8           HD1      LYS   8  35.104  12.278   4.925
   71    HE2  LYS   8           HE2      LYS   8  34.950   9.548   6.224
   72    HE3  LYS   8           HE1      LYS   8  36.265  10.683   6.526
   73    HZ1  LYS   8           HZ1      LYS   8  34.984  11.861   7.879
   74    HZ2  LYS   8           HZ2      LYS   8  33.827  10.620   7.788
   75    HZ3  LYS   8           HZ3      LYS   8  33.730  11.954   6.741
   76    H    VAL   9           HN       VAL   9  32.611  10.658   0.099
   77    HA   VAL   9           HA       VAL   9  32.430  13.144  -1.152
   78    HB   VAL   9           HB       VAL   9  31.939  10.415  -2.386
   79   HG11  VAL   9          HG11      VAL   9  31.172  12.103  -3.911
   80   HG12  VAL   9          HG12      VAL   9  32.782  11.638  -4.459
   81   HG13  VAL   9          HG13      VAL   9  32.555  13.139  -3.561
   82   HG21  VAL   9          HG21      VAL   9  34.484  12.062  -2.283
   83   HG22  VAL   9          HG22      VAL   9  34.305  10.412  -2.879
   84   HG23  VAL   9          HG23      VAL   9  34.129  10.752  -1.157
   85    H    VAL  10           HN       VAL  10  30.056  10.497  -1.525
   86    HA   VAL  10           HA       VAL  10  28.060  11.993  -2.750
   87    HB   VAL  10           HB       VAL  10  26.466  10.269  -1.916
   88   HG11  VAL  10          HG11      VAL  10  29.124   9.128  -2.834
   89   HG12  VAL  10          HG12      VAL  10  27.922   9.859  -3.898
   90   HG13  VAL  10          HG13      VAL  10  27.541   8.375  -3.027
   91   HG21  VAL  10          HG21      VAL  10  27.490   8.390  -0.563
   92   HG22  VAL  10          HG22      VAL  10  27.314   9.908   0.317
   93   HG23  VAL  10          HG23      VAL  10  28.894   9.427  -0.304
   94    H    GLY  11           HN       GLY  11  28.791  11.603   0.679
   95    HA2  GLY  11           HA1      GLY  11  26.464  12.758   1.738
   96    HA3  GLY  11           HA2      GLY  11  28.028  12.703   2.539
   97    H    ALA  12           HN       ALA  12  29.517  14.231   0.706
   98    HA   ALA  12           HA       ALA  12  28.762  16.878   1.546
   99    HB1  ALA  12           HB1      ALA  12  30.779  17.557   0.256
  100    HB2  ALA  12           HB2      ALA  12  30.960  15.883  -0.270
  101    HB3  ALA  12           HB3      ALA  12  31.099  16.291   1.441
  102    H    PHE  13           HN       PHE  13  26.892  15.471  -0.251
  103    HA   PHE  13           HA       PHE  13  26.362  17.659  -2.041
  104    HB2  PHE  13           HB2      PHE  13  28.110  16.343  -3.286
  105    HB3  PHE  13           HB1      PHE  13  26.989  14.982  -3.306
  106    HD1  PHE  13           HD1      PHE  13  25.223  14.870  -4.919
  107    HD2  PHE  13           HD2      PHE  13  27.362  18.570  -4.306
  108    HE1  PHE  13           HE1      PHE  13  24.080  15.860  -6.899
  109    HE2  PHE  13           HE2      PHE  13  26.217  19.559  -6.285
  110    HZ   PHE  13           HZ       PHE  13  24.631  18.180  -7.622
  111    H    GLY  14           HN       GLY  14  25.438  15.178  -0.119
  112    HA2  GLY  14           HA1      GLY  14  23.115  14.211  -1.459
  113    HA3  GLY  14           HA2      GLY  14  23.481  14.033   0.252
  114    H    SER  15           HN       SER  15  22.423  16.459  -2.122
  115    HA   SER  15           HA       SER  15  20.951  18.214  -1.956
  116    HB2  SER  15           HB2      SER  15  18.899  17.770  -0.860
  117    HB3  SER  15           HB1      SER  15  19.490  16.190  -1.365
  118    HG   SER  15           HG       SER  15  18.856  16.936   1.051
  119    H    LEU  16           HN       LEU  16  23.272  18.805  -0.744
  120    HA   LEU  16           HA       LEU  16  23.254  19.436   1.972
  121    HB2  LEU  16           HB2      LEU  16  25.311  19.557   0.741
  122    HB3  LEU  16           HB1      LEU  16  24.648  20.749  -0.372
  123    HG   LEU  16           HG       LEU  16  24.598  22.443   1.346
  124   HD11  LEU  16          HD11      LEU  16  25.519  21.814   3.674
  125   HD12  LEU  16          HD12      LEU  16  25.223  20.139   3.206
  126   HD13  LEU  16          HD13      LEU  16  23.882  21.281   3.295
  127   HD21  LEU  16          HD21      LEU  16  26.788  22.015   0.271
  128   HD22  LEU  16          HD22      LEU  16  27.185  20.871   1.553
  129   HD23  LEU  16          HD23      LEU  16  26.985  22.581   1.930
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  41.265   0.347   2.486
    2    H2   GLY   1           HT2      GLY   1  41.057   0.385   0.800
    3    H3   GLY   1           HT3      GLY   1  39.923  -0.413   1.782
    4    HA2  GLY   1           HA1      GLY   1  38.936   1.449   2.452
    5    HA3  GLY   1           HA2      GLY   1  40.423   2.379   2.315
    6    H    LEU   2           HN       LEU   2  37.442   1.857   0.994
    7    HA   LEU   2           HA       LEU   2  37.942   3.593  -1.220
    8    HB2  LEU   2           HB2      LEU   2  37.085   1.834  -2.930
    9    HB3  LEU   2           HB1      LEU   2  38.774   1.760  -2.440
   10    HG   LEU   2           HG       LEU   2  38.187   0.018  -0.753
   11   HD11  LEU   2          HD11      LEU   2  35.430   0.469  -1.912
   12   HD12  LEU   2          HD12      LEU   2  35.910   0.324  -0.221
   13   HD13  LEU   2          HD13      LEU   2  35.867  -1.105  -1.246
   14   HD21  LEU   2          HD21      LEU   2  37.848  -1.782  -2.398
   15   HD22  LEU   2          HD22      LEU   2  38.981  -0.582  -3.020
   16   HD23  LEU   2          HD23      LEU   2  37.313  -0.601  -3.593
   17    H    PHE   3           HN       PHE   3  36.080   2.316   1.106
   18    HA   PHE   3           HA       PHE   3  33.500   3.018  -0.202
   19    HB2  PHE   3           HB2      PHE   3  33.585   0.705   0.597
   20    HB3  PHE   3           HB1      PHE   3  34.061   1.258   2.203
   21    HD1  PHE   3           HD1      PHE   3  31.344   1.558  -0.368
   22    HD2  PHE   3           HD2      PHE   3  32.407   1.875   3.804
   23    HE1  PHE   3           HE1      PHE   3  28.943   1.870   0.221
   24    HE2  PHE   3           HE2      PHE   3  30.005   2.186   4.391
   25    HZ   PHE   3           HZ       PHE   3  28.279   2.227   2.595
   26    H    ASP   4           HN       ASP   4  35.307   3.237   2.867
   27    HA   ASP   4           HA       ASP   4  33.577   4.979   4.206
   28    HB2  ASP   4           HB2      ASP   4  35.492   5.541   5.614
   29    HB3  ASP   4           HB1      ASP   4  35.484   3.811   5.276
   30    H    ILE   5           HN       ILE   5  36.067   5.594   1.806
   31    HA   ILE   5           HA       ILE   5  36.072   8.444   2.114
   32    HB   ILE   5           HB       ILE   5  36.907   6.913  -0.367
   33   HG12  ILE   5          HG12      ILE   5  38.465   7.431   2.191
   34   HG13  ILE   5          HG11      ILE   5  37.953   5.856   1.586
   35   HG21  ILE   5          HG21      ILE   5  36.759   9.477  -0.324
   36   HG22  ILE   5          HG22      ILE   5  38.315   8.795  -0.787
   37   HG23  ILE   5          HG23      ILE   5  38.083   9.432   0.841
   38   HD11  ILE   5           HD1      ILE   5  40.029   7.721   0.429
   39   HD12  ILE   5           HD2      ILE   5  39.294   6.450  -0.550
   40   HD13  ILE   5           HD3      ILE   5  40.213   6.032   0.895
   41    H    VAL   6           HN       VAL   6  34.765   6.291  -0.419
   42    HA   VAL   6           HA       VAL   6  33.465   8.175  -1.966
   43    HB   VAL   6           HB       VAL   6  32.482   5.376  -1.329
   44   HG11  VAL   6          HG11      VAL   6  30.712   6.604  -2.388
   45   HG12  VAL   6          HG12      VAL   6  31.463   5.630  -3.650
   46   HG13  VAL   6          HG13      VAL   6  31.827   7.350  -3.531
   47   HG21  VAL   6          HG21      VAL   6  33.750   4.691  -3.279
   48   HG22  VAL   6          HG22      VAL   6  34.841   5.568  -2.208
   49   HG23  VAL   6          HG23      VAL   6  34.184   6.362  -3.639
   50    H    LYS   7           HN       LYS   7  32.362   6.615   1.010
   51    HA   LYS   7           HA       LYS   7  29.708   7.435   1.048
   52    HB2  LYS   7           HB2      LYS   7  30.733   5.901   2.706
   53    HB3  LYS   7           HB1      LYS   7  31.585   7.272   3.416
   54    HG2  LYS   7           HG2      LYS   7  29.541   8.317   4.095
   55    HG3  LYS   7           HG1      LYS   7  28.573   7.214   3.119
   56    HD2  LYS   7           HD2      LYS   7  28.515   6.619   5.531
   57    HD3  LYS   7           HD1      LYS   7  29.208   5.332   4.544
   58    HE2  LYS   7           HE2      LYS   7  30.453   5.970   6.727
   59    HE3  LYS   7           HE1      LYS   7  31.414   5.811   5.260
   60    HZ1  LYS   7           HZ1      LYS   7  30.263   8.424   5.952
   61    HZ2  LYS   7           HZ2      LYS   7  31.667   8.067   5.067
   62    HZ3  LYS   7           HZ3      LYS   7  31.659   7.898   6.757
   63    H    LYS   8           HN       LYS   8  32.624   9.221   1.939
   64    HA   LYS   8           HA       LYS   8  31.237  11.492   2.991
   65    HB2  LYS   8           HB2      LYS   8  33.589  10.916   3.572
   66    HB3  LYS   8           HB1      LYS   8  34.065  11.329   1.924
   67    HG2  LYS   8           HG2      LYS   8  33.342  13.620   2.221
   68    HG3  LYS   8           HG1      LYS   8  32.642  13.243   3.795
   69    HD2  LYS   8           HD2      LYS   8  34.857  12.716   4.690
   70    HD3  LYS   8           HD1      LYS   8  35.586  12.994   3.107
   71    HE2  LYS   8           HE2      LYS   8  34.930  15.337   3.164
   72    HE3  LYS   8           HE1      LYS   8  34.054  15.090   4.673
   73    HZ1  LYS   8           HZ1      LYS   8  36.963  14.607   4.350
   74    HZ2  LYS   8           HZ2      LYS   8  36.075  14.596   5.799
   75    HZ3  LYS   8           HZ3      LYS   8  36.306  16.050   4.952
   76    H    VAL   9           HN       VAL   9  32.628  10.669  -0.159
   77    HA   VAL   9           HA       VAL   9  32.456  13.114  -1.448
   78    HB   VAL   9           HB       VAL   9  31.774  10.439  -2.703
   79   HG11  VAL   9          HG11      VAL   9  32.805  13.069  -3.805
   80   HG12  VAL   9          HG12      VAL   9  31.253  12.310  -4.157
   81   HG13  VAL   9          HG13      VAL   9  32.746  11.567  -4.729
   82   HG21  VAL   9          HG21      VAL   9  34.474  11.795  -2.419
   83   HG22  VAL   9          HG22      VAL   9  34.157  10.228  -3.162
   84   HG23  VAL   9          HG23      VAL   9  33.935  10.441  -1.425
   85    H    VAL  10           HN       VAL  10  29.979  10.542  -1.639
   86    HA   VAL  10           HA       VAL  10  28.008  12.249  -2.771
   87    HB   VAL  10           HB       VAL  10  26.411  10.410  -2.194
   88   HG11  VAL  10          HG11      VAL  10  27.585  10.252  -4.294
   89   HG12  VAL  10          HG12      VAL  10  27.615   8.650  -3.559
   90   HG13  VAL  10          HG13      VAL  10  29.047   9.677  -3.495
   91   HG21  VAL  10          HG21      VAL  10  27.430   9.701  -0.078
   92   HG22  VAL  10          HG22      VAL  10  28.895   9.208  -0.927
   93   HG23  VAL  10          HG23      VAL  10  27.384   8.341  -1.199
   94    H    GLY  11           HN       GLY  11  29.053  11.660   0.469
   95    HA2  GLY  11           HA1      GLY  11  26.691  12.390   1.848
   96    HA3  GLY  11           HA2      GLY  11  28.321  12.413   2.507
   97    H    ALA  12           HN       ALA  12  29.467  14.258   0.697
   98    HA   ALA  12           HA       ALA  12  28.690  16.706   1.929
   99    HB1  ALA  12           HB1      ALA  12  30.339  17.729   0.434
  100    HB2  ALA  12           HB2      ALA  12  30.437  16.229  -0.490
  101    HB3  ALA  12           HB3      ALA  12  30.986  16.270   1.185
  102    H    PHE  13           HN       PHE  13  28.049  15.234  -1.214
  103    HA   PHE  13           HA       PHE  13  26.953  17.407  -2.566
  104    HB2  PHE  13           HB2      PHE  13  27.406  15.115  -3.515
  105    HB3  PHE  13           HB1      PHE  13  25.931  14.563  -2.722
  106    HD1  PHE  13           HD1      PHE  13  23.710  15.476  -3.385
  107    HD2  PHE  13           HD2      PHE  13  27.330  16.544  -5.480
  108    HE1  PHE  13           HE1      PHE  13  22.353  16.357  -5.282
  109    HE2  PHE  13           HE2      PHE  13  25.974  17.424  -7.376
  110    HZ   PHE  13           HZ       PHE  13  23.488  17.268  -7.305
  111    H    GLY  14           HN       GLY  14  25.660  15.512   0.048
  112    HA2  GLY  14           HA1      GLY  14  22.923  16.277  -0.304
  113    HA3  GLY  14           HA2      GLY  14  23.624  15.523   1.122
  114    H    SER  15           HN       SER  15  24.741  18.532  -0.326
  115    HA   SER  15           HA       SER  15  23.305  20.272   1.414
  116    HB2  SER  15           HB2      SER  15  24.821  19.198   3.074
  117    HB3  SER  15           HB1      SER  15  26.200  19.781   2.147
  118    HG   SER  15           HG       SER  15  24.602  21.834   2.486
  119    H    LEU  16           HN       LEU  16  25.261  19.606  -1.176
  120    HA   LEU  16           HA       LEU  16  26.605  22.093  -1.526
  121    HB2  LEU  16           HB2      LEU  16  27.411  20.152  -2.704
  122    HB3  LEU  16           HB1      LEU  16  25.845  19.893  -3.463
  123    HG   LEU  16           HG       LEU  16  26.081  21.894  -4.803
  124   HD11  LEU  16          HD11      LEU  16  28.319  23.186  -4.605
  125   HD12  LEU  16          HD12      LEU  16  28.477  22.414  -3.027
  126   HD13  LEU  16          HD13      LEU  16  27.107  23.476  -3.358
  127   HD21  LEU  16          HD21      LEU  16  28.119  21.331  -6.085
  128   HD22  LEU  16          HD22      LEU  16  27.238  19.876  -5.621
  129   HD23  LEU  16          HD23      LEU  16  28.691  20.345  -4.739
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  40.011   1.381   4.300
    2    H2   GLY   1           HT2      GLY   1  40.099   2.788   3.351
    3    H3   GLY   1           HT3      GLY   1  40.078   1.258   2.612
    4    HA2  GLY   1           HA1      GLY   1  37.881   0.865   3.288
    5    HA3  GLY   1           HA2      GLY   1  37.894   2.341   4.244
    6    H    LEU   2           HN       LEU   2  38.519   1.275   0.899
    7    HA   LEU   2           HA       LEU   2  38.171   3.712  -0.368
    8    HB2  LEU   2           HB2      LEU   2  37.863   2.508  -2.394
    9    HB3  LEU   2           HB1      LEU   2  38.951   1.539  -1.409
   10    HG   LEU   2           HG       LEU   2  35.975   1.072  -1.815
   11   HD11  LEU   2          HD11      LEU   2  38.362  -0.659  -2.503
   12   HD12  LEU   2          HD12      LEU   2  37.566   0.416  -3.652
   13   HD13  LEU   2          HD13      LEU   2  36.679  -0.937  -2.949
   14   HD21  LEU   2          HD21      LEU   2  36.528  -1.065  -0.476
   15   HD22  LEU   2          HD22      LEU   2  36.406   0.427   0.448
   16   HD23  LEU   2          HD23      LEU   2  37.992  -0.228   0.040
   17    H    PHE   3           HN       PHE   3  35.886   2.075   1.452
   18    HA   PHE   3           HA       PHE   3  33.550   3.053  -0.036
   19    HB2  PHE   3           HB2      PHE   3  33.869   1.411   2.489
   20    HB3  PHE   3           HB1      PHE   3  32.306   1.969   1.894
   21    HD1  PHE   3           HD1      PHE   3  31.862   1.508  -0.697
   22    HD2  PHE   3           HD2      PHE   3  34.633  -0.711   1.762
   23    HE1  PHE   3           HE1      PHE   3  31.751  -0.402  -2.293
   24    HE2  PHE   3           HE2      PHE   3  34.521  -2.619   0.164
   25    HZ   PHE   3           HZ       PHE   3  32.992  -2.505  -1.800
   26    H    ASP   4           HN       ASP   4  35.217   3.539   3.053
   27    HA   ASP   4           HA       ASP   4  33.484   5.391   4.217
   28    HB2  ASP   4           HB2      ASP   4  35.486   4.315   5.305
   29    HB3  ASP   4           HB1      ASP   4  36.501   5.453   4.419
   30    H    ILE   5           HN       ILE   5  36.082   5.852   1.864
   31    HA   ILE   5           HA       ILE   5  35.975   8.701   1.862
   32    HB   ILE   5           HB       ILE   5  36.898   6.971  -0.451
   33   HG12  ILE   5          HG12      ILE   5  38.411   7.755   2.065
   34   HG13  ILE   5          HG11      ILE   5  37.913   6.122   1.628
   35   HG21  ILE   5          HG21      ILE   5  38.000   9.609   0.551
   36   HG22  ILE   5          HG22      ILE   5  36.698   9.523  -0.635
   37   HG23  ILE   5          HG23      ILE   5  38.276   8.836  -1.010
   38   HD11  ILE   5           HD1      ILE   5  39.988   7.866   0.293
   39   HD12  ILE   5           HD2      ILE   5  39.270   6.491  -0.548
   40   HD13  ILE   5           HD3      ILE   5  40.178   6.239   0.942
   41    H    VAL   6           HN       VAL   6  34.819   6.305  -0.524
   42    HA   VAL   6           HA       VAL   6  33.455   8.056  -2.197
   43    HB   VAL   6           HB       VAL   6  32.773   5.177  -1.523
   44   HG11  VAL   6          HG11      VAL   6  31.801   7.038  -3.706
   45   HG12  VAL   6          HG12      VAL   6  30.829   6.130  -2.549
   46   HG13  VAL   6          HG13      VAL   6  31.686   5.283  -3.837
   47   HG21  VAL   6          HG21      VAL   6  35.069   5.705  -2.474
   48   HG22  VAL   6          HG22      VAL   6  34.252   6.327  -3.907
   49   HG23  VAL   6          HG23      VAL   6  34.088   4.626  -3.467
   50    H    LYS   7           HN       LYS   7  32.525   6.739   0.910
   51    HA   LYS   7           HA       LYS   7  29.751   7.391   0.733
   52    HB2  LYS   7           HB2      LYS   7  30.761   5.753   2.360
   53    HB3  LYS   7           HB1      LYS   7  31.408   7.131   3.250
   54    HG2  LYS   7           HG2      LYS   7  29.127   8.027   3.536
   55    HG3  LYS   7           HG1      LYS   7  28.474   6.652   2.643
   56    HD2  LYS   7           HD2      LYS   7  29.462   5.124   4.354
   57    HD3  LYS   7           HD1      LYS   7  29.976   6.539   5.275
   58    HE2  LYS   7           HE2      LYS   7  27.100   6.022   4.478
   59    HE3  LYS   7           HE1      LYS   7  27.779   5.545   6.034
   60    HZ1  LYS   7           HZ1      LYS   7  26.667   7.937   5.514
   61    HZ2  LYS   7           HZ2      LYS   7  28.317   8.278   5.294
   62    HZ3  LYS   7           HZ3      LYS   7  27.768   7.639   6.770
   63    H    LYS   8           HN       LYS   8  32.632   9.109   1.789
   64    HA   LYS   8           HA       LYS   8  31.267  11.308   2.996
   65    HB2  LYS   8           HB2      LYS   8  33.630  10.747   3.484
   66    HB3  LYS   8           HB1      LYS   8  34.062  11.197   1.834
   67    HG2  LYS   8           HG2      LYS   8  33.393  13.481   2.197
   68    HG3  LYS   8           HG1      LYS   8  32.675  13.080   3.758
   69    HD2  LYS   8           HD2      LYS   8  34.928  12.415   4.588
   70    HD3  LYS   8           HD1      LYS   8  35.620  12.930   3.049
   71    HE2  LYS   8           HE2      LYS   8  34.070  14.708   4.956
   72    HE3  LYS   8           HE1      LYS   8  35.823  14.705   4.759
   73    HZ1  LYS   8           HZ1      LYS   8  35.105  16.412   3.384
   74    HZ2  LYS   8           HZ2      LYS   8  33.750  15.548   2.833
   75    HZ3  LYS   8           HZ3      LYS   8  35.307  15.116   2.308
   76    H    VAL   9           HN       VAL   9  32.620  10.714  -0.227
   77    HA   VAL   9           HA       VAL   9  32.297  13.236  -1.351
   78    HB   VAL   9           HB       VAL   9  31.834  10.580  -2.746
   79   HG11  VAL   9          HG11      VAL   9  31.078  12.408  -4.123
   80   HG12  VAL   9          HG12      VAL   9  32.662  11.921  -4.729
   81   HG13  VAL   9          HG13      VAL   9  32.505  13.366  -3.730
   82   HG21  VAL   9          HG21      VAL   9  34.225  10.702  -3.304
   83   HG22  VAL   9          HG22      VAL   9  34.012  10.698  -1.554
   84   HG23  VAL   9          HG23      VAL   9  34.375  12.205  -2.393
   85    H    VAL  10           HN       VAL  10  29.997  10.509  -1.541
   86    HA   VAL  10           HA       VAL  10  27.900  12.044  -2.681
   87    HB   VAL  10           HB       VAL  10  26.440  10.134  -2.051
   88   HG11  VAL  10          HG11      VAL  10  29.151   9.401  -3.199
   89   HG12  VAL  10          HG12      VAL  10  27.751   9.978  -4.106
   90   HG13  VAL  10          HG13      VAL  10  27.706   8.397  -3.324
   91   HG21  VAL  10          HG21      VAL  10  27.363   9.559   0.111
   92   HG22  VAL  10          HG22      VAL  10  28.947   9.238  -0.596
   93   HG23  VAL  10          HG23      VAL  10  27.591   8.168  -0.950
   94    H    GLY  11           HN       GLY  11  29.022  11.614   0.567
   95    HA2  GLY  11           HA1      GLY  11  26.611  12.338   1.906
   96    HA3  GLY  11           HA2      GLY  11  28.224  12.320   2.604
   97    H    ALA  12           HN       ALA  12  29.509  14.142   0.934
   98    HA   ALA  12           HA       ALA  12  28.672  16.607   2.101
   99    HB1  ALA  12           HB1      ALA  12  30.504  17.588   0.865
  100    HB2  ALA  12           HB2      ALA  12  30.617  16.162  -0.166
  101    HB3  ALA  12           HB3      ALA  12  31.027  16.048   1.546
  102    H    PHE  13           HN       PHE  13  27.120  14.963  -0.160
  103    HA   PHE  13           HA       PHE  13  25.708  15.462  -1.909
  104    HB2  PHE  13           HB2      PHE  13  25.581  18.217  -0.674
  105    HB3  PHE  13           HB1      PHE  13  24.328  17.375  -1.587
  106    HD1  PHE  13           HD1      PHE  13  23.731  14.931  -0.611
  107    HD2  PHE  13           HD2      PHE  13  25.371  18.201   1.683
  108    HE1  PHE  13           HE1      PHE  13  22.853  13.905   1.483
  109    HE2  PHE  13           HE2      PHE  13  24.492  17.174   3.774
  110    HZ   PHE  13           HZ       PHE  13  23.186  15.055   3.667
  111    H    GLY  14           HN       GLY  14  28.655  16.165  -2.119
  112    HA2  GLY  14           HA1      GLY  14  30.072  17.178  -3.611
  113    HA3  GLY  14           HA2      GLY  14  28.720  17.072  -4.731
  114    H    SER  15           HN       SER  15  28.863  18.929  -1.736
  115    HA   SER  15           HA       SER  15  28.799  21.178  -1.307
  116    HB2  SER  15           HB2      SER  15  29.495  21.774  -4.180
  117    HB3  SER  15           HB1      SER  15  29.916  22.676  -2.729
  118    HG   SER  15           HG       SER  15  31.678  21.547  -2.744
  119    H    LEU  16           HN       LEU  16  26.906  19.630  -3.619
  120    HA   LEU  16           HA       LEU  16  25.248  21.843  -4.407
  121    HB2  LEU  16           HB2      LEU  16  24.462  18.926  -4.434
  122    HB3  LEU  16           HB1      LEU  16  23.866  20.222  -5.468
  123    HG   LEU  16           HG       LEU  16  26.648  19.022  -5.470
  124   HD11  LEU  16          HD11      LEU  16  24.497  19.159  -7.603
  125   HD12  LEU  16          HD12      LEU  16  24.860  17.738  -6.624
  126   HD13  LEU  16          HD13      LEU  16  26.062  18.361  -7.754
  127   HD21  LEU  16          HD21      LEU  16  27.004  21.342  -5.887
  128   HD22  LEU  16          HD22      LEU  16  25.525  21.482  -6.838
  129   HD23  LEU  16          HD23      LEU  16  26.916  20.617  -7.491
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  41.199   0.221   1.052
    2    H2   GLY   1           HT2      GLY   1  39.953  -0.921   0.879
    3    H3   GLY   1           HT3      GLY   1  40.662  -0.655   2.400
    4    HA2  GLY   1           HA1      GLY   1  38.462   0.356   2.099
    5    HA3  GLY   1           HA2      GLY   1  39.748   1.452   2.588
    6    H    LEU   2           HN       LEU   2  37.147   1.355   0.764
    7    HA   LEU   2           HA       LEU   2  37.977   3.545  -0.901
    8    HB2  LEU   2           HB2      LEU   2  37.170   2.322  -3.037
    9    HB3  LEU   2           HB1      LEU   2  38.787   1.957  -2.445
   10    HG   LEU   2           HG       LEU   2  37.879  -0.055  -1.276
   11   HD11  LEU   2          HD11      LEU   2  35.310   0.945  -2.521
   12   HD12  LEU   2          HD12      LEU   2  35.589   0.347  -0.884
   13   HD13  LEU   2          HD13      LEU   2  35.540  -0.781  -2.233
   14   HD21  LEU   2          HD21      LEU   2  37.590  -1.383  -3.322
   15   HD22  LEU   2          HD22      LEU   2  38.864  -0.184  -3.548
   16   HD23  LEU   2          HD23      LEU   2  37.267   0.085  -4.244
   17    H    PHE   3           HN       PHE   3  35.825   1.968   0.931
   18    HA   PHE   3           HA       PHE   3  33.405   3.006  -0.434
   19    HB2  PHE   3           HB2      PHE   3  32.161   1.603   1.139
   20    HB3  PHE   3           HB1      PHE   3  33.363   0.640   0.281
   21    HD1  PHE   3           HD1      PHE   3  32.440   2.167   3.517
   22    HD2  PHE   3           HD2      PHE   3  35.372  -0.201   1.414
   23    HE1  PHE   3           HE1      PHE   3  33.462   1.500   5.690
   24    HE2  PHE   3           HE2      PHE   3  36.394  -0.867   3.585
   25    HZ   PHE   3           HZ       PHE   3  35.389  -0.078   5.725
   26    H    ASP   4           HN       ASP   4  35.177   3.102   2.638
   27    HA   ASP   4           HA       ASP   4  33.410   4.814   4.019
   28    HB2  ASP   4           HB2      ASP   4  35.256   3.498   5.071
   29    HB3  ASP   4           HB1      ASP   4  36.412   4.620   4.354
   30    H    ILE   5           HN       ILE   5  35.998   5.423   1.727
   31    HA   ILE   5           HA       ILE   5  36.107   8.260   2.175
   32    HB   ILE   5           HB       ILE   5  37.016   6.801  -0.321
   33   HG12  ILE   5          HG12      ILE   5  38.467   7.163   2.323
   34   HG13  ILE   5          HG11      ILE   5  37.909   5.632   1.652
   35   HG21  ILE   5          HG21      ILE   5  38.214   9.221   1.053
   36   HG22  ILE   5          HG22      ILE   5  36.961   9.363  -0.178
   37   HG23  ILE   5          HG23      ILE   5  38.514   8.643  -0.586
   38   HD11  ILE   5           HD1      ILE   5  40.120   7.425   0.640
   39   HD12  ILE   5           HD2      ILE   5  39.373   6.214  -0.404
   40   HD13  ILE   5           HD3      ILE   5  40.205   5.718   1.069
   41    H    VAL   6           HN       VAL   6  34.764   6.214  -0.422
   42    HA   VAL   6           HA       VAL   6  33.633   8.228  -1.978
   43    HB   VAL   6           HB       VAL   6  32.639   5.399  -1.510
   44   HG11  VAL   6          HG11      VAL   6  30.796   6.616  -2.436
   45   HG12  VAL   6          HG12      VAL   6  31.554   5.788  -3.795
   46   HG13  VAL   6          HG13      VAL   6  31.847   7.508  -3.535
   47   HG21  VAL   6          HG21      VAL   6  34.981   5.795  -2.465
   48   HG22  VAL   6          HG22      VAL   6  34.189   6.533  -3.856
   49   HG23  VAL   6          HG23      VAL   6  33.895   4.838  -3.472
   50    H    LYS   7           HN       LYS   7  32.486   6.735   0.984
   51    HA   LYS   7           HA       LYS   7  29.819   7.681   0.893
   52    HB2  LYS   7           HB2      LYS   7  30.633   5.898   2.430
   53    HB3  LYS   7           HB1      LYS   7  31.513   7.125   3.340
   54    HG2  LYS   7           HG2      LYS   7  29.476   8.256   3.942
   55    HG3  LYS   7           HG1      LYS   7  28.529   7.259   2.837
   56    HD2  LYS   7           HD2      LYS   7  29.054   5.258   4.167
   57    HD3  LYS   7           HD1      LYS   7  30.030   6.234   5.265
   58    HE2  LYS   7           HE2      LYS   7  28.074   7.526   5.927
   59    HE3  LYS   7           HE1      LYS   7  27.077   6.681   4.744
   60    HZ1  LYS   7           HZ1      LYS   7  28.540   5.034   6.650
   61    HZ2  LYS   7           HZ2      LYS   7  26.983   4.826   6.004
   62    HZ3  LYS   7           HZ3      LYS   7  27.240   5.932   7.267
   63    H    LYS   8           HN       LYS   8  32.844   9.146   1.892
   64    HA   LYS   8           HA       LYS   8  31.668  11.380   3.245
   65    HB2  LYS   8           HB2      LYS   8  34.033  10.522   3.555
   66    HB3  LYS   8           HB1      LYS   8  34.422  11.258   2.000
   67    HG2  LYS   8           HG2      LYS   8  33.545  13.444   2.907
   68    HG3  LYS   8           HG1      LYS   8  33.409  12.669   4.485
   69    HD2  LYS   8           HD2      LYS   8  35.973  12.890   2.875
   70    HD3  LYS   8           HD1      LYS   8  35.545  13.927   4.232
   71    HE2  LYS   8           HE2      LYS   8  35.276  11.686   5.560
   72    HE3  LYS   8           HE1      LYS   8  36.236  10.990   4.254
   73    HZ1  LYS   8           HZ1      LYS   8  36.991  13.207   6.072
   74    HZ2  LYS   8           HZ2      LYS   8  37.869  12.812   4.672
   75    HZ3  LYS   8           HZ3      LYS   8  37.725  11.684   5.934
   76    H    VAL   9           HN       VAL   9  32.501  10.642  -0.066
   77    HA   VAL   9           HA       VAL   9  32.416  13.329  -1.043
   78    HB   VAL   9           HB       VAL   9  31.957  10.752  -2.580
   79   HG11  VAL   9          HG11      VAL   9  31.239  12.667  -3.858
   80   HG12  VAL   9          HG12      VAL   9  32.821  12.192  -4.474
   81   HG13  VAL   9          HG13      VAL   9  32.676  13.581  -3.397
   82   HG21  VAL   9          HG21      VAL   9  34.518  12.331  -2.171
   83   HG22  VAL   9          HG22      VAL   9  34.343  10.823  -3.068
   84   HG23  VAL   9          HG23      VAL   9  34.127  10.838  -1.318
   85    H    VAL  10           HN       VAL  10  30.099  10.619  -1.164
   86    HA   VAL  10           HA       VAL  10  28.008  12.057  -2.399
   87    HB   VAL  10           HB       VAL  10  27.747   9.708  -0.497
   88   HG11  VAL  10          HG11      VAL  10  25.943  10.896  -2.621
   89   HG12  VAL  10          HG12      VAL  10  25.608  10.744  -0.896
   90   HG13  VAL  10          HG13      VAL  10  25.685   9.303  -1.909
   91   HG21  VAL  10          HG21      VAL  10  28.158   9.814  -3.504
   92   HG22  VAL  10          HG22      VAL  10  27.765   8.355  -2.594
   93   HG23  VAL  10          HG23      VAL  10  29.299   9.180  -2.317
   94    H    GLY  11           HN       GLY  11  29.147  11.929   0.878
   95    HA2  GLY  11           HA1      GLY  11  26.865  12.736   2.273
   96    HA3  GLY  11           HA2      GLY  11  28.521  13.057   2.769
   97    H    ALA  12           HN       ALA  12  29.392  14.690   0.722
   98    HA   ALA  12           HA       ALA  12  28.257  17.195   1.492
   99    HB1  ALA  12           HB1      ALA  12  30.621  16.974   0.916
  100    HB2  ALA  12           HB2      ALA  12  29.831  18.145  -0.139
  101    HB3  ALA  12           HB3      ALA  12  30.186  16.524  -0.734
  102    H    PHE  13           HN       PHE  13  27.975  15.111  -1.341
  103    HA   PHE  13           HA       PHE  13  26.686  16.830  -3.109
  104    HB2  PHE  13           HB2      PHE  13  27.450  14.510  -3.636
  105    HB3  PHE  13           HB1      PHE  13  26.072  13.892  -2.725
  106    HD1  PHE  13           HD1      PHE  13  23.761  14.216  -3.526
  107    HD2  PHE  13           HD2      PHE  13  27.153  15.616  -5.797
  108    HE1  PHE  13           HE1      PHE  13  22.301  14.512  -5.523
  109    HE2  PHE  13           HE2      PHE  13  25.694  15.912  -7.795
  110    HZ   PHE  13           HZ       PHE  13  23.254  15.432  -7.634
  111    H    GLY  14           HN       GLY  14  25.564  15.482  -0.147
  112    HA2  GLY  14           HA1      GLY  14  22.757  15.668  -0.683
  113    HA3  GLY  14           HA2      GLY  14  23.509  15.455   0.891
  114    H    SER  15           HN       SER  15  24.405  18.094  -1.199
  115    HA   SER  15           HA       SER  15  22.575  20.017  -0.166
  116    HB2  SER  15           HB2      SER  15  23.837  19.739   1.895
  117    HB3  SER  15           HB1      SER  15  25.355  19.972   1.031
  118    HG   SER  15           HG       SER  15  24.287  22.058   0.370
  119    H    LEU  16           HN       LEU  16  26.076  20.197  -0.813
  120    HA   LEU  16           HA       LEU  16  25.727  22.373  -2.660
  121    HB2  LEU  16           HB2      LEU  16  28.227  20.703  -2.361
  122    HB3  LEU  16           HB1      LEU  16  28.091  22.401  -2.818
  123    HG   LEU  16           HG       LEU  16  27.488  21.205  -0.095
  124   HD11  LEU  16          HD11      LEU  16  29.559  23.256  -0.928
  125   HD12  LEU  16          HD12      LEU  16  29.902  21.534  -0.755
  126   HD13  LEU  16          HD13      LEU  16  29.404  22.481   0.648
  127   HD21  LEU  16          HD21      LEU  16  25.906  22.970  -0.388
  128   HD22  LEU  16          HD22      LEU  16  27.078  23.988  -1.225
  129   HD23  LEU  16          HD23      LEU  16  27.236  23.701   0.507
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  39.948   2.293   2.673
    2    H2   GLY   1           HT2      GLY   1  39.234   0.815   2.231
    3    H3   GLY   1           HT3      GLY   1  39.624   1.123   3.856
    4    HA2  GLY   1           HA1      GLY   1  37.293   1.343   3.497
    5    HA3  GLY   1           HA2      GLY   1  38.031   2.874   3.945
    6    H    LEU   2           HN       LEU   2  38.103   1.215   0.824
    7    HA   LEU   2           HA       LEU   2  37.775   3.375  -0.823
    8    HB2  LEU   2           HB2      LEU   2  38.272   1.194  -1.718
    9    HB3  LEU   2           HB1      LEU   2  36.745   0.545  -1.131
   10    HG   LEU   2           HG       LEU   2  35.500   1.952  -2.700
   11   HD11  LEU   2          HD11      LEU   2  36.928   3.209  -4.460
   12   HD12  LEU   2          HD12      LEU   2  38.250   3.073  -3.302
   13   HD13  LEU   2          HD13      LEU   2  36.785   3.952  -2.871
   14   HD21  LEU   2          HD21      LEU   2  37.821   0.578  -4.088
   15   HD22  LEU   2          HD22      LEU   2  36.229   0.895  -4.776
   16   HD23  LEU   2          HD23      LEU   2  36.403  -0.251  -3.447
   17    H    PHE   3           HN       PHE   3  35.263   1.605   0.908
   18    HA   PHE   3           HA       PHE   3  33.100   3.127  -0.308
   19    HB2  PHE   3           HB2      PHE   3  32.796   0.754   0.354
   20    HB3  PHE   3           HB1      PHE   3  33.056   1.208   2.038
   21    HD1  PHE   3           HD1      PHE   3  30.833   1.701  -0.915
   22    HD2  PHE   3           HD2      PHE   3  31.320   2.258   3.338
   23    HE1  PHE   3           HE1      PHE   3  28.433   2.341  -0.723
   24    HE2  PHE   3           HE2      PHE   3  28.919   2.900   3.529
   25    HZ   PHE   3           HZ       PHE   3  27.477   2.947   1.498
   26    H    ASP   4           HN       ASP   4  35.155   3.263   2.456
   27    HA   ASP   4           HA       ASP   4  33.500   4.947   4.082
   28    HB2  ASP   4           HB2      ASP   4  35.401   3.545   4.938
   29    HB3  ASP   4           HB1      ASP   4  36.510   4.681   4.170
   30    H    ILE   5           HN       ILE   5  36.160   5.536   1.805
   31    HA   ILE   5           HA       ILE   5  36.204   8.366   2.209
   32    HB   ILE   5           HB       ILE   5  37.211   6.860  -0.225
   33   HG12  ILE   5          HG12      ILE   5  38.603   7.427   2.416
   34   HG13  ILE   5          HG11      ILE   5  38.074   5.841   1.859
   35   HG21  ILE   5          HG21      ILE   5  38.268   9.393   1.066
   36   HG22  ILE   5          HG22      ILE   5  37.078   9.419  -0.232
   37   HG23  ILE   5          HG23      ILE   5  38.674   8.738  -0.519
   38   HD11  ILE   5           HD1      ILE   5  39.550   6.305  -0.230
   39   HD12  ILE   5           HD2      ILE   5  40.366   5.900   1.280
   40   HD13  ILE   5           HD3      ILE   5  40.281   7.577   0.750
   41    H    VAL   6           HN       VAL   6  34.763   6.244  -0.258
   42    HA   VAL   6           HA       VAL   6  33.711   8.311  -1.876
   43    HB   VAL   6           HB       VAL   6  32.786   5.444  -1.511
   44   HG11  VAL   6          HG11      VAL   6  31.724   5.871  -3.803
   45   HG12  VAL   6          HG12      VAL   6  31.954   7.589  -3.480
   46   HG13  VAL   6          HG13      VAL   6  30.917   6.625  -2.429
   47   HG21  VAL   6          HG21      VAL   6  34.088   4.979  -3.468
   48   HG22  VAL   6          HG22      VAL   6  35.130   5.944  -2.423
   49   HG23  VAL   6          HG23      VAL   6  34.328   6.693  -3.802
   50    H    LYS   7           HN       LYS   7  32.788   7.140   1.203
   51    HA   LYS   7           HA       LYS   7  29.997   7.789   1.065
   52    HB2  LYS   7           HB2      LYS   7  30.965   6.185   2.712
   53    HB3  LYS   7           HB1      LYS   7  31.760   7.540   3.513
   54    HG2  LYS   7           HG2      LYS   7  29.637   8.562   4.042
   55    HG3  LYS   7           HG1      LYS   7  28.768   7.384   3.056
   56    HD2  LYS   7           HD2      LYS   7  29.545   5.573   4.560
   57    HD3  LYS   7           HD1      LYS   7  30.362   6.772   5.562
   58    HE2  LYS   7           HE2      LYS   7  27.384   6.565   5.041
   59    HE3  LYS   7           HE1      LYS   7  28.214   6.294   6.574
   60    HZ1  LYS   7           HZ1      LYS   7  27.728   8.436   6.926
   61    HZ2  LYS   7           HZ2      LYS   7  27.484   8.773   5.279
   62    HZ3  LYS   7           HZ3      LYS   7  29.057   8.751   5.921
   63    H    LYS   8           HN       LYS   8  32.928   9.534   1.822
   64    HA   LYS   8           HA       LYS   8  31.649  11.774   3.074
   65    HB2  LYS   8           HB2      LYS   8  34.062  11.144   3.382
   66    HB3  LYS   8           HB1      LYS   8  34.359  11.693   1.733
   67    HG2  LYS   8           HG2      LYS   8  33.547  13.937   2.311
   68    HG3  LYS   8           HG1      LYS   8  33.191  13.399   3.952
   69    HD2  LYS   8           HD2      LYS   8  35.591  12.853   4.277
   70    HD3  LYS   8           HD1      LYS   8  35.932  13.458   2.655
   71    HE2  LYS   8           HE2      LYS   8  34.987  15.674   3.335
   72    HE3  LYS   8           HE1      LYS   8  34.811  15.052   4.977
   73    HZ1  LYS   8           HZ1      LYS   8  36.869  15.879   5.209
   74    HZ2  LYS   8           HZ2      LYS   8  37.200  15.850   3.544
   75    HZ3  LYS   8           HZ3      LYS   8  37.349  14.432   4.466
   76    H    VAL   9           HN       VAL   9  32.711  11.008  -0.212
   77    HA   VAL   9           HA       VAL   9  32.277  13.566  -1.336
   78    HB   VAL   9           HB       VAL   9  32.008  10.904  -2.763
   79   HG11  VAL   9          HG11      VAL   9  31.240  12.816  -4.071
   80   HG12  VAL   9          HG12      VAL   9  32.796  12.272  -4.701
   81   HG13  VAL   9          HG13      VAL   9  32.710  13.708  -3.681
   82   HG21  VAL   9          HG21      VAL   9  34.484  12.597  -2.284
   83   HG22  VAL   9          HG22      VAL   9  34.413  11.104  -3.221
   84   HG23  VAL   9          HG23      VAL   9  34.136  11.066  -1.479
   85    H    VAL  10           HN       VAL  10  30.231  10.638  -1.489
   86    HA   VAL  10           HA       VAL  10  28.014  11.931  -2.673
   87    HB   VAL  10           HB       VAL  10  28.021   9.440  -0.940
   88   HG11  VAL  10          HG11      VAL  10  25.969   8.933  -2.349
   89   HG12  VAL  10          HG12      VAL  10  26.031  10.608  -2.902
   90   HG13  VAL  10          HG13      VAL  10  25.773  10.250  -1.194
   91   HG21  VAL  10          HG21      VAL  10  28.308   9.813  -3.941
   92   HG22  VAL  10          HG22      VAL  10  28.123   8.257  -3.131
   93   HG23  VAL  10          HG23      VAL  10  29.562   9.235  -2.842
   94    H    GLY  11           HN       GLY  11  28.878  11.283   0.699
   95    HA2  GLY  11           HA1      GLY  11  26.468  12.146   1.871
   96    HA3  GLY  11           HA2      GLY  11  28.032  12.083   2.672
   97    H    ALA  12           HN       ALA  12  29.077  13.900   0.459
   98    HA   ALA  12           HA       ALA  12  28.597  16.378   1.857
   99    HB1  ALA  12           HB1      ALA  12  30.798  15.762   0.886
  100    HB2  ALA  12           HB2      ALA  12  30.201  17.320   0.312
  101    HB3  ALA  12           HB3      ALA  12  30.089  15.895  -0.723
  102    H    PHE  13           HN       PHE  13  27.308  14.780  -0.931
  103    HA   PHE  13           HA       PHE  13  25.756  15.401  -2.513
  104    HB2  PHE  13           HB2      PHE  13  24.914  17.204  -0.231
  105    HB3  PHE  13           HB1      PHE  13  23.950  16.893  -1.674
  106    HD1  PHE  13           HD1      PHE  13  23.477  14.391  -2.270
  107    HD2  PHE  13           HD2      PHE  13  24.733  15.741   1.634
  108    HE1  PHE  13           HE1      PHE  13  22.603  12.287  -1.260
  109    HE2  PHE  13           HE2      PHE  13  23.859  13.638   2.642
  110    HZ   PHE  13           HZ       PHE  13  22.738  11.940   1.203
  111    H    GLY  14           HN       GLY  14  28.331  16.842  -2.431
  112    HA2  GLY  14           HA1      GLY  14  28.185  19.564  -2.814
  113    HA3  GLY  14           HA2      GLY  14  29.324  18.515  -3.646
  114    H    SER  15           HN       SER  15  26.874  17.082  -4.805
  115    HA   SER  15           HA       SER  15  25.614  19.009  -6.527
  116    HB2  SER  15           HB2      SER  15  27.846  18.901  -7.577
  117    HB3  SER  15           HB1      SER  15  27.681  17.155  -7.736
  118    HG   SER  15           HG       SER  15  26.998  18.761  -9.527
  119    H    LEU  16           HN       LEU  16  26.402  15.676  -5.745
  120    HA   LEU  16           HA       LEU  16  24.434  14.424  -7.355
  121    HB2  LEU  16           HB2      LEU  16  25.925  13.609  -4.859
  122    HB3  LEU  16           HB1      LEU  16  24.683  12.566  -5.549
  123    HG   LEU  16           HG       LEU  16  25.879  12.459  -7.666
  124   HD11  LEU  16          HD11      LEU  16  26.856  14.619  -7.889
  125   HD12  LEU  16          HD12      LEU  16  28.225  13.521  -7.725
  126   HD13  LEU  16          HD13      LEU  16  27.699  14.486  -6.345
  127   HD21  LEU  16          HD21      LEU  16  26.532  10.899  -5.840
  128   HD22  LEU  16          HD22      LEU  16  27.779  12.039  -5.336
  129   HD23  LEU  16          HD23      LEU  16  27.885  11.259  -6.914
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  37.648   1.271   4.321
    2    H2   GLY   1           HT2      GLY   1  38.854   1.831   3.262
    3    H3   GLY   1           HT3      GLY   1  38.923   0.247   3.875
    4    HA2  GLY   1           HA1      GLY   1  38.063  -0.254   1.917
    5    HA3  GLY   1           HA2      GLY   1  36.575   0.138   2.770
    6    H    LEU   2           HN       LEU   2  37.449   0.373  -0.111
    7    HA   LEU   2           HA       LEU   2  37.736   3.079  -0.811
    8    HB2  LEU   2           HB2      LEU   2  37.248   2.426  -3.044
    9    HB3  LEU   2           HB1      LEU   2  38.095   1.069  -2.313
   10    HG   LEU   2           HG       LEU   2  35.089   1.292  -2.720
   11   HD11  LEU   2          HD11      LEU   2  36.400   0.839  -4.763
   12   HD12  LEU   2          HD12      LEU   2  35.443  -0.564  -4.286
   13   HD13  LEU   2          HD13      LEU   2  37.175  -0.525  -3.957
   14   HD21  LEU   2          HD21      LEU   2  36.818  -0.787  -1.347
   15   HD22  LEU   2          HD22      LEU   2  35.217  -1.172  -1.976
   16   HD23  LEU   2          HD23      LEU   2  35.395   0.033  -0.706
   17    H    PHE   3           HN       PHE   3  35.074   1.444   0.507
   18    HA   PHE   3           HA       PHE   3  33.046   3.225  -0.625
   19    HB2  PHE   3           HB2      PHE   3  32.600   0.797  -0.148
   20    HB3  PHE   3           HB1      PHE   3  32.759   1.160   1.571
   21    HD1  PHE   3           HD1      PHE   3  30.627   1.451  -1.396
   22    HD2  PHE   3           HD2      PHE   3  31.166   2.729   2.691
   23    HE1  PHE   3           HE1      PHE   3  28.263   2.231  -1.328
   24    HE2  PHE   3           HE2      PHE   3  28.799   3.509   2.759
   25    HZ   PHE   3           HZ       PHE   3  27.342   3.240   0.755
   26    H    ASP   4           HN       ASP   4  34.869   2.764   2.343
   27    HA   ASP   4           HA       ASP   4  33.371   4.473   4.018
   28    HB2  ASP   4           HB2      ASP   4  36.314   3.768   4.069
   29    HB3  ASP   4           HB1      ASP   4  35.458   4.597   5.370
   30    H    ILE   5           HN       ILE   5  35.973   5.069   1.718
   31    HA   ILE   5           HA       ILE   5  36.326   7.829   2.430
   32    HB   ILE   5           HB       ILE   5  37.091   6.549  -0.211
   33   HG12  ILE   5          HG12      ILE   5  38.593   6.519   2.431
   34   HG13  ILE   5          HG11      ILE   5  37.885   5.116   1.631
   35   HG21  ILE   5          HG21      ILE   5  37.264   9.080   0.191
   36   HG22  ILE   5          HG22      ILE   5  38.742   8.269  -0.315
   37   HG23  ILE   5          HG23      ILE   5  38.510   8.703   1.379
   38   HD11  ILE   5           HD1      ILE   5  40.170   5.045   1.007
   39   HD12  ILE   5           HD2      ILE   5  40.241   6.787   0.744
   40   HD13  ILE   5           HD3      ILE   5  39.369   5.757  -0.393
   41    H    VAL   6           HN       VAL   6  34.916   6.229  -0.438
   42    HA   VAL   6           HA       VAL   6  33.917   8.498  -1.695
   43    HB   VAL   6           HB       VAL   6  32.746   5.698  -1.675
   44   HG11  VAL   6          HG11      VAL   6  32.224   8.117  -3.422
   45   HG12  VAL   6          HG12      VAL   6  31.050   7.173  -2.506
   46   HG13  VAL   6          HG13      VAL   6  31.823   6.476  -3.929
   47   HG21  VAL   6          HG21      VAL   6  34.070   5.332  -3.647
   48   HG22  VAL   6          HG22      VAL   6  35.157   6.030  -2.448
   49   HG23  VAL   6          HG23      VAL   6  34.514   7.036  -3.744
   50    H    LYS   7           HN       LYS   7  32.875   7.013   1.218
   51    HA   LYS   7           HA       LYS   7  30.139   7.728   1.199
   52    HB2  LYS   7           HB2      LYS   7  31.312   6.167   2.834
   53    HB3  LYS   7           HB1      LYS   7  31.900   7.613   3.657
   54    HG2  LYS   7           HG2      LYS   7  29.418   8.356   3.724
   55    HG3  LYS   7           HG1      LYS   7  29.041   6.685   3.309
   56    HD2  LYS   7           HD2      LYS   7  30.610   7.619   5.732
   57    HD3  LYS   7           HD1      LYS   7  28.971   6.971   5.738
   58    HE2  LYS   7           HE2      LYS   7  29.969   4.866   4.649
   59    HE3  LYS   7           HE1      LYS   7  31.544   5.522   5.100
   60    HZ1  LYS   7           HZ1      LYS   7  30.628   5.716   7.409
   61    HZ2  LYS   7           HZ2      LYS   7  30.868   4.129   6.854
   62    HZ3  LYS   7           HZ3      LYS   7  29.303   4.791   6.893
   63    H    LYS   8           HN       LYS   8  33.059   9.472   2.154
   64    HA   LYS   8           HA       LYS   8  31.725  11.721   3.282
   65    HB2  LYS   8           HB2      LYS   8  34.120  11.103   3.698
   66    HB3  LYS   8           HB1      LYS   8  34.490  11.638   2.058
   67    HG2  LYS   8           HG2      LYS   8  33.706  13.888   2.567
   68    HG3  LYS   8           HG1      LYS   8  33.189  13.377   4.175
   69    HD2  LYS   8           HD2      LYS   8  35.503  12.857   4.786
   70    HD3  LYS   8           HD1      LYS   8  36.047  13.285   3.162
   71    HE2  LYS   8           HE2      LYS   8  35.147  15.593   3.522
   72    HE3  LYS   8           HE1      LYS   8  34.764  15.146   5.184
   73    HZ1  LYS   8           HZ1      LYS   8  37.060  14.732   5.619
   74    HZ2  LYS   8           HZ2      LYS   8  36.929  16.279   4.930
   75    HZ3  LYS   8           HZ3      LYS   8  37.477  14.972   3.993
   76    H    VAL   9           HN       VAL   9  32.888  10.936   0.040
   77    HA   VAL   9           HA       VAL   9  32.621  13.451  -1.158
   78    HB   VAL   9           HB       VAL   9  32.067  10.762  -2.451
   79   HG11  VAL   9          HG11      VAL   9  32.874  12.023  -4.494
   80   HG12  VAL   9          HG12      VAL   9  32.779  13.501  -3.536
   81   HG13  VAL   9          HG13      VAL   9  31.320  12.566  -3.865
   82   HG21  VAL   9          HG21      VAL   9  34.422  10.715  -3.003
   83   HG22  VAL   9          HG22      VAL   9  34.292  10.973  -1.263
   84   HG23  VAL   9          HG23      VAL   9  34.662  12.327  -2.330
   85    H    VAL  10           HN       VAL  10  30.284  10.757  -1.410
   86    HA   VAL  10           HA       VAL  10  28.188  12.243  -2.501
   87    HB   VAL  10           HB       VAL  10  27.922   9.865  -0.635
   88   HG11  VAL  10          HG11      VAL  10  25.789  10.936  -0.978
   89   HG12  VAL  10          HG12      VAL  10  25.831   9.514  -2.021
   90   HG13  VAL  10          HG13      VAL  10  26.097  11.118  -2.705
   91   HG21  VAL  10          HG21      VAL  10  28.002   8.501  -2.655
   92   HG22  VAL  10          HG22      VAL  10  29.461   9.487  -2.579
   93   HG23  VAL  10          HG23      VAL  10  28.145   9.942  -3.661
   94    H    GLY  11           HN       GLY  11  29.296  11.957   0.798
   95    HA2  GLY  11           HA1      GLY  11  27.095  12.758   2.254
   96    HA3  GLY  11           HA2      GLY  11  28.754  13.158   2.676
   97    H    ALA  12           HN       ALA  12  29.234  14.697   0.258
   98    HA   ALA  12           HA       ALA  12  28.285  17.233   1.178
   99    HB1  ALA  12           HB1      ALA  12  29.637  16.512  -1.427
  100    HB2  ALA  12           HB2      ALA  12  30.468  16.938   0.070
  101    HB3  ALA  12           HB3      ALA  12  29.468  18.134  -0.755
  102    H    PHE  13           HN       PHE  13  27.605  15.251  -1.704
  103    HA   PHE  13           HA       PHE  13  25.555  17.036  -2.662
  104    HB2  PHE  13           HB2      PHE  13  26.288  14.206  -3.453
  105    HB3  PHE  13           HB1      PHE  13  25.116  15.218  -4.301
  106    HD1  PHE  13           HD1      PHE  13  28.683  14.651  -3.587
  107    HD2  PHE  13           HD2      PHE  13  25.830  17.251  -5.517
  108    HE1  PHE  13           HE1      PHE  13  30.531  15.736  -4.857
  109    HE2  PHE  13           HE2      PHE  13  27.678  18.337  -6.787
  110    HZ   PHE  13           HZ       PHE  13  30.034  17.612  -6.423
  111    H    GLY  14           HN       GLY  14  25.695  14.695  -0.237
  112    HA2  GLY  14           HA1      GLY  14  23.326  13.312  -0.320
  113    HA3  GLY  14           HA2      GLY  14  24.075  13.875   1.169
  114    H    SER  15           HN       SER  15  23.825  16.691   0.491
  115    HA   SER  15           HA       SER  15  21.185  17.135   1.511
  116    HB2  SER  15           HB2      SER  15  21.801  19.561   1.182
  117    HB3  SER  15           HB1      SER  15  22.923  18.645   2.184
  118    HG   SER  15           HG       SER  15  23.866  19.986   0.473
  119    H    LEU  16           HN       LEU  16  22.780  17.811  -1.601
  120    HA   LEU  16           HA       LEU  16  20.441  18.880  -2.842
  121    HB2  LEU  16           HB2      LEU  16  23.096  17.866  -3.867
  122    HB3  LEU  16           HB1      LEU  16  21.821  18.348  -4.983
  123    HG   LEU  16           HG       LEU  16  21.751  20.584  -3.991
  124   HD11  LEU  16          HD11      LEU  16  23.638  21.141  -2.324
  125   HD12  LEU  16          HD12      LEU  16  23.780  19.401  -2.081
  126   HD13  LEU  16          HD13      LEU  16  22.268  20.225  -1.698
  127   HD21  LEU  16          HD21      LEU  16  23.977  21.354  -4.704
  128   HD22  LEU  16          HD22      LEU  16  23.377  20.115  -5.807
  129   HD23  LEU  16          HD23      LEU  16  24.594  19.705  -4.598
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  39.921   1.689   1.640
    2    H2   GLY   1           HT2      GLY   1  40.072   1.086   3.222
    3    H3   GLY   1           HT3      GLY   1  40.449   2.709   2.886
    4    HA2  GLY   1           HA1      GLY   1  37.890   1.411   3.211
    5    HA3  GLY   1           HA2      GLY   1  38.428   2.998   3.740
    6    H    LEU   2           HN       LEU   2  38.539   1.504   0.530
    7    HA   LEU   2           HA       LEU   2  37.939   3.677  -1.008
    8    HB2  LEU   2           HB2      LEU   2  38.550   1.570  -2.007
    9    HB3  LEU   2           HB1      LEU   2  37.104   0.791  -1.376
   10    HG   LEU   2           HG       LEU   2  35.685   2.152  -2.823
   11   HD11  LEU   2          HD11      LEU   2  38.306   3.518  -3.493
   12   HD12  LEU   2          HD12      LEU   2  36.791   4.255  -2.972
   13   HD13  LEU   2          HD13      LEU   2  36.928   3.587  -4.593
   14   HD21  LEU   2          HD21      LEU   2  36.335   1.203  -4.948
   15   HD22  LEU   2          HD22      LEU   2  36.786   0.053  -3.690
   16   HD23  LEU   2          HD23      LEU   2  38.016   1.074  -4.433
   17    H    PHE   3           HN       PHE   3  35.669   1.645   0.773
   18    HA   PHE   3           HA       PHE   3  33.330   3.037  -0.258
   19    HB2  PHE   3           HB2      PHE   3  33.534   1.092   2.057
   20    HB3  PHE   3           HB1      PHE   3  32.067   1.577   1.207
   21    HD1  PHE   3           HD1      PHE   3  35.245  -0.322   0.939
   22    HD2  PHE   3           HD2      PHE   3  31.507   0.670  -0.978
   23    HE1  PHE   3           HE1      PHE   3  35.615  -2.139  -0.726
   24    HE2  PHE   3           HE2      PHE   3  31.878  -1.146  -2.643
   25    HZ   PHE   3           HZ       PHE   3  33.876  -2.621  -2.444
   26    H    ASP   4           HN       ASP   4  35.500   3.186   2.434
   27    HA   ASP   4           HA       ASP   4  33.852   4.691   4.206
   28    HB2  ASP   4           HB2      ASP   4  35.969   3.436   4.819
   29    HB3  ASP   4           HB1      ASP   4  36.873   4.756   4.075
   30    H    ILE   5           HN       ILE   5  36.231   5.581   1.735
   31    HA   ILE   5           HA       ILE   5  36.026   8.405   2.230
   32    HB   ILE   5           HB       ILE   5  37.051   7.072  -0.294
   33   HG12  ILE   5          HG12      ILE   5  38.459   7.616   2.343
   34   HG13  ILE   5          HG11      ILE   5  38.159   6.038   1.619
   35   HG21  ILE   5          HG21      ILE   5  37.936   9.647   1.041
   36   HG22  ILE   5          HG22      ILE   5  36.667   9.606  -0.183
   37   HG23  ILE   5          HG23      ILE   5  38.302   9.094  -0.593
   38   HD11  ILE   5           HD1      ILE   5  39.512   6.932  -0.410
   39   HD12  ILE   5           HD2      ILE   5  40.409   6.504   1.047
   40   HD13  ILE   5           HD3      ILE   5  40.061   8.194   0.695
   41    H    VAL   6           HN       VAL   6  34.961   6.340  -0.492
   42    HA   VAL   6           HA       VAL   6  33.565   8.211  -1.953
   43    HB   VAL   6           HB       VAL   6  32.886   5.288  -1.509
   44   HG11  VAL   6          HG11      VAL   6  30.878   6.287  -2.345
   45   HG12  VAL   6          HG12      VAL   6  31.678   5.593  -3.753
   46   HG13  VAL   6          HG13      VAL   6  31.772   7.329  -3.451
   47   HG21  VAL   6          HG21      VAL   6  34.202   6.637  -3.885
   48   HG22  VAL   6          HG22      VAL   6  34.120   4.912  -3.532
   49   HG23  VAL   6          HG23      VAL   6  35.128   5.967  -2.544
   50    H    LYS   7           HN       LYS   7  32.691   6.781   1.102
   51    HA   LYS   7           HA       LYS   7  29.909   7.373   1.024
   52    HB2  LYS   7           HB2      LYS   7  30.919   5.777   2.633
   53    HB3  LYS   7           HB1      LYS   7  31.719   7.129   3.437
   54    HG2  LYS   7           HG2      LYS   7  29.627   8.096   4.096
   55    HG3  LYS   7           HG1      LYS   7  28.718   7.015   3.043
   56    HD2  LYS   7           HD2      LYS   7  28.525   6.213   5.330
   57    HD3  LYS   7           HD1      LYS   7  29.510   5.077   4.411
   58    HE2  LYS   7           HE2      LYS   7  30.820   7.307   5.974
   59    HE3  LYS   7           HE1      LYS   7  30.346   5.807   6.771
   60    HZ1  LYS   7           HZ1      LYS   7  32.204   4.916   6.012
   61    HZ2  LYS   7           HZ2      LYS   7  32.572   6.304   5.104
   62    HZ3  LYS   7           HZ3      LYS   7  31.616   5.073   4.430
   63    H    LYS   8           HN       LYS   8  32.750   9.154   2.152
   64    HA   LYS   8           HA       LYS   8  31.262  11.354   3.226
   65    HB2  LYS   8           HB2      LYS   8  34.168  11.083   2.424
   66    HB3  LYS   8           HB1      LYS   8  33.489  12.491   3.243
   67    HG2  LYS   8           HG2      LYS   8  32.926  11.215   5.185
   68    HG3  LYS   8           HG1      LYS   8  33.219   9.687   4.353
   69    HD2  LYS   8           HD2      LYS   8  35.098  10.228   5.844
   70    HD3  LYS   8           HD1      LYS   8  35.618  10.255   4.160
   71    HE2  LYS   8           HE2      LYS   8  35.685  12.623   4.099
   72    HE3  LYS   8           HE1      LYS   8  34.705  12.776   5.559
   73    HZ1  LYS   8           HZ1      LYS   8  37.402  12.874   5.473
   74    HZ2  LYS   8           HZ2      LYS   8  37.121  11.265   5.938
   75    HZ3  LYS   8           HZ3      LYS   8  36.481  12.542   6.859
   76    H    VAL   9           HN       VAL   9  32.535  10.521   0.083
   77    HA   VAL   9           HA       VAL   9  32.562  13.066  -1.111
   78    HB   VAL   9           HB       VAL   9  31.916  10.409  -2.430
   79   HG11  VAL   9          HG11      VAL   9  32.781  13.110  -3.496
   80   HG12  VAL   9          HG12      VAL   9  31.316  12.214  -3.899
   81   HG13  VAL   9          HG13      VAL   9  32.887  11.625  -4.441
   82   HG21  VAL   9          HG21      VAL   9  34.565  11.863  -2.121
   83   HG22  VAL   9          HG22      VAL   9  34.312  10.316  -2.929
   84   HG23  VAL   9          HG23      VAL   9  34.082  10.448  -1.186
   85    H    VAL  10           HN       VAL  10  30.082  10.552  -1.642
   86    HA   VAL  10           HA       VAL  10  28.165  12.281  -2.740
   87    HB   VAL  10           HB       VAL  10  26.510  10.492  -2.178
   88   HG11  VAL  10          HG11      VAL  10  27.482   8.824  -3.631
   89   HG12  VAL  10          HG12      VAL  10  29.115   9.375  -3.254
   90   HG13  VAL  10          HG13      VAL  10  28.031  10.404  -4.192
   91   HG21  VAL  10          HG21      VAL  10  27.369   9.762  -0.033
   92   HG22  VAL  10          HG22      VAL  10  28.919   9.326  -0.750
   93   HG23  VAL  10          HG23      VAL  10  27.472   8.399  -1.146
   94    H    GLY  11           HN       GLY  11  29.236  11.945   0.473
   95    HA2  GLY  11           HA1      GLY  11  26.831  12.677   1.826
   96    HA3  GLY  11           HA2      GLY  11  28.457  12.714   2.495
   97    H    ALA  12           HN       ALA  12  29.188  14.427   0.049
   98    HA   ALA  12           HA       ALA  12  28.832  16.961   1.361
   99    HB1  ALA  12           HB1      ALA  12  30.850  16.283   0.019
  100    HB2  ALA  12           HB2      ALA  12  30.173  17.855  -0.405
  101    HB3  ALA  12           HB3      ALA  12  29.861  16.453  -1.429
  102    H    PHE  13           HN       PHE  13  26.765  15.142  -0.437
  103    HA   PHE  13           HA       PHE  13  24.839  15.570  -1.617
  104    HB2  PHE  13           HB2      PHE  13  25.002  18.275  -0.271
  105    HB3  PHE  13           HB1      PHE  13  23.557  17.500  -0.922
  106    HD1  PHE  13           HD1      PHE  13  22.721  15.339   0.104
  107    HD2  PHE  13           HD2      PHE  13  25.819  17.732   1.927
  108    HE1  PHE  13           HE1      PHE  13  22.359  14.161   2.268
  109    HE2  PHE  13           HE2      PHE  13  25.455  16.552   4.091
  110    HZ   PHE  13           HZ       PHE  13  23.683  14.812   4.277
  111    H    GLY  14           HN       GLY  14  27.355  16.128  -2.919
  112    HA2  GLY  14           HA1      GLY  14  27.397  18.565  -4.297
  113    HA3  GLY  14           HA2      GLY  14  28.145  17.072  -4.849
  114    H    SER  15           HN       SER  15  25.003  16.309  -4.387
  115    HA   SER  15           HA       SER  15  23.781  17.470  -6.704
  116    HB2  SER  15           HB2      SER  15  23.699  15.505  -8.112
  117    HB3  SER  15           HB1      SER  15  25.385  15.869  -7.759
  118    HG   SER  15           HG       SER  15  25.174  14.316  -6.012
  119    H    LEU  16           HN       LEU  16  23.705  14.306  -5.037
  120    HA   LEU  16           HA       LEU  16  20.840  14.285  -4.918
  121    HB2  LEU  16           HB2      LEU  16  22.659  12.576  -3.217
  122    HB3  LEU  16           HB1      LEU  16  21.060  12.187  -3.850
  123    HG   LEU  16           HG       LEU  16  23.611  12.511  -5.458
  124   HD11  LEU  16          HD11      LEU  16  23.312  10.380  -4.165
  125   HD12  LEU  16          HD12      LEU  16  23.352  10.140  -5.911
  126   HD13  LEU  16          HD13      LEU  16  21.812  10.105  -5.051
  127   HD21  LEU  16          HD21      LEU  16  21.851  13.361  -6.835
  128   HD22  LEU  16          HD22      LEU  16  20.723  12.119  -6.293
  129   HD23  LEU  16          HD23      LEU  16  22.070  11.688  -7.348
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  39.740  -1.116   3.330
    2    H2   GLY   1           HT2      GLY   1  39.181   0.466   3.604
    3    H3   GLY   1           HT3      GLY   1  40.540   0.198   2.617
    4    HA2  GLY   1           HA1      GLY   1  39.085  -1.099   1.129
    5    HA3  GLY   1           HA2      GLY   1  37.739  -0.478   2.077
    6    H    LEU   2           HN       LEU   2  36.761   0.901   0.747
    7    HA   LEU   2           HA       LEU   2  38.045   3.396   0.130
    8    HB2  LEU   2           HB2      LEU   2  37.973   3.307  -2.253
    9    HB3  LEU   2           HB1      LEU   2  38.817   1.855  -1.729
   10    HG   LEU   2           HG       LEU   2  35.925   2.054  -2.633
   11   HD11  LEU   2          HD11      LEU   2  36.651   0.643  -4.457
   12   HD12  LEU   2          HD12      LEU   2  38.252   0.463  -3.741
   13   HD13  LEU   2          HD13      LEU   2  37.740   2.028  -4.371
   14   HD21  LEU   2          HD21      LEU   2  37.462  -0.198  -1.310
   15   HD22  LEU   2          HD22      LEU   2  36.078  -0.518  -2.354
   16   HD23  LEU   2          HD23      LEU   2  35.869   0.436  -0.890
   17    H    PHE   3           HN       PHE   3  35.464   1.586   0.938
   18    HA   PHE   3           HA       PHE   3  33.365   3.136  -0.354
   19    HB2  PHE   3           HB2      PHE   3  33.278   1.054   1.846
   20    HB3  PHE   3           HB1      PHE   3  31.861   1.787   1.095
   21    HD1  PHE   3           HD1      PHE   3  34.095  -0.973   0.927
   22    HD2  PHE   3           HD2      PHE   3  31.851   1.744  -1.571
   23    HE1  PHE   3           HE1      PHE   3  34.206  -2.604  -0.950
   24    HE2  PHE   3           HE2      PHE   3  31.965   0.109  -3.447
   25    HZ   PHE   3           HZ       PHE   3  33.178  -2.046  -3.150
   26    H    ASP   4           HN       ASP   4  35.115   3.032   2.655
   27    HA   ASP   4           HA       ASP   4  33.371   4.706   4.167
   28    HB2  ASP   4           HB2      ASP   4  35.321   4.982   5.670
   29    HB3  ASP   4           HB1      ASP   4  35.035   3.288   5.263
   30    H    ILE   5           HN       ILE   5  35.862   5.279   1.813
   31    HA   ILE   5           HA       ILE   5  36.158   8.103   2.433
   32    HB   ILE   5           HB       ILE   5  37.103   6.683  -0.075
   33   HG12  ILE   5          HG12      ILE   5  38.495   6.913   2.617
   34   HG13  ILE   5          HG11      ILE   5  37.862   5.424   1.916
   35   HG21  ILE   5          HG21      ILE   5  37.146   9.240   0.156
   36   HG22  ILE   5          HG22      ILE   5  38.682   8.467  -0.223
   37   HG23  ILE   5          HG23      ILE   5  38.347   9.003   1.424
   38   HD11  ILE   5           HD1      ILE   5  40.191   7.097   0.964
   39   HD12  ILE   5           HD2      ILE   5  39.393   5.945  -0.107
   40   HD13  ILE   5           HD3      ILE   5  40.169   5.383   1.373
   41    H    VAL   6           HN       VAL   6  34.916   6.224  -0.343
   42    HA   VAL   6           HA       VAL   6  33.890   8.362  -1.811
   43    HB   VAL   6           HB       VAL   6  32.885   5.503  -1.647
   44   HG11  VAL   6          HG11      VAL   6  32.223   7.772  -3.540
   45   HG12  VAL   6          HG12      VAL   6  31.102   6.793  -2.594
   46   HG13  VAL   6          HG13      VAL   6  31.957   6.080  -3.962
   47   HG21  VAL   6          HG21      VAL   6  34.248   5.151  -3.614
   48   HG22  VAL   6          HG22      VAL   6  35.267   5.914  -2.394
   49   HG23  VAL   6          HG23      VAL   6  34.619   6.871  -3.725
   50    H    LYS   7           HN       LYS   7  32.673   6.817   1.055
   51    HA   LYS   7           HA       LYS   7  29.958   7.582   0.864
   52    HB2  LYS   7           HB2      LYS   7  30.744   5.922   2.492
   53    HB3  LYS   7           HB1      LYS   7  31.665   7.170   3.331
   54    HG2  LYS   7           HG2      LYS   7  29.671   8.344   3.966
   55    HG3  LYS   7           HG1      LYS   7  28.673   7.356   2.898
   56    HD2  LYS   7           HD2      LYS   7  29.201   5.360   4.255
   57    HD3  LYS   7           HD1      LYS   7  30.181   6.356   5.333
   58    HE2  LYS   7           HE2      LYS   7  27.239   6.840   4.791
   59    HE3  LYS   7           HE1      LYS   7  27.850   5.948   6.184
   60    HZ1  LYS   7           HZ1      LYS   7  28.966   7.850   6.976
   61    HZ2  LYS   7           HZ2      LYS   7  27.405   8.372   6.554
   62    HZ3  LYS   7           HZ3      LYS   7  28.721   8.704   5.531
   63    H    LYS   8           HN       LYS   8  32.844   9.328   1.671
   64    HA   LYS   8           HA       LYS   8  31.534  11.531   2.987
   65    HB2  LYS   8           HB2      LYS   8  33.893  10.974   3.429
   66    HB3  LYS   8           HB1      LYS   8  34.294  11.345   1.752
   67    HG2  LYS   8           HG2      LYS   8  33.686  13.657   2.034
   68    HG3  LYS   8           HG1      LYS   8  32.993  13.339   3.623
   69    HD2  LYS   8           HD2      LYS   8  35.169  12.821   4.544
   70    HD3  LYS   8           HD1      LYS   8  35.912  12.897   2.945
   71    HE2  LYS   8           HE2      LYS   8  34.513  15.242   4.257
   72    HE3  LYS   8           HE1      LYS   8  36.255  14.974   4.332
   73    HZ1  LYS   8           HZ1      LYS   8  35.396  14.724   1.667
   74    HZ2  LYS   8           HZ2      LYS   8  36.466  15.863   2.334
   75    HZ3  LYS   8           HZ3      LYS   8  34.798  16.184   2.291
   76    H    VAL   9           HN       VAL   9  32.924  10.987  -0.246
   77    HA   VAL   9           HA       VAL   9  32.515  13.488  -1.362
   78    HB   VAL   9           HB       VAL   9  32.084  10.859  -2.810
   79   HG11  VAL   9          HG11      VAL   9  31.415  12.785  -4.128
   80   HG12  VAL   9          HG12      VAL   9  32.966  12.209  -4.737
   81   HG13  VAL   9          HG13      VAL   9  32.899  13.640  -3.708
   82   HG21  VAL   9          HG21      VAL   9  34.624  12.403  -2.192
   83   HG22  VAL   9          HG22      VAL   9  34.528  11.063  -3.335
   84   HG23  VAL   9          HG23      VAL   9  34.212  10.785  -1.623
   85    H    VAL  10           HN       VAL  10  30.277  10.710  -1.614
   86    HA   VAL  10           HA       VAL  10  28.161  12.226  -2.739
   87    HB   VAL  10           HB       VAL  10  26.734  10.280  -2.200
   88   HG11  VAL  10          HG11      VAL  10  29.480   9.446  -3.182
   89   HG12  VAL  10          HG12      VAL  10  28.267  10.253  -4.176
   90   HG13  VAL  10          HG13      VAL  10  27.950   8.641  -3.532
   91   HG21  VAL  10          HG21      VAL  10  27.884   8.316  -1.080
   92   HG22  VAL  10          HG22      VAL  10  27.568   9.684  -0.013
   93   HG23  VAL  10          HG23      VAL  10  29.192   9.416  -0.648
   94    H    GLY  11           HN       GLY  11  29.343  11.931   0.459
   95    HA2  GLY  11           HA1      GLY  11  26.907  12.467   1.856
   96    HA3  GLY  11           HA2      GLY  11  28.535  12.588   2.510
   97    H    ALA  12           HN       ALA  12  29.268  14.425   0.238
   98    HA   ALA  12           HA       ALA  12  28.693  16.877   1.588
   99    HB1  ALA  12           HB1      ALA  12  29.849  16.429  -1.168
  100    HB2  ALA  12           HB2      ALA  12  30.779  16.485   0.330
  101    HB3  ALA  12           HB3      ALA  12  29.928  17.923  -0.234
  102    H    PHE  13           HN       PHE  13  27.599  15.440  -1.475
  103    HA   PHE  13           HA       PHE  13  25.900  17.614  -2.189
  104    HB2  PHE  13           HB2      PHE  13  26.796  15.875  -3.776
  105    HB3  PHE  13           HB1      PHE  13  25.657  14.729  -3.069
  106    HD1  PHE  13           HD1      PHE  13  23.205  15.058  -3.303
  107    HD2  PHE  13           HD2      PHE  13  26.045  17.676  -5.231
  108    HE1  PHE  13           HE1      PHE  13  21.396  15.941  -4.772
  109    HE2  PHE  13           HE2      PHE  13  24.236  18.558  -6.700
  110    HZ   PHE  13           HZ       PHE  13  21.900  17.733  -6.428
  111    H    GLY  14           HN       GLY  14  25.581  14.924  -0.045
  112    HA2  GLY  14           HA1      GLY  14  22.727  14.794  -0.013
  113    HA3  GLY  14           HA2      GLY  14  23.816  14.092   1.174
  114    H    SER  15           HN       SER  15  24.926  17.047   1.209
  115    HA   SER  15           HA       SER  15  22.842  18.512   2.556
  116    HB2  SER  15           HB2      SER  15  25.152  17.473   4.214
  117    HB3  SER  15           HB1      SER  15  23.877  18.556   4.763
  118    HG   SER  15           HG       SER  15  22.645  16.883   5.030
  119    H    LEU  16           HN       LEU  16  23.595  19.888   0.793
  120    HA   LEU  16           HA       LEU  16  26.139  20.883   0.425
  121    HB2  LEU  16           HB2      LEU  16  24.294  21.405  -1.084
  122    HB3  LEU  16           HB1      LEU  16  23.491  22.334   0.175
  123    HG   LEU  16           HG       LEU  16  25.324  23.968   0.185
  124   HD11  LEU  16          HD11      LEU  16  27.020  23.711  -1.790
  125   HD12  LEU  16          HD12      LEU  16  26.572  22.006  -1.752
  126   HD13  LEU  16          HD13      LEU  16  27.294  22.763  -0.332
  127   HD21  LEU  16          HD21      LEU  16  24.972  24.883  -2.083
  128   HD22  LEU  16          HD22      LEU  16  23.464  24.270  -1.405
  129   HD23  LEU  16          HD23      LEU  16  24.337  23.325  -2.611
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  39.953   2.582   3.290
    2    H2   GLY   1           HT2      GLY   1  39.916   1.152   4.208
    3    H3   GLY   1           HT3      GLY   1  38.792   2.392   4.510
    4    HA2  GLY   1           HA1      GLY   1  38.895   0.441   2.370
    5    HA3  GLY   1           HA2      GLY   1  37.528   0.991   3.328
    6    H    LEU   2           HN       LEU   2  37.320   0.780   0.604
    7    HA   LEU   2           HA       LEU   2  37.758   3.382  -0.629
    8    HB2  LEU   2           HB2      LEU   2  36.024   1.246  -1.867
    9    HB3  LEU   2           HB1      LEU   2  37.147   2.363  -2.644
   10    HG   LEU   2           HG       LEU   2  37.895  -0.019  -0.923
   11   HD11  LEU   2          HD11      LEU   2  38.822  -0.889  -3.052
   12   HD12  LEU   2          HD12      LEU   2  38.187   0.525  -3.894
   13   HD13  LEU   2          HD13      LEU   2  37.080  -0.634  -3.157
   14   HD21  LEU   2          HD21      LEU   2  39.551   1.712  -0.603
   15   HD22  LEU   2          HD22      LEU   2  39.554   2.101  -2.322
   16   HD23  LEU   2          HD23      LEU   2  40.224   0.569  -1.765
   17    H    PHE   3           HN       PHE   3  35.246   1.604   0.960
   18    HA   PHE   3           HA       PHE   3  33.090   3.363   0.120
   19    HB2  PHE   3           HB2      PHE   3  33.222   1.197   2.236
   20    HB3  PHE   3           HB1      PHE   3  31.755   2.053   1.759
   21    HD1  PHE   3           HD1      PHE   3  30.649   1.597  -0.359
   22    HD2  PHE   3           HD2      PHE   3  34.392  -0.308   0.638
   23    HE1  PHE   3           HE1      PHE   3  30.356   0.023  -2.267
   24    HE2  PHE   3           HE2      PHE   3  34.099  -1.883  -1.271
   25    HZ   PHE   3           HZ       PHE   3  32.122  -1.662  -2.771
   26    H    ASP   4           HN       ASP   4  35.475   3.195   2.567
   27    HA   ASP   4           HA       ASP   4  34.127   4.892   4.488
   28    HB2  ASP   4           HB2      ASP   4  37.023   4.039   4.253
   29    HB3  ASP   4           HB1      ASP   4  36.332   4.912   5.622
   30    H    ILE   5           HN       ILE   5  35.029   5.602   1.516
   31    HA   ILE   5           HA       ILE   5  35.862   8.367   2.193
   32    HB   ILE   5           HB       ILE   5  36.936   6.840  -0.200
   33   HG12  ILE   5          HG12      ILE   5  38.269   7.375   2.479
   34   HG13  ILE   5          HG11      ILE   5  37.733   5.798   1.904
   35   HG21  ILE   5          HG21      ILE   5  36.815   9.402  -0.176
   36   HG22  ILE   5          HG22      ILE   5  38.409   8.708  -0.452
   37   HG23  ILE   5          HG23      ILE   5  37.990   9.349   1.137
   38   HD11  ILE   5           HD1      ILE   5  39.978   7.515   0.841
   39   HD12  ILE   5           HD2      ILE   5  39.260   6.241  -0.145
   40   HD13  ILE   5           HD3      ILE   5  40.042   5.839   1.383
   41    H    VAL   6           HN       VAL   6  34.767   6.278  -0.500
   42    HA   VAL   6           HA       VAL   6  33.664   8.279  -2.094
   43    HB   VAL   6           HB       VAL   6  32.706   5.416  -1.756
   44   HG11  VAL   6          HG11      VAL   6  32.112   7.540  -3.833
   45   HG12  VAL   6          HG12      VAL   6  30.957   6.641  -2.848
   46   HG13  VAL   6          HG13      VAL   6  31.849   5.820  -4.127
   47   HG21  VAL   6          HG21      VAL   6  34.152   4.907  -3.609
   48   HG22  VAL   6          HG22      VAL   6  35.123   5.823  -2.457
   49   HG23  VAL   6          HG23      VAL   6  34.487   6.615  -3.898
   50    H    LYS   7           HN       LYS   7  32.596   7.039   0.924
   51    HA   LYS   7           HA       LYS   7  29.816   7.665   0.667
   52    HB2  LYS   7           HB2      LYS   7  30.656   6.067   2.347
   53    HB3  LYS   7           HB1      LYS   7  31.515   7.377   3.158
   54    HG2  LYS   7           HG2      LYS   7  29.456   8.500   3.700
   55    HG3  LYS   7           HG1      LYS   7  28.525   7.404   2.679
   56    HD2  LYS   7           HD2      LYS   7  29.105   5.518   4.146
   57    HD3  LYS   7           HD1      LYS   7  30.073   6.592   5.157
   58    HE2  LYS   7           HE2      LYS   7  27.754   6.152   6.046
   59    HE3  LYS   7           HE1      LYS   7  28.121   7.860   5.799
   60    HZ1  LYS   7           HZ1      LYS   7  25.963   6.584   4.811
   61    HZ2  LYS   7           HZ2      LYS   7  27.022   6.551   3.482
   62    HZ3  LYS   7           HZ3      LYS   7  26.597   8.032   4.198
   63    H    LYS   8           HN       LYS   8  32.649   9.362   1.940
   64    HA   LYS   8           HA       LYS   8  31.262  11.616   2.960
   65    HB2  LYS   8           HB2      LYS   8  33.553  11.096   3.638
   66    HB3  LYS   8           HB1      LYS   8  34.117  11.350   1.986
   67    HG2  LYS   8           HG2      LYS   8  33.626  13.684   2.065
   68    HG3  LYS   8           HG1      LYS   8  32.668  13.511   3.535
   69    HD2  LYS   8           HD2      LYS   8  34.922  14.472   3.984
   70    HD3  LYS   8           HD1      LYS   8  34.668  12.939   4.818
   71    HE2  LYS   8           HE2      LYS   8  36.916  13.253   3.583
   72    HE3  LYS   8           HE1      LYS   8  36.042  11.752   3.292
   73    HZ1  LYS   8           HZ1      LYS   8  35.587  14.093   1.564
   74    HZ2  LYS   8           HZ2      LYS   8  35.362  12.445   1.216
   75    HZ3  LYS   8           HZ3      LYS   8  36.930  13.092   1.300
   76    H    VAL   9           HN       VAL   9  32.604  10.829  -0.205
   77    HA   VAL   9           HA       VAL   9  32.472  13.344  -1.416
   78    HB   VAL   9           HB       VAL   9  31.893  10.674  -2.734
   79   HG11  VAL   9          HG11      VAL   9  32.843  11.902  -4.735
   80   HG12  VAL   9          HG12      VAL   9  32.748  13.385  -3.784
   81   HG13  VAL   9          HG13      VAL   9  31.277  12.498  -4.184
   82   HG21  VAL   9          HG21      VAL   9  34.271  10.554  -3.175
   83   HG22  VAL   9          HG22      VAL   9  34.059  10.802  -1.442
   84   HG23  VAL   9          HG23      VAL   9  34.529  12.152  -2.476
   85    H    VAL  10           HN       VAL  10  30.068  10.730  -1.811
   86    HA   VAL  10           HA       VAL  10  28.077  12.466  -2.866
   87    HB   VAL  10           HB       VAL  10  26.528  10.554  -2.528
   88   HG11  VAL  10          HG11      VAL  10  28.057  10.664  -4.499
   89   HG12  VAL  10          HG12      VAL  10  27.674   9.008  -4.028
   90   HG13  VAL  10          HG13      VAL  10  29.236   9.708  -3.602
   91   HG21  VAL  10          HG21      VAL  10  27.333   9.689  -0.416
   92   HG22  VAL  10          HG22      VAL  10  28.936   9.398  -1.092
   93   HG23  VAL  10          HG23      VAL  10  27.564   8.428  -1.628
   94    H    GLY  11           HN       GLY  11  28.984  11.504   0.356
   95    HA2  GLY  11           HA1      GLY  11  26.600  12.121   1.717
   96    HA3  GLY  11           HA2      GLY  11  28.210  12.110   2.424
   97    H    ALA  12           HN       ALA  12  29.346  14.120   0.754
   98    HA   ALA  12           HA       ALA  12  28.460  16.455   2.168
   99    HB1  ALA  12           HB1      ALA  12  30.383  16.219  -0.150
  100    HB2  ALA  12           HB2      ALA  12  30.820  16.074   1.552
  101    HB3  ALA  12           HB3      ALA  12  30.209  17.605   0.925
  102    H    PHE  13           HN       PHE  13  28.075  15.194  -1.102
  103    HA   PHE  13           HA       PHE  13  27.007  17.481  -2.329
  104    HB2  PHE  13           HB2      PHE  13  27.707  15.487  -3.583
  105    HB3  PHE  13           HB1      PHE  13  26.376  14.571  -2.877
  106    HD1  PHE  13           HD1      PHE  13  24.158  14.712  -3.782
  107    HD2  PHE  13           HD2      PHE  13  27.186  17.536  -5.006
  108    HE1  PHE  13           HE1      PHE  13  22.641  15.567  -5.563
  109    HE2  PHE  13           HE2      PHE  13  25.668  18.391  -6.786
  110    HZ   PHE  13           HZ       PHE  13  23.367  17.459  -7.012
  111    H    GLY  14           HN       GLY  14  25.587  15.114  -0.192
  112    HA2  GLY  14           HA1      GLY  14  22.859  15.865  -0.690
  113    HA3  GLY  14           HA2      GLY  14  23.444  14.842   0.616
  114    H    SER  15           HN       SER  15  24.472  18.141  -0.123
  115    HA   SER  15           HA       SER  15  22.864  19.356   1.919
  116    HB2  SER  15           HB2      SER  15  25.801  18.904   2.489
  117    HB3  SER  15           HB1      SER  15  24.749  19.974   3.411
  118    HG   SER  15           HG       SER  15  25.106  17.548   3.971
  119    H    LEU  16           HN       LEU  16  26.085  19.721   0.412
  120    HA   LEU  16           HA       LEU  16  25.823  22.553   0.120
  121    HB2  LEU  16           HB2      LEU  16  27.706  20.814  -1.478
  122    HB3  LEU  16           HB1      LEU  16  27.935  22.479  -0.943
  123    HG   LEU  16           HG       LEU  16  27.846  20.014   0.823
  124   HD11  LEU  16          HD11      LEU  16  30.191  20.584   1.279
  125   HD12  LEU  16          HD12      LEU  16  30.074  21.981   0.207
  126   HD13  LEU  16          HD13      LEU  16  29.946  20.350  -0.452
  127   HD21  LEU  16          HD21      LEU  16  27.974  22.974   1.466
  128   HD22  LEU  16          HD22      LEU  16  28.530  21.745   2.602
  129   HD23  LEU  16          HD23      LEU  16  26.844  21.773   2.094
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  39.913   0.278   3.552
    2    H2   GLY   1           HT2      GLY   1  39.736   1.827   2.878
    3    H3   GLY   1           HT3      GLY   1  40.773   0.693   2.152
    4    HA2  GLY   1           HA1      GLY   1  38.983  -0.679   1.546
    5    HA3  GLY   1           HA2      GLY   1  37.870   0.356   2.434
    6    H    LEU   2           HN       LEU   2  36.599   1.133   0.886
    7    HA   LEU   2           HA       LEU   2  37.624   3.148  -0.869
    8    HB2  LEU   2           HB2      LEU   2  37.152   2.157  -2.987
    9    HB3  LEU   2           HB1      LEU   2  38.151   1.003  -2.110
   10    HG   LEU   2           HG       LEU   2  35.144   0.886  -2.508
   11   HD11  LEU   2          HD11      LEU   2  35.699  -1.235  -3.646
   12   HD12  LEU   2          HD12      LEU   2  37.412  -0.944  -3.345
   13   HD13  LEU   2          HD13      LEU   2  36.510   0.133  -4.409
   14   HD21  LEU   2          HD21      LEU   2  35.454  -1.369  -1.281
   15   HD22  LEU   2          HD22      LEU   2  35.472   0.082  -0.287
   16   HD23  LEU   2          HD23      LEU   2  36.989  -0.712  -0.709
   17    H    PHE   3           HN       PHE   3  35.294   1.780   0.985
   18    HA   PHE   3           HA       PHE   3  33.020   3.109  -0.374
   19    HB2  PHE   3           HB2      PHE   3  33.176   1.083   1.872
   20    HB3  PHE   3           HB1      PHE   3  31.683   1.914   1.440
   21    HD1  PHE   3           HD1      PHE   3  31.147   1.927  -1.194
   22    HD2  PHE   3           HD2      PHE   3  33.600  -0.998   0.827
   23    HE1  PHE   3           HE1      PHE   3  30.752   0.311  -3.047
   24    HE2  PHE   3           HE2      PHE   3  33.202  -2.610  -1.029
   25    HZ   PHE   3           HZ       PHE   3  31.831  -1.933  -2.996
   26    H    ASP   4           HN       ASP   4  34.823   3.030   2.675
   27    HA   ASP   4           HA       ASP   4  33.263   4.907   4.082
   28    HB2  ASP   4           HB2      ASP   4  35.327   5.225   5.463
   29    HB3  ASP   4           HB1      ASP   4  34.869   3.534   5.254
   30    H    ILE   5           HN       ILE   5  35.958   5.293   1.834
   31    HA   ILE   5           HA       ILE   5  36.241   8.117   2.265
   32    HB   ILE   5           HB       ILE   5  37.133   6.587  -0.194
   33   HG12  ILE   5          HG12      ILE   5  38.463   6.833   2.525
   34   HG13  ILE   5          HG11      ILE   5  37.896   5.348   1.766
   35   HG21  ILE   5          HG21      ILE   5  38.767   8.320  -0.406
   36   HG22  ILE   5          HG22      ILE   5  38.438   8.929   1.216
   37   HG23  ILE   5          HG23      ILE   5  37.248   9.146  -0.066
   38   HD11  ILE   5           HD1      ILE   5  40.236   7.084   0.968
   39   HD12  ILE   5           HD2      ILE   5  39.515   5.941  -0.167
   40   HD13  ILE   5           HD3      ILE   5  40.226   5.361   1.338
   41    H    VAL   6           HN       VAL   6  34.746   6.134  -0.294
   42    HA   VAL   6           HA       VAL   6  33.827   8.288  -1.869
   43    HB   VAL   6           HB       VAL   6  32.682   5.489  -1.590
   44   HG11  VAL   6          HG11      VAL   6  32.179   7.714  -3.584
   45   HG12  VAL   6          HG12      VAL   6  30.993   6.864  -2.596
   46   HG13  VAL   6          HG13      VAL   6  31.793   6.028  -3.925
   47   HG21  VAL   6          HG21      VAL   6  34.479   6.625  -3.752
   48   HG22  VAL   6          HG22      VAL   6  34.045   4.936  -3.489
   49   HG23  VAL   6          HG23      VAL   6  35.105   5.763  -2.348
   50    H    LYS   7           HN       LYS   7  32.634   6.861   1.064
   51    HA   LYS   7           HA       LYS   7  29.941   7.722   0.923
   52    HB2  LYS   7           HB2      LYS   7  30.747   6.061   2.562
   53    HB3  LYS   7           HB1      LYS   7  31.677   7.322   3.373
   54    HG2  LYS   7           HG2      LYS   7  29.683   8.521   3.975
   55    HG3  LYS   7           HG1      LYS   7  28.683   7.494   2.947
   56    HD2  LYS   7           HD2      LYS   7  29.120   5.565   4.363
   57    HD3  LYS   7           HD1      LYS   7  30.254   6.497   5.341
   58    HE2  LYS   7           HE2      LYS   7  27.320   7.186   5.022
   59    HE3  LYS   7           HE1      LYS   7  27.984   6.290   6.388
   60    HZ1  LYS   7           HZ1      LYS   7  29.613   8.414   6.282
   61    HZ2  LYS   7           HZ2      LYS   7  28.235   8.317   7.270
   62    HZ3  LYS   7           HZ3      LYS   7  28.153   9.109   5.769
   63    H    LYS   8           HN       LYS   8  32.907   9.284   2.019
   64    HA   LYS   8           HA       LYS   8  31.693  11.575   3.176
   65    HB2  LYS   8           HB2      LYS   8  34.055  10.856   3.568
   66    HB3  LYS   8           HB1      LYS   8  34.440  11.361   1.923
   67    HG2  LYS   8           HG2      LYS   8  33.814  13.652   2.416
   68    HG3  LYS   8           HG1      LYS   8  33.231  13.190   4.016
   69    HD2  LYS   8           HD2      LYS   8  35.483  12.552   4.699
   70    HD3  LYS   8           HD1      LYS   8  36.097  12.876   3.078
   71    HE2  LYS   8           HE2      LYS   8  35.509  15.244   3.300
   72    HE3  LYS   8           HE1      LYS   8  34.817  14.942   4.893
   73    HZ1  LYS   8           HZ1      LYS   8  37.525  15.372   4.174
   74    HZ2  LYS   8           HZ2      LYS   8  37.357  13.871   4.952
   75    HZ3  LYS   8           HZ3      LYS   8  36.828  15.292   5.719
   76    H    VAL   9           HN       VAL   9  33.062  10.950  -0.047
   77    HA   VAL   9           HA       VAL   9  32.752  13.456  -1.189
   78    HB   VAL   9           HB       VAL   9  32.252  10.807  -2.580
   79   HG11  VAL   9          HG11      VAL   9  31.562  12.666  -3.958
   80   HG12  VAL   9          HG12      VAL   9  33.128  12.119  -4.555
   81   HG13  VAL   9          HG13      VAL   9  33.022  13.570  -3.558
   82   HG21  VAL   9          HG21      VAL   9  34.669  10.925  -3.137
   83   HG22  VAL   9          HG22      VAL   9  34.410  10.811  -1.396
   84   HG23  VAL   9          HG23      VAL   9  34.821  12.363  -2.126
   85    H    VAL  10           HN       VAL  10  30.436  10.751  -1.485
   86    HA   VAL  10           HA       VAL  10  28.360  12.256  -2.631
   87    HB   VAL  10           HB       VAL  10  28.047   9.814  -0.862
   88   HG11  VAL  10          HG11      VAL  10  25.927  10.885  -1.318
   89   HG12  VAL  10          HG12      VAL  10  26.045   9.466  -2.357
   90   HG13  VAL  10          HG13      VAL  10  26.334  11.073  -3.023
   91   HG21  VAL  10          HG21      VAL  10  29.674   9.347  -2.619
   92   HG22  VAL  10          HG22      VAL  10  28.614  10.067  -3.833
   93   HG23  VAL  10          HG23      VAL  10  28.147   8.566  -3.032
   94    H    GLY  11           HN       GLY  11  29.277  11.711   0.718
   95    HA2  GLY  11           HA1      GLY  11  27.012  12.507   2.072
   96    HA3  GLY  11           HA2      GLY  11  28.651  12.786   2.644
   97    H    ALA  12           HN       ALA  12  29.289  14.472   0.296
   98    HA   ALA  12           HA       ALA  12  28.537  16.983   1.410
   99    HB1  ALA  12           HB1      ALA  12  29.778  17.956  -0.385
  100    HB2  ALA  12           HB2      ALA  12  29.655  16.482  -1.346
  101    HB3  ALA  12           HB3      ALA  12  30.641  16.502   0.116
  102    H    PHE  13           HN       PHE  13  27.560  15.249  -1.543
  103    HA   PHE  13           HA       PHE  13  25.618  17.261  -2.275
  104    HB2  PHE  13           HB2      PHE  13  26.102  14.460  -3.321
  105    HB3  PHE  13           HB1      PHE  13  24.991  15.629  -4.037
  106    HD1  PHE  13           HD1      PHE  13  28.501  14.663  -3.608
  107    HD2  PHE  13           HD2      PHE  13  25.847  17.761  -5.019
  108    HE1  PHE  13           HE1      PHE  13  30.386  15.709  -4.858
  109    HE2  PHE  13           HE2      PHE  13  27.731  18.806  -6.269
  110    HZ   PHE  13           HZ       PHE  13  30.018  17.828  -6.116
  111    H    GLY  14           HN       GLY  14  25.603  15.302   0.254
  112    HA2  GLY  14           HA1      GLY  14  23.142  13.904   0.075
  113    HA3  GLY  14           HA2      GLY  14  24.009  14.287   1.555
  114    H    SER  15           HN       SER  15  23.564  17.115  -0.113
  115    HA   SER  15           HA       SER  15  20.837  17.691   0.565
  116    HB2  SER  15           HB2      SER  15  22.989  18.951   2.280
  117    HB3  SER  15           HB1      SER  15  21.266  19.317   2.336
  118    HG   SER  15           HG       SER  15  20.902  17.479   3.342
  119    H    LEU  16           HN       LEU  16  20.797  18.430  -1.574
  120    HA   LEU  16           HA       LEU  16  21.426  21.178  -1.925
  121    HB2  LEU  16           HB2      LEU  16  23.697  20.465  -2.241
  122    HB3  LEU  16           HB1      LEU  16  23.202  19.152  -3.303
  123    HG   LEU  16           HG       LEU  16  22.552  20.694  -5.042
  124   HD11  LEU  16          HD11      LEU  16  22.940  23.210  -4.615
  125   HD12  LEU  16          HD12      LEU  16  22.947  22.796  -2.901
  126   HD13  LEU  16          HD13      LEU  16  21.511  22.488  -3.878
  127   HD21  LEU  16          HD21      LEU  16  24.961  20.207  -4.873
  128   HD22  LEU  16          HD22      LEU  16  25.169  21.581  -3.788
  129   HD23  LEU  16          HD23      LEU  16  24.699  21.847  -5.466
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  38.865  -1.046   2.875
    2    H2   GLY   1           HT2      GLY   1  38.498  -0.266   1.410
    3    H3   GLY   1           HT3      GLY   1  37.256  -0.949   2.350
    4    HA2  GLY   1           HA1      GLY   1  37.224   0.702   3.817
    5    HA3  GLY   1           HA2      GLY   1  38.936   1.035   3.601
    6    H    LEU   2           HN       LEU   2  38.313   0.887   0.576
    7    HA   LEU   2           HA       LEU   2  38.213   3.650   0.116
    8    HB2  LEU   2           HB2      LEU   2  38.138   3.140  -2.197
    9    HB3  LEU   2           HB1      LEU   2  39.060   1.836  -1.461
   10    HG   LEU   2           HG       LEU   2  36.147   1.741  -2.322
   11   HD11  LEU   2          HD11      LEU   2  36.956   0.034  -3.877
   12   HD12  LEU   2          HD12      LEU   2  38.590   0.196  -3.236
   13   HD13  LEU   2          HD13      LEU   2  37.851   1.535  -4.113
   14   HD21  LEU   2          HD21      LEU   2  37.848  -0.229  -0.765
   15   HD22  LEU   2          HD22      LEU   2  36.400  -0.719  -1.643
   16   HD23  LEU   2          HD23      LEU   2  36.276   0.429  -0.314
   17    H    PHE   3           HN       PHE   3  35.768   1.751   1.256
   18    HA   PHE   3           HA       PHE   3  33.568   3.018  -0.188
   19    HB2  PHE   3           HB2      PHE   3  33.399   0.659   0.539
   20    HB3  PHE   3           HB1      PHE   3  33.536   1.177   2.219
   21    HD1  PHE   3           HD1      PHE   3  31.383   1.148  -0.785
   22    HD2  PHE   3           HD2      PHE   3  31.718   2.389   3.334
   23    HE1  PHE   3           HE1      PHE   3  28.935   1.605  -0.724
   24    HE2  PHE   3           HE2      PHE   3  29.270   2.847   3.396
   25    HZ   PHE   3           HZ       PHE   3  27.895   2.535   1.341
   26    H    ASP   4           HN       ASP   4  35.348   3.382   2.779
   27    HA   ASP   4           HA       ASP   4  33.448   4.986   4.173
   28    HB2  ASP   4           HB2      ASP   4  36.450   4.708   4.439
   29    HB3  ASP   4           HB1      ASP   4  35.454   5.670   5.534
   30    H    ILE   5           HN       ILE   5  36.054   5.666   1.903
   31    HA   ILE   5           HA       ILE   5  35.932   8.520   2.214
   32    HB   ILE   5           HB       ILE   5  37.053   7.025  -0.174
   33   HG12  ILE   5          HG12      ILE   5  38.329   7.587   2.525
   34   HG13  ILE   5          HG11      ILE   5  37.966   6.000   1.850
   35   HG21  ILE   5          HG21      ILE   5  36.799   9.579  -0.153
   36   HG22  ILE   5          HG22      ILE   5  38.417   8.962  -0.468
   37   HG23  ILE   5          HG23      ILE   5  38.008   9.587   1.130
   38   HD11  ILE   5           HD1      ILE   5  39.486   6.704  -0.128
   39   HD12  ILE   5           HD2      ILE   5  40.273   6.306   1.400
   40   HD13  ILE   5           HD3      ILE   5  40.047   7.992   0.940
   41    H    VAL   6           HN       VAL   6  34.926   6.294  -0.397
   42    HA   VAL   6           HA       VAL   6  33.686   8.136  -2.061
   43    HB   VAL   6           HB       VAL   6  32.892   5.256  -1.518
   44   HG11  VAL   6          HG11      VAL   6  31.891   5.471  -3.863
   45   HG12  VAL   6          HG12      VAL   6  32.043   7.216  -3.665
   46   HG13  VAL   6          HG13      VAL   6  31.009   6.292  -2.576
   47   HG21  VAL   6          HG21      VAL   6  35.240   5.787  -2.385
   48   HG22  VAL   6          HG22      VAL   6  34.464   6.417  -3.836
   49   HG23  VAL   6          HG23      VAL   6  34.276   4.718  -3.403
   50    H    LYS   7           HN       LYS   7  32.674   6.917   1.016
   51    HA   LYS   7           HA       LYS   7  29.891   7.533   0.766
   52    HB2  LYS   7           HB2      LYS   7  30.891   5.941   2.447
   53    HB3  LYS   7           HB1      LYS   7  31.510   7.347   3.314
   54    HG2  LYS   7           HG2      LYS   7  29.226   8.220   3.564
   55    HG3  LYS   7           HG1      LYS   7  28.591   6.841   2.667
   56    HD2  LYS   7           HD2      LYS   7  29.651   5.344   4.421
   57    HD3  LYS   7           HD1      LYS   7  29.976   6.802   5.359
   58    HE2  LYS   7           HE2      LYS   7  27.872   5.802   6.104
   59    HE3  LYS   7           HE1      LYS   7  27.546   7.343   5.308
   60    HZ1  LYS   7           HZ1      LYS   7  26.064   5.511   4.602
   61    HZ2  LYS   7           HZ2      LYS   7  27.411   4.706   3.951
   62    HZ3  LYS   7           HZ3      LYS   7  26.929   6.209   3.321
   63    H    LYS   8           HN       LYS   8  32.734   9.269   1.936
   64    HA   LYS   8           HA       LYS   8  31.317  11.499   3.005
   65    HB2  LYS   8           HB2      LYS   8  34.181  11.188   2.079
   66    HB3  LYS   8           HB1      LYS   8  33.557  12.623   2.894
   67    HG2  LYS   8           HG2      LYS   8  32.888  11.231   4.826
   68    HG3  LYS   8           HG1      LYS   8  33.538   9.805   4.016
   69    HD2  LYS   8           HD2      LYS   8  35.771  10.958   3.925
   70    HD3  LYS   8           HD1      LYS   8  35.087  12.249   4.913
   71    HE2  LYS   8           HE2      LYS   8  36.219  10.698   6.389
   72    HE3  LYS   8           HE1      LYS   8  34.482  10.519   6.634
   73    HZ1  LYS   8           HZ1      LYS   8  34.733   8.383   6.165
   74    HZ2  LYS   8           HZ2      LYS   8  36.365   8.600   5.740
   75    HZ3  LYS   8           HZ3      LYS   8  35.146   8.807   4.574
   76    H    VAL   9           HN       VAL   9  32.534  10.664  -0.174
   77    HA   VAL   9           HA       VAL   9  32.417  13.223  -1.361
   78    HB   VAL   9           HB       VAL   9  31.932  10.558  -2.724
   79   HG11  VAL   9          HG11      VAL   9  32.814  13.286  -3.707
   80   HG12  VAL   9          HG12      VAL   9  31.342  12.421  -4.149
   81   HG13  VAL   9          HG13      VAL   9  32.912  11.817  -4.678
   82   HG21  VAL   9          HG21      VAL   9  34.346  10.532  -3.130
   83   HG22  VAL   9          HG22      VAL   9  34.046  10.617  -1.395
   84   HG23  VAL   9          HG23      VAL   9  34.530  12.065  -2.279
   85    H    VAL  10           HN       VAL  10  30.079  10.533  -1.626
   86    HA   VAL  10           HA       VAL  10  28.062  12.078  -2.871
   87    HB   VAL  10           HB       VAL  10  26.533  10.219  -2.244
   88   HG11  VAL  10          HG11      VAL  10  29.229   9.199  -3.178
   89   HG12  VAL  10          HG12      VAL  10  28.112  10.090  -4.209
   90   HG13  VAL  10          HG13      VAL  10  27.646   8.519  -3.554
   91   HG21  VAL  10          HG21      VAL  10  27.357   9.675  -0.039
   92   HG22  VAL  10          HG22      VAL  10  28.963   9.315  -0.671
   93   HG23  VAL  10          HG23      VAL  10  27.606   8.257  -1.056
   94    H    GLY  11           HN       GLY  11  28.944  11.570   0.470
   95    HA2  GLY  11           HA1      GLY  11  26.530  12.430   1.669
   96    HA3  GLY  11           HA2      GLY  11  28.113  12.409   2.435
   97    H    ALA  12           HN       ALA  12  29.502  14.167   0.795
   98    HA   ALA  12           HA       ALA  12  28.926  16.646   1.906
   99    HB1  ALA  12           HB1      ALA  12  31.078  16.115   0.883
  100    HB2  ALA  12           HB2      ALA  12  30.401  17.580   0.170
  101    HB3  ALA  12           HB3      ALA  12  30.320  16.053  -0.709
  102    H    PHE  13           HN       PHE  13  27.938  15.321  -1.235
  103    HA   PHE  13           HA       PHE  13  26.656  17.601  -2.240
  104    HB2  PHE  13           HB2      PHE  13  27.166  15.581  -3.580
  105    HB3  PHE  13           HB1      PHE  13  25.901  14.716  -2.708
  106    HD1  PHE  13           HD1      PHE  13  26.573  17.597  -4.980
  107    HD2  PHE  13           HD2      PHE  13  23.572  15.025  -3.244
  108    HE1  PHE  13           HE1      PHE  13  24.869  18.532  -6.540
  109    HE2  PHE  13           HE2      PHE  13  21.869  15.959  -4.806
  110    HZ   PHE  13           HZ       PHE  13  22.503  17.762  -6.405
  111    H    GLY  14           HN       GLY  14  24.937  14.762  -1.149
  112    HA2  GLY  14           HA1      GLY  14  23.108  14.500   0.233
  113    HA3  GLY  14           HA2      GLY  14  23.309  16.171   0.745
  114    H    SER  15           HN       SER  15  22.708  17.818  -1.012
  115    HA   SER  15           HA       SER  15  20.785  17.044  -2.986
  116    HB2  SER  15           HB2      SER  15  18.838  18.182  -1.912
  117    HB3  SER  15           HB1      SER  15  19.338  16.713  -1.079
  118    HG   SER  15           HG       SER  15  20.297  17.930   0.484
  119    H    LEU  16           HN       LEU  16  22.894  19.188  -1.548
  120    HA   LEU  16           HA       LEU  16  21.871  21.674  -2.522
  121    HB2  LEU  16           HB2      LEU  16  24.785  21.077  -1.991
  122    HB3  LEU  16           HB1      LEU  16  23.934  22.614  -1.832
  123    HG   LEU  16           HG       LEU  16  23.561  20.153  -0.100
  124   HD11  LEU  16          HD11      LEU  16  24.621  22.935   0.486
  125   HD12  LEU  16          HD12      LEU  16  25.585  21.462   0.390
  126   HD13  LEU  16          HD13      LEU  16  24.400  21.656   1.681
  127   HD21  LEU  16          HD21      LEU  16  21.395  21.142  -0.278
  128   HD22  LEU  16          HD22      LEU  16  22.052  22.779  -0.244
  129   HD23  LEU  16          HD23      LEU  16  22.063  21.791   1.217
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  39.856  -0.277   2.571
    2    H2   GLY   1           HT2      GLY   1  41.270   0.596   2.213
    3    H3   GLY   1           HT3      GLY   1  40.276   0.027   0.957
    4    HA2  GLY   1           HA1      GLY   1  38.648   1.507   2.562
    5    HA3  GLY   1           HA2      GLY   1  40.143   2.421   2.409
    6    H    LEU   2           HN       LEU   2  37.187   1.869   1.061
    7    HA   LEU   2           HA       LEU   2  37.769   3.458  -1.249
    8    HB2  LEU   2           HB2      LEU   2  36.852   1.610  -2.844
    9    HB3  LEU   2           HB1      LEU   2  38.540   1.532  -2.356
   10    HG   LEU   2           HG       LEU   2  37.927  -0.081  -0.559
   11   HD11  LEU   2          HD11      LEU   2  35.663   0.328  -0.034
   12   HD12  LEU   2          HD12      LEU   2  35.578  -1.174  -0.946
   13   HD13  LEU   2          HD13      LEU   2  35.172   0.355  -1.727
   14   HD21  LEU   2          HD21      LEU   2  36.980  -0.891  -3.325
   15   HD22  LEU   2          HD22      LEU   2  37.566  -1.975  -2.064
   16   HD23  LEU   2          HD23      LEU   2  38.668  -0.823  -2.817
   17    H    PHE   3           HN       PHE   3  35.832   2.361   1.124
   18    HA   PHE   3           HA       PHE   3  33.307   3.147  -0.247
   19    HB2  PHE   3           HB2      PHE   3  33.331   0.820   0.615
   20    HB3  PHE   3           HB1      PHE   3  33.665   1.442   2.231
   21    HD1  PHE   3           HD1      PHE   3  31.141   1.119  -0.438
   22    HD2  PHE   3           HD2      PHE   3  31.971   2.727   3.482
   23    HE1  PHE   3           HE1      PHE   3  28.706   1.516  -0.084
   24    HE2  PHE   3           HE2      PHE   3  29.537   3.122   3.834
   25    HZ   PHE   3           HZ       PHE   3  27.905   2.527   2.048
   26    H    ASP   4           HN       ASP   4  35.126   3.335   2.807
   27    HA   ASP   4           HA       ASP   4  33.453   5.169   4.121
   28    HB2  ASP   4           HB2      ASP   4  35.286   3.894   5.217
   29    HB3  ASP   4           HB1      ASP   4  36.459   4.908   4.376
   30    H    ILE   5           HN       ILE   5  36.015   5.604   1.757
   31    HA   ILE   5           HA       ILE   5  36.187   8.450   2.024
   32    HB   ILE   5           HB       ILE   5  36.942   6.844  -0.435
   33   HG12  ILE   5          HG12      ILE   5  38.535   7.294   2.114
   34   HG13  ILE   5          HG11      ILE   5  37.898   5.748   1.555
   35   HG21  ILE   5          HG21      ILE   5  38.470   8.627  -0.862
   36   HG22  ILE   5          HG22      ILE   5  38.267   9.292   0.759
   37   HG23  ILE   5          HG23      ILE   5  36.955   9.411  -0.413
   38   HD11  ILE   5           HD1      ILE   5  39.264   6.176  -0.604
   39   HD12  ILE   5           HD2      ILE   5  40.159   5.731   0.849
   40   HD13  ILE   5           HD3      ILE   5  40.102   7.414   0.334
   41    H    VAL   6           HN       VAL   6  34.733   6.320  -0.444
   42    HA   VAL   6           HA       VAL   6  33.524   8.304  -1.995
   43    HB   VAL   6           HB       VAL   6  32.487   5.504  -1.450
   44   HG11  VAL   6          HG11      VAL   6  30.754   6.801  -2.489
   45   HG12  VAL   6          HG12      VAL   6  31.495   5.841  -3.768
   46   HG13  VAL   6          HG13      VAL   6  31.898   7.550  -3.604
   47   HG21  VAL   6          HG21      VAL   6  34.208   6.499  -3.739
   48   HG22  VAL   6          HG22      VAL   6  33.774   4.829  -3.376
   49   HG23  VAL   6          HG23      VAL   6  34.868   5.708  -2.309
   50    H    LYS   7           HN       LYS   7  32.505   6.783   0.998
   51    HA   LYS   7           HA       LYS   7  29.822   7.584   1.062
   52    HB2  LYS   7           HB2      LYS   7  30.856   5.994   2.664
   53    HB3  LYS   7           HB1      LYS   7  31.729   7.337   3.402
   54    HG2  LYS   7           HG2      LYS   7  29.657   8.410   4.053
   55    HG3  LYS   7           HG1      LYS   7  28.711   7.218   3.162
   56    HD2  LYS   7           HD2      LYS   7  29.615   5.434   4.646
   57    HD3  LYS   7           HD1      LYS   7  30.469   6.669   5.571
   58    HE2  LYS   7           HE2      LYS   7  28.369   7.731   6.188
   59    HE3  LYS   7           HE1      LYS   7  27.466   6.625   5.151
   60    HZ1  LYS   7           HZ1      LYS   7  29.152   5.224   6.969
   61    HZ2  LYS   7           HZ2      LYS   7  27.477   5.081   6.722
   62    HZ3  LYS   7           HZ3      LYS   7  28.083   6.251   7.795
   63    H    LYS   8           HN       LYS   8  32.780   9.317   1.894
   64    HA   LYS   8           HA       LYS   8  31.484  11.568   3.079
   65    HB2  LYS   8           HB2      LYS   8  34.240  11.301   1.854
   66    HB3  LYS   8           HB1      LYS   8  33.682  12.673   2.812
   67    HG2  LYS   8           HG2      LYS   8  33.407  11.307   4.769
   68    HG3  LYS   8           HG1      LYS   8  33.637   9.826   3.840
   69    HD2  LYS   8           HD2      LYS   8  35.674  10.449   5.119
   70    HD3  LYS   8           HD1      LYS   8  35.961  10.430   3.381
   71    HE2  LYS   8           HE2      LYS   8  36.854  12.460   4.741
   72    HE3  LYS   8           HE1      LYS   8  35.995  12.789   3.237
   73    HZ1  LYS   8           HZ1      LYS   8  35.370  14.014   5.445
   74    HZ2  LYS   8           HZ2      LYS   8  34.448  12.614   5.720
   75    HZ3  LYS   8           HZ3      LYS   8  34.170  13.559   4.336
   76    H    VAL   9           HN       VAL   9  32.466  10.727  -0.193
   77    HA   VAL   9           HA       VAL   9  32.161  13.283  -1.363
   78    HB   VAL   9           HB       VAL   9  31.735  10.583  -2.680
   79   HG11  VAL   9          HG11      VAL   9  30.897  12.360  -4.077
   80   HG12  VAL   9          HG12      VAL   9  32.476  11.901  -4.713
   81   HG13  VAL   9          HG13      VAL   9  32.309  13.363  -3.741
   82   HG21  VAL   9          HG21      VAL   9  34.252  12.271  -2.549
   83   HG22  VAL   9          HG22      VAL   9  34.088  10.657  -3.240
   84   HG23  VAL   9          HG23      VAL   9  33.951  10.889  -1.496
   85    H    VAL  10           HN       VAL  10  29.953  10.481  -1.578
   86    HA   VAL  10           HA       VAL  10  27.785  11.868  -2.676
   87    HB   VAL  10           HB       VAL  10  27.631   9.472  -0.822
   88   HG11  VAL  10          HG11      VAL  10  25.453  10.445  -1.198
   89   HG12  VAL  10          HG12      VAL  10  25.577   9.015  -2.221
   90   HG13  VAL  10          HG13      VAL  10  25.773  10.620  -2.924
   91   HG21  VAL  10          HG21      VAL  10  27.804   8.116  -2.845
   92   HG22  VAL  10          HG22      VAL  10  29.212   9.173  -2.745
   93   HG23  VAL  10          HG23      VAL  10  27.891   9.566  -3.846
   94    H    GLY  11           HN       GLY  11  28.778  11.420   0.675
   95    HA2  GLY  11           HA1      GLY  11  26.433  12.399   1.903
   96    HA3  GLY  11           HA2      GLY  11  28.031  12.340   2.635
   97    H    ALA  12           HN       ALA  12  29.440  14.016   0.931
   98    HA   ALA  12           HA       ALA  12  28.734  16.569   1.958
   99    HB1  ALA  12           HB1      ALA  12  30.637  15.833  -0.271
  100    HB2  ALA  12           HB2      ALA  12  31.045  15.963   1.441
  101    HB3  ALA  12           HB3      ALA  12  30.560  17.399   0.537
  102    H    PHE  13           HN       PHE  13  27.156  14.861  -0.295
  103    HA   PHE  13           HA       PHE  13  25.696  15.361  -1.998
  104    HB2  PHE  13           HB2      PHE  13  25.745  18.186  -0.927
  105    HB3  PHE  13           HB1      PHE  13  24.427  17.359  -1.759
  106    HD1  PHE  13           HD1      PHE  13  26.082  17.925   1.444
  107    HD2  PHE  13           HD2      PHE  13  23.246  15.428  -0.643
  108    HE1  PHE  13           HE1      PHE  13  25.212  17.091   3.624
  109    HE2  PHE  13           HE2      PHE  13  22.377  14.595   1.538
  110    HZ   PHE  13           HZ       PHE  13  23.418  15.363   3.667
  111    H    GLY  14           HN       GLY  14  28.723  16.052  -2.161
  112    HA2  GLY  14           HA1      GLY  14  29.058  18.218  -3.916
  113    HA3  GLY  14           HA2      GLY  14  30.159  16.857  -3.753
  114    H    SER  15           HN       SER  15  28.028  14.929  -4.470
  115    HA   SER  15           HA       SER  15  28.459  14.939  -7.303
  116    HB2  SER  15           HB2      SER  15  26.637  13.212  -5.612
  117    HB3  SER  15           HB1      SER  15  27.074  12.905  -7.291
  118    HG   SER  15           HG       SER  15  28.369  12.141  -5.163
  119    H    LEU  16           HN       LEU  16  25.685  15.584  -5.194
  120    HA   LEU  16           HA       LEU  16  23.844  16.005  -7.360
  121    HB2  LEU  16           HB2      LEU  16  23.507  17.068  -4.554
  122    HB3  LEU  16           HB1      LEU  16  22.261  16.557  -5.692
  123    HG   LEU  16           HG       LEU  16  24.280  14.769  -4.302
  124   HD11  LEU  16          HD11      LEU  16  22.365  13.863  -3.144
  125   HD12  LEU  16          HD12      LEU  16  21.255  14.817  -4.130
  126   HD13  LEU  16          HD13      LEU  16  22.313  15.618  -2.968
  127   HD21  LEU  16          HD21      LEU  16  22.848  12.943  -5.413
  128   HD22  LEU  16          HD22      LEU  16  23.945  13.825  -6.472
  129   HD23  LEU  16          HD23      LEU  16  22.225  14.218  -6.462
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  40.103   2.206   3.943
    2    H2   GLY   1           HT2      GLY   1  39.817   1.710   2.344
    3    H3   GLY   1           HT3      GLY   1  39.570   0.629   3.630
    4    HA2  GLY   1           HA1      GLY   1  37.497   1.217   3.675
    5    HA3  GLY   1           HA2      GLY   1  38.048   2.790   4.236
    6    H    LEU   2           HN       LEU   2  38.439   1.214   1.082
    7    HA   LEU   2           HA       LEU   2  38.137   3.380  -0.552
    8    HB2  LEU   2           HB2      LEU   2  38.730   1.220  -1.445
    9    HB3  LEU   2           HB1      LEU   2  37.182   0.536  -0.961
   10    HG   LEU   2           HG       LEU   2  36.006   1.944  -2.577
   11   HD11  LEU   2          HD11      LEU   2  38.762   3.134  -2.988
   12   HD12  LEU   2          HD12      LEU   2  37.251   3.974  -2.641
   13   HD13  LEU   2          HD13      LEU   2  37.514   3.259  -4.228
   14   HD21  LEU   2          HD21      LEU   2  37.057  -0.236  -3.282
   15   HD22  LEU   2          HD22      LEU   2  38.426   0.687  -3.900
   16   HD23  LEU   2          HD23      LEU   2  36.825   0.909  -4.603
   17    H    PHE   3           HN       PHE   3  35.571   1.527   1.004
   18    HA   PHE   3           HA       PHE   3  33.443   3.007  -0.309
   19    HB2  PHE   3           HB2      PHE   3  33.445   0.985   1.945
   20    HB3  PHE   3           HB1      PHE   3  31.986   1.713   1.273
   21    HD1  PHE   3           HD1      PHE   3  31.111   1.036  -0.879
   22    HD2  PHE   3           HD2      PHE   3  34.921  -0.445   0.509
   23    HE1  PHE   3           HE1      PHE   3  31.135  -0.636  -2.726
   24    HE2  PHE   3           HE2      PHE   3  34.943  -2.117  -1.339
   25    HZ   PHE   3           HZ       PHE   3  33.058  -2.201  -2.967
   26    H    ASP   4           HN       ASP   4  35.309   3.120   2.604
   27    HA   ASP   4           HA       ASP   4  33.572   4.767   4.149
   28    HB2  ASP   4           HB2      ASP   4  35.531   3.438   5.034
   29    HB3  ASP   4           HB1      ASP   4  36.589   4.662   4.330
   30    H    ILE   5           HN       ILE   5  36.157   5.445   1.837
   31    HA   ILE   5           HA       ILE   5  36.132   8.287   2.269
   32    HB   ILE   5           HB       ILE   5  37.192   6.812  -0.162
   33   HG12  ILE   5          HG12      ILE   5  38.529   7.402   2.501
   34   HG13  ILE   5          HG11      ILE   5  38.114   5.807   1.881
   35   HG21  ILE   5          HG21      ILE   5  38.165   9.380   1.122
   36   HG22  ILE   5          HG22      ILE   5  36.968   9.365  -0.170
   37   HG23  ILE   5          HG23      ILE   5  38.585   8.738  -0.464
   38   HD11  ILE   5           HD1      ILE   5  39.597   6.437  -0.161
   39   HD12  ILE   5           HD2      ILE   5  40.408   6.029   1.351
   40   HD13  ILE   5           HD3      ILE   5  40.226   7.716   0.880
   41    H    VAL   6           HN       VAL   6  34.983   6.196  -0.393
   42    HA   VAL   6           HA       VAL   6  33.787   8.197  -1.935
   43    HB   VAL   6           HB       VAL   6  32.949   5.295  -1.636
   44   HG11  VAL   6          HG11      VAL   6  31.131   6.469  -2.669
   45   HG12  VAL   6          HG12      VAL   6  32.029   5.714  -3.984
   46   HG13  VAL   6          HG13      VAL   6  32.229   7.435  -3.655
   47   HG21  VAL   6          HG21      VAL   6  34.378   4.876  -3.524
   48   HG22  VAL   6          HG22      VAL   6  35.334   5.813  -2.377
   49   HG23  VAL   6          HG23      VAL   6  34.637   6.600  -3.791
   50    H    LYS   7           HN       LYS   7  32.823   6.873   1.087
   51    HA   LYS   7           HA       LYS   7  30.012   7.406   0.866
   52    HB2  LYS   7           HB2      LYS   7  30.871   5.778   2.484
   53    HB3  LYS   7           HB1      LYS   7  31.758   7.057   3.314
   54    HG2  LYS   7           HG2      LYS   7  29.738   8.147   3.996
   55    HG3  LYS   7           HG1      LYS   7  28.758   7.156   2.916
   56    HD2  LYS   7           HD2      LYS   7  28.507   6.319   5.187
   57    HD3  LYS   7           HD1      LYS   7  29.412   5.138   4.242
   58    HE2  LYS   7           HE2      LYS   7  31.474   5.743   5.255
   59    HE3  LYS   7           HE1      LYS   7  30.813   7.245   5.900
   60    HZ1  LYS   7           HZ1      LYS   7  29.214   5.687   7.143
   61    HZ2  LYS   7           HZ2      LYS   7  30.805   5.847   7.716
   62    HZ3  LYS   7           HZ3      LYS   7  30.360   4.481   6.811
   63    H    LYS   8           HN       LYS   8  32.818   9.197   2.036
   64    HA   LYS   8           HA       LYS   8  31.332  11.345   3.190
   65    HB2  LYS   8           HB2      LYS   8  33.739  10.745   3.706
   66    HB3  LYS   8           HB1      LYS   8  34.170  11.463   2.154
   67    HG2  LYS   8           HG2      LYS   8  33.139  13.598   2.861
   68    HG3  LYS   8           HG1      LYS   8  32.738  12.881   4.422
   69    HD2  LYS   8           HD2      LYS   8  35.130  12.488   4.865
   70    HD3  LYS   8           HD1      LYS   8  35.540  13.192   3.301
   71    HE2  LYS   8           HE2      LYS   8  34.446  15.321   4.020
   72    HE3  LYS   8           HE1      LYS   8  34.181  14.608   5.612
   73    HZ1  LYS   8           HZ1      LYS   8  36.367  14.718   6.131
   74    HZ2  LYS   8           HZ2      LYS   8  36.324  16.019   5.039
   75    HZ3  LYS   8           HZ3      LYS   8  36.890  14.499   4.533
   76    H    VAL   9           HN       VAL   9  32.719  10.730   0.005
   77    HA   VAL   9           HA       VAL   9  32.485  13.279  -1.114
   78    HB   VAL   9           HB       VAL   9  32.005  10.654  -2.553
   79   HG11  VAL   9          HG11      VAL   9  32.952  11.981  -4.479
   80   HG12  VAL   9          HG12      VAL   9  32.854  13.418  -3.460
   81   HG13  VAL   9          HG13      VAL   9  31.385  12.556  -3.912
   82   HG21  VAL   9          HG21      VAL   9  34.602  12.165  -2.133
   83   HG22  VAL   9          HG22      VAL   9  34.403  10.624  -2.969
   84   HG23  VAL   9          HG23      VAL   9  34.139  10.724  -1.227
   85    H    VAL  10           HN       VAL  10  30.190  10.580  -1.583
   86    HA   VAL  10           HA       VAL  10  28.142  12.095  -2.732
   87    HB   VAL  10           HB       VAL  10  26.616  10.249  -1.982
   88   HG11  VAL  10          HG11      VAL  10  29.282   9.448  -3.186
   89   HG12  VAL  10          HG12      VAL  10  27.861  10.010  -4.065
   90   HG13  VAL  10          HG13      VAL  10  27.826   8.456  -3.234
   91   HG21  VAL  10          HG21      VAL  10  27.630   9.750   0.177
   92   HG22  VAL  10          HG22      VAL  10  29.152   9.314  -0.600
   93   HG23  VAL  10          HG23      VAL  10  27.721   8.309  -0.835
   94    H    GLY  11           HN       GLY  11  29.250  11.997   0.505
   95    HA2  GLY  11           HA1      GLY  11  26.819  12.718   1.814
   96    HA3  GLY  11           HA2      GLY  11  28.441  12.851   2.478
   97    H    ALA  12           HN       ALA  12  29.341  14.498   0.183
   98    HA   ALA  12           HA       ALA  12  28.910  17.047   1.281
   99    HB1  ALA  12           HB1      ALA  12  29.995  17.898  -0.717
  100    HB2  ALA  12           HB2      ALA  12  29.724  16.367  -1.548
  101    HB3  ALA  12           HB3      ALA  12  30.822  16.441  -0.169
  102    H    PHE  13           HN       PHE  13  26.800  15.119  -0.461
  103    HA   PHE  13           HA       PHE  13  24.778  15.487  -1.484
  104    HB2  PHE  13           HB2      PHE  13  24.397  16.610   0.733
  105    HB3  PHE  13           HB1      PHE  13  24.850  18.137  -0.025
  106    HD1  PHE  13           HD1      PHE  13  23.221  19.406  -1.213
  107    HD2  PHE  13           HD2      PHE  13  22.500  15.231  -0.383
  108    HE1  PHE  13           HE1      PHE  13  20.902  19.629  -2.099
  109    HE2  PHE  13           HE2      PHE  13  20.184  15.455  -1.270
  110    HZ   PHE  13           HZ       PHE  13  19.417  17.633  -2.209
  111    H    GLY  14           HN       GLY  14  27.316  16.496  -2.729
  112    HA2  GLY  14           HA1      GLY  14  26.707  18.918  -4.110
  113    HA3  GLY  14           HA2      GLY  14  28.002  17.795  -4.498
  114    H    SER  15           HN       SER  15  24.460  18.091  -4.693
  115    HA   SER  15           HA       SER  15  22.960  17.357  -6.276
  116    HB2  SER  15           HB2      SER  15  25.275  17.731  -8.184
  117    HB3  SER  15           HB1      SER  15  23.557  17.784  -8.569
  118    HG   SER  15           HG       SER  15  24.409  19.876  -8.309
  119    H    LEU  16           HN       LEU  16  23.130  15.215  -5.213
  120    HA   LEU  16           HA       LEU  16  24.788  13.141  -5.995
  121    HB2  LEU  16           HB2      LEU  16  23.317  12.857  -4.118
  122    HB3  LEU  16           HB1      LEU  16  21.892  13.120  -5.116
  123    HG   LEU  16           HG       LEU  16  22.211  11.021  -6.266
  124   HD11  LEU  16          HD11      LEU  16  24.885  11.004  -4.845
  125   HD12  LEU  16          HD12      LEU  16  24.565  10.871  -6.575
  126   HD13  LEU  16          HD13      LEU  16  24.175   9.529  -5.503
  127   HD21  LEU  16          HD21      LEU  16  21.160  10.922  -4.023
  128   HD22  LEU  16          HD22      LEU  16  22.744  10.637  -3.303
  129   HD23  LEU  16          HD23      LEU  16  22.041   9.439  -4.391
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  39.569  -1.281   0.393
    2    H2   GLY   1           HT2      GLY   1  40.708  -1.166   1.648
    3    H3   GLY   1           HT3      GLY   1  40.942  -0.308   0.199
    4    HA2  GLY   1           HA1      GLY   1  38.554   0.142   1.801
    5    HA3  GLY   1           HA2      GLY   1  40.079   0.893   2.255
    6    H    LEU   2           HN       LEU   2  37.312   1.225   0.470
    7    HA   LEU   2           HA       LEU   2  38.204   3.685  -0.714
    8    HB2  LEU   2           HB2      LEU   2  37.937   3.148  -3.021
    9    HB3  LEU   2           HB1      LEU   2  39.000   1.919  -2.348
   10    HG   LEU   2           HG       LEU   2  36.044   1.638  -2.971
   11   HD11  LEU   2          HD11      LEU   2  37.621   1.444  -4.872
   12   HD12  LEU   2          HD12      LEU   2  36.837  -0.095  -4.515
   13   HD13  LEU   2          HD13      LEU   2  38.500   0.188  -4.002
   14   HD21  LEU   2          HD21      LEU   2  36.507  -0.796  -2.234
   15   HD22  LEU   2          HD22      LEU   2  36.333   0.400  -0.955
   16   HD23  LEU   2          HD23      LEU   2  37.939  -0.156  -1.427
   17    H    PHE   3           HN       PHE   3  35.945   1.755   0.656
   18    HA   PHE   3           HA       PHE   3  33.589   3.002  -0.599
   19    HB2  PHE   3           HB2      PHE   3  33.896   0.890   1.550
   20    HB3  PHE   3           HB1      PHE   3  32.341   1.538   1.033
   21    HD1  PHE   3           HD1      PHE   3  34.662  -1.072   0.472
   22    HD2  PHE   3           HD2      PHE   3  32.001   1.599  -1.638
   23    HE1  PHE   3           HE1      PHE   3  34.617  -2.640  -1.463
   24    HE2  PHE   3           HE2      PHE   3  31.965   0.032  -3.571
   25    HZ   PHE   3           HZ       PHE   3  33.344  -2.042  -3.519
   26    H    ASP   4           HN       ASP   4  35.443   3.032   2.393
   27    HA   ASP   4           HA       ASP   4  33.625   4.557   3.943
   28    HB2  ASP   4           HB2      ASP   4  36.636   4.559   4.213
   29    HB3  ASP   4           HB1      ASP   4  35.438   4.858   5.474
   30    H    ILE   5           HN       ILE   5  36.199   5.428   1.699
   31    HA   ILE   5           HA       ILE   5  36.143   8.231   2.297
   32    HB   ILE   5           HB       ILE   5  37.122   6.978  -0.284
   33   HG12  ILE   5          HG12      ILE   5  38.529   7.228   2.396
   34   HG13  ILE   5          HG11      ILE   5  38.094   5.727   1.580
   35   HG21  ILE   5          HG21      ILE   5  38.194   9.369   1.239
   36   HG22  ILE   5          HG22      ILE   5  36.931   9.521   0.019
   37   HG23  ILE   5          HG23      ILE   5  38.520   8.909  -0.432
   38   HD11  ILE   5           HD1      ILE   5  40.185   7.758   0.779
   39   HD12  ILE   5           HD2      ILE   5  39.542   6.597  -0.385
   40   HD13  ILE   5           HD3      ILE   5  40.385   6.028   1.055
   41    H    VAL   6           HN       VAL   6  34.825   6.239  -0.351
   42    HA   VAL   6           HA       VAL   6  33.603   8.323  -1.783
   43    HB   VAL   6           HB       VAL   6  32.816   5.400  -1.569
   44   HG11  VAL   6          HG11      VAL   6  30.880   6.552  -2.385
   45   HG12  VAL   6          HG12      VAL   6  31.690   5.910  -3.813
   46   HG13  VAL   6          HG13      VAL   6  31.856   7.617  -3.398
   47   HG21  VAL   6          HG21      VAL   6  34.257   6.846  -3.810
   48   HG22  VAL   6          HG22      VAL   6  34.102   5.106  -3.568
   49   HG23  VAL   6          HG23      VAL   6  35.118   6.061  -2.487
   50    H    LYS   7           HN       LYS   7  32.790   6.906   1.231
   51    HA   LYS   7           HA       LYS   7  29.979   7.413   1.195
   52    HB2  LYS   7           HB2      LYS   7  31.198   5.839   2.769
   53    HB3  LYS   7           HB1      LYS   7  31.755   7.267   3.638
   54    HG2  LYS   7           HG2      LYS   7  29.337   7.965   3.872
   55    HG3  LYS   7           HG1      LYS   7  28.886   6.395   3.207
   56    HD2  LYS   7           HD2      LYS   7  30.010   5.246   5.037
   57    HD3  LYS   7           HD1      LYS   7  30.612   6.780   5.670
   58    HE2  LYS   7           HE2      LYS   7  28.637   6.085   6.938
   59    HE3  LYS   7           HE1      LYS   7  28.265   7.534   6.005
   60    HZ1  LYS   7           HZ1      LYS   7  26.864   6.422   4.663
   61    HZ2  LYS   7           HZ2      LYS   7  26.758   5.350   5.977
   62    HZ3  LYS   7           HZ3      LYS   7  27.787   4.999   4.671
   63    H    LYS   8           HN       LYS   8  32.823   9.270   2.106
   64    HA   LYS   8           HA       LYS   8  31.384  11.419   3.341
   65    HB2  LYS   8           HB2      LYS   8  34.157  11.524   2.143
   66    HB3  LYS   8           HB1      LYS   8  33.492  12.555   3.410
   67    HG2  LYS   8           HG2      LYS   8  33.225  10.524   4.852
   68    HG3  LYS   8           HG1      LYS   8  34.046   9.582   3.607
   69    HD2  LYS   8           HD2      LYS   8  36.018  11.081   3.802
   70    HD3  LYS   8           HD1      LYS   8  35.202  11.958   5.098
   71    HE2  LYS   8           HE2      LYS   8  35.806   8.987   5.164
   72    HE3  LYS   8           HE1      LYS   8  36.798  10.220   5.941
   73    HZ1  LYS   8           HZ1      LYS   8  35.299   9.359   7.551
   74    HZ2  LYS   8           HZ2      LYS   8  33.963   9.569   6.522
   75    HZ3  LYS   8           HZ3      LYS   8  34.769  10.921   7.160
   76    H    VAL   9           HN       VAL   9  32.455  10.675   0.085
   77    HA   VAL   9           HA       VAL   9  32.191  13.225  -1.074
   78    HB   VAL   9           HB       VAL   9  31.688  10.524  -2.367
   79   HG11  VAL   9          HG11      VAL   9  30.805  12.256  -3.780
   80   HG12  VAL   9          HG12      VAL   9  32.383  11.831  -4.440
   81   HG13  VAL   9          HG13      VAL   9  32.196  13.297  -3.478
   82   HG21  VAL   9          HG21      VAL   9  34.056  10.779  -3.118
   83   HG22  VAL   9          HG22      VAL   9  33.916  10.651  -1.365
   84   HG23  VAL   9          HG23      VAL   9  34.191  12.223  -2.115
   85    H    VAL  10           HN       VAL  10  29.877  10.510  -1.320
   86    HA   VAL  10           HA       VAL  10  27.751  11.907  -2.411
   87    HB   VAL  10           HB       VAL  10  26.273  10.186  -1.327
   88   HG11  VAL  10          HG11      VAL  10  27.317   9.679  -3.461
   89   HG12  VAL  10          HG12      VAL  10  27.389   8.237  -2.448
   90   HG13  VAL  10          HG13      VAL  10  28.826   9.237  -2.661
   91   HG21  VAL  10          HG21      VAL  10  27.414   8.393  -0.031
   92   HG22  VAL  10          HG22      VAL  10  27.509   9.954   0.783
   93   HG23  VAL  10          HG23      VAL  10  28.909   9.327  -0.087
   94    H    GLY  11           HN       GLY  11  29.017  12.033   0.803
   95    HA2  GLY  11           HA1      GLY  11  26.698  13.027   2.118
   96    HA3  GLY  11           HA2      GLY  11  28.352  13.134   2.705
   97    H    ALA  12           HN       ALA  12  29.353  14.533   0.376
   98    HA   ALA  12           HA       ALA  12  28.752  17.208   1.194
   99    HB1  ALA  12           HB1      ALA  12  30.967  16.439   0.319
  100    HB2  ALA  12           HB2      ALA  12  30.338  17.877  -0.487
  101    HB3  ALA  12           HB3      ALA  12  30.233  16.304  -1.278
  102    H    PHE  13           HN       PHE  13  26.857  15.179  -0.419
  103    HA   PHE  13           HA       PHE  13  25.134  15.370  -1.931
  104    HB2  PHE  13           HB2      PHE  13  25.245  18.303  -1.197
  105    HB3  PHE  13           HB1      PHE  13  23.856  17.408  -1.810
  106    HD1  PHE  13           HD1      PHE  13  25.622  18.442   1.150
  107    HD2  PHE  13           HD2      PHE  13  23.031  15.369  -0.425
  108    HE1  PHE  13           HE1      PHE  13  24.991  17.786   3.469
  109    HE2  PHE  13           HE2      PHE  13  22.400  14.713   1.894
  110    HZ   PHE  13           HZ       PHE  13  23.313  15.980   3.836
  111    H    GLY  14           HN       GLY  14  28.051  16.147  -2.698
  112    HA2  GLY  14           HA1      GLY  14  27.784  17.992  -4.868
  113    HA3  GLY  14           HA2      GLY  14  29.174  16.971  -4.530
  114    H    SER  15           HN       SER  15  25.905  15.764  -4.972
  115    HA   SER  15           HA       SER  15  26.230  15.086  -7.739
  116    HB2  SER  15           HB2      SER  15  26.434  12.831  -5.730
  117    HB3  SER  15           HB1      SER  15  26.373  12.663  -7.482
  118    HG   SER  15           HG       SER  15  28.371  13.457  -7.641
  119    H    LEU  16           HN       LEU  16  24.185  16.411  -7.027
  120    HA   LEU  16           HA       LEU  16  21.948  14.693  -7.383
  121    HB2  LEU  16           HB2      LEU  16  22.197  14.199  -5.035
  122    HB3  LEU  16           HB1      LEU  16  22.364  15.907  -4.641
  123    HG   LEU  16           HG       LEU  16  20.054  16.339  -5.223
  124   HD11  LEU  16          HD11      LEU  16  18.607  14.288  -5.873
  125   HD12  LEU  16          HD12      LEU  16  20.132  13.510  -6.294
  126   HD13  LEU  16          HD13      LEU  16  19.633  14.983  -7.125
  127   HD21  LEU  16          HD21      LEU  16  18.914  14.883  -3.586
  128   HD22  LEU  16          HD22      LEU  16  20.485  15.410  -2.979
  129   HD23  LEU  16          HD23      LEU  16  20.287  13.776  -3.614
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  40.154  -0.834   0.669
    2    H2   GLY   1           HT2      GLY   1  38.568  -1.439   0.771
    3    H3   GLY   1           HT3      GLY   1  39.591  -1.488   2.128
    4    HA2  GLY   1           HA1      GLY   1  37.916   0.257   2.222
    5    HA3  GLY   1           HA2      GLY   1  39.577   0.820   2.349
    6    H    LEU   2           HN       LEU   2  36.651   1.212   0.789
    7    HA   LEU   2           HA       LEU   2  37.670   3.317  -0.873
    8    HB2  LEU   2           HB2      LEU   2  36.641   2.231  -3.001
    9    HB3  LEU   2           HB1      LEU   2  38.240   1.700  -2.486
   10    HG   LEU   2           HG       LEU   2  37.201  -0.240  -1.319
   11   HD11  LEU   2          HD11      LEU   2  34.679   1.036  -2.394
   12   HD12  LEU   2          HD12      LEU   2  34.993   0.385  -0.785
   13   HD13  LEU   2          HD13      LEU   2  34.753  -0.709  -2.141
   14   HD21  LEU   2          HD21      LEU   2  36.447   0.044  -4.245
   15   HD22  LEU   2          HD22      LEU   2  36.644  -1.478  -3.375
   16   HD23  LEU   2          HD23      LEU   2  38.035  -0.427  -3.640
   17    H    PHE   3           HN       PHE   3  35.390   1.917   0.972
   18    HA   PHE   3           HA       PHE   3  33.059   3.221  -0.293
   19    HB2  PHE   3           HB2      PHE   3  32.891   0.863   0.555
   20    HB3  PHE   3           HB1      PHE   3  33.163   1.481   2.184
   21    HD1  PHE   3           HD1      PHE   3  30.872   1.594  -0.750
   22    HD2  PHE   3           HD2      PHE   3  31.419   2.623   3.406
   23    HE1  PHE   3           HE1      PHE   3  28.454   2.172  -0.574
   24    HE2  PHE   3           HE2      PHE   3  29.002   3.198   3.582
   25    HZ   PHE   3           HZ       PHE   3  27.507   2.910   1.610
   26    H    ASP   4           HN       ASP   4  35.064   3.281   2.616
   27    HA   ASP   4           HA       ASP   4  33.550   5.168   4.078
   28    HB2  ASP   4           HB2      ASP   4  36.546   4.730   4.160
   29    HB3  ASP   4           HB1      ASP   4  35.553   5.463   5.421
   30    H    ILE   5           HN       ILE   5  35.996   5.484   1.577
   31    HA   ILE   5           HA       ILE   5  36.339   8.320   1.880
   32    HB   ILE   5           HB       ILE   5  36.954   6.703  -0.610
   33   HG12  ILE   5          HG12      ILE   5  38.591   7.021   1.927
   34   HG13  ILE   5          HG11      ILE   5  37.907   5.519   1.308
   35   HG21  ILE   5          HG21      ILE   5  38.432   9.064   0.579
   36   HG22  ILE   5          HG22      ILE   5  37.101   9.266  -0.559
   37   HG23  ILE   5          HG23      ILE   5  38.560   8.411  -1.055
   38   HD11  ILE   5           HD1      ILE   5  40.168   5.463   0.599
   39   HD12  ILE   5           HD2      ILE   5  40.161   7.167   0.153
   40   HD13  ILE   5           HD3      ILE   5  39.286   5.995  -0.833
   41    H    VAL   6           HN       VAL   6  34.627   6.256  -0.469
   42    HA   VAL   6           HA       VAL   6  33.505   8.393  -1.955
   43    HB   VAL   6           HB       VAL   6  32.488   5.552  -1.642
   44   HG11  VAL   6          HG11      VAL   6  31.474   6.081  -3.921
   45   HG12  VAL   6          HG12      VAL   6  31.845   7.773  -3.597
   46   HG13  VAL   6          HG13      VAL   6  30.724   6.901  -2.553
   47   HG21  VAL   6          HG21      VAL   6  34.862   5.876  -2.504
   48   HG22  VAL   6          HG22      VAL   6  34.164   6.758  -3.862
   49   HG23  VAL   6          HG23      VAL   6  33.769   5.056  -3.619
   50    H    LYS   7           HN       LYS   7  32.720   7.035   1.101
   51    HA   LYS   7           HA       LYS   7  29.944   7.642   1.180
   52    HB2  LYS   7           HB2      LYS   7  31.017   6.100   2.775
   53    HB3  LYS   7           HB1      LYS   7  31.930   7.446   3.457
   54    HG2  LYS   7           HG2      LYS   7  29.920   8.526   4.224
   55    HG3  LYS   7           HG1      LYS   7  28.905   7.388   3.336
   56    HD2  LYS   7           HD2      LYS   7  29.592   5.559   4.761
   57    HD3  LYS   7           HD1      LYS   7  30.796   6.573   5.558
   58    HE2  LYS   7           HE2      LYS   7  28.587   6.240   6.814
   59    HE3  LYS   7           HE1      LYS   7  29.127   7.907   6.611
   60    HZ1  LYS   7           HZ1      LYS   7  27.433   6.765   4.522
   61    HZ2  LYS   7           HZ2      LYS   7  27.503   8.356   5.116
   62    HZ3  LYS   7           HZ3      LYS   7  26.695   7.152   5.999
   63    H    LYS   8           HN       LYS   8  32.850   9.444   2.121
   64    HA   LYS   8           HA       LYS   8  31.483  11.673   3.230
   65    HB2  LYS   8           HB2      LYS   8  33.886  11.136   3.641
   66    HB3  LYS   8           HB1      LYS   8  34.239  11.614   1.980
   67    HG2  LYS   8           HG2      LYS   8  33.482  13.872   2.398
   68    HG3  LYS   8           HG1      LYS   8  32.889  13.426   3.997
   69    HD2  LYS   8           HD2      LYS   8  35.175  12.916   4.728
   70    HD3  LYS   8           HD1      LYS   8  35.789  13.304   3.121
   71    HE2  LYS   8           HE2      LYS   8  34.267  15.265   4.858
   72    HE3  LYS   8           HE1      LYS   8  36.027  15.182   4.784
   73    HZ1  LYS   8           HZ1      LYS   8  35.809  16.598   3.092
   74    HZ2  LYS   8           HZ2      LYS   8  34.156  16.265   2.884
   75    HZ3  LYS   8           HZ3      LYS   8  35.324  15.252   2.181
   76    H    VAL   9           HN       VAL   9  32.617  10.895  -0.022
   77    HA   VAL   9           HA       VAL   9  32.229  13.419  -1.206
   78    HB   VAL   9           HB       VAL   9  31.870  10.713  -2.532
   79   HG11  VAL   9          HG11      VAL   9  32.466  13.497  -3.574
   80   HG12  VAL   9          HG12      VAL   9  31.052  12.505  -3.932
   81   HG13  VAL   9          HG13      VAL   9  32.637  12.035  -4.545
   82   HG21  VAL   9          HG21      VAL   9  34.361  12.425  -2.258
   83   HG22  VAL   9          HG22      VAL   9  34.248  10.866  -3.076
   84   HG23  VAL   9          HG23      VAL   9  34.048  10.962  -1.326
   85    H    VAL  10           HN       VAL  10  30.090  10.562  -1.447
   86    HA   VAL  10           HA       VAL  10  27.901  11.945  -2.545
   87    HB   VAL  10           HB       VAL  10  27.799   9.451  -0.821
   88   HG11  VAL  10          HG11      VAL  10  25.917  10.661  -2.866
   89   HG12  VAL  10          HG12      VAL  10  25.595  10.385  -1.153
   90   HG13  VAL  10          HG13      VAL  10  25.762   9.015  -2.251
   91   HG21  VAL  10          HG21      VAL  10  27.976   8.225  -2.943
   92   HG22  VAL  10          HG22      VAL  10  29.391   9.255  -2.722
   93   HG23  VAL  10          HG23      VAL  10  28.106   9.745  -3.827
   94    H    GLY  11           HN       GLY  11  28.997  11.546   0.746
   95    HA2  GLY  11           HA1      GLY  11  26.619  12.244   2.091
   96    HA3  GLY  11           HA2      GLY  11  28.247  12.397   2.738
   97    H    ALA  12           HN       ALA  12  29.315  14.202   0.888
   98    HA   ALA  12           HA       ALA  12  28.215  16.673   1.892
   99    HB1  ALA  12           HB1      ALA  12  30.638  16.345   1.601
  100    HB2  ALA  12           HB2      ALA  12  30.049  17.719   0.664
  101    HB3  ALA  12           HB3      ALA  12  30.399  16.188  -0.140
  102    H    PHE  13           HN       PHE  13  27.342  14.671  -0.599
  103    HA   PHE  13           HA       PHE  13  26.104  14.921  -2.521
  104    HB2  PHE  13           HB2      PHE  13  25.193  17.461  -1.148
  105    HB3  PHE  13           HB1      PHE  13  24.340  16.589  -2.421
  106    HD1  PHE  13           HD1      PHE  13  24.966  16.810   1.148
  107    HD2  PHE  13           HD2      PHE  13  23.584  14.188  -1.991
  108    HE1  PHE  13           HE1      PHE  13  23.890  15.341   2.848
  109    HE2  PHE  13           HE2      PHE  13  22.508  12.720  -0.289
  110    HZ   PHE  13           HZ       PHE  13  22.601  13.335   2.122
  111    H    GLY  14           HN       GLY  14  28.805  16.287  -2.262
  112    HA2  GLY  14           HA1      GLY  14  28.650  18.655  -3.883
  113    HA3  GLY  14           HA2      GLY  14  30.113  17.811  -3.396
  114    H    SER  15           HN       SER  15  27.263  16.897  -5.337
  115    HA   SER  15           HA       SER  15  28.722  16.789  -7.787
  116    HB2  SER  15           HB2      SER  15  28.551  14.289  -8.059
  117    HB3  SER  15           HB1      SER  15  29.748  14.818  -6.880
  118    HG   SER  15           HG       SER  15  28.150  13.079  -6.297
  119    H    LEU  16           HN       LEU  16  26.001  15.357  -5.992
  120    HA   LEU  16           HA       LEU  16  24.313  15.021  -8.251
  121    HB2  LEU  16           HB2      LEU  16  23.834  15.160  -5.274
  122    HB3  LEU  16           HB1      LEU  16  22.482  15.039  -6.398
  123    HG   LEU  16           HG       LEU  16  23.423  12.972  -7.338
  124   HD11  LEU  16          HD11      LEU  16  25.775  13.244  -7.102
  125   HD12  LEU  16          HD12      LEU  16  25.366  11.925  -6.010
  126   HD13  LEU  16          HD13      LEU  16  25.649  13.544  -5.369
  127   HD21  LEU  16          HD21      LEU  16  23.115  11.538  -5.335
  128   HD22  LEU  16          HD22      LEU  16  21.896  12.809  -5.416
  129   HD23  LEU  16          HD23      LEU  16  23.258  12.964  -4.306
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  41.212   1.243   1.461
    2    H2   GLY   1           HT2      GLY   1  40.188   0.197   2.324
    3    H3   GLY   1           HT3      GLY   1  41.151   1.326   3.153
    4    HA2  GLY   1           HA1      GLY   1  38.658   1.751   2.734
    5    HA3  GLY   1           HA2      GLY   1  39.844   3.048   2.673
    6    H    LEU   2           HN       LEU   2  37.231   1.946   1.182
    7    HA   LEU   2           HA       LEU   2  37.750   3.412  -1.231
    8    HB2  LEU   2           HB2      LEU   2  37.567   1.652  -2.829
    9    HB3  LEU   2           HB1      LEU   2  38.796   1.143  -1.678
   10    HG   LEU   2           HG       LEU   2  35.909   0.213  -1.801
   11   HD11  LEU   2          HD11      LEU   2  36.876  -1.943  -2.290
   12   HD12  LEU   2          HD12      LEU   2  38.505  -1.337  -1.989
   13   HD13  LEU   2          HD13      LEU   2  37.598  -0.771  -3.392
   14   HD21  LEU   2          HD21      LEU   2  38.044  -0.174   0.316
   15   HD22  LEU   2          HD22      LEU   2  36.727  -1.329   0.111
   16   HD23  LEU   2          HD23      LEU   2  36.371   0.342   0.534
   17    H    PHE   3           HN       PHE   3  35.824   2.317   1.155
   18    HA   PHE   3           HA       PHE   3  33.317   2.875  -0.354
   19    HB2  PHE   3           HB2      PHE   3  33.553   0.489   0.428
   20    HB3  PHE   3           HB1      PHE   3  33.589   1.097   2.082
   21    HD1  PHE   3           HD1      PHE   3  31.504   0.535  -0.900
   22    HD2  PHE   3           HD2      PHE   3  31.607   2.187   3.086
   23    HE1  PHE   3           HE1      PHE   3  29.015   0.648  -0.883
   24    HE2  PHE   3           HE2      PHE   3  29.118   2.300   3.105
   25    HZ   PHE   3           HZ       PHE   3  27.828   1.608   1.087
   26    H    ASP   4           HN       ASP   4  35.068   3.126   2.712
   27    HA   ASP   4           HA       ASP   4  33.128   4.783   3.997
   28    HB2  ASP   4           HB2      ASP   4  34.891   3.421   5.175
   29    HB3  ASP   4           HB1      ASP   4  36.084   4.594   4.614
   30    H    ILE   5           HN       ILE   5  35.859   5.334   1.884
   31    HA   ILE   5           HA       ILE   5  36.017   8.172   2.351
   32    HB   ILE   5           HB       ILE   5  37.040   6.690  -0.089
   33   HG12  ILE   5          HG12      ILE   5  38.343   7.027   2.635
   34   HG13  ILE   5          HG11      ILE   5  37.791   5.506   1.935
   35   HG21  ILE   5          HG21      ILE   5  37.029   9.253   0.049
   36   HG22  ILE   5          HG22      ILE   5  38.589   8.499  -0.266
   37   HG23  ILE   5          HG23      ILE   5  38.206   9.087   1.353
   38   HD11  ILE   5           HD1      ILE   5  39.380   6.052  -0.037
   39   HD12  ILE   5           HD2      ILE   5  40.115   5.539   1.482
   40   HD13  ILE   5           HD3      ILE   5  40.095   7.247   1.048
   41    H    VAL   6           HN       VAL   6  34.635   6.088  -0.177
   42    HA   VAL   6           HA       VAL   6  33.694   8.090  -1.893
   43    HB   VAL   6           HB       VAL   6  32.422   5.394  -1.322
   44   HG11  VAL   6          HG11      VAL   6  30.862   6.769  -2.523
   45   HG12  VAL   6          HG12      VAL   6  31.614   5.707  -3.713
   46   HG13  VAL   6          HG13      VAL   6  32.129   7.390  -3.581
   47   HG21  VAL   6          HG21      VAL   6  34.845   5.344  -2.010
   48   HG22  VAL   6          HG22      VAL   6  34.394   6.200  -3.484
   49   HG23  VAL   6          HG23      VAL   6  33.765   4.581  -3.177
   50    H    LYS   7           HN       LYS   7  32.490   6.921   1.154
   51    HA   LYS   7           HA       LYS   7  29.832   7.892   0.972
   52    HB2  LYS   7           HB2      LYS   7  30.757   6.253   2.680
   53    HB3  LYS   7           HB1      LYS   7  31.466   7.641   3.505
   54    HG2  LYS   7           HG2      LYS   7  29.113   8.659   3.508
   55    HG3  LYS   7           HG1      LYS   7  28.533   7.068   3.020
   56    HD2  LYS   7           HD2      LYS   7  30.078   7.731   5.545
   57    HD3  LYS   7           HD1      LYS   7  28.382   7.260   5.444
   58    HE2  LYS   7           HE2      LYS   7  30.834   5.569   4.946
   59    HE3  LYS   7           HE1      LYS   7  29.480   5.249   6.029
   60    HZ1  LYS   7           HZ1      LYS   7  29.704   4.824   3.162
   61    HZ2  LYS   7           HZ2      LYS   7  28.205   5.400   3.715
   62    HZ3  LYS   7           HZ3      LYS   7  28.838   3.946   4.326
   63    H    LYS   8           HN       LYS   8  32.887   9.373   1.865
   64    HA   LYS   8           HA       LYS   8  31.802  11.744   3.009
   65    HB2  LYS   8           HB2      LYS   8  34.498  11.410   1.677
   66    HB3  LYS   8           HB1      LYS   8  34.046  12.613   2.888
   67    HG2  LYS   8           HG2      LYS   8  33.578  10.749   4.493
   68    HG3  LYS   8           HG1      LYS   8  34.189   9.611   3.291
   69    HD2  LYS   8           HD2      LYS   8  36.375  10.712   3.312
   70    HD3  LYS   8           HD1      LYS   8  35.775  11.924   4.445
   71    HE2  LYS   8           HE2      LYS   8  35.322  10.134   6.100
   72    HE3  LYS   8           HE1      LYS   8  35.973   8.944   4.975
   73    HZ1  LYS   8           HZ1      LYS   8  38.100   9.892   5.108
   74    HZ2  LYS   8           HZ2      LYS   8  37.548   9.825   6.714
   75    HZ3  LYS   8           HZ3      LYS   8  37.529  11.297   5.867
   76    H    VAL   9           HN       VAL   9  32.916  10.902  -0.256
   77    HA   VAL   9           HA       VAL   9  32.691  13.428  -1.438
   78    HB   VAL   9           HB       VAL   9  32.052  10.784  -2.783
   79   HG11  VAL   9          HG11      VAL   9  32.923  12.005  -4.788
   80   HG12  VAL   9          HG12      VAL   9  33.021  13.469  -3.810
   81   HG13  VAL   9          HG13      VAL   9  31.455  12.725  -4.129
   82   HG21  VAL   9          HG21      VAL   9  34.724  12.191  -2.473
   83   HG22  VAL   9          HG22      VAL   9  34.436  10.674  -3.324
   84   HG23  VAL   9          HG23      VAL   9  34.238  10.753  -1.574
   85    H    VAL  10           HN       VAL  10  30.315  10.771  -1.701
   86    HA   VAL  10           HA       VAL  10  28.235  12.368  -2.726
   87    HB   VAL  10           HB       VAL  10  27.888   9.865  -1.053
   88   HG11  VAL  10          HG11      VAL  10  25.810  11.050  -1.516
   89   HG12  VAL  10          HG12      VAL  10  25.880   9.601  -2.520
   90   HG13  VAL  10          HG13      VAL  10  26.230  11.181  -3.225
   91   HG21  VAL  10          HG21      VAL  10  29.527   9.432  -2.820
   92   HG22  VAL  10          HG22      VAL  10  28.468  10.181  -4.017
   93   HG23  VAL  10          HG23      VAL  10  27.994   8.668  -3.242
   94    H    GLY  11           HN       GLY  11  29.254  11.639   0.555
   95    HA2  GLY  11           HA1      GLY  11  27.082  12.372   2.059
   96    HA3  GLY  11           HA2      GLY  11  28.745  12.675   2.541
   97    H    ALA  12           HN       ALA  12  29.472  14.515   0.557
   98    HA   ALA  12           HA       ALA  12  28.552  16.931   1.672
   99    HB1  ALA  12           HB1      ALA  12  29.804  18.021  -0.049
  100    HB2  ALA  12           HB2      ALA  12  29.747  16.587  -1.077
  101    HB3  ALA  12           HB3      ALA  12  30.700  16.572   0.408
  102    H    PHE  13           HN       PHE  13  27.745  15.350  -1.417
  103    HA   PHE  13           HA       PHE  13  25.681  17.298  -2.029
  104    HB2  PHE  13           HB2      PHE  13  26.506  14.704  -3.353
  105    HB3  PHE  13           HB1      PHE  13  25.245  15.772  -3.970
  106    HD1  PHE  13           HD1      PHE  13  25.782  17.894  -5.026
  107    HD2  PHE  13           HD2      PHE  13  28.876  15.463  -3.250
  108    HE1  PHE  13           HE1      PHE  13  27.520  19.306  -6.120
  109    HE2  PHE  13           HE2      PHE  13  30.613  16.874  -4.345
  110    HZ   PHE  13           HZ       PHE  13  29.935  18.805  -5.769
  111    H    GLY  14           HN       GLY  14  25.636  15.369   0.386
  112    HA2  GLY  14           HA1      GLY  14  23.407  13.634  -0.056
  113    HA3  GLY  14           HA2      GLY  14  24.124  14.038   1.497
  114    H    SER  15           HN       SER  15  23.146  16.649  -0.530
  115    HA   SER  15           HA       SER  15  20.448  16.860   0.408
  116    HB2  SER  15           HB2      SER  15  22.554  18.595   1.712
  117    HB3  SER  15           HB1      SER  15  20.823  18.918   1.783
  118    HG   SER  15           HG       SER  15  22.198  16.612   2.711
  119    H    LEU  16           HN       LEU  16  23.281  18.750  -0.642
  120    HA   LEU  16           HA       LEU  16  21.724  20.684  -2.070
  121    HB2  LEU  16           HB2      LEU  16  24.639  20.062  -2.561
  122    HB3  LEU  16           HB1      LEU  16  23.799  21.599  -2.771
  123    HG   LEU  16           HG       LEU  16  24.320  20.197  -0.129
  124   HD11  LEU  16          HD11      LEU  16  26.324  21.230  -1.104
  125   HD12  LEU  16          HD12      LEU  16  25.778  22.158   0.293
  126   HD13  LEU  16          HD13      LEU  16  25.447  22.741  -1.339
  127   HD21  LEU  16          HD21      LEU  16  22.252  21.361   0.119
  128   HD22  LEU  16          HD22      LEU  16  22.807  22.721  -0.858
  129   HD23  LEU  16          HD23      LEU  16  23.466  22.466   0.758
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  41.542   1.327   1.684
    2    H2   GLY   1           HT2      GLY   1  41.892   1.827   0.099
    3    H3   GLY   1           HT3      GLY   1  40.593   0.771   0.395
    4    HA2  GLY   1           HA1      GLY   1  39.439   2.446   1.596
    5    HA3  GLY   1           HA2      GLY   1  40.799   3.538   1.358
    6    H    LEU   2           HN       LEU   2  37.871   2.428   0.145
    7    HA   LEU   2           HA       LEU   2  37.897   4.300  -2.012
    8    HB2  LEU   2           HB2      LEU   2  37.779   2.825  -3.885
    9    HB3  LEU   2           HB1      LEU   2  39.205   2.353  -2.970
   10    HG   LEU   2           HG       LEU   2  36.501   0.972  -2.978
   11   HD11  LEU   2          HD11      LEU   2  38.038   0.544  -4.895
   12   HD12  LEU   2          HD12      LEU   2  37.757  -0.893  -3.913
   13   HD13  LEU   2          HD13      LEU   2  39.267   0.003  -3.752
   14   HD21  LEU   2          HD21      LEU   2  37.793  -0.706  -1.483
   15   HD22  LEU   2          HD22      LEU   2  37.234   0.778  -0.720
   16   HD23  LEU   2          HD23      LEU   2  38.926   0.616  -1.194
   17    H    PHE   3           HN       PHE   3  36.444   2.535   0.298
   18    HA   PHE   3           HA       PHE   3  33.722   2.877  -0.868
   19    HB2  PHE   3           HB2      PHE   3  34.303   0.493  -0.551
   20    HB3  PHE   3           HB1      PHE   3  34.634   0.811   1.152
   21    HD1  PHE   3           HD1      PHE   3  32.854   0.956   2.759
   22    HD2  PHE   3           HD2      PHE   3  31.972   0.920  -1.467
   23    HE1  PHE   3           HE1      PHE   3  30.428   0.701   3.267
   24    HE2  PHE   3           HE2      PHE   3  29.547   0.664  -0.958
   25    HZ   PHE   3           HZ       PHE   3  28.768   0.637   1.409
   26    H    ASP   4           HN       ASP   4  35.768   3.039   2.010
   27    HA   ASP   4           HA       ASP   4  33.727   4.132   3.706
   28    HB2  ASP   4           HB2      ASP   4  35.621   4.613   5.240
   29    HB3  ASP   4           HB1      ASP   4  35.621   2.943   4.674
   30    H    ILE   5           HN       ILE   5  36.177   5.429   1.558
   31    HA   ILE   5           HA       ILE   5  35.948   8.144   2.472
   32    HB   ILE   5           HB       ILE   5  36.971   7.248  -0.238
   33   HG12  ILE   5          HG12      ILE   5  38.446   7.349   2.417
   34   HG13  ILE   5          HG11      ILE   5  38.045   5.886   1.518
   35   HG21  ILE   5          HG21      ILE   5  36.605   9.722   0.342
   36   HG22  ILE   5          HG22      ILE   5  38.222   9.279  -0.195
   37   HG23  ILE   5          HG23      ILE   5  37.902   9.531   1.521
   38   HD11  ILE   5           HD1      ILE   5  40.294   6.334   0.921
   39   HD12  ILE   5           HD2      ILE   5  39.999   8.064   0.768
   40   HD13  ILE   5           HD3      ILE   5  39.360   6.951  -0.442
   41    H    VAL   6           HN       VAL   6  34.586   6.240  -0.184
   42    HA   VAL   6           HA       VAL   6  33.307   8.261  -1.610
   43    HB   VAL   6           HB       VAL   6  32.273   5.448  -1.130
   44   HG11  VAL   6          HG11      VAL   6  31.260   5.860  -3.426
   45   HG12  VAL   6          HG12      VAL   6  31.687   7.558  -3.223
   46   HG13  VAL   6          HG13      VAL   6  30.546   6.798  -2.115
   47   HG21  VAL   6          HG21      VAL   6  34.645   5.645  -2.002
   48   HG22  VAL   6          HG22      VAL   6  33.988   6.498  -3.400
   49   HG23  VAL   6          HG23      VAL   6  33.531   4.822  -3.094
   50    H    LYS   7           HN       LYS   7  32.621   7.006   1.519
   51    HA   LYS   7           HA       LYS   7  29.853   7.609   1.668
   52    HB2  LYS   7           HB2      LYS   7  31.074   6.147   3.282
   53    HB3  LYS   7           HB1      LYS   7  31.874   7.583   3.923
   54    HG2  LYS   7           HG2      LYS   7  29.783   8.523   4.653
   55    HG3  LYS   7           HG1      LYS   7  28.862   7.288   3.794
   56    HD2  LYS   7           HD2      LYS   7  29.801   5.549   5.260
   57    HD3  LYS   7           HD1      LYS   7  30.744   6.770   6.115
   58    HE2  LYS   7           HE2      LYS   7  28.606   6.154   7.282
   59    HE3  LYS   7           HE1      LYS   7  28.727   7.868   6.891
   60    HZ1  LYS   7           HZ1      LYS   7  27.118   7.724   5.331
   61    HZ2  LYS   7           HZ2      LYS   7  26.609   6.420   6.293
   62    HZ3  LYS   7           HZ3      LYS   7  27.515   6.137   4.884
   63    H    LYS   8           HN       LYS   8  32.770   9.509   2.129
   64    HA   LYS   8           HA       LYS   8  31.454  11.779   3.296
   65    HB2  LYS   8           HB2      LYS   8  34.134  11.595   1.899
   66    HB3  LYS   8           HB1      LYS   8  33.582  12.933   2.906
   67    HG2  LYS   8           HG2      LYS   8  33.443  11.465   4.850
   68    HG3  LYS   8           HG1      LYS   8  33.880  10.071   3.861
   69    HD2  LYS   8           HD2      LYS   8  36.051  11.171   3.325
   70    HD3  LYS   8           HD1      LYS   8  35.619  12.496   4.405
   71    HE2  LYS   8           HE2      LYS   8  35.894   9.585   5.210
   72    HE3  LYS   8           HE1      LYS   8  37.059  10.863   5.561
   73    HZ1  LYS   8           HZ1      LYS   8  34.341  10.490   6.636
   74    HZ2  LYS   8           HZ2      LYS   8  35.050  12.033   6.618
   75    HZ3  LYS   8           HZ3      LYS   8  35.791  10.764   7.472
   76    H    VAL   9           HN       VAL   9  32.419  10.818   0.040
   77    HA   VAL   9           HA       VAL   9  31.978  13.221  -1.311
   78    HB   VAL   9           HB       VAL   9  31.414  10.432  -2.365
   79   HG11  VAL   9          HG11      VAL   9  31.978  13.098  -3.689
   80   HG12  VAL   9          HG12      VAL   9  30.528  12.108  -3.852
   81   HG13  VAL   9          HG13      VAL   9  32.053  11.557  -4.544
   82   HG21  VAL   9          HG21      VAL   9  33.739  10.450  -3.117
   83   HG22  VAL   9          HG22      VAL   9  33.696  10.707  -1.373
   84   HG23  VAL   9          HG23      VAL   9  33.968  12.070  -2.460
   85    H    VAL  10           HN       VAL  10  29.709  10.467  -1.051
   86    HA   VAL  10           HA       VAL  10  27.495  11.771  -2.161
   87    HB   VAL  10           HB       VAL  10  26.117  10.069  -0.956
   88   HG11  VAL  10          HG11      VAL  10  28.649   9.105  -2.318
   89   HG12  VAL  10          HG12      VAL  10  27.105   9.465  -3.090
   90   HG13  VAL  10          HG13      VAL  10  27.247   8.085  -2.002
   91   HG21  VAL  10          HG21      VAL  10  27.393   8.347   0.361
   92   HG22  VAL  10          HG22      VAL  10  27.357   9.934   1.131
   93   HG23  VAL  10          HG23      VAL  10  28.806   9.398   0.280
   94    H    GLY  11           HN       GLY  11  29.008  12.185   0.883
   95    HA2  GLY  11           HA1      GLY  11  26.749  13.123   2.354
   96    HA3  GLY  11           HA2      GLY  11  28.439  13.349   2.782
   97    H    ALA  12           HN       ALA  12  29.459  14.789   0.750
   98    HA   ALA  12           HA       ALA  12  28.356  17.402   1.232
   99    HB1  ALA  12           HB1      ALA  12  30.739  17.183   1.029
  100    HB2  ALA  12           HB2      ALA  12  30.163  18.124  -0.347
  101    HB3  ALA  12           HB3      ALA  12  30.585  16.424  -0.555
  102    H    PHE  13           HN       PHE  13  27.151  15.058  -0.580
  103    HA   PHE  13           HA       PHE  13  25.756  14.945  -2.399
  104    HB2  PHE  13           HB2      PHE  13  25.544  17.955  -2.256
  105    HB3  PHE  13           HB1      PHE  13  24.323  16.790  -2.768
  106    HD1  PHE  13           HD1      PHE  13  23.812  14.883  -0.914
  107    HD2  PHE  13           HD2      PHE  13  25.298  18.853  -0.082
  108    HE1  PHE  13           HE1      PHE  13  22.955  14.719   1.420
  109    HE2  PHE  13           HE2      PHE  13  24.439  18.685   2.248
  110    HZ   PHE  13           HZ       PHE  13  23.354  16.582   3.026
  111    H    GLY  14           HN       GLY  14  28.745  16.010  -2.550
  112    HA2  GLY  14           HA1      GLY  14  30.219  16.185  -4.310
  113    HA3  GLY  14           HA2      GLY  14  28.869  15.941  -5.410
  114    H    SER  15           HN       SER  15  27.343  17.872  -5.560
  115    HA   SER  15           HA       SER  15  28.382  20.479  -4.982
  116    HB2  SER  15           HB2      SER  15  28.758  21.189  -7.308
  117    HB3  SER  15           HB1      SER  15  29.868  19.899  -6.852
  118    HG   SER  15           HG       SER  15  27.809  18.647  -7.747
  119    H    LEU  16           HN       LEU  16  25.981  18.343  -5.787
  120    HA   LEU  16           HA       LEU  16  24.125  20.040  -7.136
  121    HB2  LEU  16           HB2      LEU  16  23.870  17.463  -5.580
  122    HB3  LEU  16           HB1      LEU  16  22.447  18.292  -6.209
  123    HG   LEU  16           HG       LEU  16  23.434  18.213  -8.489
  124   HD11  LEU  16          HD11      LEU  16  25.781  18.135  -8.127
  125   HD12  LEU  16          HD12      LEU  16  25.385  16.531  -8.738
  126   HD13  LEU  16          HD13      LEU  16  25.649  16.775  -7.011
  127   HD21  LEU  16          HD21      LEU  16  21.910  16.425  -7.638
  128   HD22  LEU  16          HD22      LEU  16  23.325  15.500  -7.133
  129   HD23  LEU  16          HD23      LEU  16  23.050  15.826  -8.844
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  40.134   2.527   1.472
    2    H2   GLY   1           HT2      GLY   1  40.896   1.013   1.604
    3    H3   GLY   1           HT3      GLY   1  39.900   1.581   2.858
    4    HA2  GLY   1           HA1      GLY   1  39.150  -0.091   0.934
    5    HA3  GLY   1           HA2      GLY   1  38.071   0.900   1.907
    6    H    LEU   2           HN       LEU   2  36.546   1.602   0.589
    7    HA   LEU   2           HA       LEU   2  37.168   3.490  -1.461
    8    HB2  LEU   2           HB2      LEU   2  36.420   2.317  -3.396
    9    HB3  LEU   2           HB1      LEU   2  37.595   1.269  -2.609
   10    HG   LEU   2           HG       LEU   2  34.571   1.021  -2.514
   11   HD11  LEU   2          HD11      LEU   2  36.764  -0.792  -3.564
   12   HD12  LEU   2          HD12      LEU   2  35.654   0.164  -4.548
   13   HD13  LEU   2          HD13      LEU   2  35.041  -1.166  -3.565
   14   HD21  LEU   2          HD21      LEU   2  36.740  -0.363  -0.912
   15   HD22  LEU   2          HD22      LEU   2  35.173  -1.121  -1.192
   16   HD23  LEU   2          HD23      LEU   2  35.267   0.404  -0.319
   17    H    PHE   3           HN       PHE   3  35.259   2.202   0.849
   18    HA   PHE   3           HA       PHE   3  32.730   3.362  -0.190
   19    HB2  PHE   3           HB2      PHE   3  32.676   1.003   0.606
   20    HB3  PHE   3           HB1      PHE   3  33.179   1.560   2.202
   21    HD1  PHE   3           HD1      PHE   3  30.484   1.769  -0.363
   22    HD2  PHE   3           HD2      PHE   3  31.622   2.625   3.712
   23    HE1  PHE   3           HE1      PHE   3  28.116   2.313   0.184
   24    HE2  PHE   3           HE2      PHE   3  29.252   3.167   4.259
   25    HZ   PHE   3           HZ       PHE   3  27.505   3.043   2.487
   26    H    ASP   4           HN       ASP   4  34.672   3.195   2.804
   27    HA   ASP   4           HA       ASP   4  33.304   5.199   4.209
   28    HB2  ASP   4           HB2      ASP   4  34.954   3.627   5.213
   29    HB3  ASP   4           HB1      ASP   4  36.246   4.517   4.407
   30    H    ILE   5           HN       ILE   5  35.855   5.379   1.804
   31    HA   ILE   5           HA       ILE   5  36.370   8.193   2.201
   32    HB   ILE   5           HB       ILE   5  37.098   6.554  -0.243
   33   HG12  ILE   5          HG12      ILE   5  38.533   6.778   2.424
   34   HG13  ILE   5          HG11      ILE   5  37.819   5.318   1.745
   35   HG21  ILE   5          HG21      ILE   5  37.383   9.103  -0.166
   36   HG22  ILE   5          HG22      ILE   5  38.829   8.171  -0.538
   37   HG23  ILE   5          HG23      ILE   5  38.597   8.829   1.082
   38   HD11  ILE   5           HD1      ILE   5  39.395   5.712  -0.274
   39   HD12  ILE   5           HD2      ILE   5  40.122   5.130   1.224
   40   HD13  ILE   5           HD3      ILE   5  40.252   6.833   0.787
   41    H    VAL   6           HN       VAL   6  34.650   6.235  -0.227
   42    HA   VAL   6           HA       VAL   6  33.813   8.456  -1.800
   43    HB   VAL   6           HB       VAL   6  32.649   5.659  -1.601
   44   HG11  VAL   6          HG11      VAL   6  31.757   6.274  -3.915
   45   HG12  VAL   6          HG12      VAL   6  32.155   7.946  -3.526
   46   HG13  VAL   6          HG13      VAL   6  30.965   7.074  -2.559
   47   HG21  VAL   6          HG21      VAL   6  35.058   5.905  -2.353
   48   HG22  VAL   6          HG22      VAL   6  34.467   6.876  -3.700
   49   HG23  VAL   6          HG23      VAL   6  33.987   5.185  -3.558
   50    H    LYS   7           HN       LYS   7  32.649   7.017   1.124
   51    HA   LYS   7           HA       LYS   7  29.945   7.796   1.036
   52    HB2  LYS   7           HB2      LYS   7  30.892   6.248   2.725
   53    HB3  LYS   7           HB1      LYS   7  31.747   7.604   3.461
   54    HG2  LYS   7           HG2      LYS   7  29.669   8.710   4.005
   55    HG3  LYS   7           HG1      LYS   7  28.742   7.521   3.090
   56    HD2  LYS   7           HD2      LYS   7  29.373   5.759   4.641
   57    HD3  LYS   7           HD1      LYS   7  30.447   6.859   5.507
   58    HE2  LYS   7           HE2      LYS   7  27.445   7.201   5.247
   59    HE3  LYS   7           HE1      LYS   7  28.277   6.594   6.678
   60    HZ1  LYS   7           HZ1      LYS   7  28.364   8.724   7.282
   61    HZ2  LYS   7           HZ2      LYS   7  27.999   9.292   5.723
   62    HZ3  LYS   7           HZ3      LYS   7  29.599   8.888   6.132
   63    H    LYS   8           HN       LYS   8  32.871   9.547   1.910
   64    HA   LYS   8           HA       LYS   8  31.533  11.837   2.983
   65    HB2  LYS   8           HB2      LYS   8  34.342  11.512   1.899
   66    HB3  LYS   8           HB1      LYS   8  33.756  12.918   2.791
   67    HG2  LYS   8           HG2      LYS   8  33.255  11.499   4.733
   68    HG3  LYS   8           HG1      LYS   8  33.795  10.074   3.846
   69    HD2  LYS   8           HD2      LYS   8  36.044  11.181   3.587
   70    HD3  LYS   8           HD1      LYS   8  35.479  12.455   4.666
   71    HE2  LYS   8           HE2      LYS   8  34.993  10.705   6.392
   72    HE3  LYS   8           HE1      LYS   8  35.722   9.506   5.324
   73    HZ1  LYS   8           HZ1      LYS   8  36.983  11.623   6.877
   74    HZ2  LYS   8           HZ2      LYS   8  37.638  11.321   5.338
   75    HZ3  LYS   8           HZ3      LYS   8  37.553  10.074   6.489
   76    H    VAL   9           HN       VAL   9  32.721  10.913  -0.204
   77    HA   VAL   9           HA       VAL   9  32.460  13.433  -1.458
   78    HB   VAL   9           HB       VAL   9  32.122  10.711  -2.755
   79   HG11  VAL   9          HG11      VAL   9  31.442  12.529  -4.210
   80   HG12  VAL   9          HG12      VAL   9  33.028  11.967  -4.739
   81   HG13  VAL   9          HG13      VAL   9  32.888  13.453  -3.801
   82   HG21  VAL   9          HG21      VAL   9  34.614  12.357  -2.198
   83   HG22  VAL   9          HG22      VAL   9  34.568  10.920  -3.220
   84   HG23  VAL   9          HG23      VAL   9  34.221  10.788  -1.496
   85    H    VAL  10           HN       VAL  10  30.282  10.602  -1.636
   86    HA   VAL  10           HA       VAL  10  28.168  12.068  -2.865
   87    HB   VAL  10           HB       VAL  10  27.948   9.461  -1.330
   88   HG11  VAL  10          HG11      VAL  10  26.045   9.119  -2.939
   89   HG12  VAL  10          HG12      VAL  10  26.266  10.783  -3.480
   90   HG13  VAL  10          HG13      VAL  10  25.788  10.454  -1.814
   91   HG21  VAL  10          HG21      VAL  10  28.516   9.928  -4.276
   92   HG22  VAL  10          HG22      VAL  10  28.333   8.361  -3.486
   93   HG23  VAL  10          HG23      VAL  10  29.710   9.392  -3.094
   94    H    GLY  11           HN       GLY  11  29.027  11.312   0.454
   95    HA2  GLY  11           HA1      GLY  11  26.564  12.026   1.654
   96    HA3  GLY  11           HA2      GLY  11  28.124  11.950   2.463
   97    H    ALA  12           HN       ALA  12  29.326  13.882   0.586
   98    HA   ALA  12           HA       ALA  12  28.638  16.278   2.016
   99    HB1  ALA  12           HB1      ALA  12  30.938  15.783   1.270
  100    HB2  ALA  12           HB2      ALA  12  30.357  17.327   0.645
  101    HB3  ALA  12           HB3      ALA  12  30.407  15.913  -0.406
  102    H    PHE  13           HN       PHE  13  27.835  14.885  -1.090
  103    HA   PHE  13           HA       PHE  13  26.824  17.250  -2.308
  104    HB2  PHE  13           HB2      PHE  13  27.433  15.237  -3.595
  105    HB3  PHE  13           HB1      PHE  13  26.102  14.358  -2.841
  106    HD1  PHE  13           HD1      PHE  13  26.967  17.200  -5.087
  107    HD2  PHE  13           HD2      PHE  13  23.813  14.685  -3.550
  108    HE1  PHE  13           HE1      PHE  13  25.403  18.114  -6.799
  109    HE2  PHE  13           HE2      PHE  13  22.250  15.599  -5.262
  110    HZ   PHE  13           HZ       PHE  13  23.056  17.284  -6.910
  111    H    GLY  14           HN       GLY  14  25.522  14.964  -0.030
  112    HA2  GLY  14           HA1      GLY  14  22.783  15.349  -0.380
  113    HA3  GLY  14           HA2      GLY  14  23.555  14.921   1.141
  114    H    SER  15           HN       SER  15  25.169  17.330   1.270
  115    HA   SER  15           HA       SER  15  23.270  19.039   2.567
  116    HB2  SER  15           HB2      SER  15  25.230  20.492   2.977
  117    HB3  SER  15           HB1      SER  15  25.551  18.817   3.417
  118    HG   SER  15           HG       SER  15  26.731  20.385   1.541
  119    H    LEU  16           HN       LEU  16  25.133  19.201  -0.444
  120    HA   LEU  16           HA       LEU  16  24.275  21.827  -1.160
  121    HB2  LEU  16           HB2      LEU  16  25.160  19.694  -3.108
  122    HB3  LEU  16           HB1      LEU  16  25.356  21.442  -3.235
  123    HG   LEU  16           HG       LEU  16  26.730  19.623  -1.233
  124   HD11  LEU  16          HD11      LEU  16  28.768  20.267  -2.446
  125   HD12  LEU  16          HD12      LEU  16  27.814  21.267  -3.542
  126   HD13  LEU  16          HD13      LEU  16  27.613  19.514  -3.546
  127   HD21  LEU  16          HD21      LEU  16  28.011  21.808  -0.744
  128   HD22  LEU  16          HD22      LEU  16  26.373  21.701  -0.109
  129   HD23  LEU  16          HD23      LEU  16  26.690  22.636  -1.570