*HEADER    ANTIMICROBIAL PROTEIN                   11-MAR-19   6O8J              
*TITLE     SYN-SAFENCIN                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CIRCULAR BACTERIOCIN, CIRCULARIN A/UBEROLYSIN FAMILY;      
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: BACILLUS SAFENSIS;                              
*SOURCE   4 ORGANISM_TAXID: 561879                                               
*KEYWDS    ANTIMICROBIAL, SYNTHETIC PEPTIDE, ANTIMICROBIAL PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.R.FIELDS,S.W.LEE                                                    
*REVDAT   1   15-APR-20 6O8J    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    5 THR  HN      A    3 LYS   HA     A    0.000   2.700 100.0 1.0 1.0
   2  1    5 THR  HN      A    2 GLY   HA1    A    0.000   2.700 100.0 1.0 1.0
   2  2    5 THR  HN      A    2 GLY   HA1    A    0.000   2.700 100.0 1.0 1.0
   3  1    5 THR  HN      A    3 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
   3  1    5 THR  HN      A    3 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
   4  1    5 THR  HN      A    4 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
   4  1    5 THR  HN      A    4 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
   5  1    2 GLY  HN      A    1 ALA   HA     A    0.000   2.700 100.0 1.0 1.0
   6  1    2 GLY  HN      A    1 ALA   HB1    A    0.000   2.700 100.0 1.0 1.0
   6  1    2 GLY  HN      A    1 ALA   HB2    A    0.000   2.700 100.0 1.0 1.0
   6  1    2 GLY  HN      A    1 ALA   HB3    A    0.000   2.700 100.0 1.0 1.0
   7  1   20 LYS  HN      A   18 GLY   HA1    A    0.000   5.000 100.0 1.0 1.0
   7  2   20 LYS  HN      A   18 GLY   HA2    A    0.000   5.000 100.0 1.0 1.0
   8  1    3 LYS  HN      A    2 GLY   HA1    A    0.000   2.700 100.0 1.0 1.0
   8  2    3 LYS  HN      A    2 GLY   HA2    A    0.000   2.700 100.0 1.0 1.0
   9  1    3 LYS  HN      A    1 ALA   HB1    A    0.000   2.700 100.0 1.0 1.0
   9  1    3 LYS  HN      A    1 ALA   HB2    A    0.000   2.700 100.0 1.0 1.0
   9  1    3 LYS  HN      A    1 ALA   HB3    A    0.000   2.700 100.0 1.0 1.0
  10  1    7 ARG  HN      A    4 GLU   HA     A    0.000   5.000 100.0 1.0 1.0
  11  1    7 ARG  HN      A    5 THR   HA     A    0.000   2.700 100.0 1.0 1.0
  12  1    7 ARG  HN      A    5 THR   HB1    A    0.000   2.700 100.0 1.0 1.0
  13  1    7 ARG  HN      A    4 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  13  1    7 ARG  HN      A    4 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  14  1    4 GLU  HN      A    3 LYS   HA     A    0.000   3.300 100.0 1.0 1.0
  15  1    4 GLU  HN      A    2 GLY   HA1    A    0.000   5.000 100.0 1.0 1.0
  15  1    4 GLU  HN      A    2 GLY   HA2    A    0.000   5.000 100.0 1.0 1.0
  16  1    4 GLU  HN      A    3 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  16  1    4 GLU  HN      A    3 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  17  1    8 GLN  HN      A    6 ILE   HA     A    0.000   3.300 100.0 1.0 1.0   
  18  1    8 GLN  HN      A    6 ILE   HB1    A    0.000   2.700 100.0 1.0 1.0
  19  1    8 GLN  HN      A    5 THR   HA     A    0.000   5.000 100.0 1.0 1.0
  20  1   14 ILE  HN      A   12 ASN   HA     A    0.000   5.000 100.0 1.0 1.0
  21  1   14 ILE  HN      A   13 GLU   HA     A    0.000   5.000 100.0 1.0 1.0
  22  1   14 ILE  HN      A   12 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0
  22  2   14 ILE  HN      A   12 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0
  23  1   14 ILE  HN      A   13 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  23  1   14 ILE  HN      A   13 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  24  1   23 ILE  HN      A   19 ARG   HA     A    0.000   5.000 100.0 1.0 1.0
  25  1   23 ILE  HN      A   22 VAL   HA     A    0.000   5.000 100.0 1.0 1.0
  26  1   23 ILE  HN      A   18 GLY   HA1    A    0.000   5.000 100.0 1.0 1.0
  26  1   23 ILE  HN      A   18 GLY   HA2    A    0.000   5.000 100.0 1.0 1.0
  27  1   23 ILE  HN      A   22 VAL   HB1    A    0.000   3.300 100.0 1.0 1.0
  27  1   23 ILE  HN      A   22 VAL   HB2    A    0.000   3.300 100.0 1.0 1.0
  28  1   23 ILE  HN      A   19 ARG   HB1    A    0.000   3.300 100.0 1.0 1.0
  28  1   23 ILE  HN      A   19 ARG   HB2    A    0.000   3.300 100.0 1.0 1.0
  29  1    9 TYR  HN      A    6 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  30  1    9 TYR  HN      A    4 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  30  1    9 TYR  HN      A    4 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  31  1    9 TYR  HN      A    6 ILE   HB1    A    0.000   3.300 100.0 1.0 1.0
  32  1   16 LYS  HN      A   12 ASN   HA     A    0.000   5.000 100.0 1.0 1.0 
  33  1   16 LYS  HN      A   14 ILE   HA     A    0.000   5.000 100.0 1.0 1.0 
  34  1   16 LYS  HN      A   12 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0
  34  2   16 LYS  HN      A   12 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0
  35  1   16 LYS  HN      A   14 ILE   HB1    A    0.000   2.700 100.0 1.0 1.0
  36  1   18 GLY  HN      A   15 LYS   HA     A    0.000   3.300 100.0 1.0 1.0
  37  1   18 GLY  HN      A   17 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  38  1   18 GLY  HN      A   17 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  38  1   18 GLY  HN      A   17 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  39  1   18 GLY  HN      A   15 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  39  1   18 GLY  HN      A   15 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  40  1   19 ARG  HN      A   18 GLY   HA1    A    0.000   3.300 100.0 1.0 1.0
  40  2   19 ARG  HN      A   18 GLY   HA2    A    0.000   2.700 100.0 1.0 1.0
  41  1   19 ARG  HN      A   16 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  41  1   19 ARG  HN      A   16 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  42  1   12 ASN  HN      A    8 GLN   HA     A    0.000   5.000 100.0 1.0 1.0
  43  1   12 ASN  HN      A   11 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  44  1   12 ASN  HN      A    9 TYR   HB1    A    0.000   5.000 100.0 1.0 1.0
  44  1   12 ASN  HN      A    9 TYR   HB2    A    0.000   5.000 100.0 1.0 1.0
  45  1   12 ASN  HN      A    8 GLN   HB1    A    0.000   5.000 100.0 1.0 1.0
  45  1   12 ASN  HN      A    8 GLN   HB2    A    0.000   5.000 100.0 1.0 1.0
  46  1   12 ASN  HN      A   11 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  46  1   12 ASN  HN      A   11 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  47  1   15 LYS  HN      A   11 LYS   HA     A    0.000   2.700 100.0 1.0 1.0
  48  1   15 LYS  HN      A   13 GLU   HA     A    0.000   5.000 100.0 1.0 1.0
  49  1   15 LYS  HN      A   13 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  49  1   15 LYS  HN      A   13 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  50  1   15 LYS  HN      A   11 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  50  1   15 LYS  HN      A   11 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  51  1   11 LYS  HN      A    9 TYR   HA     A    0.000   3.300 100.0 1.0 1.0
  52  1   11 LYS  HN      A   10 LEU   HA     A    0.000   5.000 100.0 1.0 1.0
  53  1   11 LYS  HN      A    9 TYR   HB1    A    0.000   5.000 100.0 1.0 1.0
  53  1   11 LYS  HN      A    9 TYR   HB2    A    0.000   5.000 100.0 1.0 1.0
  54  1   11 LYS  HN      A    8 GLN   HB1    A    0.000   5.000 100.0 1.0 1.0
  54  1   11 LYS  HN      A    8 GLN   HB2    A    0.000   5.000 100.0 1.0 1.0
  55  1   11 LYS  HN      A   10 LEU   HB1    A    0.000   3.300 100.0 1.0 1.0
  55  1   11 LYS  HN      A   10 LEU   HB2    A    0.000   3.300 100.0 1.0 1.0
  56  1   13 GLU  HN      A   11 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  57  1   13 GLU  HN      A   11 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  57  1   13 GLU  HN      A   11 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  58  1   21 ALA  HN      A   20 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  59  1   21 ALA  HN      A   18 GLY   HA1    A    0.000   5.000 100.0 1.0 1.0
  59  1   21 ALA  HN      A   18 GLY   HA2    A    0.000   5.000 100.0 1.0 1.0
  60  1   21 ALA  HN      A   20 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  60  1   21 ALA  HN      A   20 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  61  1   22 VAL  HN      A   20 LYS   HA     A    0.000   2.700 100.0 1.0 1.0
  62  1   22 VAL  HN      A   21 ALA   HA     A    0.000   2.700 100.0 1.0 1.0
  63  1   22 VAL  HN      A   20 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  63  1   22 VAL  HN      A   20 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  64  1   22 VAL  HN      A   21 ALA   HB1    A    0.000   3.300 100.0 1.0 1.0
  64  1   22 VAL  HN      A   21 ALA   HB2    A    0.000   3.300 100.0 1.0 1.0
  64  1   22 VAL  HN      A   21 ALA   HB3    A    0.000   3.300 100.0 1.0 1.0
  65  1   24 ALA  HN      A   23 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  66  1   24 ALA  HN      A   22 VAL   HA     A    0.000   2.700 100.0 1.0 1.0
  67  1   24 ALA  HN      A   22 VAL   HB1    A    0.000   2.700 100.0 1.0 1.0
  67  1   24 ALA  HN      A   22 VAL   HB2    A    0.000   2.700 100.0 1.0 1.0
  68  1   24 ALA  HN      A   20 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  68  1   24 ALA  HN      A   20 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  69  1    6 ILE  HN      A    5 THR   HA     A    0.000   3.300 100.0 1.0 1.0
  70  1    6 ILE  HN      A    2 GLY   HA1    A    0.000   3.300 100.0 1.0 1.0
  70  1    6 ILE  HN      A    2 GLY   HA2    A    0.000   3.300 100.0 1.0 1.0
  71  1    6 ILE  HN      A    4 GLU   HB1    A    0.000   3.300 100.0 1.0 1.0
  71  1    6 ILE  HN      A    4 GLU   HB2    A    0.000   3.300 100.0 1.0 1.0
  72  1   17 LYS  HN      A   16 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  73  1   17 LYS  HN      A   14 ILE   HA     A    0.000   2.700 100.0 1.0 1.0
  74  1   17 LYS  HN      A   14 ILE   HB1    A    0.000   2.700 100.0 1.0 1.0
  75  1   17 LYS  HN      A   16 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  75  1   17 LYS  HN      A   16 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  76  1   10 LEU  HN      A    6 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  77  1   10 LEU  HN      A    8 GLN   HA     A    0.000   3.300 100.0 1.0 1.0
  78  1   10 LEU  HN      A    8 GLN   HB1    A    0.000   5.000 100.0 1.0 1.0
  78  1   10 LEU  HN      A    8 GLN   HB2    A    0.000   5.000 100.0 1.0 1.0
  79  1   10 LEU  HN      A    6 ILE   HB1    A    0.000   5.000 100.0 1.0 1.0
  80  1   25 TRP  HN      A   24 ALA   HA     A    0.000   2.700 100.0 1.0 1.0
  81  1   25 TRP  HN      A   22 VAL   HA     A    0.000   5.000 100.0 1.0 1.0
  82  1   25 TRP  HN      A   22 VAL   HB1    A    0.000   5.000 100.0 1.0 1.0
  82  1   25 TRP  HN      A   22 VAL   HB2    A    0.000   5.000 100.0 1.0 1.0
  83  1   25 TRP  HN      A   24 ALA   HB1    A    0.000   5.000 100.0 1.0 1.0
  83  1   25 TRP  HN      A   24 ALA   HB2    A    0.000   5.000 100.0 1.0 1.0
  83  1   25 TRP  HN      A   24 ALA   HB3    A    0.000   5.000 100.0 1.0 1.0
  84  1    7 ARG  HN      A    5 THR   HN     A    0.000   3.300 100.0 1.0 1.0
  86  1    2 GLY  HN      A    3 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  87  1   20 LYS  HN      A   23 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  88  1   20 LYS  HN      A   16 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  89  1    7 ARG  HN      A    8 GLN   HN     A    0.000   5.000 100.0 1.0 1.0
  90  1    8 GLN  HN      A   12 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  91  1    7 ARG  HN      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  92  1    4 GLU  HN      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  93  1    8 GLN  HN      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  94  1   14 ILE  HN      A   13 GLU   HN     A    0.000   5.000 100.0 1.0 1.0
  95  1   23 ILE  HN      A   24 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  96  1   14 ILE  HN      A   12 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  97  1   16 LYS  HN      A   13 GLU   HN     A    0.000   5.000 100.0 1.0 1.0
  98  1    9 TYR  HN      A   13 GLU   HN     A    0.000   5.000 100.0 1.0 1.0
  99  1   17 LYS  HN      A   21 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
 100  1   21 ALA  HN      A   25 TRP   HN     A    0.000   5.000 100.0 1.0 1.0
 101  1   22 VAL  HN      A   25 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
 102  1    6 ILE  HN      A   10 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
 103  1   14 ILE  HN      A   17 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  42.824   2.411  -8.741
    2    H2   ALA   1           HT2      ALA   1  43.446   2.802  -7.209
    3    H3   ALA   1           HT3      ALA   1  44.415   1.984  -8.341
    4    HA   ALA   1           HA       ALA   1  45.237   3.972  -8.763
    5    HB1  ALA   1           HB1      ALA   1  42.568   4.459 -10.115
    6    HB2  ALA   1           HB2      ALA   1  43.751   3.275 -10.726
    7    HB3  ALA   1           HB3      ALA   1  44.184   4.999 -10.629
    8    H    GLY   2           HN       GLY   2  45.304   6.227  -8.391
    9    HA2  GLY   2           HA1      GLY   2  43.681   7.051  -6.069
   10    HA3  GLY   2           HA2      GLY   2  44.993   7.974  -6.847
   11    H    LYS   3           HN       LYS   3  42.092   6.469  -8.176
   12    HA   LYS   3           HA       LYS   3  41.228   9.174  -9.010
   13    HB2  LYS   3           HB2      LYS   3  40.264   6.399  -9.813
   14    HB3  LYS   3           HB1      LYS   3  39.406   7.887 -10.280
   15    HG2  LYS   3           HG2      LYS   3  41.355   8.706 -11.487
   16    HG3  LYS   3           HG1      LYS   3  42.341   7.345 -10.900
   17    HD2  LYS   3           HD2      LYS   3  40.719   5.778 -12.058
   18    HD3  LYS   3           HD1      LYS   3  39.947   7.210 -12.781
   19    HE2  LYS   3           HE2      LYS   3  42.768   6.169 -13.202
   20    HE3  LYS   3           HE1      LYS   3  41.514   6.502 -14.421
   21    HZ1  LYS   3           HZ1      LYS   3  43.021   8.481 -12.790
   22    HZ2  LYS   3           HZ2      LYS   3  41.669   8.881 -13.737
   23    HZ3  LYS   3           HZ3      LYS   3  43.075   8.275 -14.472
   24    H    GLU   4           HN       GLU   4  40.868   6.736  -6.812
   25    HA   GLU   4           HA       GLU   4  38.296   7.714  -5.752
   26    HB2  GLU   4           HB2      GLU   4  40.439   6.360  -4.046
   27    HB3  GLU   4           HB1      GLU   4  38.660   6.177  -3.991
   28    HG2  GLU   4           HG2      GLU   4  40.501   5.071  -6.157
   29    HG3  GLU   4           HG1      GLU   4  39.670   4.129  -4.897
   30    H    THR   5           HN       THR   5  41.504   8.641  -6.357
   31    HA   THR   5           HA       THR   5  43.010   9.825  -4.936
   32    HB   THR   5           HB       THR   5  40.982  12.079  -5.334
   33    HG1  THR   5           HG1      THR   5  40.877  11.598  -7.352
   34   HG21  THR   5          HG21      THR   5  42.952  13.386  -5.860
   35   HG22  THR   5          HG22      THR   5  43.970  11.926  -5.906
   36   HG23  THR   5          HG23      THR   5  43.282  12.485  -4.362
   37    H    ILE   6           HN       ILE   6  42.695   8.731  -3.266
   38    HA   ILE   6           HA       ILE   6  42.896   9.679  -0.819
   39    HB   ILE   6           HB       ILE   6  39.956   9.782  -1.564
   40   HG12  ILE   6          HG12      ILE   6  41.545  11.750  -0.829
   41   HG13  ILE   6          HG11      ILE   6  39.897  11.691  -0.177
   42   HG21  ILE   6          HG21      ILE   6  40.893   8.627   1.095
   43   HG22  ILE   6          HG22      ILE   6  39.812   7.876  -0.102
   44   HG23  ILE   6          HG23      ILE   6  39.270   9.295   0.816
   45   HD11  ILE   6           HD1      ILE   6  40.677  10.839   1.938
   46   HD12  ILE   6           HD2      ILE   6  41.755  12.185   1.509
   47   HD13  ILE   6           HD3      ILE   6  42.298  10.509   1.286
   48    H    ARG   7           HN       ARG   7  42.468   7.688  -3.347
   49    HA   ARG   7           HA       ARG   7  41.595   5.143  -2.264
   50    HB2  ARG   7           HB2      ARG   7  42.435   5.613  -4.683
   51    HB3  ARG   7           HB1      ARG   7  44.073   5.451  -4.030
   52    HG2  ARG   7           HG2      ARG   7  42.962   3.162  -3.000
   53    HG3  ARG   7           HG1      ARG   7  41.961   3.340  -4.458
   54    HD2  ARG   7           HD2      ARG   7  43.824   2.006  -5.126
   55    HD3  ARG   7           HD1      ARG   7  44.180   3.637  -5.743
   56    HE   ARG   7           HE       ARG   7  45.279   3.135  -3.072
   57   HH11  ARG   7          HH11      ARG   7  47.090   1.398  -3.579
   58   HH12  ARG   7          HH12      ARG   7  48.212   1.985  -4.760
   59   HH21  ARG   7          HH21      ARG   7  46.136   4.539  -5.853
   60   HH22  ARG   7          HH22      ARG   7  47.672   3.762  -6.049
   61    H    GLN   8           HN       GLN   8  44.300   7.087  -1.868
   62    HA   GLN   8           HA       GLN   8  45.393   6.841   0.436
   63    HB2  GLN   8           HB2      GLN   8  45.889   4.121  -0.842
   64    HB3  GLN   8           HB1      GLN   8  47.156   4.837   0.168
   65    HG2  GLN   8           HG2      GLN   8  45.822   4.835   2.117
   66    HG3  GLN   8           HG1      GLN   8  44.305   4.676   1.211
   67   HE21  GLN   8          HE21      GLN   8  44.950   2.521  -0.543
   68   HE22  GLN   8          HE22      GLN   8  45.242   1.079   0.434
   69    H    TYR   9           HN       TYR   9  45.346   7.157  -2.729
   70    HA   TYR   9           HA       TYR   9  48.152   7.581  -3.360
   71    HB2  TYR   9           HB2      TYR   9  46.282   7.145  -5.040
   72    HB3  TYR   9           HB1      TYR   9  45.728   8.809  -4.734
   73    HD1  TYR   9           HD1      TYR   9  47.145  10.750  -5.347
   74    HD2  TYR   9           HD2      TYR   9  48.345   6.706  -6.259
   75    HE1  TYR   9           HE1      TYR   9  48.862  11.616  -6.932
   76    HE2  TYR   9           HE2      TYR   9  50.060   7.571  -7.845
   77    HH   TYR   9           HH       TYR   9  50.309  10.311  -9.130
   78    H    LEU  10           HN       LEU  10  45.579   9.300  -1.763
   79    HA   LEU  10           HA       LEU  10  46.793  11.966  -2.073
   80    HB2  LEU  10           HB2      LEU  10  44.384  11.655  -1.536
   81    HB3  LEU  10           HB1      LEU  10  44.825  10.890   0.004
   82    HG   LEU  10           HG       LEU  10  46.110  13.570  -0.424
   83   HD11  LEU  10          HD11      LEU  10  43.089  13.376  -0.051
   84   HD12  LEU  10          HD12      LEU  10  43.924  14.025  -1.481
   85   HD13  LEU  10          HD13      LEU  10  44.061  14.860   0.085
   86   HD21  LEU  10          HD21      LEU  10  44.342  12.615   1.869
   87   HD22  LEU  10          HD22      LEU  10  45.617  13.858   1.904
   88   HD23  LEU  10          HD23      LEU  10  46.050  12.142   1.723
   89    H    LYS  11           HN       LYS  11  47.529   9.136  -0.633
   90    HA   LYS  11           HA       LYS  11  49.470  10.334   1.344
   91    HB2  LYS  11           HB2      LYS  11  47.937   7.720   1.541
   92    HB3  LYS  11           HB1      LYS  11  49.097   8.369   2.723
   93    HG2  LYS  11           HG2      LYS  11  47.618  10.197   3.291
   94    HG3  LYS  11           HG1      LYS  11  46.550   9.835   1.919
   95    HD2  LYS  11           HD2      LYS  11  45.626   9.019   4.097
   96    HD3  LYS  11           HD1      LYS  11  45.894   7.706   2.927
   97    HE2  LYS  11           HE2      LYS  11  47.814   6.916   4.069
   98    HE3  LYS  11           HE1      LYS  11  48.030   8.444   4.959
   99    HZ1  LYS  11           HZ1      LYS  11  46.686   7.728   6.553
  100    HZ2  LYS  11           HZ2      LYS  11  46.696   6.195   5.824
  101    HZ3  LYS  11           HZ3      LYS  11  45.466   7.306   5.454
  102    H    ASN  12           HN       ASN  12  48.993   8.779  -1.552
  103    HA   ASN  12           HA       ASN  12  50.418   7.363  -2.743
  104    HB2  ASN  12           HB2      ASN  12  51.865   9.327  -2.451
  105    HB3  ASN  12           HB1      ASN  12  52.502   8.601  -0.960
  106   HD21  ASN  12          HD21      ASN  12  54.681   8.333  -1.794
  107   HD22  ASN  12          HD22      ASN  12  55.034   7.170  -3.076
  108    H    GLU  13           HN       GLU  13  49.401   6.675   0.166
  109    HA   GLU  13           HA       GLU  13  49.412   4.713   1.435
  110    HB2  GLU  13           HB2      GLU  13  50.026   3.648  -0.902
  111    HB3  GLU  13           HB1      GLU  13  51.665   3.537  -0.224
  112    HG2  GLU  13           HG2      GLU  13  50.790   2.273   1.716
  113    HG3  GLU  13           HG1      GLU  13  49.143   2.383   1.048
  114    H    ILE  14           HN       ILE  14  51.786   6.847   0.882
  115    HA   ILE  14           HA       ILE  14  53.442   6.231   3.282
  116    HB   ILE  14           HB       ILE  14  55.118   7.453   1.385
  117   HG12  ILE  14          HG12      ILE  14  53.680   5.045   0.251
  118   HG13  ILE  14          HG11      ILE  14  53.682   6.703  -0.385
  119   HG21  ILE  14          HG21      ILE  14  56.579   5.617   1.748
  120   HG22  ILE  14          HG22      ILE  14  55.232   4.505   2.083
  121   HG23  ILE  14          HG23      ILE  14  55.675   5.749   3.267
  122   HD11  ILE  14           HD1      ILE  14  56.266   6.451  -0.510
  123   HD12  ILE  14           HD2      ILE  14  55.288   5.594  -1.726
  124   HD13  ILE  14           HD3      ILE  14  55.957   4.706  -0.337
  125    H    LYS  15           HN       LYS  15  51.601   8.676   1.585
  126    HA   LYS  15           HA       LYS  15  51.635  10.910   2.215
  127    HB2  LYS  15           HB2      LYS  15  52.697   9.864   4.855
  128    HB3  LYS  15           HB1      LYS  15  52.064  11.484   4.577
  129    HG2  LYS  15           HG2      LYS  15  49.899  10.360   3.836
  130    HG3  LYS  15           HG1      LYS  15  50.576   8.846   4.477
  131    HD2  LYS  15           HD2      LYS  15  50.463  11.345   6.219
  132    HD3  LYS  15           HD1      LYS  15  49.038  10.304   6.034
  133    HE2  LYS  15           HE2      LYS  15  50.239   8.380   6.899
  134    HE3  LYS  15           HE1      LYS  15  51.773   9.277   6.909
  135    HZ1  LYS  15           HZ1      LYS  15  50.888  10.768   8.553
  136    HZ2  LYS  15           HZ2      LYS  15  50.705   9.172   9.105
  137    HZ3  LYS  15           HZ3      LYS  15  49.367  10.021   8.493
  138    H    LYS  16           HN       LYS  16  53.408   9.248   0.813
  139    HA   LYS  16           HA       LYS  16  55.568   9.205  -0.036
  140    HB2  LYS  16           HB2      LYS  16  55.226  12.109   0.786
  141    HB3  LYS  16           HB1      LYS  16  56.655  11.506  -0.106
  142    HG2  LYS  16           HG2      LYS  16  53.870  10.828  -1.142
  143    HG3  LYS  16           HG1      LYS  16  54.513  12.442  -1.462
  144    HD2  LYS  16           HD2      LYS  16  56.600  11.295  -2.432
  145    HD3  LYS  16           HD1      LYS  16  55.704   9.766  -2.305
  146    HE2  LYS  16           HE2      LYS  16  53.878  10.754  -3.695
  147    HE3  LYS  16           HE1      LYS  16  54.860  12.227  -3.888
  148    HZ1  LYS  16           HZ1      LYS  16  56.628  10.810  -4.836
  149    HZ2  LYS  16           HZ2      LYS  16  55.203  10.793  -5.763
  150    HZ3  LYS  16           HZ3      LYS  16  55.585   9.474  -4.762
  151    H    LYS  17           HN       LYS  17  54.830   8.523   2.691
  152    HA   LYS  17           HA       LYS  17  56.047   7.681   4.465
  153    HB2  LYS  17           HB2      LYS  17  58.180   8.148   2.964
  154    HB3  LYS  17           HB1      LYS  17  58.379   9.557   4.025
  155    HG2  LYS  17           HG2      LYS  17  58.401   8.103   6.011
  156    HG3  LYS  17           HG1      LYS  17  58.099   6.674   4.994
  157    HD2  LYS  17           HD2      LYS  17  60.248   7.272   3.734
  158    HD3  LYS  17           HD1      LYS  17  60.574   8.444   5.032
  159    HE2  LYS  17           HE2      LYS  17  60.191   5.438   5.358
  160    HE3  LYS  17           HE1      LYS  17  61.713   6.341   5.547
  161    HZ1  LYS  17           HZ1      LYS  17  60.843   6.024   7.700
  162    HZ2  LYS  17           HZ2      LYS  17  59.276   6.494   7.240
  163    HZ3  LYS  17           HZ3      LYS  17  60.525   7.645   7.318
  164    H    GLY  18           HN       GLY  18  54.278  10.315   4.136
  165    HA2  GLY  18           HA1      GLY  18  53.610  11.241   6.474
  166    HA3  GLY  18           HA2      GLY  18  55.331  11.622   6.688
  167    H    ARG  19           HN       ARG  19  53.523  12.017   3.682
  168    HA   ARG  19           HA       ARG  19  53.483  13.902   2.373
  169    HB2  ARG  19           HB2      ARG  19  53.017  15.034   5.156
  170    HB3  ARG  19           HB1      ARG  19  53.438  16.168   3.856
  171    HG2  ARG  19           HG2      ARG  19  51.229  14.123   3.408
  172    HG3  ARG  19           HG1      ARG  19  50.887  15.596   4.343
  173    HD2  ARG  19           HD2      ARG  19  51.722  16.980   2.443
  174    HD3  ARG  19           HD1      ARG  19  51.997  15.497   1.499
  175    HE   ARG  19           HE       ARG  19  49.310  15.395   2.323
  176   HH11  ARG  19          HH11      ARG  19  51.406  16.857   0.064
  177   HH12  ARG  19          HH12      ARG  19  50.153  17.705  -0.778
  178   HH21  ARG  19          HH21      ARG  19  47.659  16.758   1.438
  179   HH22  ARG  19          HH22      ARG  19  48.031  17.649   0.000
  180    H    LYS  20           HN       LYS  20  55.820  12.455   3.814
  181    HA   LYS  20           HA       LYS  20  57.738  14.481   4.477
  182    HB2  LYS  20           HB2      LYS  20  58.398  11.903   3.196
  183    HB3  LYS  20           HB1      LYS  20  59.518  13.262   3.512
  184    HG2  LYS  20           HG2      LYS  20  58.797  13.113   5.981
  185    HG3  LYS  20           HG1      LYS  20  58.040  11.567   5.574
  186    HD2  LYS  20           HD2      LYS  20  60.253  10.759   4.702
  187    HD3  LYS  20           HD1      LYS  20  60.975  12.282   5.247
  188    HE2  LYS  20           HE2      LYS  20  61.260  10.405   6.896
  189    HE3  LYS  20           HE1      LYS  20  60.387  11.805   7.562
  190    HZ1  LYS  20           HZ1      LYS  20  59.516   9.227   7.585
  191    HZ2  LYS  20           HZ2      LYS  20  58.657   9.899   6.283
  192    HZ3  LYS  20           HZ3      LYS  20  58.549  10.599   7.829
  193    H    ALA  21           HN       ALA  21  56.447  13.159   1.634
  194    HA   ALA  21           HA       ALA  21  58.432  14.112  -0.212
  195    HB1  ALA  21           HB1      ALA  21  56.564  13.371  -1.364
  196    HB2  ALA  21           HB2      ALA  21  56.287  15.110  -1.493
  197    HB3  ALA  21           HB3      ALA  21  55.476  14.178  -0.224
  198    H    VAL  22           HN       VAL  22  58.065  15.319   2.186
  199    HA   VAL  22           HA       VAL  22  59.239  17.746   1.931
  200    HB   VAL  22           HB       VAL  22  57.431  18.812   0.663
  201   HG11  VAL  22          HG11      VAL  22  55.693  18.009   3.035
  202   HG12  VAL  22          HG12      VAL  22  55.596  17.351   1.384
  203   HG13  VAL  22          HG13      VAL  22  55.168  19.051   1.693
  204   HG21  VAL  22          HG21      VAL  22  57.095  20.784   1.972
  205   HG22  VAL  22          HG22      VAL  22  58.657  20.121   2.506
  206   HG23  VAL  22          HG23      VAL  22  57.202  19.882   3.503
  207    H    ILE  23           HN       ILE  23  56.899  15.969   4.114
  208    HA   ILE  23           HA       ILE  23  57.825  17.744   6.246
  209    HB   ILE  23           HB       ILE  23  56.966  14.815   6.517
  210   HG12  ILE  23          HG12      ILE  23  55.173  16.100   5.460
  211   HG13  ILE  23          HG11      ILE  23  54.741  15.785   7.153
  212   HG21  ILE  23          HG21      ILE  23  56.328  15.880   8.887
  213   HG22  ILE  23          HG22      ILE  23  57.625  17.023   8.472
  214   HG23  ILE  23          HG23      ILE  23  57.969  15.284   8.560
  215   HD11  ILE  23           HD1      ILE  23  55.609  18.386   5.851
  216   HD12  ILE  23           HD2      ILE  23  55.812  18.149   7.600
  217   HD13  ILE  23           HD3      ILE  23  54.195  18.065   6.877
  218    H    ALA  24           HN       ALA  24  59.530  15.966   3.967
  219    HA   ALA  24           HA       ALA  24  62.019  16.321   4.853
  220    HB1  ALA  24           HB1      ALA  24  62.623  14.078   6.166
  221    HB2  ALA  24           HB2      ALA  24  60.914  14.164   6.648
  222    HB3  ALA  24           HB3      ALA  24  62.021  15.499   7.042
  223    H    TRP  25           HN       TRP  25  60.637  15.715   2.608
  224    HA   TRP  25           HA       TRP  25  60.767  14.469   0.639
  225    HB2  TRP  25           HB2      TRP  25  63.601  14.047   1.669
  226    HB3  TRP  25           HB1      TRP  25  63.059  13.815  -0.011
  227    HD1  TRP  25           HD1      TRP  25  63.848  16.507   2.559
  228    HE1  TRP  25           HE1      TRP  25  63.913  18.839   1.409
  229    HE3  TRP  25           HE3      TRP  25  62.064  15.182  -2.054
  230    HZ2  TRP  25           HZ2      TRP  25  63.270  19.945  -1.172
  231    HZ3  TRP  25           HZ3      TRP  25  61.798  16.892  -3.844
  232    HH2  TRP  25           HH2      TRP  25  62.399  19.269  -3.408
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  45.979   2.620  -7.589
    2    H2   ALA   1           HT2      ALA   1  44.476   1.869  -7.333
    3    H3   ALA   1           HT3      ALA   1  45.094   2.958  -6.184
    4    HA   ALA   1           HA       ALA   1  44.961   4.148  -8.736
    5    HB1  ALA   1           HB1      ALA   1  42.387   4.250  -8.664
    6    HB2  ALA   1           HB2      ALA   1  42.484   2.825  -7.603
    7    HB3  ALA   1           HB3      ALA   1  43.125   2.745  -9.259
    8    H    GLY   2           HN       GLY   2  43.000   5.952  -8.306
    9    HA2  GLY   2           HA1      GLY   2  43.002   6.957  -5.561
   10    HA3  GLY   2           HA2      GLY   2  44.085   7.867  -6.641
   11    H    LYS   3           HN       LYS   3  41.012   6.222  -7.234
   12    HA   LYS   3           HA       LYS   3  39.918   8.850  -8.036
   13    HB2  LYS   3           HB2      LYS   3  39.582   6.784  -9.553
   14    HB3  LYS   3           HB1      LYS   3  38.512   6.165  -8.272
   15    HG2  LYS   3           HG2      LYS   3  37.103   8.191  -8.461
   16    HG3  LYS   3           HG1      LYS   3  38.175   8.822  -9.735
   17    HD2  LYS   3           HD2      LYS   3  37.687   6.752 -11.088
   18    HD3  LYS   3           HD1      LYS   3  36.498   6.277  -9.850
   19    HE2  LYS   3           HE2      LYS   3  35.185   8.286 -10.252
   20    HE3  LYS   3           HE1      LYS   3  36.428   8.929 -11.351
   21    HZ1  LYS   3           HZ1      LYS   3  34.282   7.411 -12.074
   22    HZ2  LYS   3           HZ2      LYS   3  35.557   6.288 -12.070
   23    HZ3  LYS   3           HZ3      LYS   3  35.662   7.693 -13.020
   24    H    GLU   4           HN       GLU   4  40.054   6.538  -5.683
   25    HA   GLU   4           HA       GLU   4  37.754   7.605  -4.169
   26    HB2  GLU   4           HB2      GLU   4  40.166   6.268  -2.859
   27    HB3  GLU   4           HB1      GLU   4  38.427   6.114  -2.469
   28    HG2  GLU   4           HG2      GLU   4  39.826   4.901  -4.894
   29    HG3  GLU   4           HG1      GLU   4  39.222   4.020  -3.471
   30    H    THR   5           HN       THR   5  40.760   8.480  -5.476
   31    HA   THR   5           HA       THR   5  42.549   9.673  -4.419
   32    HB   THR   5           HB       THR   5  41.599  11.273  -5.973
   33    HG1  THR   5           HG1      THR   5  41.682  12.582  -3.455
   34   HG21  THR   5          HG21      THR   5  39.533  12.012  -3.863
   35   HG22  THR   5          HG22      THR   5  39.217  10.859  -5.181
   36   HG23  THR   5          HG23      THR   5  39.599  12.556  -5.555
   37    H    ILE   6           HN       ILE   6  42.578   8.603  -2.705
   38    HA   ILE   6           HA       ILE   6  43.298   9.551  -0.356
   39    HB   ILE   6           HB       ILE   6  40.257   9.683  -0.472
   40   HG12  ILE   6          HG12      ILE   6  41.975  11.165   1.545
   41   HG13  ILE   6          HG11      ILE   6  42.124  11.635  -0.158
   42   HG21  ILE   6          HG21      ILE   6  40.200   9.365   2.059
   43   HG22  ILE   6          HG22      ILE   6  41.836   8.686   1.936
   44   HG23  ILE   6          HG23      ILE   6  40.472   7.883   1.116
   45   HD11  ILE   6           HD1      ILE   6  39.653  11.968  -0.271
   46   HD12  ILE   6           HD2      ILE   6  40.414  13.008   0.957
   47   HD13  ILE   6           HD3      ILE   6  39.531  11.545   1.453
   48    H    ARG   7           HN       ARG   7  42.323   7.571  -2.714
   49    HA   ARG   7           HA       ARG   7  41.652   5.049  -1.445
   50    HB2  ARG   7           HB2      ARG   7  41.920   5.566  -4.001
   51    HB3  ARG   7           HB1      ARG   7  43.648   5.279  -3.749
   52    HG2  ARG   7           HG2      ARG   7  43.189   3.025  -2.897
   53    HG3  ARG   7           HG1      ARG   7  41.437   3.302  -3.038
   54    HD2  ARG   7           HD2      ARG   7  41.848   3.762  -5.531
   55    HD3  ARG   7           HD1      ARG   7  43.488   3.118  -5.277
   56    HE   ARG   7           HE       ARG   7  42.551   0.944  -5.088
   57   HH11  ARG   7          HH11      ARG   7  40.348   2.466  -6.770
   58   HH12  ARG   7          HH12      ARG   7  38.929   1.784  -6.045
   59   HH21  ARG   7          HH21      ARG   7  40.635   0.454  -3.332
   60   HH22  ARG   7          HH22      ARG   7  39.092   0.644  -4.098
   61    H    GLN   8           HN       GLN   8  44.365   6.995  -1.628
   62    HA   GLN   8           HA       GLN   8  45.958   6.730   0.335
   63    HB2  GLN   8           HB2      GLN   8  46.174   4.006  -1.024
   64    HB3  GLN   8           HB1      GLN   8  47.591   4.712  -0.231
   65    HG2  GLN   8           HG2      GLN   8  46.644   4.628   1.914
   66    HG3  GLN   8           HG1      GLN   8  44.976   4.611   1.308
   67   HE21  GLN   8          HE21      GLN   8  45.035   2.676   2.996
   68   HE22  GLN   8          HE22      GLN   8  45.434   1.099   2.307
   69    H    TYR   9           HN       TYR   9  45.183   7.366  -2.555
   70    HA   TYR   9           HA       TYR   9  47.861   7.693  -3.805
   71    HB2  TYR   9           HB2      TYR   9  45.838   7.134  -5.176
   72    HB3  TYR   9           HB1      TYR   9  45.128   8.696  -4.701
   73    HD1  TYR   9           HD1      TYR   9  45.876  10.768  -5.691
   74    HD2  TYR   9           HD2      TYR   9  47.960   7.080  -6.519
   75    HE1  TYR   9           HE1      TYR   9  47.155  11.898  -7.507
   76    HE2  TYR   9           HE2      TYR   9  49.240   8.210  -8.334
   77    HH   TYR   9           HH       TYR   9  49.684  10.144  -9.339
   78    H    LEU  10           HN       LEU  10  45.651   9.300  -1.720
   79    HA   LEU  10           HA       LEU  10  46.849  11.997  -2.271
   80    HB2  LEU  10           HB2      LEU  10  44.320  11.266  -1.559
   81    HB3  LEU  10           HB1      LEU  10  44.997  11.501   0.060
   82    HG   LEU  10           HG       LEU  10  43.951  13.568  -0.681
   83   HD11  LEU  10          HD11      LEU  10  46.109  13.676   0.607
   84   HD12  LEU  10          HD12      LEU  10  45.775  15.119  -0.376
   85   HD13  LEU  10          HD13      LEU  10  46.966  13.925  -0.931
   86   HD21  LEU  10          HD21      LEU  10  44.461  12.899  -3.243
   87   HD22  LEU  10          HD22      LEU  10  45.869  13.955  -2.997
   88   HD23  LEU  10          HD23      LEU  10  44.229  14.592  -2.759
   89    H    LYS  11           HN       LYS  11  47.563   9.214  -0.890
   90    HA   LYS  11           HA       LYS  11  49.420  10.370   1.188
   91    HB2  LYS  11           HB2      LYS  11  47.843   7.780   1.339
   92    HB3  LYS  11           HB1      LYS  11  48.992   8.398   2.550
   93    HG2  LYS  11           HG2      LYS  11  47.545  10.323   3.003
   94    HG3  LYS  11           HG1      LYS  11  46.438   9.836   1.697
   95    HD2  LYS  11           HD2      LYS  11  46.128   7.625   2.961
   96    HD3  LYS  11           HD1      LYS  11  46.976   8.392   4.323
   97    HE2  LYS  11           HE2      LYS  11  44.394   9.341   3.011
   98    HE3  LYS  11           HE1      LYS  11  44.578   8.670   4.649
   99    HZ1  LYS  11           HZ1      LYS  11  44.545  10.977   4.929
  100    HZ2  LYS  11           HZ2      LYS  11  45.557  11.263   3.594
  101    HZ3  LYS  11           HZ3      LYS  11  46.192  10.579   5.014
  102    H    ASN  12           HN       ASN  12  48.993   8.838  -1.719
  103    HA   ASN  12           HA       ASN  12  50.415   7.416  -2.886
  104    HB2  ASN  12           HB2      ASN  12  51.859   9.376  -2.580
  105    HB3  ASN  12           HB1      ASN  12  52.484   8.652  -1.085
  106   HD21  ASN  12          HD21      ASN  12  51.703   6.325  -3.559
  107   HD22  ASN  12          HD22      ASN  12  53.355   6.060  -4.123
  108    H    GLU  13           HN       GLU  13  49.405   6.720   0.051
  109    HA   GLU  13           HA       GLU  13  49.406   4.741   1.293
  110    HB2  GLU  13           HB2      GLU  13  50.032   3.721  -1.079
  111    HB3  GLU  13           HB1      GLU  13  51.651   3.556  -0.366
  112    HG2  GLU  13           HG2      GLU  13  50.636   2.316   1.564
  113    HG3  GLU  13           HG1      GLU  13  49.059   2.397   0.744
  114    H    ILE  14           HN       ILE  14  51.720   6.906   0.795
  115    HA   ILE  14           HA       ILE  14  53.409   6.248   3.156
  116    HB   ILE  14           HB       ILE  14  55.032   7.544   1.232
  117   HG12  ILE  14          HG12      ILE  14  53.647   5.084   0.144
  118   HG13  ILE  14          HG11      ILE  14  53.611   6.734  -0.505
  119   HG21  ILE  14          HG21      ILE  14  55.257   4.611   1.965
  120   HG22  ILE  14          HG22      ILE  14  55.674   5.884   3.128
  121   HG23  ILE  14          HG23      ILE  14  56.561   5.763   1.599
  122   HD11  ILE  14           HD1      ILE  14  55.221   5.641  -1.854
  123   HD12  ILE  14           HD2      ILE  14  55.927   4.790  -0.461
  124   HD13  ILE  14           HD3      ILE  14  56.193   6.539  -0.664
  125    H    LYS  15           HN       LYS  15  51.528   8.696   1.494
  126    HA   LYS  15           HA       LYS  15  51.517  10.925   2.132
  127    HB2  LYS  15           HB2      LYS  15  52.565   9.856   4.777
  128    HB3  LYS  15           HB1      LYS  15  51.989  11.504   4.507
  129    HG2  LYS  15           HG2      LYS  15  49.787  10.489   3.760
  130    HG3  LYS  15           HG1      LYS  15  50.406   8.927   4.352
  131    HD2  LYS  15           HD2      LYS  15  50.723   9.883   6.603
  132    HD3  LYS  15           HD1      LYS  15  50.148  11.465   6.026
  133    HE2  LYS  15           HE2      LYS  15  47.965  10.428   5.418
  134    HE3  LYS  15           HE1      LYS  15  48.539   8.873   6.064
  135    HZ1  LYS  15           HZ1      LYS  15  48.797   9.885   8.225
  136    HZ2  LYS  15           HZ2      LYS  15  47.209  10.134   7.675
  137    HZ3  LYS  15           HZ3      LYS  15  48.338  11.403   7.624
  138    H    LYS  16           HN       LYS  16  53.328   9.334   0.717
  139    HA   LYS  16           HA       LYS  16  55.502   9.340  -0.118
  140    HB2  LYS  16           HB2      LYS  16  55.221  12.229   0.788
  141    HB3  LYS  16           HB1      LYS  16  56.568  11.594  -0.183
  142    HG2  LYS  16           HG2      LYS  16  55.153  12.361  -1.917
  143    HG3  LYS  16           HG1      LYS  16  54.592  10.691  -1.775
  144    HD2  LYS  16           HD2      LYS  16  52.707  11.380  -0.392
  145    HD3  LYS  16           HD1      LYS  16  53.324  13.046  -0.302
  146    HE2  LYS  16           HE2      LYS  16  53.007  13.354  -2.693
  147    HE3  LYS  16           HE1      LYS  16  52.564  11.642  -2.897
  148    HZ1  LYS  16           HZ1      LYS  16  50.545  12.789  -2.791
  149    HZ2  LYS  16           HZ2      LYS  16  51.053  13.788  -1.514
  150    HZ3  LYS  16           HZ3      LYS  16  50.728  12.144  -1.233
  151    H    LYS  17           HN       LYS  17  54.804   8.530   2.562
  152    HA   LYS  17           HA       LYS  17  55.968   7.789   4.385
  153    HB2  LYS  17           HB2      LYS  17  58.070   8.100   2.868
  154    HB3  LYS  17           HB1      LYS  17  58.335   9.578   3.798
  155    HG2  LYS  17           HG2      LYS  17  58.235   8.215   5.912
  156    HG3  LYS  17           HG1      LYS  17  58.107   6.752   4.910
  157    HD2  LYS  17           HD2      LYS  17  60.411   8.754   4.823
  158    HD3  LYS  17           HD1      LYS  17  60.452   7.175   5.638
  159    HE2  LYS  17           HE2      LYS  17  59.740   6.237   3.264
  160    HE3  LYS  17           HE1      LYS  17  60.389   7.787   2.673
  161    HZ1  LYS  17           HZ1      LYS  17  62.407   6.935   2.859
  162    HZ2  LYS  17           HZ2      LYS  17  61.790   5.487   3.500
  163    HZ3  LYS  17           HZ3      LYS  17  62.199   6.772   4.535
  164    H    GLY  18           HN       GLY  18  54.133  10.306   4.080
  165    HA2  GLY  18           HA1      GLY  18  53.477  11.341   6.338
  166    HA3  GLY  18           HA2      GLY  18  55.194  11.707   6.584
  167    H    ARG  19           HN       ARG  19  53.353  12.144   3.572
  168    HA   ARG  19           HA       ARG  19  53.427  14.044   2.239
  169    HB2  ARG  19           HB2      ARG  19  52.704  15.005   4.988
  170    HB3  ARG  19           HB1      ARG  19  53.461  16.254   3.972
  171    HG2  ARG  19           HG2      ARG  19  51.769  15.775   2.188
  172    HG3  ARG  19           HG1      ARG  19  50.994  14.588   3.264
  173    HD2  ARG  19           HD2      ARG  19  49.868  16.821   3.342
  174    HD3  ARG  19           HD1      ARG  19  50.534  16.339   4.921
  175    HE   ARG  19           HE       ARG  19  52.501  17.877   3.519
  176   HH11  ARG  19          HH11      ARG  19  49.639  19.178   3.209
  177   HH12  ARG  19          HH12      ARG  19  49.742  20.374   4.458
  178   HH21  ARG  19          HH21      ARG  19  52.553  18.976   5.930
  179   HH22  ARG  19          HH22      ARG  19  51.393  20.260   5.999
  180    H    LYS  20           HN       LYS  20  55.679  12.559   3.747
  181    HA   LYS  20           HA       LYS  20  57.545  14.605   4.502
  182    HB2  LYS  20           HB2      LYS  20  58.183  11.896   3.591
  183    HB3  LYS  20           HB1      LYS  20  59.362  13.227   3.858
  184    HG2  LYS  20           HG2      LYS  20  58.662  13.465   6.200
  185    HG3  LYS  20           HG1      LYS  20  57.407  12.235   6.010
  186    HD2  LYS  20           HD2      LYS  20  59.078  10.492   5.729
  187    HD3  LYS  20           HD1      LYS  20  60.383  11.691   5.633
  188    HE2  LYS  20           HE2      LYS  20  60.365  10.721   7.870
  189    HE3  LYS  20           HE1      LYS  20  59.801  12.403   7.982
  190    HZ1  LYS  20           HZ1      LYS  20  58.483  10.464   9.112
  191    HZ2  LYS  20           HZ2      LYS  20  57.818  10.275   7.560
  192    HZ3  LYS  20           HZ3      LYS  20  57.663  11.755   8.378
  193    H    ALA  21           HN       ALA  21  56.625  13.106   1.589
  194    HA   ALA  21           HA       ALA  21  58.891  13.927   0.030
  195    HB1  ALA  21           HB1      ALA  21  57.262  13.211  -1.451
  196    HB2  ALA  21           HB2      ALA  21  56.975  14.946  -1.602
  197    HB3  ALA  21           HB3      ALA  21  55.997  13.992  -0.485
  198    H    VAL  22           HN       VAL  22  58.151  15.254   2.277
  199    HA   VAL  22           HA       VAL  22  59.403  17.674   1.972
  200    HB   VAL  22           HB       VAL  22  56.966  18.199   0.727
  201   HG11  VAL  22          HG11      VAL  22  55.859  18.052   3.018
  202   HG12  VAL  22          HG12      VAL  22  55.581  19.561   2.123
  203   HG13  VAL  22          HG13      VAL  22  56.760  19.520   3.456
  204   HG21  VAL  22          HG21      VAL  22  58.728  20.205   2.200
  205   HG22  VAL  22          HG22      VAL  22  57.578  20.594   0.898
  206   HG23  VAL  22          HG23      VAL  22  59.005  19.587   0.554
  207    H    ILE  23           HN       ILE  23  56.870  16.098   4.162
  208    HA   ILE  23           HA       ILE  23  57.872  17.888   6.238
  209    HB   ILE  23           HB       ILE  23  56.752  15.047   6.538
  210   HG12  ILE  23          HG12      ILE  23  55.563  17.829   6.981
  211   HG13  ILE  23          HG11      ILE  23  55.188  16.757   5.616
  212   HG21  ILE  23          HG21      ILE  23  58.011  15.349   8.509
  213   HG22  ILE  23          HG22      ILE  23  56.443  16.019   8.986
  214   HG23  ILE  23          HG23      ILE  23  57.764  17.110   8.523
  215   HD11  ILE  23           HD1      ILE  23  53.421  16.099   6.960
  216   HD12  ILE  23           HD2      ILE  23  54.223  16.637   8.451
  217   HD13  ILE  23           HD3      ILE  23  54.645  15.066   7.736
  218    H    ALA  24           HN       ALA  24  59.556  15.951   4.072
  219    HA   ALA  24           HA       ALA  24  62.054  16.226   4.981
  220    HB1  ALA  24           HB1      ALA  24  60.826  14.193   6.844
  221    HB2  ALA  24           HB2      ALA  24  61.950  15.522   7.212
  222    HB3  ALA  24           HB3      ALA  24  62.546  14.055   6.418
  223    H    TRP  25           HN       TRP  25  60.827  15.603   2.655
  224    HA   TRP  25           HA       TRP  25  61.101  14.295   0.758
  225    HB2  TRP  25           HB2      TRP  25  63.491  13.089   2.192
  226    HB3  TRP  25           HB1      TRP  25  63.225  13.225   0.438
  227    HD1  TRP  25           HD1      TRP  25  64.442  15.151   3.443
  228    HE1  TRP  25           HE1      TRP  25  65.302  17.498   2.728
  229    HE3  TRP  25           HE3      TRP  25  62.782  15.178  -1.400
  230    HZ2  TRP  25           HZ2      TRP  25  65.258  19.138   0.362
  231    HZ3  TRP  25           HZ3      TRP  25  63.202  17.144  -2.867
  232    HH2  TRP  25           HH2      TRP  25  64.437  19.122  -1.993
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  43.709   3.784  -8.577
    2    H2   ALA   1           HT2      ALA   1  42.216   3.939  -9.373
    3    H3   ALA   1           HT3      ALA   1  42.351   4.336  -7.726
    4    HA   ALA   1           HA       ALA   1  44.233   5.777  -9.238
    5    HB1  ALA   1           HB1      ALA   1  42.455   5.375 -10.998
    6    HB2  ALA   1           HB2      ALA   1  42.770   7.084 -10.610
    7    HB3  ALA   1           HB3      ALA   1  41.327   6.273  -9.954
    8    H    GLY   2           HN       GLY   2  44.374   7.895  -8.445
    9    HA2  GLY   2           HA1      GLY   2  43.183   8.224  -5.767
   10    HA3  GLY   2           HA2      GLY   2  44.340   9.318  -6.575
   11    H    LYS   3           HN       LYS   3  41.284   8.014  -7.678
   12    HA   LYS   3           HA       LYS   3  40.231  10.789  -7.718
   13    HB2  LYS   3           HB2      LYS   3  39.316   8.251  -9.132
   14    HB3  LYS   3           HB1      LYS   3  38.296   9.706  -9.042
   15    HG2  LYS   3           HG2      LYS   3  40.012  11.028 -10.189
   16    HG3  LYS   3           HG1      LYS   3  41.116   9.631 -10.202
   17    HD2  LYS   3           HD2      LYS   3  39.478   8.359 -11.572
   18    HD3  LYS   3           HD1      LYS   3  38.401   9.777 -11.584
   19    HE2  LYS   3           HE2      LYS   3  40.321  11.101 -12.602
   20    HE3  LYS   3           HE1      LYS   3  41.190   9.558 -12.788
   21    HZ1  LYS   3           HZ1      LYS   3  39.958   9.039 -14.547
   22    HZ2  LYS   3           HZ2      LYS   3  39.364  10.630 -14.536
   23    HZ3  LYS   3           HZ3      LYS   3  38.504   9.394 -13.751
   24    H    GLU   4           HN       GLU   4  40.285   7.826  -6.265
   25    HA   GLU   4           HA       GLU   4  37.849   8.251  -4.674
   26    HB2  GLU   4           HB2      GLU   4  39.665   6.092  -5.069
   27    HB3  GLU   4           HB1      GLU   4  40.089   6.674  -3.438
   28    HG2  GLU   4           HG2      GLU   4  37.621   6.546  -2.852
   29    HG3  GLU   4           HG1      GLU   4  37.336   5.771  -4.429
   30    H    THR   5           HN       THR   5  40.893   9.611  -5.359
   31    HA   THR   5           HA       THR   5  42.510  10.517  -3.819
   32    HB   THR   5           HB       THR   5  40.229  12.541  -3.512
   33    HG1  THR   5           HG1      THR   5  40.868  11.489  -5.738
   34   HG21  THR   5          HG21      THR   5  43.251  12.765  -3.800
   35   HG22  THR   5          HG22      THR   5  42.271  13.160  -2.369
   36   HG23  THR   5          HG23      THR   5  42.141  14.154  -3.839
   37    H    ILE   6           HN       ILE   6  42.254   8.900  -2.575
   38    HA   ILE   6           HA       ILE   6  42.650   9.204   0.078
   39    HB   ILE   6           HB       ILE   6  39.921   9.725  -0.044
   40   HG12  ILE   6          HG12      ILE   6  39.851   8.534   2.325
   41   HG13  ILE   6          HG11      ILE   6  41.585   8.268   2.033
   42   HG21  ILE   6          HG21      ILE   6  38.559   7.809   0.263
   43   HG22  ILE   6          HG22      ILE   6  39.962   6.738   0.476
   44   HG23  ILE   6          HG23      ILE   6  39.590   7.407  -1.128
   45   HD11  ILE   6           HD1      ILE   6  41.241  10.357   3.288
   46   HD12  ILE   6           HD2      ILE   6  40.143  10.959   2.027
   47   HD13  ILE   6           HD3      ILE   6  41.869  10.730   1.668
   48    H    ARG   7           HN       ARG   7  42.354   7.970  -2.892
   49    HA   ARG   7           HA       ARG   7  42.044   5.091  -2.367
   50    HB2  ARG   7           HB2      ARG   7  41.983   6.336  -4.663
   51    HB3  ARG   7           HB1      ARG   7  43.750   6.274  -4.596
   52    HG2  ARG   7           HG2      ARG   7  42.828   3.603  -3.966
   53    HG3  ARG   7           HG1      ARG   7  41.880   4.146  -5.364
   54    HD2  ARG   7           HD2      ARG   7  44.107   4.834  -6.436
   55    HD3  ARG   7           HD1      ARG   7  44.909   3.959  -5.113
   56    HE   ARG   7           HE       ARG   7  43.503   2.751  -7.378
   57   HH11  ARG   7          HH11      ARG   7  45.785   1.301  -6.602
   58   HH12  ARG   7          HH12      ARG   7  45.216   0.068  -5.526
   59   HH21  ARG   7          HH21      ARG   7  42.188   1.641  -4.903
   60   HH22  ARG   7          HH22      ARG   7  43.180   0.261  -4.566
   61    H    GLN   8           HN       GLN   8  43.994   6.845  -0.765
   62    HA   GLN   8           HA       GLN   8  45.920   6.482   0.360
   63    HB2  GLN   8           HB2      GLN   8  46.462   3.980  -1.315
   64    HB3  GLN   8           HB1      GLN   8  47.201   4.436   0.228
   65    HG2  GLN   8           HG2      GLN   8  45.045   4.202   1.380
   66    HG3  GLN   8           HG1      GLN   8  44.242   3.806  -0.155
   67   HE21  GLN   8          HE21      GLN   8  45.964   2.487   2.543
   68   HE22  GLN   8          HE22      GLN   8  46.186   0.863   1.880
   69    H    TYR   9           HN       TYR   9  45.152   7.505  -2.306
   70    HA   TYR   9           HA       TYR   9  47.866   7.894  -3.520
   71    HB2  TYR   9           HB2      TYR   9  46.021   7.377  -5.089
   72    HB3  TYR   9           HB1      TYR   9  45.077   8.733  -4.426
   73    HD1  TYR   9           HD1      TYR   9  45.635  11.045  -4.957
   74    HD2  TYR   9           HD2      TYR   9  48.079   7.796  -6.409
   75    HE1  TYR   9           HE1      TYR   9  46.789  12.609  -6.517
   76    HE2  TYR   9           HE2      TYR   9  49.232   9.360  -7.967
   77    HH   TYR   9           HH       TYR   9  48.343  12.822  -8.106
   78    H    LEU  10           HN       LEU  10  45.363   9.166  -1.489
   79    HA   LEU  10           HA       LEU  10  46.369  11.971  -1.656
   80    HB2  LEU  10           HB2      LEU  10  43.939  10.937  -0.925
   81    HB3  LEU  10           HB1      LEU  10  44.685  11.048   0.681
   82    HG   LEU  10           HG       LEU  10  44.388  13.331  -1.332
   83   HD11  LEU  10          HD11      LEU  10  42.734  14.214   0.179
   84   HD12  LEU  10          HD12      LEU  10  43.121  12.999   1.420
   85   HD13  LEU  10          HD13      LEU  10  42.312  12.508  -0.084
   86   HD21  LEU  10          HD21      LEU  10  45.144  14.703   0.713
   87   HD22  LEU  10          HD22      LEU  10  46.403  13.747  -0.098
   88   HD23  LEU  10          HD23      LEU  10  45.679  13.161   1.422
   89    H    LYS  11           HN       LYS  11  47.261   9.040  -0.483
   90    HA   LYS  11           HA       LYS  11  49.182  10.211   1.524
   91    HB2  LYS  11           HB2      LYS  11  47.626   7.608   1.754
   92    HB3  LYS  11           HB1      LYS  11  48.924   8.154   2.845
   93    HG2  LYS  11           HG2      LYS  11  47.590  10.093   3.527
   94    HG3  LYS  11           HG1      LYS  11  46.326   9.679   2.344
   95    HD2  LYS  11           HD2      LYS  11  45.921   7.537   3.517
   96    HD3  LYS  11           HD1      LYS  11  47.187   7.944   4.700
   97    HE2  LYS  11           HE2      LYS  11  45.030   8.521   5.665
   98    HE3  LYS  11           HE1      LYS  11  45.885  10.030   5.272
   99    HZ1  LYS  11           HZ1      LYS  11  44.529   9.388   2.984
  100    HZ2  LYS  11           HZ2      LYS  11  44.078  10.568   4.120
  101    HZ3  LYS  11           HZ3      LYS  11  43.431   8.999   4.217
  102    H    ASN  12           HN       ASN  12  48.635   8.613  -1.377
  103    HA   ASN  12           HA       ASN  12  50.093   7.237  -2.592
  104    HB2  ASN  12           HB2      ASN  12  51.964   8.892  -0.933
  105    HB3  ASN  12           HB1      ASN  12  52.601   7.664  -2.053
  106   HD21  ASN  12          HD21      ASN  12  49.960  10.183  -2.179
  107   HD22  ASN  12          HD22      ASN  12  50.468  10.818  -3.748
  108    H    GLU  13           HN       GLU  13  49.246   6.562   0.413
  109    HA   GLU  13           HA       GLU  13  49.394   4.611   1.689
  110    HB2  GLU  13           HB2      GLU  13  49.898   3.522  -0.671
  111    HB3  GLU  13           HB1      GLU  13  51.579   3.481  -0.096
  112    HG2  GLU  13           HG2      GLU  13  50.621   1.371   0.518
  113    HG3  GLU  13           HG1      GLU  13  50.709   2.330   2.014
  114    H    ILE  14           HN       ILE  14  51.640   6.830   0.949
  115    HA   ILE  14           HA       ILE  14  53.413   6.353   3.280
  116    HB   ILE  14           HB       ILE  14  55.362   6.945   1.948
  117   HG12  ILE  14          HG12      ILE  14  53.703   6.223  -0.476
  118   HG13  ILE  14          HG11      ILE  14  53.824   7.896   0.044
  119   HG21  ILE  14          HG21      ILE  14  55.651   4.722   0.980
  120   HG22  ILE  14          HG22      ILE  14  53.896   4.446   1.058
  121   HG23  ILE  14          HG23      ILE  14  54.839   4.616   2.557
  122   HD11  ILE  14           HD1      ILE  14  56.400   7.540  -0.023
  123   HD12  ILE  14           HD2      ILE  14  55.551   7.616  -1.583
  124   HD13  ILE  14           HD3      ILE  14  56.032   6.045  -0.914
  125    H    LYS  15           HN       LYS  15  51.376   8.633   1.678
  126    HA   LYS  15           HA       LYS  15  51.375  10.902   2.168
  127    HB2  LYS  15           HB2      LYS  15  52.573   9.897   4.757
  128    HB3  LYS  15           HB1      LYS  15  52.136  11.587   4.480
  129    HG2  LYS  15           HG2      LYS  15  49.804  10.816   3.932
  130    HG3  LYS  15           HG1      LYS  15  50.290   9.187   4.462
  131    HD2  LYS  15           HD2      LYS  15  50.833  10.025   6.694
  132    HD3  LYS  15           HD1      LYS  15  50.496  11.696   6.183
  133    HE2  LYS  15           HE2      LYS  15  48.142  11.104   5.740
  134    HE3  LYS  15           HE1      LYS  15  48.466   9.419   6.209
  135    HZ1  LYS  15           HZ1      LYS  15  47.500  10.734   8.022
  136    HZ2  LYS  15           HZ2      LYS  15  48.832  11.789   7.977
  137    HZ3  LYS  15           HZ3      LYS  15  49.047  10.162   8.416
  138    H    LYS  16           HN       LYS  16  53.191   9.402   0.700
  139    HA   LYS  16           HA       LYS  16  55.266   9.587  -0.308
  140    HB2  LYS  16           HB2      LYS  16  55.356  12.427   0.733
  141    HB3  LYS  16           HB1      LYS  16  55.960  11.748  -0.800
  142    HG2  LYS  16           HG2      LYS  16  53.522  11.237  -1.403
  143    HG3  LYS  16           HG1      LYS  16  53.070  12.259  -0.022
  144    HD2  LYS  16           HD2      LYS  16  54.120  14.198  -1.004
  145    HD3  LYS  16           HD1      LYS  16  54.868  13.213  -2.288
  146    HE2  LYS  16           HE2      LYS  16  52.878  14.374  -3.156
  147    HE3  LYS  16           HE1      LYS  16  52.600  12.616  -3.125
  148    HZ1  LYS  16           HZ1      LYS  16  51.437  12.881  -1.021
  149    HZ2  LYS  16           HZ2      LYS  16  50.713  13.834  -2.227
  150    HZ3  LYS  16           HZ3      LYS  16  51.702  14.556  -1.050
  151    H    LYS  17           HN       LYS  17  54.757   8.544   2.319
  152    HA   LYS  17           HA       LYS  17  56.002   7.769   4.048
  153    HB2  LYS  17           HB2      LYS  17  58.022   8.296   2.407
  154    HB3  LYS  17           HB1      LYS  17  58.305   9.636   3.518
  155    HG2  LYS  17           HG2      LYS  17  59.618   7.957   4.507
  156    HG3  LYS  17           HG1      LYS  17  58.093   7.777   5.403
  157    HD2  LYS  17           HD2      LYS  17  57.416   5.916   3.951
  158    HD3  LYS  17           HD1      LYS  17  58.848   6.157   2.924
  159    HE2  LYS  17           HE2      LYS  17  59.311   4.323   4.446
  160    HE3  LYS  17           HE1      LYS  17  60.287   5.722   4.952
  161    HZ1  LYS  17           HZ1      LYS  17  58.818   4.363   6.649
  162    HZ2  LYS  17           HZ2      LYS  17  57.610   5.429   6.109
  163    HZ3  LYS  17           HZ3      LYS  17  59.035   6.038   6.805
  164    H    GLY  18           HN       GLY  18  54.174  10.418   3.890
  165    HA2  GLY  18           HA1      GLY  18  53.640  11.318   6.270
  166    HA3  GLY  18           HA2      GLY  18  55.380  11.642   6.425
  167    H    ARG  19           HN       ARG  19  53.510  12.174   3.520
  168    HA   ARG  19           HA       ARG  19  53.581  14.078   2.195
  169    HB2  ARG  19           HB2      ARG  19  53.080  15.170   4.989
  170    HB3  ARG  19           HB1      ARG  19  53.528  16.314   3.702
  171    HG2  ARG  19           HG2      ARG  19  51.626  15.588   2.338
  172    HG3  ARG  19           HG1      ARG  19  51.217  14.321   3.520
  173    HD2  ARG  19           HD2      ARG  19  49.786  16.357   3.773
  174    HD3  ARG  19           HD1      ARG  19  50.750  16.020   5.230
  175    HE   ARG  19           HE       ARG  19  52.322  17.775   3.734
  176   HH11  ARG  19          HH11      ARG  19  50.979  18.357   6.422
  177   HH12  ARG  19          HH12      ARG  19  50.074  19.783   6.035
  178   HH21  ARG  19          HH21      ARG  19  50.350  19.346   2.607
  179   HH22  ARG  19          HH22      ARG  19  49.717  20.342   3.874
  180    H    LYS  20           HN       LYS  20  55.806  12.533   3.622
  181    HA   LYS  20           HA       LYS  20  57.687  14.612   4.431
  182    HB2  LYS  20           HB2      LYS  20  58.419  11.892   3.567
  183    HB3  LYS  20           HB1      LYS  20  59.543  13.266   3.871
  184    HG2  LYS  20           HG2      LYS  20  58.444  13.453   6.215
  185    HG3  LYS  20           HG1      LYS  20  57.762  11.855   5.925
  186    HD2  LYS  20           HD2      LYS  20  60.731  12.495   5.745
  187    HD3  LYS  20           HD1      LYS  20  59.945  11.840   7.197
  188    HE2  LYS  20           HE2      LYS  20  59.126   9.924   5.716
  189    HE3  LYS  20           HE1      LYS  20  60.245  10.533   4.472
  190    HZ1  LYS  20           HZ1      LYS  20  61.275  10.142   7.189
  191    HZ2  LYS  20           HZ2      LYS  20  62.054   9.951   5.691
  192    HZ3  LYS  20           HZ3      LYS  20  60.983   8.758   6.252
  193    H    ALA  21           HN       ALA  21  56.907  13.001   1.482
  194    HA   ALA  21           HA       ALA  21  59.275  13.823   0.079
  195    HB1  ALA  21           HB1      ALA  21  57.679  12.895  -1.339
  196    HB2  ALA  21           HB2      ALA  21  57.644  14.603  -1.814
  197    HB3  ALA  21           HB3      ALA  21  56.426  13.971  -0.693
  198    H    VAL  22           HN       VAL  22  58.361  15.233   2.202
  199    HA   VAL  22           HA       VAL  22  59.552  17.668   1.873
  200    HB   VAL  22           HB       VAL  22  57.792  18.479   0.325
  201   HG11  VAL  22          HG11      VAL  22  55.486  18.780   1.144
  202   HG12  VAL  22          HG12      VAL  22  55.938  18.065   2.710
  203   HG13  VAL  22          HG13      VAL  22  55.960  17.067   1.235
  204   HG21  VAL  22          HG21      VAL  22  58.931  20.037   2.013
  205   HG22  VAL  22          HG22      VAL  22  57.456  19.899   2.998
  206   HG23  VAL  22          HG23      VAL  22  57.373  20.601   1.365
  207    H    ILE  23           HN       ILE  23  56.985  16.054   3.987
  208    HA   ILE  23           HA       ILE  23  57.781  18.020   6.007
  209    HB   ILE  23           HB       ILE  23  56.813  15.144   6.432
  210   HG12  ILE  23          HG12      ILE  23  55.257  16.872   5.228
  211   HG13  ILE  23          HG11      ILE  23  54.605  15.977   6.612
  212   HG21  ILE  23          HG21      ILE  23  56.171  16.202   8.732
  213   HG22  ILE  23          HG22      ILE  23  57.389  17.433   8.324
  214   HG23  ILE  23          HG23      ILE  23  57.855  15.723   8.454
  215   HD11  ILE  23           HD1      ILE  23  55.884  18.700   7.038
  216   HD12  ILE  23           HD2      ILE  23  54.683  17.860   8.036
  217   HD13  ILE  23           HD3      ILE  23  54.206  18.567   6.480
  218    H    ALA  24           HN       ALA  24  59.614  16.003   4.027
  219    HA   ALA  24           HA       ALA  24  62.049  16.426   5.062
  220    HB1  ALA  24           HB1      ALA  24  62.508  14.315   6.631
  221    HB2  ALA  24           HB2      ALA  24  60.773  14.478   6.978
  222    HB3  ALA  24           HB3      ALA  24  61.879  15.830   7.310
  223    H    TRP  25           HN       TRP  25  60.972  15.648   2.709
  224    HA   TRP  25           HA       TRP  25  61.420  14.288   0.886
  225    HB2  TRP  25           HB2      TRP  25  63.774  14.830   1.616
  226    HB3  TRP  25           HB1      TRP  25  63.789  13.294   2.513
  227    HD1  TRP  25           HD1      TRP  25  63.934  11.066   1.142
  228    HE1  TRP  25           HE1      TRP  25  64.464  10.502  -1.340
  229    HE3  TRP  25           HE3      TRP  25  63.467  15.751  -0.866
  230    HZ2  TRP  25           HZ2      TRP  25  64.650  11.919  -3.839
  231    HZ3  TRP  25           HZ3      TRP  25  63.825  16.123  -3.301
  232    HH2  TRP  25           HH2      TRP  25  64.415  14.214  -4.789
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  45.837   2.880  -8.295
    2    H2   ALA   1           HT2      ALA   1  44.340   2.075  -8.306
    3    H3   ALA   1           HT3      ALA   1  44.844   2.925  -6.924
    4    HA   ALA   1           HA       ALA   1  44.737   4.455  -9.359
    5    HB1  ALA   1           HB1      ALA   1  42.287   3.257  -8.040
    6    HB2  ALA   1           HB2      ALA   1  42.748   3.209  -9.758
    7    HB3  ALA   1           HB3      ALA   1  42.219   4.741  -9.019
    8    H    GLY   2           HN       GLY   2  42.975   6.334  -8.549
    9    HA2  GLY   2           HA1      GLY   2  43.136   7.107  -5.792
   10    HA3  GLY   2           HA2      GLY   2  44.454   7.881  -6.708
   11    H    LYS   3           HN       LYS   3  41.204   6.954  -7.676
   12    HA   LYS   3           HA       LYS   3  40.703   9.822  -8.225
   13    HB2  LYS   3           HB2      LYS   3  39.181   7.307  -9.024
   14    HB3  LYS   3           HB1      LYS   3  38.523   8.943  -9.266
   15    HG2  LYS   3           HG2      LYS   3  40.545   9.523 -10.619
   16    HG3  LYS   3           HG1      LYS   3  41.118   7.846 -10.436
   17    HD2  LYS   3           HD2      LYS   3  39.083   7.011 -11.551
   18    HD3  LYS   3           HD1      LYS   3  38.468   8.674 -11.702
   19    HE2  LYS   3           HE2      LYS   3  41.134   7.773 -12.868
   20    HE3  LYS   3           HE1      LYS   3  39.609   7.746 -13.787
   21    HZ1  LYS   3           HZ1      LYS   3  40.498   9.809 -14.282
   22    HZ2  LYS   3           HZ2      LYS   3  41.093  10.066 -12.713
   23    HZ3  LYS   3           HZ3      LYS   3  39.426  10.181 -13.022
   24    H    GLU   4           HN       GLU   4  40.243   7.311  -6.133
   25    HA   GLU   4           HA       GLU   4  38.044   8.598  -4.656
   26    HB2  GLU   4           HB2      GLU   4  40.158   6.774  -3.407
   27    HB3  GLU   4           HB1      GLU   4  38.411   6.898  -3.046
   28    HG2  GLU   4           HG2      GLU   4  39.641   5.678  -5.558
   29    HG3  GLU   4           HG1      GLU   4  38.858   4.792  -4.227
   30    H    THR   5           HN       THR   5  41.260   9.061  -5.673
   31    HA   THR   5           HA       THR   5  43.123   9.865  -4.378
   32    HB   THR   5           HB       THR   5  42.611  11.691  -5.900
   33    HG1  THR   5           HG1      THR   5  43.052  13.520  -4.559
   34   HG21  THR   5          HG21      THR   5  40.232  11.858  -5.699
   35   HG22  THR   5          HG22      THR   5  40.875  13.439  -5.195
   36   HG23  THR   5          HG23      THR   5  40.333  12.267  -3.970
   37    H    ILE   6           HN       ILE   6  42.534   8.654  -2.814
   38    HA   ILE   6           HA       ILE   6  43.125   9.465  -0.275
   39    HB   ILE   6           HB       ILE   6  40.552  10.436  -0.560
   40   HG12  ILE   6          HG12      ILE   6  40.281   9.790   1.999
   41   HG13  ILE   6          HG11      ILE   6  41.924   9.135   1.817
   42   HG21  ILE   6          HG21      ILE   6  39.783   8.043  -1.160
   43   HG22  ILE   6          HG22      ILE   6  38.855   8.905   0.088
   44   HG23  ILE   6          HG23      ILE   6  40.036   7.660   0.558
   45   HD11  ILE   6           HD1      ILE   6  41.908  11.499   2.633
   46   HD12  ILE   6           HD2      ILE   6  41.095  11.993   1.130
   47   HD13  ILE   6           HD3      ILE   6  42.746  11.334   1.075
   48    H    ARG   7           HN       ARG   7  42.450   7.671  -2.923
   49    HA   ARG   7           HA       ARG   7  41.679   5.080  -1.775
   50    HB2  ARG   7           HB2      ARG   7  41.900   5.663  -4.299
   51    HB3  ARG   7           HB1      ARG   7  43.643   5.420  -4.093
   52    HG2  ARG   7           HG2      ARG   7  43.294   3.123  -3.356
   53    HG3  ARG   7           HG1      ARG   7  41.530   3.345  -3.355
   54    HD2  ARG   7           HD2      ARG   7  41.688   3.867  -5.833
   55    HD3  ARG   7           HD1      ARG   7  43.396   3.371  -5.758
   56    HE   ARG   7           HE       ARG   7  41.510   1.383  -4.685
   57   HH11  ARG   7          HH11      ARG   7  44.242   1.518  -6.415
   58   HH12  ARG   7          HH12      ARG   7  43.734   0.517  -7.735
   59   HH21  ARG   7          HH21      ARG   7  40.389   0.556  -6.822
   60   HH22  ARG   7          HH22      ARG   7  41.552  -0.026  -7.966
   61    H    GLN   8           HN       GLN   8  44.249   7.087  -1.505
   62    HA   GLN   8           HA       GLN   8  45.817   6.717   0.344
   63    HB2  GLN   8           HB2      GLN   8  47.255   4.779   0.403
   64    HB3  GLN   8           HB1      GLN   8  45.601   4.160   0.321
   65    HG2  GLN   8           HG2      GLN   8  46.109   4.239  -2.348
   66    HG3  GLN   8           HG1      GLN   8  47.785   4.132  -1.779
   67   HE21  GLN   8          HE21      GLN   8  45.379   2.192  -2.911
   68   HE22  GLN   8          HE22      GLN   8  45.724   0.722  -1.995
   69    H    TYR   9           HN       TYR   9  45.188   7.451  -2.515
   70    HA   TYR   9           HA       TYR   9  47.932   7.790  -3.629
   71    HB2  TYR   9           HB2      TYR   9  46.094   7.261  -5.164
   72    HB3  TYR   9           HB1      TYR   9  45.192   8.693  -4.609
   73    HD1  TYR   9           HD1      TYR   9  45.970  10.972  -5.167
   74    HD2  TYR   9           HD2      TYR   9  48.050   7.475  -6.608
   75    HE1  TYR   9           HE1      TYR   9  47.195  12.381  -6.816
   76    HE2  TYR   9           HE2      TYR   9  49.276   8.885  -8.257
   77    HH   TYR   9           HH       TYR   9  49.148  12.392  -8.076
   78    H    LEU  10           HN       LEU  10  45.544   9.349  -1.639
   79    HA   LEU  10           HA       LEU  10  46.729  12.067  -2.072
   80    HB2  LEU  10           HB2      LEU  10  44.238  11.284  -1.253
   81    HB3  LEU  10           HB1      LEU  10  44.997  11.492   0.338
   82    HG   LEU  10           HG       LEU  10  44.841  13.586  -1.888
   83   HD11  LEU  10          HD11      LEU  10  43.276  14.731  -0.455
   84   HD12  LEU  10          HD12      LEU  10  43.583  13.604   0.888
   85   HD13  LEU  10          HD13      LEU  10  42.726  13.045  -0.565
   86   HD21  LEU  10          HD21      LEU  10  45.719  15.102  -0.009
   87   HD22  LEU  10          HD22      LEU  10  46.899  13.969  -0.699
   88   HD23  LEU  10          HD23      LEU  10  46.134  13.614   0.872
   89    H    LYS  11           HN       LYS  11  47.470   9.221  -0.691
   90    HA   LYS  11           HA       LYS  11  49.426  10.390   1.287
   91    HB2  LYS  11           HB2      LYS  11  47.814   7.831   1.490
   92    HB3  LYS  11           HB1      LYS  11  49.061   8.382   2.633
   93    HG2  LYS  11           HG2      LYS  11  47.619  10.514   2.924
   94    HG3  LYS  11           HG1      LYS  11  46.336   9.624   2.071
   95    HD2  LYS  11           HD2      LYS  11  47.739   8.681   4.613
   96    HD3  LYS  11           HD1      LYS  11  46.120   9.414   4.545
   97    HE2  LYS  11           HE2      LYS  11  45.542   7.524   2.855
   98    HE3  LYS  11           HE1      LYS  11  47.030   6.738   3.436
   99    HZ1  LYS  11           HZ1      LYS  11  45.323   7.733   5.540
  100    HZ2  LYS  11           HZ2      LYS  11  46.082   6.222   5.374
  101    HZ3  LYS  11           HZ3      LYS  11  44.601   6.522   4.597
  102    H    ASN  12           HN       ASN  12  48.931   8.842  -1.603
  103    HA   ASN  12           HA       ASN  12  50.335   7.401  -2.781
  104    HB2  ASN  12           HB2      ASN  12  52.358   8.729  -0.999
  105    HB3  ASN  12           HB1      ASN  12  52.760   7.758  -2.441
  106   HD21  ASN  12          HD21      ASN  12  51.631   8.516  -4.551
  107   HD22  ASN  12          HD22      ASN  12  51.439  10.261  -4.752
  108    H    GLU  13           HN       GLU  13  49.347   6.726   0.175
  109    HA   GLU  13           HA       GLU  13  49.366   4.747   1.431
  110    HB2  GLU  13           HB2      GLU  13  49.965   3.713  -0.947
  111    HB3  GLU  13           HB1      GLU  13  51.589   3.548  -0.248
  112    HG2  GLU  13           HG2      GLU  13  50.650   2.278   1.660
  113    HG3  GLU  13           HG1      GLU  13  49.018   2.442   0.968
  114    H    ILE  14           HN       ILE  14  51.686   6.897   0.857
  115    HA   ILE  14           HA       ILE  14  53.410   6.276   3.206
  116    HB   ILE  14           HB       ILE  14  55.031   7.526   1.278
  117   HG12  ILE  14          HG12      ILE  14  53.601   5.117   0.148
  118   HG13  ILE  14          HG11      ILE  14  53.516   6.790  -0.446
  119   HG21  ILE  14          HG21      ILE  14  56.495   5.672   1.555
  120   HG22  ILE  14          HG22      ILE  14  55.152   4.574   1.949
  121   HG23  ILE  14          HG23      ILE  14  55.658   5.816   3.112
  122   HD11  ILE  14           HD1      ILE  14  55.112   5.798  -1.880
  123   HD12  ILE  14           HD2      ILE  14  55.847   4.861  -0.559
  124   HD13  ILE  14           HD3      ILE  14  56.116   6.618  -0.662
  125    H    LYS  15           HN       LYS  15  51.554   8.728   1.498
  126    HA   LYS  15           HA       LYS  15  51.588  10.965   2.116
  127    HB2  LYS  15           HB2      LYS  15  52.625   9.935   4.776
  128    HB3  LYS  15           HB1      LYS  15  51.979  11.551   4.480
  129    HG2  LYS  15           HG2      LYS  15  49.835  10.402   3.721
  130    HG3  LYS  15           HG1      LYS  15  50.524   8.899   4.366
  131    HD2  LYS  15           HD2      LYS  15  50.265  11.429   6.047
  132    HD3  LYS  15           HD1      LYS  15  48.977  10.210   5.946
  133    HE2  LYS  15           HE2      LYS  15  50.706   8.470   6.654
  134    HE3  LYS  15           HE1      LYS  15  51.813   9.821   6.986
  135    HZ1  LYS  15           HZ1      LYS  15  50.773   9.455   9.006
  136    HZ2  LYS  15           HZ2      LYS  15  49.257   9.148   8.306
  137    HZ3  LYS  15           HZ3      LYS  15  49.866  10.733   8.359
  138    H    LYS  16           HN       LYS  16  53.371   9.318   0.719
  139    HA   LYS  16           HA       LYS  16  55.549   9.280  -0.106
  140    HB2  LYS  16           HB2      LYS  16  55.163  12.180   0.706
  141    HB3  LYS  16           HB1      LYS  16  56.660  11.596  -0.067
  142    HG2  LYS  16           HG2      LYS  16  53.951  10.929  -1.304
  143    HG3  LYS  16           HG1      LYS  16  54.662  12.517  -1.605
  144    HD2  LYS  16           HD2      LYS  16  56.819  11.164  -2.308
  145    HD3  LYS  16           HD1      LYS  16  55.711   9.780  -2.404
  146    HE2  LYS  16           HE2      LYS  16  55.704  12.338  -4.031
  147    HE3  LYS  16           HE1      LYS  16  55.669  10.651  -4.599
  148    HZ1  LYS  16           HZ1      LYS  16  53.444  10.853  -3.054
  149    HZ2  LYS  16           HZ2      LYS  16  53.481  10.955  -4.750
  150    HZ3  LYS  16           HZ3      LYS  16  53.500  12.370  -3.808
  151    H    LYS  17           HN       LYS  17  54.788   8.566   2.604
  152    HA   LYS  17           HA       LYS  17  55.957   7.727   4.399
  153    HB2  LYS  17           HB2      LYS  17  58.113   8.127   2.933
  154    HB3  LYS  17           HB1      LYS  17  58.320   9.565   3.951
  155    HG2  LYS  17           HG2      LYS  17  58.326   8.184   5.979
  156    HG3  LYS  17           HG1      LYS  17  57.980   6.725   5.021
  157    HD2  LYS  17           HD2      LYS  17  60.116   6.961   3.833
  158    HD3  LYS  17           HD1      LYS  17  60.464   8.468   4.714
  159    HE2  LYS  17           HE2      LYS  17  60.395   7.210   6.862
  160    HE3  LYS  17           HE1      LYS  17  60.104   5.705   5.956
  161    HZ1  LYS  17           HZ1      LYS  17  62.552   7.189   6.333
  162    HZ2  LYS  17           HZ2      LYS  17  62.270   6.749   4.716
  163    HZ3  LYS  17           HZ3      LYS  17  62.321   5.558   5.927
  164    H    GLY  18           HN       GLY  18  54.208  10.360   4.064
  165    HA2  GLY  18           HA1      GLY  18  53.541  11.321   6.384
  166    HA3  GLY  18           HA2      GLY  18  55.262  11.684   6.608
  167    H    ARG  19           HN       ARG  19  53.454  12.083   3.600
  168    HA   ARG  19           HA       ARG  19  53.474  13.962   2.261
  169    HB2  ARG  19           HB2      ARG  19  53.028  15.145   5.032
  170    HB3  ARG  19           HB1      ARG  19  53.401  16.234   3.679
  171    HG2  ARG  19           HG2      ARG  19  51.481  15.207   2.401
  172    HG3  ARG  19           HG1      ARG  19  51.074  14.262   3.853
  173    HD2  ARG  19           HD2      ARG  19  51.015  17.279   3.495
  174    HD3  ARG  19           HD1      ARG  19  49.678  16.197   3.951
  175    HE   ARG  19           HE       ARG  19  51.571  15.865   5.973
  176   HH11  ARG  19          HH11      ARG  19  52.329  18.703   5.459
  177   HH12  ARG  19          HH12      ARG  19  51.227  19.571   6.475
  178   HH21  ARG  19          HH21      ARG  19  49.074  16.884   6.886
  179   HH22  ARG  19          HH22      ARG  19  49.384  18.541   7.283
  180    H    LYS  20           HN       LYS  20  55.768  12.511   3.751
  181    HA   LYS  20           HA       LYS  20  57.672  14.542   4.440
  182    HB2  LYS  20           HB2      LYS  20  58.322  11.908   3.295
  183    HB3  LYS  20           HB1      LYS  20  59.470  13.255   3.585
  184    HG2  LYS  20           HG2      LYS  20  58.731  13.269   6.018
  185    HG3  LYS  20           HG1      LYS  20  57.826  11.784   5.704
  186    HD2  LYS  20           HD2      LYS  20  60.058  10.797   4.847
  187    HD3  LYS  20           HD1      LYS  20  60.827  12.219   5.575
  188    HE2  LYS  20           HE2      LYS  20  59.886  11.643   7.774
  189    HE3  LYS  20           HE1      LYS  20  59.040  10.246   7.064
  190    HZ1  LYS  20           HZ1      LYS  20  61.991  10.647   7.097
  191    HZ2  LYS  20           HZ2      LYS  20  61.173   9.306   6.450
  192    HZ3  LYS  20           HZ3      LYS  20  61.130   9.606   8.121
  193    H    ALA  21           HN       ALA  21  56.502  13.172   1.576
  194    HA   ALA  21           HA       ALA  21  58.592  14.067  -0.184
  195    HB1  ALA  21           HB1      ALA  21  56.773  13.345  -1.434
  196    HB2  ALA  21           HB2      ALA  21  56.537  15.088  -1.590
  197    HB3  ALA  21           HB3      ALA  21  55.646  14.184  -0.355
  198    H    VAL  22           HN       VAL  22  58.119  15.317   2.173
  199    HA   VAL  22           HA       VAL  22  59.342  17.725   1.931
  200    HB   VAL  22           HB       VAL  22  57.592  18.795   0.590
  201   HG11  VAL  22          HG11      VAL  22  55.735  17.323   1.302
  202   HG12  VAL  22          HG12      VAL  22  55.293  19.037   1.476
  203   HG13  VAL  22          HG13      VAL  22  55.745  18.085   2.910
  204   HG21  VAL  22          HG21      VAL  22  57.219  20.783   1.871
  205   HG22  VAL  22          HG22      VAL  22  58.758  20.114   2.464
  206   HG23  VAL  22          HG23      VAL  22  57.267  19.893   3.411
  207    H    ILE  23           HN       ILE  23  56.873  16.034   4.065
  208    HA   ILE  23           HA       ILE  23  57.772  17.805   6.202
  209    HB   ILE  23           HB       ILE  23  56.902  14.881   6.479
  210   HG12  ILE  23          HG12      ILE  23  55.140  16.165   5.363
  211   HG13  ILE  23          HG11      ILE  23  54.661  15.852   7.042
  212   HG21  ILE  23          HG21      ILE  23  57.517  17.103   8.431
  213   HG22  ILE  23          HG22      ILE  23  57.849  15.364   8.544
  214   HG23  ILE  23          HG23      ILE  23  56.202  15.970   8.822
  215   HD11  ILE  23           HD1      ILE  23  54.120  18.130   6.743
  216   HD12  ILE  23           HD2      ILE  23  55.569  18.451   5.765
  217   HD13  ILE  23           HD3      ILE  23  55.713  18.218   7.520
  218    H    ALA  24           HN       ALA  24  59.539  15.965   3.999
  219    HA   ALA  24           HA       ALA  24  62.019  16.303   4.908
  220    HB1  ALA  24           HB1      ALA  24  61.927  15.619   7.152
  221    HB2  ALA  24           HB2      ALA  24  62.595  14.177   6.367
  222    HB3  ALA  24           HB3      ALA  24  60.868  14.236   6.791
  223    H    TRP  25           HN       TRP  25  60.743  15.609   2.628
  224    HA   TRP  25           HA       TRP  25  60.765  14.126   0.819
  225    HB2  TRP  25           HB2      TRP  25  63.160  13.371   0.279
  226    HB3  TRP  25           HB1      TRP  25  62.895  15.119   0.469
  227    HD1  TRP  25           HD1      TRP  25  64.689  12.166   2.012
  228    HE1  TRP  25           HE1      TRP  25  66.221  12.965   3.956
  229    HE3  TRP  25           HE3      TRP  25  63.077  17.013   2.372
  230    HZ2  TRP  25           HZ2      TRP  25  66.663  15.391   5.441
  231    HZ3  TRP  25           HZ3      TRP  25  64.070  18.552   4.059
  232    HH2  TRP  25           HH2      TRP  25  65.860  17.747   5.592
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  46.212   2.803  -7.587
    2    H2   ALA   1           HT2      ALA   1  44.607   2.568  -7.079
    3    H3   ALA   1           HT3      ALA   1  45.646   3.577  -6.189
    4    HA   ALA   1           HA       ALA   1  45.677   4.537  -8.760
    5    HB1  ALA   1           HB1      ALA   1  42.917   3.779  -7.759
    6    HB2  ALA   1           HB2      ALA   1  43.673   3.360  -9.313
    7    HB3  ALA   1           HB3      ALA   1  43.192   5.042  -8.981
    8    H    GLY   2           HN       GLY   2  43.993   6.643  -8.609
    9    HA2  GLY   2           HA1      GLY   2  43.905   7.827  -5.947
   10    HA3  GLY   2           HA2      GLY   2  45.236   8.473  -6.942
   11    H    LYS   3           HN       LYS   3  42.019   7.311  -7.812
   12    HA   LYS   3           HA       LYS   3  41.454  10.046  -8.814
   13    HB2  LYS   3           HB2      LYS   3  40.177   7.344  -9.370
   14    HB3  LYS   3           HB1      LYS   3  39.313   8.854  -9.743
   15    HG2  LYS   3           HG2      LYS   3  40.507   8.054 -11.737
   16    HG3  LYS   3           HG1      LYS   3  41.230   9.577 -11.166
   17    HD2  LYS   3           HD2      LYS   3  43.102   8.449 -10.194
   18    HD3  LYS   3           HD1      LYS   3  42.312   6.859 -10.321
   19    HE2  LYS   3           HE2      LYS   3  44.039   7.166 -12.083
   20    HE3  LYS   3           HE1      LYS   3  42.412   6.991 -12.784
   21    HZ1  LYS   3           HZ1      LYS   3  42.776   9.694 -12.266
   22    HZ2  LYS   3           HZ2      LYS   3  42.730   8.928 -13.782
   23    HZ3  LYS   3           HZ3      LYS   3  44.216   9.165 -12.991
   24    H    GLU   4           HN       GLU   4  40.983   7.801  -6.438
   25    HA   GLU   4           HA       GLU   4  38.677   9.170  -5.222
   26    HB2  GLU   4           HB2      GLU   4  40.063   6.725  -4.755
   27    HB3  GLU   4           HB1      GLU   4  40.603   7.763  -3.404
   28    HG2  GLU   4           HG2      GLU   4  38.592   6.546  -2.723
   29    HG3  GLU   4           HG1      GLU   4  38.169   8.264  -2.923
   30    H    THR   5           HN       THR   5  41.911   9.653  -6.161
   31    HA   THR   5           HA       THR   5  43.676  10.688  -4.906
   32    HB   THR   5           HB       THR   5  41.807  13.077  -5.365
   33    HG1  THR   5           HG1      THR   5  41.718  12.124  -7.278
   34   HG21  THR   5          HG21      THR   5  43.858  13.750  -4.333
   35   HG22  THR   5          HG22      THR   5  44.024  14.133  -6.064
   36   HG23  THR   5          HG23      THR   5  44.821  12.691  -5.391
   37    H    ILE   6           HN       ILE   6  43.354   9.701  -3.154
   38    HA   ILE   6           HA       ILE   6  43.867  10.674  -0.766
   39    HB   ILE   6           HB       ILE   6  40.924  11.213  -1.305
   40   HG12  ILE   6          HG12      ILE   6  42.852  12.948  -0.826
   41   HG13  ILE   6          HG11      ILE   6  41.275  13.181  -0.048
   42   HG21  ILE   6          HG21      ILE   6  40.620   9.435   0.281
   43   HG22  ILE   6          HG22      ILE   6  40.394  10.965   1.155
   44   HG23  ILE   6          HG23      ILE   6  41.913  10.059   1.333
   45   HD11  ILE   6           HD1      ILE   6  43.326  13.468   1.454
   46   HD12  ILE   6           HD2      ILE   6  43.584  11.716   1.304
   47   HD13  ILE   6           HD3      ILE   6  42.094  12.335   2.053
   48    H    ARG   7           HN       ARG   7  42.954   8.725  -3.170
   49    HA   ARG   7           HA       ARG   7  41.780   6.408  -1.854
   50    HB2  ARG   7           HB2      ARG   7  42.399   6.821  -4.422
   51    HB3  ARG   7           HB1      ARG   7  43.940   6.070  -3.977
   52    HG2  ARG   7           HG2      ARG   7  42.722   4.099  -3.079
   53    HG3  ARG   7           HG1      ARG   7  41.176   4.845  -3.552
   54    HD2  ARG   7           HD2      ARG   7  41.828   4.810  -5.907
   55    HD3  ARG   7           HD1      ARG   7  43.447   4.206  -5.482
   56    HE   ARG   7           HE       ARG   7  42.440   2.083  -5.614
   57   HH11  ARG   7          HH11      ARG   7  39.765   3.886  -5.914
   58   HH12  ARG   7          HH12      ARG   7  38.741   2.960  -4.868
   59   HH21  ARG   7          HH21      ARG   7  41.340   1.092  -3.538
   60   HH22  ARG   7          HH22      ARG   7  39.631   1.378  -3.524
   61    H    GLN   8           HN       GLN   8  44.877   7.797  -2.026
   62    HA   GLN   8           HA       GLN   8  46.176   7.341   0.161
   63    HB2  GLN   8           HB2      GLN   8  45.954   4.598  -1.128
   64    HB3  GLN   8           HB1      GLN   8  47.470   5.024  -0.317
   65    HG2  GLN   8           HG2      GLN   8  46.508   5.116   1.807
   66    HG3  GLN   8           HG1      GLN   8  44.899   5.548   1.196
   67   HE21  GLN   8          HE21      GLN   8  43.710   3.839   2.202
   68   HE22  GLN   8          HE22      GLN   8  43.982   2.140   1.800
   69    H    TYR   9           HN       TYR   9  45.846   7.964  -2.842
   70    HA   TYR   9           HA       TYR   9  48.663   7.840  -3.754
   71    HB2  TYR   9           HB2      TYR   9  46.720   7.594  -5.338
   72    HB3  TYR   9           HB1      TYR   9  46.272   9.280  -4.977
   73    HD1  TYR   9           HD1      TYR   9  48.801   7.072  -6.558
   74    HD2  TYR   9           HD2      TYR   9  47.636  11.151  -5.760
   75    HE1  TYR   9           HE1      TYR   9  50.469   7.875  -8.224
   76    HE2  TYR   9           HE2      TYR   9  49.304  11.953  -7.427
   77    HH   TYR   9           HH       TYR   9  51.831  10.387  -8.274
   78    H    LEU  10           HN       LEU  10  46.444   9.837  -1.991
   79    HA   LEU  10           HA       LEU  10  48.110  12.303  -2.370
   80    HB2  LEU  10           HB2      LEU  10  45.445  11.973  -1.893
   81    HB3  LEU  10           HB1      LEU  10  46.002  12.117  -0.216
   82    HG   LEU  10           HG       LEU  10  45.354  14.312  -1.055
   83   HD11  LEU  10          HD11      LEU  10  47.367  14.077   0.449
   84   HD12  LEU  10          HD12      LEU  10  47.342  15.563  -0.528
   85   HD13  LEU  10          HD13      LEU  10  48.398  14.212  -0.994
   86   HD21  LEU  10          HD21      LEU  10  45.960  15.232  -3.104
   87   HD22  LEU  10          HD22      LEU  10  46.074  13.519  -3.557
   88   HD23  LEU  10          HD23      LEU  10  47.542  14.427  -3.143
   89    H    LYS  11           HN       LYS  11  48.260   9.454  -0.904
   90    HA   LYS  11           HA       LYS  11  50.076  10.380   1.316
   91    HB2  LYS  11           HB2      LYS  11  48.096   8.082   1.305
   92    HB3  LYS  11           HB1      LYS  11  49.289   8.409   2.581
   93    HG2  LYS  11           HG2      LYS  11  48.231  10.629   2.985
   94    HG3  LYS  11           HG1      LYS  11  47.027  10.274   1.723
   95    HD2  LYS  11           HD2      LYS  11  46.144   8.406   2.985
   96    HD3  LYS  11           HD1      LYS  11  47.462   8.521   4.176
   97    HE2  LYS  11           HE2      LYS  11  46.669  10.763   4.854
   98    HE3  LYS  11           HE1      LYS  11  45.360  10.670   3.651
   99    HZ1  LYS  11           HZ1      LYS  11  45.593   9.390   6.240
  100    HZ2  LYS  11           HZ2      LYS  11  45.047   8.366   4.999
  101    HZ3  LYS  11           HZ3      LYS  11  44.209   9.800   5.349
  102    H    ASN  12           HN       ASN  12  49.727   8.896  -1.617
  103    HA   ASN  12           HA       ASN  12  51.013   7.258  -2.647
  104    HB2  ASN  12           HB2      ASN  12  52.677   9.005  -2.305
  105    HB3  ASN  12           HB1      ASN  12  53.083   8.298  -0.727
  106   HD21  ASN  12          HD21      ASN  12  55.332   8.017  -1.677
  107   HD22  ASN  12          HD22      ASN  12  55.627   6.621  -2.717
  108    H    GLU  13           HN       GLU  13  49.664   6.723   0.147
  109    HA   GLU  13           HA       GLU  13  49.309   4.770   1.385
  110    HB2  GLU  13           HB2      GLU  13  50.095   3.649  -0.895
  111    HB3  GLU  13           HB1      GLU  13  51.592   3.322   0.006
  112    HG2  GLU  13           HG2      GLU  13  50.273   2.194   1.785
  113    HG3  GLU  13           HG1      GLU  13  48.781   2.499   0.864
  114    H    ILE  14           HN       ILE  14  51.968   6.603   1.088
  115    HA   ILE  14           HA       ILE  14  53.302   5.810   3.637
  116    HB   ILE  14           HB       ILE  14  55.188   6.994   1.900
  117   HG12  ILE  14          HG12      ILE  14  53.738   4.646   0.666
  118   HG13  ILE  14          HG11      ILE  14  53.884   6.294   0.032
  119   HG21  ILE  14          HG21      ILE  14  55.128   4.053   2.630
  120   HG22  ILE  14          HG22      ILE  14  55.530   5.297   3.829
  121   HG23  ILE  14          HG23      ILE  14  56.543   5.103   2.389
  122   HD11  ILE  14           HD1      ILE  14  55.529   5.091  -1.173
  123   HD12  ILE  14           HD2      ILE  14  56.038   4.186   0.271
  124   HD13  ILE  14           HD3      ILE  14  56.449   5.912   0.111
  125    H    LYS  15           HN       LYS  15  51.930   8.465   1.795
  126    HA   LYS  15           HA       LYS  15  52.055  10.656   2.557
  127    HB2  LYS  15           HB2      LYS  15  52.853   9.744   5.308
  128    HB3  LYS  15           HB1      LYS  15  51.890  11.146   4.854
  129    HG2  LYS  15           HG2      LYS  15  49.995   9.803   4.325
  130    HG3  LYS  15           HG1      LYS  15  50.923   8.294   4.477
  131    HD2  LYS  15           HD2      LYS  15  51.210   8.621   6.854
  132    HD3  LYS  15           HD1      LYS  15  50.547  10.270   6.761
  133    HE2  LYS  15           HE2      LYS  15  48.348   9.429   6.180
  134    HE3  LYS  15           HE1      LYS  15  48.973   7.771   6.010
  135    HZ1  LYS  15           HZ1      LYS  15  49.156   7.514   8.255
  136    HZ2  LYS  15           HZ2      LYS  15  47.829   8.574   8.213
  137    HZ3  LYS  15           HZ3      LYS  15  49.383   9.166   8.561
  138    H    LYS  16           HN       LYS  16  53.790   8.828   1.221
  139    HA   LYS  16           HA       LYS  16  56.081   8.724   0.628
  140    HB2  LYS  16           HB2      LYS  16  55.463  11.186   0.306
  141    HB3  LYS  16           HB1      LYS  16  56.186  11.443   1.889
  142    HG2  LYS  16           HG2      LYS  16  58.039  11.888   0.495
  143    HG3  LYS  16           HG1      LYS  16  58.279  10.158   0.808
  144    HD2  LYS  16           HD2      LYS  16  57.115   9.604  -1.307
  145    HD3  LYS  16           HD1      LYS  16  56.854  11.337  -1.619
  146    HE2  LYS  16           HE2      LYS  16  59.369  11.645  -1.504
  147    HE3  LYS  16           HE1      LYS  16  59.519   9.873  -1.444
  148    HZ1  LYS  16           HZ1      LYS  16  58.489   9.684  -3.558
  149    HZ2  LYS  16           HZ2      LYS  16  59.690  10.877  -3.710
  150    HZ3  LYS  16           HZ3      LYS  16  58.054  11.323  -3.588
  151    H    LYS  17           HN       LYS  17  54.868   8.034   3.278
  152    HA   LYS  17           HA       LYS  17  55.748   7.111   5.240
  153    HB2  LYS  17           HB2      LYS  17  58.043   7.067   3.933
  154    HB3  LYS  17           HB1      LYS  17  58.424   8.491   4.918
  155    HG2  LYS  17           HG2      LYS  17  59.252   6.752   6.263
  156    HG3  LYS  17           HG1      LYS  17  57.636   7.010   6.951
  157    HD2  LYS  17           HD2      LYS  17  56.745   5.076   5.831
  158    HD3  LYS  17           HD1      LYS  17  58.182   4.923   4.792
  159    HE2  LYS  17           HE2      LYS  17  59.568   4.417   6.772
  160    HE3  LYS  17           HE1      LYS  17  58.144   4.597   7.824
  161    HZ1  LYS  17           HZ1      LYS  17  58.594   2.555   5.709
  162    HZ2  LYS  17           HZ2      LYS  17  57.084   2.816   6.445
  163    HZ3  LYS  17           HZ3      LYS  17  58.408   2.299   7.376
  164    H    GLY  18           HN       GLY  18  54.401   9.932   4.803
  165    HA2  GLY  18           HA1      GLY  18  54.192  10.809   7.411
  166    HA3  GLY  18           HA2      GLY  18  55.839  11.392   7.061
  167    H    ARG  19           HN       ARG  19  53.830  11.308   4.373
  168    HA   ARG  19           HA       ARG  19  52.959  13.051   3.158
  169    HB2  ARG  19           HB2      ARG  19  52.149  13.797   5.721
  170    HB3  ARG  19           HB1      ARG  19  53.251  15.133   5.318
  171    HG2  ARG  19           HG2      ARG  19  51.991  15.596   3.259
  172    HG3  ARG  19           HG1      ARG  19  50.932  14.198   3.559
  173    HD2  ARG  19           HD2      ARG  19  49.716  16.112   4.333
  174    HD3  ARG  19           HD1      ARG  19  50.329  15.307   5.796
  175    HE   ARG  19           HE       ARG  19  51.711  17.190   6.182
  176   HH11  ARG  19          HH11      ARG  19  49.587  18.724   4.634
  177   HH12  ARG  19          HH12      ARG  19  50.562  19.607   3.508
  178   HH21  ARG  19          HH21      ARG  19  53.381  17.648   4.006
  179   HH22  ARG  19          HH22      ARG  19  52.710  18.999   3.152
  180    H    LYS  20           HN       LYS  20  55.766  12.197   4.348
  181    HA   LYS  20           HA       LYS  20  57.494  14.406   4.342
  182    HB2  LYS  20           HB2      LYS  20  58.080  11.867   2.928
  183    HB3  LYS  20           HB1      LYS  20  59.112  13.321   3.063
  184    HG2  LYS  20           HG2      LYS  20  58.670  12.952   5.713
  185    HG3  LYS  20           HG1      LYS  20  58.353  11.277   5.210
  186    HD2  LYS  20           HD2      LYS  20  60.894  12.762   4.409
  187    HD3  LYS  20           HD1      LYS  20  60.762  11.836   5.916
  188    HE2  LYS  20           HE2      LYS  20  59.947  10.479   3.340
  189    HE3  LYS  20           HE1      LYS  20  61.680  10.680   3.692
  190    HZ1  LYS  20           HZ1      LYS  20  61.544   9.386   5.566
  191    HZ2  LYS  20           HZ2      LYS  20  60.424   8.605   4.553
  192    HZ3  LYS  20           HZ3      LYS  20  59.881   9.643   5.784
  193    H    ALA  21           HN       ALA  21  55.654  12.813   1.934
  194    HA   ALA  21           HA       ALA  21  56.962  13.780  -0.404
  195    HB1  ALA  21           HB1      ALA  21  54.237  13.211   0.433
  196    HB2  ALA  21           HB2      ALA  21  54.978  12.895  -1.154
  197    HB3  ALA  21           HB3      ALA  21  54.266  14.480  -0.795
  198    H    VAL  22           HN       VAL  22  57.110  15.073   1.970
  199    HA   VAL  22           HA       VAL  22  57.890  17.584   1.365
  200    HB   VAL  22           HB       VAL  22  54.924  17.710   1.275
  201   HG11  VAL  22          HG11      VAL  22  55.113  18.678   3.517
  202   HG12  VAL  22          HG12      VAL  22  54.728  19.958   2.342
  203   HG13  VAL  22          HG13      VAL  22  56.387  19.790   2.960
  204   HG21  VAL  22          HG21      VAL  22  56.875  19.934   0.565
  205   HG22  VAL  22          HG22      VAL  22  55.299  19.555  -0.171
  206   HG23  VAL  22          HG23      VAL  22  56.699  18.497  -0.464
  207    H    ILE  23           HN       ILE  23  56.330  15.732   4.118
  208    HA   ILE  23           HA       ILE  23  57.463  17.788   5.875
  209    HB   ILE  23           HB       ILE  23  56.791  14.842   6.425
  210   HG12  ILE  23          HG12      ILE  23  55.711  17.510   7.457
  211   HG13  ILE  23          HG11      ILE  23  54.946  16.521   6.199
  212   HG21  ILE  23          HG21      ILE  23  57.291  15.610   8.886
  213   HG22  ILE  23          HG22      ILE  23  58.251  16.894   8.134
  214   HG23  ILE  23          HG23      ILE  23  58.666  15.187   7.851
  215   HD11  ILE  23           HD1      ILE  23  55.258  14.684   8.308
  216   HD12  ILE  23           HD2      ILE  23  53.759  15.558   7.925
  217   HD13  ILE  23           HD3      ILE  23  54.874  16.196   9.156
  218    H    ALA  24           HN       ALA  24  58.852  16.030   3.377
  219    HA   ALA  24           HA       ALA  24  61.396  16.808   3.611
  220    HB1  ALA  24           HB1      ALA  24  62.625  14.807   4.877
  221    HB2  ALA  24           HB2      ALA  24  61.078  14.703   5.746
  222    HB3  ALA  24           HB3      ALA  24  62.022  16.210   5.782
  223    H    TRP  25           HN       TRP  25  59.660  15.807   1.794
  224    HA   TRP  25           HA       TRP  25  59.400  14.168   0.096
  225    HB2  TRP  25           HB2      TRP  25  60.981  15.966  -0.658
  226    HB3  TRP  25           HB1      TRP  25  62.334  14.904  -0.202
  227    HD1  TRP  25           HD1      TRP  25  59.115  14.640  -2.365
  228    HE1  TRP  25           HE1      TRP  25  59.644  13.232  -4.486
  229    HE3  TRP  25           HE3      TRP  25  64.008  13.500  -1.378
  230    HZ2  TRP  25           HZ2      TRP  25  61.901  11.816  -5.579
  231    HZ3  TRP  25           HZ3      TRP  25  65.329  12.119  -2.975
  232    HH2  TRP  25           HH2      TRP  25  64.282  11.276  -5.071
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  41.068   2.085  -5.953
    2    H2   ALA   1           HT2      ALA   1  42.686   2.492  -5.636
    3    H3   ALA   1           HT3      ALA   1  42.257   1.797  -7.126
    4    HA   ALA   1           HA       ALA   1  41.785   3.721  -8.008
    5    HB1  ALA   1           HB1      ALA   1  40.191   5.273  -6.963
    6    HB2  ALA   1           HB2      ALA   1  40.256   4.314  -5.460
    7    HB3  ALA   1           HB3      ALA   1  39.588   3.597  -6.945
    8    H    GLY   2           HN       GLY   2  41.604   6.253  -7.079
    9    HA2  GLY   2           HA1      GLY   2  43.518   7.121  -5.171
   10    HA3  GLY   2           HA2      GLY   2  44.276   6.957  -6.793
   11    H    LYS   3           HN       LYS   3  41.806   7.324  -7.874
   12    HA   LYS   3           HA       LYS   3  41.876  10.273  -7.792
   13    HB2  LYS   3           HB2      LYS   3  41.443   9.061 -10.025
   14    HB3  LYS   3           HB1      LYS   3  39.882   8.544  -9.342
   15    HG2  LYS   3           HG2      LYS   3  39.183  10.872  -9.064
   16    HG3  LYS   3           HG1      LYS   3  40.777  11.447  -9.610
   17    HD2  LYS   3           HD2      LYS   3  40.418  10.431 -11.821
   18    HD3  LYS   3           HD1      LYS   3  38.850   9.779 -11.286
   19    HE2  LYS   3           HE2      LYS   3  38.541  11.869 -12.576
   20    HE3  LYS   3           HE1      LYS   3  38.028  12.083 -10.886
   21    HZ1  LYS   3           HZ1      LYS   3  39.705  13.500 -10.472
   22    HZ2  LYS   3           HZ2      LYS   3  39.712  13.723 -12.156
   23    HZ3  LYS   3           HZ3      LYS   3  40.823  12.661 -11.433
   24    H    GLU   4           HN       GLU   4  40.724   7.723  -6.244
   25    HA   GLU   4           HA       GLU   4  38.335   8.933  -5.085
   26    HB2  GLU   4           HB2      GLU   4  39.243   6.398  -5.072
   27    HB3  GLU   4           HB1      GLU   4  40.193   6.979  -3.676
   28    HG2  GLU   4           HG2      GLU   4  37.872   7.899  -2.812
   29    HG3  GLU   4           HG1      GLU   4  37.158   6.803  -4.016
   30    H    THR   5           HN       THR   5  41.728   9.162  -5.310
   31    HA   THR   5           HA       THR   5  43.291   9.861  -3.699
   32    HB   THR   5           HB       THR   5  41.660  12.429  -4.110
   33    HG1  THR   5           HG1      THR   5  43.710  11.322  -5.736
   34   HG21  THR   5          HG21      THR   5  44.545  11.841  -3.365
   35   HG22  THR   5          HG22      THR   5  43.393  12.965  -2.601
   36   HG23  THR   5          HG23      THR   5  44.102  13.358  -4.182
   37    H    ILE   6           HN       ILE   6  42.605   8.616  -2.318
   38    HA   ILE   6           HA       ILE   6  42.747   9.390   0.318
   39    HB   ILE   6           HB       ILE   6  40.305  10.278  -0.098
   40   HG12  ILE   6          HG12      ILE   6  40.752   8.102   1.993
   41   HG13  ILE   6          HG11      ILE   6  41.274   9.796   2.143
   42   HG21  ILE   6          HG21      ILE   6  39.799   8.097  -1.482
   43   HG22  ILE   6          HG22      ILE   6  38.539   8.745  -0.407
   44   HG23  ILE   6          HG23      ILE   6  39.520   7.352   0.108
   45   HD11  ILE   6           HD1      ILE   6  38.427   8.734   1.966
   46   HD12  ILE   6           HD2      ILE   6  38.830  10.457   1.770
   47   HD13  ILE   6           HD3      ILE   6  39.175   9.630   3.308
   48    H    ARG   7           HN       ARG   7  42.392   7.610  -2.470
   49    HA   ARG   7           HA       ARG   7  42.268   4.971  -0.934
   50    HB2  ARG   7           HB2      ARG   7  40.920   4.993  -2.948
   51    HB3  ARG   7           HB1      ARG   7  42.286   5.546  -3.934
   52    HG2  ARG   7           HG2      ARG   7  41.632   3.030  -4.029
   53    HG3  ARG   7           HG1      ARG   7  43.345   3.400  -3.826
   54    HD2  ARG   7           HD2      ARG   7  42.440   1.569  -2.315
   55    HD3  ARG   7           HD1      ARG   7  43.240   2.898  -1.451
   56    HE   ARG   7           HE       ARG   7  41.154   3.387  -0.460
   57   HH11  ARG   7          HH11      ARG   7  40.828   1.240  -3.127
   58   HH12  ARG   7          HH12      ARG   7  39.098   1.196  -3.055
   59   HH21  ARG   7          HH21      ARG   7  38.880   3.479  -0.456
   60   HH22  ARG   7          HH22      ARG   7  37.996   2.463  -1.545
   61    H    GLN   8           HN       GLN   8  44.220   6.471  -0.141
   62    HA   GLN   8           HA       GLN   8  46.449   6.364   0.332
   63    HB2  GLN   8           HB2      GLN   8  46.686   4.017  -1.591
   64    HB3  GLN   8           HB1      GLN   8  47.790   4.457  -0.276
   65    HG2  GLN   8           HG2      GLN   8  46.041   4.026   1.393
   66    HG3  GLN   8           HG1      GLN   8  44.874   3.655   0.102
   67   HE21  GLN   8          HE21      GLN   8  46.827   2.147   2.336
   68   HE22  GLN   8          HE22      GLN   8  47.153   0.649   1.459
   69    H    TYR   9           HN       TYR   9  45.174   7.478  -2.329
   70    HA   TYR   9           HA       TYR   9  47.828   7.994  -3.682
   71    HB2  TYR   9           HB2      TYR   9  45.866   7.263  -5.096
   72    HB3  TYR   9           HB1      TYR   9  45.060   8.779  -4.649
   73    HD1  TYR   9           HD1      TYR   9  45.905  10.953  -5.424
   74    HD2  TYR   9           HD2      TYR   9  47.846   7.264  -6.543
   75    HE1  TYR   9           HE1      TYR   9  47.178  12.161  -7.192
   76    HE2  TYR   9           HE2      TYR   9  49.118   8.472  -8.313
   77    HH   TYR   9           HH       TYR   9  49.619  10.497  -9.179
   78    H    LEU  10           HN       LEU  10  45.720   9.119  -1.342
   79    HA   LEU  10           HA       LEU  10  46.334  12.025  -1.794
   80    HB2  LEU  10           HB2      LEU  10  44.097  11.439  -0.947
   81    HB3  LEU  10           HB1      LEU  10  44.811  10.542   0.404
   82    HG   LEU  10           HG       LEU  10  45.767  13.382   0.182
   83   HD11  LEU  10          HD11      LEU  10  43.624  14.228   1.304
   84   HD12  LEU  10          HD12      LEU  10  42.845  12.733   0.732
   85   HD13  LEU  10          HD13      LEU  10  43.509  13.895  -0.438
   86   HD21  LEU  10          HD21      LEU  10  45.598  13.322   2.578
   87   HD22  LEU  10          HD22      LEU  10  46.179  11.710   2.102
   88   HD23  LEU  10          HD23      LEU  10  44.474  11.943   2.540
   89    H    LYS  11           HN       LYS  11  47.601   9.235  -0.631
   90    HA   LYS  11           HA       LYS  11  49.509  10.550   1.292
   91    HB2  LYS  11           HB2      LYS  11  48.278   7.788   1.186
   92    HB3  LYS  11           HB1      LYS  11  49.688   8.183   2.187
   93    HG2  LYS  11           HG2      LYS  11  48.354   9.974   3.313
   94    HG3  LYS  11           HG1      LYS  11  46.941   9.492   2.345
   95    HD2  LYS  11           HD2      LYS  11  47.240   7.137   3.294
   96    HD3  LYS  11           HD1      LYS  11  48.417   7.838   4.430
   97    HE2  LYS  11           HE2      LYS  11  45.511   8.712   4.121
   98    HE3  LYS  11           HE1      LYS  11  46.162   7.722   5.449
   99    HZ1  LYS  11           HZ1      LYS  11  45.995  10.100   6.005
  100    HZ2  LYS  11           HZ2      LYS  11  47.096  10.465   4.764
  101    HZ3  LYS  11           HZ3      LYS  11  47.589   9.526   6.092
  102    H    ASN  12           HN       ASN  12  48.960   7.886  -0.837
  103    HA   ASN  12           HA       ASN  12  50.293   7.292  -2.695
  104    HB2  ASN  12           HB2      ASN  12  52.725   8.403  -1.285
  105    HB3  ASN  12           HB1      ASN  12  52.645   7.742  -2.924
  106   HD21  ASN  12          HD21      ASN  12  49.745   9.400  -2.376
  107   HD22  ASN  12          HD22      ASN  12  50.208  10.951  -3.085
  108    H    GLU  13           HN       GLU  13  49.467   6.573   0.081
  109    HA   GLU  13           HA       GLU  13  49.485   4.599   1.336
  110    HB2  GLU  13           HB2      GLU  13  50.108   3.584  -1.032
  111    HB3  GLU  13           HB1      GLU  13  51.738   3.452  -0.341
  112    HG2  GLU  13           HG2      GLU  13  50.695   2.236   1.638
  113    HG3  GLU  13           HG1      GLU  13  49.171   2.194   0.718
  114    H    ILE  14           HN       ILE  14  51.556   6.898   0.984
  115    HA   ILE  14           HA       ILE  14  53.251   6.311   3.328
  116    HB   ILE  14           HB       ILE  14  55.050   7.417   1.481
  117   HG12  ILE  14          HG12      ILE  14  53.703   4.979   0.293
  118   HG13  ILE  14          HG11      ILE  14  53.649   6.631  -0.333
  119   HG21  ILE  14          HG21      ILE  14  56.413   5.501   1.926
  120   HG22  ILE  14          HG22      ILE  14  54.993   4.498   2.298
  121   HG23  ILE  14          HG23      ILE  14  55.489   5.790   3.413
  122   HD11  ILE  14           HD1      ILE  14  56.267   6.483  -0.321
  123   HD12  ILE  14           HD2      ILE  14  55.367   5.667  -1.619
  124   HD13  ILE  14           HD3      ILE  14  55.987   4.726  -0.245
  125    H    LYS  15           HN       LYS  15  51.441   8.649   1.396
  126    HA   LYS  15           HA       LYS  15  51.600  10.950   1.871
  127    HB2  LYS  15           HB2      LYS  15  52.401  11.168   4.504
  128    HB3  LYS  15           HB1      LYS  15  50.767  11.298   3.940
  129    HG2  LYS  15           HG2      LYS  15  50.807   8.646   4.135
  130    HG3  LYS  15           HG1      LYS  15  52.169   8.941   5.231
  131    HD2  LYS  15           HD2      LYS  15  50.624  10.645   6.409
  132    HD3  LYS  15           HD1      LYS  15  49.300   9.890   5.493
  133    HE2  LYS  15           HE2      LYS  15  51.116   8.630   7.577
  134    HE3  LYS  15           HE1      LYS  15  49.338   8.710   7.558
  135    HZ1  LYS  15           HZ1      LYS  15  51.085   6.785   6.363
  136    HZ2  LYS  15           HZ2      LYS  15  50.009   7.438   5.223
  137    HZ3  LYS  15           HZ3      LYS  15  49.413   6.703   6.634
  138    H    LYS  16           HN       LYS  16  53.387   9.273   0.717
  139    HA   LYS  16           HA       LYS  16  55.614   9.165   0.062
  140    HB2  LYS  16           HB2      LYS  16  55.153  12.096   0.679
  141    HB3  LYS  16           HB1      LYS  16  56.729  11.501   0.092
  142    HG2  LYS  16           HG2      LYS  16  54.140  10.776  -1.362
  143    HG3  LYS  16           HG1      LYS  16  54.950  12.309  -1.708
  144    HD2  LYS  16           HD2      LYS  16  57.104  10.784  -2.054
  145    HD3  LYS  16           HD1      LYS  16  55.916   9.478  -2.229
  146    HE2  LYS  16           HE2      LYS  16  54.738  10.984  -3.953
  147    HE3  LYS  16           HE1      LYS  16  56.211  11.981  -3.924
  148    HZ1  LYS  16           HZ1      LYS  16  56.039  10.089  -5.630
  149    HZ2  LYS  16           HZ2      LYS  16  56.366   9.053  -4.322
  150    HZ3  LYS  16           HZ3      LYS  16  57.486  10.253  -4.761
  151    H    LYS  17           HN       LYS  17  54.726   8.528   2.689
  152    HA   LYS  17           HA       LYS  17  55.692   7.803   4.616
  153    HB2  LYS  17           HB2      LYS  17  58.179   9.422   3.948
  154    HB3  LYS  17           HB1      LYS  17  58.012   8.210   5.226
  155    HG2  LYS  17           HG2      LYS  17  57.754   6.429   3.653
  156    HG3  LYS  17           HG1      LYS  17  57.518   7.556   2.298
  157    HD2  LYS  17           HD2      LYS  17  59.829   8.326   2.473
  158    HD3  LYS  17           HD1      LYS  17  60.083   7.336   3.930
  159    HE2  LYS  17           HE2      LYS  17  59.269   6.169   1.238
  160    HE3  LYS  17           HE1      LYS  17  60.960   6.310   1.770
  161    HZ1  LYS  17           HZ1      LYS  17  59.373   4.207   2.292
  162    HZ2  LYS  17           HZ2      LYS  17  59.164   5.121   3.709
  163    HZ3  LYS  17           HZ3      LYS  17  60.721   4.641   3.227
  164    H    GLY  18           HN       GLY  18  53.996  10.455   4.127
  165    HA2  GLY  18           HA1      GLY  18  53.433  11.547   6.475
  166    HA3  GLY  18           HA2      GLY  18  55.166  11.889   6.603
  167    H    ARG  19           HN       ARG  19  53.408  12.167   3.556
  168    HA   ARG  19           HA       ARG  19  53.448  13.995   2.146
  169    HB2  ARG  19           HB2      ARG  19  52.894  15.261   4.851
  170    HB3  ARG  19           HB1      ARG  19  53.436  16.333   3.544
  171    HG2  ARG  19           HG2      ARG  19  51.161  14.369   3.049
  172    HG3  ARG  19           HG1      ARG  19  50.840  15.894   3.903
  173    HD2  ARG  19           HD2      ARG  19  51.498  17.215   2.040
  174    HD3  ARG  19           HD1      ARG  19  52.326  15.853   1.249
  175    HE   ARG  19           HE       ARG  19  49.603  15.122   1.503
  176   HH11  ARG  19          HH11      ARG  19  51.790  17.026  -0.316
  177   HH12  ARG  19          HH12      ARG  19  50.630  17.466  -1.523
  178   HH21  ARG  19          HH21      ARG  19  47.981  15.899   0.075
  179   HH22  ARG  19          HH22      ARG  19  48.472  16.828  -1.302
  180    H    LYS  20           HN       LYS  20  55.650  12.560   3.752
  181    HA   LYS  20           HA       LYS  20  57.544  14.602   4.438
  182    HB2  LYS  20           HB2      LYS  20  58.195  11.876   3.567
  183    HB3  LYS  20           HB1      LYS  20  59.360  13.211   3.844
  184    HG2  LYS  20           HG2      LYS  20  58.544  13.457   6.183
  185    HG3  LYS  20           HG1      LYS  20  57.419  12.115   5.951
  186    HD2  LYS  20           HD2      LYS  20  59.300  10.565   5.601
  187    HD3  LYS  20           HD1      LYS  20  60.450  11.915   5.709
  188    HE2  LYS  20           HE2      LYS  20  60.190  10.566   7.846
  189    HE3  LYS  20           HE1      LYS  20  59.883  12.309   8.025
  190    HZ1  LYS  20           HZ1      LYS  20  57.516  11.878   7.833
  191    HZ2  LYS  20           HZ2      LYS  20  58.174  10.972   9.110
  192    HZ3  LYS  20           HZ3      LYS  20  57.797  10.218   7.634
  193    H    ALA  21           HN       ALA  21  56.601  13.049   1.578
  194    HA   ALA  21           HA       ALA  21  58.843  13.788  -0.047
  195    HB1  ALA  21           HB1      ALA  21  56.923  14.783  -1.669
  196    HB2  ALA  21           HB2      ALA  21  55.928  13.959  -0.468
  197    HB3  ALA  21           HB3      ALA  21  57.122  13.045  -1.419
  198    H    VAL  22           HN       VAL  22  58.216  15.205   2.177
  199    HA   VAL  22           HA       VAL  22  59.503  17.596   1.822
  200    HB   VAL  22           HB       VAL  22  57.718  18.539   0.378
  201   HG11  VAL  22          HG11      VAL  22  55.978  18.042   2.828
  202   HG12  VAL  22          HG12      VAL  22  55.819  17.269   1.231
  203   HG13  VAL  22          HG13      VAL  22  55.481  19.006   1.417
  204   HG21  VAL  22          HG21      VAL  22  57.464  20.653   1.483
  205   HG22  VAL  22          HG22      VAL  22  59.017  19.989   2.044
  206   HG23  VAL  22          HG23      VAL  22  57.582  19.905   3.094
  207    H    ILE  23           HN       ILE  23  56.873  16.127   3.959
  208    HA   ILE  23           HA       ILE  23  57.830  17.928   6.043
  209    HB   ILE  23           HB       ILE  23  56.800  15.070   6.455
  210   HG12  ILE  23          HG12      ILE  23  55.119  16.328   5.212
  211   HG13  ILE  23          HG11      ILE  23  54.590  16.191   6.896
  212   HG21  ILE  23          HG21      ILE  23  57.717  15.659   8.510
  213   HG22  ILE  23          HG22      ILE  23  56.077  16.315   8.700
  214   HG23  ILE  23          HG23      ILE  23  57.427  17.396   8.284
  215   HD11  ILE  23           HD1      ILE  23  55.742  18.529   7.202
  216   HD12  ILE  23           HD2      ILE  23  54.177  18.458   6.369
  217   HD13  ILE  23           HD3      ILE  23  55.677  18.615   5.427
  218    H    ALA  24           HN       ALA  24  59.572  15.939   3.979
  219    HA   ALA  24           HA       ALA  24  62.032  16.165   4.976
  220    HB1  ALA  24           HB1      ALA  24  61.811  15.519   7.223
  221    HB2  ALA  24           HB2      ALA  24  62.438  14.036   6.483
  222    HB3  ALA  24           HB3      ALA  24  60.701  14.187   6.833
  223    H    TRP  25           HN       TRP  25  60.824  15.508   2.650
  224    HA   TRP  25           HA       TRP  25  61.061  14.135   0.790
  225    HB2  TRP  25           HB2      TRP  25  63.451  14.607   1.191
  226    HB3  TRP  25           HB1      TRP  25  63.545  13.207   2.287
  227    HD1  TRP  25           HD1      TRP  25  62.179  13.757  -1.314
  228    HE1  TRP  25           HE1      TRP  25  62.980  11.796  -2.821
  229    HE3  TRP  25           HE3      TRP  25  64.848  11.106   2.160
  230    HZ2  TRP  25           HZ2      TRP  25  64.567   9.411  -2.527
  231    HZ3  TRP  25           HZ3      TRP  25  65.996   8.990   1.525
  232    HH2  TRP  25           HH2      TRP  25  65.858   8.141  -0.814
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  41.211   3.720  -7.346
    2    H2   ALA   1           HT2      ALA   1  42.631   2.799  -7.487
    3    H3   ALA   1           HT3      ALA   1  41.492   2.811  -8.748
    4    HA   ALA   1           HA       ALA   1  43.649   4.239  -8.836
    5    HB1  ALA   1           HB1      ALA   1  42.555   5.602 -10.462
    6    HB2  ALA   1           HB2      ALA   1  40.973   5.398  -9.671
    7    HB3  ALA   1           HB3      ALA   1  41.739   4.021 -10.501
    8    H    GLY   2           HN       GLY   2  44.351   6.388  -8.501
    9    HA2  GLY   2           HA1      GLY   2  43.394   7.514  -5.935
   10    HA3  GLY   2           HA2      GLY   2  44.807   8.042  -6.886
   11    H    LYS   3           HN       LYS   3  41.472   7.531  -7.835
   12    HA   LYS   3           HA       LYS   3  41.325  10.438  -8.415
   13    HB2  LYS   3           HB2      LYS   3  40.597   8.398 -10.099
   14    HB3  LYS   3           HB1      LYS   3  39.065   8.619  -9.229
   15    HG2  LYS   3           HG2      LYS   3  40.609  10.781 -10.737
   16    HG3  LYS   3           HG1      LYS   3  39.105   9.995 -11.272
   17    HD2  LYS   3           HD2      LYS   3  38.118  10.842  -8.991
   18    HD3  LYS   3           HD1      LYS   3  39.528  11.930  -8.969
   19    HE2  LYS   3           HE2      LYS   3  37.338  11.775 -11.078
   20    HE3  LYS   3           HE1      LYS   3  37.726  13.144 -10.009
   21    HZ1  LYS   3           HZ1      LYS   3  39.730  12.043 -11.891
   22    HZ2  LYS   3           HZ2      LYS   3  39.692  13.571 -11.151
   23    HZ3  LYS   3           HZ3      LYS   3  38.597  13.199 -12.396
   24    H    GLU   4           HN       GLU   4  40.481   7.947  -6.422
   25    HA   GLU   4           HA       GLU   4  38.320   9.397  -5.060
   26    HB2  GLU   4           HB2      GLU   4  40.252   7.395  -3.766
   27    HB3  GLU   4           HB1      GLU   4  38.527   7.703  -3.394
   28    HG2  GLU   4           HG2      GLU   4  39.606   6.343  -5.901
   29    HG3  GLU   4           HG1      GLU   4  38.685   5.577  -4.587
   30    H    THR   5           HN       THR   5  41.644   9.583  -5.851
   31    HA   THR   5           HA       THR   5  43.465  10.297  -4.484
   32    HB   THR   5           HB       THR   5  41.969  12.962  -4.536
   33    HG1  THR   5           HG1      THR   5  41.485  11.910  -6.485
   34   HG21  THR   5          HG21      THR   5  44.110  13.890  -4.991
   35   HG22  THR   5          HG22      THR   5  44.778  12.319  -5.493
   36   HG23  THR   5          HG23      THR   5  44.428  12.629  -3.776
   37    H    ILE   6           HN       ILE   6  42.650   9.055  -3.010
   38    HA   ILE   6           HA       ILE   6  43.165   9.822  -0.418
   39    HB   ILE   6           HB       ILE   6  40.701  10.865  -0.777
   40   HG12  ILE   6          HG12      ILE   6  40.114   9.975   1.641
   41   HG13  ILE   6          HG11      ILE   6  41.702   9.182   1.555
   42   HG21  ILE   6          HG21      ILE   6  39.873   8.048  -0.009
   43   HG22  ILE   6          HG22      ILE   6  39.950   8.537  -1.714
   44   HG23  ILE   6          HG23      ILE   6  38.866   9.392  -0.596
   45   HD11  ILE   6           HD1      ILE   6  41.649  11.501   2.646
   46   HD12  ILE   6           HD2      ILE   6  41.323  12.164   1.030
   47   HD13  ILE   6           HD3      ILE   6  42.842  11.292   1.348
   48    H    ARG   7           HN       ARG   7  42.734   8.062  -3.126
   49    HA   ARG   7           HA       ARG   7  42.030   5.433  -1.874
   50    HB2  ARG   7           HB2      ARG   7  41.896   6.073  -4.441
   51    HB3  ARG   7           HB1      ARG   7  43.625   5.709  -4.458
   52    HG2  ARG   7           HG2      ARG   7  42.563   3.667  -5.062
   53    HG3  ARG   7           HG1      ARG   7  43.014   3.462  -3.360
   54    HD2  ARG   7           HD2      ARG   7  40.394   4.616  -3.311
   55    HD3  ARG   7           HD1      ARG   7  40.350   3.344  -4.552
   56    HE   ARG   7           HE       ARG   7  41.681   2.326  -2.232
   57   HH11  ARG   7          HH11      ARG   7  38.622   3.633  -3.107
   58   HH12  ARG   7          HH12      ARG   7  37.715   2.492  -2.171
   59   HH21  ARG   7          HH21      ARG   7  40.510   0.729  -1.122
   60   HH22  ARG   7          HH22      ARG   7  38.784   0.848  -1.047
   61    H    GLN   8           HN       GLN   8  44.064   7.120  -0.666
   62    HA   GLN   8           HA       GLN   8  45.980   6.809   0.464
   63    HB2  GLN   8           HB2      GLN   8  46.514   4.180  -0.988
   64    HB3  GLN   8           HB1      GLN   8  47.183   4.747   0.552
   65    HG2  GLN   8           HG2      GLN   8  44.314   3.866   0.013
   66    HG3  GLN   8           HG1      GLN   8  45.506   3.098   1.081
   67   HE21  GLN   8          HE21      GLN   8  46.120   4.250   3.096
   68   HE22  GLN   8          HE22      GLN   8  45.025   5.465   3.766
   69    H    TYR   9           HN       TYR   9  45.203   7.641  -2.318
   70    HA   TYR   9           HA       TYR   9  47.954   7.752  -3.530
   71    HB2  TYR   9           HB2      TYR   9  45.892   7.262  -4.950
   72    HB3  TYR   9           HB1      TYR   9  45.351   8.916  -4.592
   73    HD1  TYR   9           HD1      TYR   9  47.736   6.845  -6.468
   74    HD2  TYR   9           HD2      TYR   9  46.693  10.882  -5.355
   75    HE1  TYR   9           HE1      TYR   9  49.218   7.724  -8.269
   76    HE2  TYR   9           HE2      TYR   9  48.173  11.762  -7.156
   77    HH   TYR   9           HH       TYR   9  49.962  11.114  -8.579
   78    H    LEU  10           HN       LEU  10  45.614   9.377  -1.585
   79    HA   LEU  10           HA       LEU  10  46.886  12.063  -1.954
   80    HB2  LEU  10           HB2      LEU  10  44.387  11.650  -1.368
   81    HB3  LEU  10           HB1      LEU  10  44.959  11.226   0.255
   82    HG   LEU  10           HG       LEU  10  46.258  13.565   0.069
   83   HD11  LEU  10          HD11      LEU  10  44.934  15.237  -1.210
   84   HD12  LEU  10          HD12      LEU  10  43.924  13.926  -1.863
   85   HD13  LEU  10          HD13      LEU  10  45.651  14.014  -2.284
   86   HD21  LEU  10          HD21      LEU  10  44.347  14.691   1.122
   87   HD22  LEU  10          HD22      LEU  10  44.447  13.013   1.706
   88   HD23  LEU  10          HD23      LEU  10  43.237  13.459   0.478
   89    H    LYS  11           HN       LYS  11  47.459   9.153  -0.580
   90    HA   LYS  11           HA       LYS  11  49.408  10.252   1.439
   91    HB2  LYS  11           HB2      LYS  11  47.773   7.704   1.707
   92    HB3  LYS  11           HB1      LYS  11  48.946   8.357   2.871
   93    HG2  LYS  11           HG2      LYS  11  47.536  10.304   3.285
   94    HG3  LYS  11           HG1      LYS  11  46.411   9.808   1.997
   95    HD2  LYS  11           HD2      LYS  11  45.953   7.694   3.267
   96    HD3  LYS  11           HD1      LYS  11  46.986   8.299   4.585
   97    HE2  LYS  11           HE2      LYS  11  44.569   9.810   3.510
   98    HE3  LYS  11           HE1      LYS  11  44.507   8.723   4.918
   99    HZ1  LYS  11           HZ1      LYS  11  45.858  10.106   6.148
  100    HZ2  LYS  11           HZ2      LYS  11  44.941  11.233   5.268
  101    HZ3  LYS  11           HZ3      LYS  11  46.530  10.869   4.792
  102    H    ASN  12           HN       ASN  12  48.788   8.597  -1.415
  103    HA   ASN  12           HA       ASN  12  50.180   7.126  -2.573
  104    HB2  ASN  12           HB2      ASN  12  52.251   8.550  -0.924
  105    HB3  ASN  12           HB1      ASN  12  52.629   7.475  -2.292
  106   HD21  ASN  12          HD21      ASN  12  50.492  10.326  -1.538
  107   HD22  ASN  12          HD22      ASN  12  50.730  11.083  -3.116
  108    H    GLU  13           HN       GLU  13  49.267   6.589   0.406
  109    HA   GLU  13           HA       GLU  13  49.249   4.682   1.757
  110    HB2  GLU  13           HB2      GLU  13  51.395   3.463  -0.018
  111    HB3  GLU  13           HB1      GLU  13  50.354   2.635   1.145
  112    HG2  GLU  13           HG2      GLU  13  48.414   2.883  -0.198
  113    HG3  GLU  13           HG1      GLU  13  49.154   4.149  -1.202
  114    H    ILE  14           HN       ILE  14  51.672   6.705   1.019
  115    HA   ILE  14           HA       ILE  14  53.389   6.130   3.393
  116    HB   ILE  14           HB       ILE  14  54.958   7.388   1.425
  117   HG12  ILE  14          HG12      ILE  14  53.526   4.960   0.344
  118   HG13  ILE  14          HG11      ILE  14  53.401   6.630  -0.255
  119   HG21  ILE  14          HG21      ILE  14  55.628   5.686   3.255
  120   HG22  ILE  14          HG22      ILE  14  56.443   5.553   1.687
  121   HG23  ILE  14          HG23      ILE  14  55.118   4.438   2.098
  122   HD11  ILE  14           HD1      ILE  14  54.975   5.650  -1.724
  123   HD12  ILE  14           HD2      ILE  14  55.760   4.736  -0.417
  124   HD13  ILE  14           HD3      ILE  14  55.996   6.498  -0.539
  125    H    LYS  15           HN       LYS  15  51.466   8.518   1.742
  126    HA   LYS  15           HA       LYS  15  51.476  10.769   2.340
  127    HB2  LYS  15           HB2      LYS  15  52.628   9.806   4.973
  128    HB3  LYS  15           HB1      LYS  15  51.901  11.386   4.678
  129    HG2  LYS  15           HG2      LYS  15  49.771  10.217   4.080
  130    HG3  LYS  15           HG1      LYS  15  50.533   8.686   4.575
  131    HD2  LYS  15           HD2      LYS  15  50.923   9.592   6.838
  132    HD3  LYS  15           HD1      LYS  15  50.189  11.139   6.353
  133    HE2  LYS  15           HE2      LYS  15  48.562   9.707   7.565
  134    HE3  LYS  15           HE1      LYS  15  48.050   9.991   5.885
  135    HZ1  LYS  15           HZ1      LYS  15  48.835   7.854   5.256
  136    HZ2  LYS  15           HZ2      LYS  15  47.890   7.638   6.651
  137    HZ3  LYS  15           HZ3      LYS  15  49.585   7.597   6.755
  138    H    LYS  16           HN       LYS  16  53.212   9.141   0.877
  139    HA   LYS  16           HA       LYS  16  55.362   9.130  -0.020
  140    HB2  LYS  16           HB2      LYS  16  54.930  12.029   0.765
  141    HB3  LYS  16           HB1      LYS  16  56.431  11.478  -0.030
  142    HG2  LYS  16           HG2      LYS  16  53.715  10.738  -1.209
  143    HG3  LYS  16           HG1      LYS  16  54.402  12.332  -1.547
  144    HD2  LYS  16           HD2      LYS  16  56.557  11.014  -2.277
  145    HD3  LYS  16           HD1      LYS  16  55.489   9.596  -2.308
  146    HE2  LYS  16           HE2      LYS  16  55.480  10.493  -4.532
  147    HE3  LYS  16           HE1      LYS  16  53.925  10.958  -3.802
  148    HZ1  LYS  16           HZ1      LYS  16  54.579  13.132  -3.586
  149    HZ2  LYS  16           HZ2      LYS  16  55.390  12.715  -5.020
  150    HZ3  LYS  16           HZ3      LYS  16  56.235  12.768  -3.548
  151    H    LYS  17           HN       LYS  17  54.735   8.424   2.732
  152    HA   LYS  17           HA       LYS  17  56.030   7.634   4.476
  153    HB2  LYS  17           HB2      LYS  17  58.091   8.086   2.923
  154    HB3  LYS  17           HB1      LYS  17  58.277   9.563   3.877
  155    HG2  LYS  17           HG2      LYS  17  59.591   8.150   5.184
  156    HG3  LYS  17           HG1      LYS  17  58.016   7.848   5.946
  157    HD2  LYS  17           HD2      LYS  17  58.756   5.654   5.560
  158    HD3  LYS  17           HD1      LYS  17  57.803   5.949   4.091
  159    HE2  LYS  17           HE2      LYS  17  60.046   6.784   3.049
  160    HE3  LYS  17           HE1      LYS  17  60.820   5.971   4.429
  161    HZ1  LYS  17           HZ1      LYS  17  58.872   4.636   2.622
  162    HZ2  LYS  17           HZ2      LYS  17  59.869   3.911   3.790
  163    HZ3  LYS  17           HZ3      LYS  17  60.551   4.580   2.386
  164    H    GLY  18           HN       GLY  18  54.171  10.233   4.204
  165    HA2  GLY  18           HA1      GLY  18  53.603  11.147   6.594
  166    HA3  GLY  18           HA2      GLY  18  55.317  11.613   6.683
  167    H    ARG  19           HN       ARG  19  53.382  11.901   3.749
  168    HA   ARG  19           HA       ARG  19  53.198  13.805   2.457
  169    HB2  ARG  19           HB2      ARG  19  52.208  14.565   5.042
  170    HB3  ARG  19           HB1      ARG  19  53.384  15.833   4.615
  171    HG2  ARG  19           HG2      ARG  19  52.199  16.045   2.375
  172    HG3  ARG  19           HG1      ARG  19  50.948  14.942   2.997
  173    HD2  ARG  19           HD2      ARG  19  50.458  16.485   4.843
  174    HD3  ARG  19           HD1      ARG  19  51.767  17.569   4.313
  175    HE   ARG  19           HE       ARG  19  50.231  18.455   2.769
  176   HH11  ARG  19          HH11      ARG  19  47.826  17.425   4.058
  177   HH12  ARG  19          HH12      ARG  19  47.121  16.406   2.849
  178   HH21  ARG  19          HH21      ARG  19  50.025  16.171   0.969
  179   HH22  ARG  19          HH22      ARG  19  48.364  15.696   1.100
  180    H    LYS  20           HN       LYS  20  55.598  12.423   3.815
  181    HA   LYS  20           HA       LYS  20  57.447  14.515   4.460
  182    HB2  LYS  20           HB2      LYS  20  58.100  11.855   3.392
  183    HB3  LYS  20           HB1      LYS  20  59.250  13.217   3.569
  184    HG2  LYS  20           HG2      LYS  20  58.605  13.355   6.030
  185    HG3  LYS  20           HG1      LYS  20  57.690  11.856   5.833
  186    HD2  LYS  20           HD2      LYS  20  59.794  10.699   5.130
  187    HD3  LYS  20           HD1      LYS  20  60.679  12.215   5.371
  188    HE2  LYS  20           HE2      LYS  20  60.245  12.209   7.728
  189    HE3  LYS  20           HE1      LYS  20  59.031  10.916   7.573
  190    HZ1  LYS  20           HZ1      LYS  20  61.552  10.464   8.257
  191    HZ2  LYS  20           HZ2      LYS  20  61.707  10.324   6.572
  192    HZ3  LYS  20           HZ3      LYS  20  60.613   9.333   7.412
  193    H    ALA  21           HN       ALA  21  56.297  13.062   1.608
  194    HA   ALA  21           HA       ALA  21  58.335  13.936  -0.170
  195    HB1  ALA  21           HB1      ALA  21  56.245  14.935  -1.572
  196    HB2  ALA  21           HB2      ALA  21  55.392  14.016  -0.328
  197    HB3  ALA  21           HB3      ALA  21  56.530  13.197  -1.423
  198    H    VAL  22           HN       VAL  22  57.861  15.250   2.155
  199    HA   VAL  22           HA       VAL  22  59.081  17.657   1.803
  200    HB   VAL  22           HB       VAL  22  56.904  19.283   2.441
  201   HG11  VAL  22          HG11      VAL  22  57.068  19.990  -0.083
  202   HG12  VAL  22          HG12      VAL  22  58.380  18.791  -0.160
  203   HG13  VAL  22          HG13      VAL  22  58.497  20.161   0.962
  204   HG21  VAL  22          HG21      VAL  22  55.571  17.067   1.496
  205   HG22  VAL  22          HG22      VAL  22  55.789  17.962  -0.020
  206   HG23  VAL  22          HG23      VAL  22  54.953  18.719   1.346
  207    H    ILE  23           HN       ILE  23  56.708  16.011   4.123
  208    HA   ILE  23           HA       ILE  23  57.779  17.852   6.132
  209    HB   ILE  23           HB       ILE  23  56.624  15.030   6.460
  210   HG12  ILE  23          HG12      ILE  23  55.629  17.809   7.241
  211   HG13  ILE  23          HG11      ILE  23  55.108  16.926   5.793
  212   HG21  ILE  23          HG21      ILE  23  57.908  16.931   8.448
  213   HG22  ILE  23          HG22      ILE  23  58.090  15.166   8.308
  214   HG23  ILE  23          HG23      ILE  23  56.596  15.853   8.968
  215   HD11  ILE  23           HD1      ILE  23  53.426  16.076   7.119
  216   HD12  ILE  23           HD2      ILE  23  54.239  16.587   8.615
  217   HD13  ILE  23           HD3      ILE  23  54.680  15.048   7.850
  218    H    ALA  24           HN       ALA  24  59.365  15.935   3.889
  219    HA   ALA  24           HA       ALA  24  61.899  16.262   4.651
  220    HB1  ALA  24           HB1      ALA  24  61.945  15.575   6.888
  221    HB2  ALA  24           HB2      ALA  24  62.522  14.111   6.073
  222    HB3  ALA  24           HB3      ALA  24  60.827  14.223   6.603
  223    H    TRP  25           HN       TRP  25  60.538  15.593   2.414
  224    HA   TRP  25           HA       TRP  25  60.418  13.162   1.264
  225    HB2  TRP  25           HB2      TRP  25  60.264  15.253  -0.020
  226    HB3  TRP  25           HB1      TRP  25  62.018  15.487   0.125
  227    HD1  TRP  25           HD1      TRP  25  59.931  12.360  -0.900
  228    HE1  TRP  25           HE1      TRP  25  60.867  11.433  -3.138
  229    HE3  TRP  25           HE3      TRP  25  63.575  15.853  -1.761
  230    HZ2  TRP  25           HZ2      TRP  25  62.923  12.134  -5.025
  231    HZ3  TRP  25           HZ3      TRP  25  65.013  15.702  -3.787
  232    HH2  TRP  25           HH2      TRP  25  64.691  13.847  -5.419
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  39.638   2.976  -7.601
    2    H2   ALA   1           HT2      ALA   1  39.356   4.572  -7.092
    3    H3   ALA   1           HT3      ALA   1  39.721   3.365  -5.953
    4    HA   ALA   1           HA       ALA   1  41.893   3.401  -6.347
    5    HB1  ALA   1           HB1      ALA   1  41.365   2.708  -8.768
    6    HB2  ALA   1           HB2      ALA   1  42.880   3.601  -8.489
    7    HB3  ALA   1           HB3      ALA   1  41.461   4.444  -9.160
    8    H    GLY   2           HN       GLY   2  43.567   5.130  -7.028
    9    HA2  GLY   2           HA1      GLY   2  43.553   7.402  -5.540
   10    HA3  GLY   2           HA2      GLY   2  44.206   7.332  -7.197
   11    H    LYS   3           HN       LYS   3  41.683   7.071  -8.194
   12    HA   LYS   3           HA       LYS   3  41.284   9.953  -8.250
   13    HB2  LYS   3           HB2      LYS   3  39.801   7.662  -9.568
   14    HB3  LYS   3           HB1      LYS   3  39.124   9.305  -9.630
   15    HG2  LYS   3           HG2      LYS   3  40.485   8.812 -11.651
   16    HG3  LYS   3           HG1      LYS   3  41.194  10.135 -10.696
   17    HD2  LYS   3           HD2      LYS   3  42.886   8.705  -9.781
   18    HD3  LYS   3           HD1      LYS   3  42.061   7.236 -10.356
   19    HE2  LYS   3           HE2      LYS   3  43.189   9.400 -12.185
   20    HE3  LYS   3           HE1      LYS   3  44.040   7.893 -11.770
   21    HZ1  LYS   3           HZ1      LYS   3  41.494   7.147 -12.543
   22    HZ2  LYS   3           HZ2      LYS   3  42.934   6.942 -13.423
   23    HZ3  LYS   3           HZ3      LYS   3  41.970   8.321 -13.672
   24    H    GLU   4           HN       GLU   4  40.659   7.750  -6.185
   25    HA   GLU   4           HA       GLU   4  38.215   8.962  -5.039
   26    HB2  GLU   4           HB2      GLU   4  39.154   6.415  -4.786
   27    HB3  GLU   4           HB1      GLU   4  40.127   7.156  -3.483
   28    HG2  GLU   4           HG2      GLU   4  38.121   6.429  -2.406
   29    HG3  GLU   4           HG1      GLU   4  37.852   8.167  -2.671
   30    H    THR   5           HN       THR   5  41.565   9.262  -5.624
   31    HA   THR   5           HA       THR   5  43.245  10.123  -4.176
   32    HB   THR   5           HB       THR   5  43.359  12.507  -4.415
   33    HG1  THR   5           HG1      THR   5  41.782  13.652  -3.691
   34   HG21  THR   5          HG21      THR   5  41.382  11.426  -6.450
   35   HG22  THR   5          HG22      THR   5  43.136  11.675  -6.642
   36   HG23  THR   5          HG23      THR   5  42.042  13.071  -6.539
   37    H    ILE   6           HN       ILE   6  42.627   8.870  -2.678
   38    HA   ILE   6           HA       ILE   6  43.034   9.663  -0.103
   39    HB   ILE   6           HB       ILE   6  40.581  10.649  -0.312
   40   HG12  ILE   6          HG12      ILE   6  41.257   8.592   1.835
   41   HG13  ILE   6          HG11      ILE   6  41.762  10.298   1.829
   42   HG21  ILE   6          HG21      ILE   6  39.708   7.789   0.194
   43   HG22  ILE   6          HG22      ILE   6  39.866   8.373  -1.474
   44   HG23  ILE   6          HG23      ILE   6  38.745   9.184  -0.356
   45   HD11  ILE   6           HD1      ILE   6  39.285  10.910   1.710
   46   HD12  ILE   6           HD2      ILE   6  39.814  10.164   3.238
   47   HD13  ILE   6           HD3      ILE   6  38.932   9.196   2.033
   48    H    ARG   7           HN       ARG   7  42.553   7.891  -2.788
   49    HA   ARG   7           HA       ARG   7  42.062   5.244  -1.425
   50    HB2  ARG   7           HB2      ARG   7  42.067   6.251  -4.183
   51    HB3  ARG   7           HB1      ARG   7  43.062   4.803  -4.095
   52    HG2  ARG   7           HG2      ARG   7  40.276   4.858  -2.858
   53    HG3  ARG   7           HG1      ARG   7  40.515   4.513  -4.581
   54    HD2  ARG   7           HD2      ARG   7  40.442   2.395  -3.410
   55    HD3  ARG   7           HD1      ARG   7  42.119   2.668  -3.932
   56    HE   ARG   7           HE       ARG   7  42.739   2.815  -1.650
   57   HH11  ARG   7          HH11      ARG   7  39.331   3.082  -2.093
   58   HH12  ARG   7          HH12      ARG   7  38.973   3.040  -0.398
   59   HH21  ARG   7          HH21      ARG   7  42.293   2.774   0.565
   60   HH22  ARG   7          HH22      ARG   7  40.651   2.865   1.106
   61    H    GLN   8           HN       GLN   8  44.177   6.883  -0.485
   62    HA   GLN   8           HA       GLN   8  46.246   6.541   0.355
   63    HB2  GLN   8           HB2      GLN   8  46.629   4.060  -1.376
   64    HB3  GLN   8           HB1      GLN   8  47.506   4.522   0.090
   65    HG2  GLN   8           HG2      GLN   8  44.606   3.601  -0.099
   66    HG3  GLN   8           HG1      GLN   8  45.955   2.793   0.724
   67   HE21  GLN   8          HE21      GLN   8  47.099   4.346   2.453
   68   HE22  GLN   8          HE22      GLN   8  45.971   5.239   3.479
   69    H    TYR   9           HN       TYR   9  45.178   7.543  -2.344
   70    HA   TYR   9           HA       TYR   9  47.868   7.849  -3.681
   71    HB2  TYR   9           HB2      TYR   9  45.823   7.234  -5.062
   72    HB3  TYR   9           HB1      TYR   9  45.162   8.836  -4.655
   73    HD1  TYR   9           HD1      TYR   9  46.312  10.910  -5.416
   74    HD2  TYR   9           HD2      TYR   9  47.669   6.994  -6.620
   75    HE1  TYR   9           HE1      TYR   9  47.676  11.940  -7.229
   76    HE2  TYR   9           HE2      TYR   9  49.032   8.023  -8.434
   77    HH   TYR   9           HH       TYR   9  48.894  10.188  -9.804
   78    H    LEU  10           HN       LEU  10  45.686   9.227  -1.488
   79    HA   LEU  10           HA       LEU  10  46.726  12.020  -1.935
   80    HB2  LEU  10           HB2      LEU  10  44.239  11.414  -1.349
   81    HB3  LEU  10           HB1      LEU  10  44.850  11.121   0.288
   82    HG   LEU  10           HG       LEU  10  45.961  13.522   0.009
   83   HD11  LEU  10          HD11      LEU  10  43.709  13.582  -2.056
   84   HD12  LEU  10          HD12      LEU  10  45.434  13.907  -2.345
   85   HD13  LEU  10          HD13      LEU  10  44.470  15.031  -1.363
   86   HD21  LEU  10          HD21      LEU  10  44.205  12.996   1.653
   87   HD22  LEU  10          HD22      LEU  10  42.958  13.126   0.389
   88   HD23  LEU  10          HD23      LEU  10  43.873  14.569   0.889
   89    H    LYS  11           HN       LYS  11  47.519   9.168  -0.673
   90    HA   LYS  11           HA       LYS  11  49.401  10.312   1.369
   91    HB2  LYS  11           HB2      LYS  11  47.786   7.750   1.675
   92    HB3  LYS  11           HB1      LYS  11  48.984   8.397   2.816
   93    HG2  LYS  11           HG2      LYS  11  47.595  10.335   3.281
   94    HG3  LYS  11           HG1      LYS  11  46.448   9.875   2.001
   95    HD2  LYS  11           HD2      LYS  11  46.012   7.726   3.250
   96    HD3  LYS  11           HD1      LYS  11  47.018   8.354   4.578
   97    HE2  LYS  11           HE2      LYS  11  44.416   9.515   3.507
   98    HE3  LYS  11           HE1      LYS  11  44.734   8.879   5.138
   99    HZ1  LYS  11           HZ1      LYS  11  45.434  11.453   3.972
  100    HZ2  LYS  11           HZ2      LYS  11  46.632  10.739   4.944
  101    HZ3  LYS  11           HZ3      LYS  11  45.087  11.045   5.582
  102    H    ASN  12           HN       ASN  12  48.759   8.640  -1.467
  103    HA   ASN  12           HA       ASN  12  50.166   7.218  -2.662
  104    HB2  ASN  12           HB2      ASN  12  52.247   8.636  -1.023
  105    HB3  ASN  12           HB1      ASN  12  52.604   7.595  -2.424
  106   HD21  ASN  12          HD21      ASN  12  53.224   9.059  -4.036
  107   HD22  ASN  12          HD22      ASN  12  52.231  10.433  -4.536
  108    H    GLU  13           HN       GLU  13  49.305   6.655   0.345
  109    HA   GLU  13           HA       GLU  13  49.347   4.727   1.662
  110    HB2  GLU  13           HB2      GLU  13  49.796   3.600  -0.696
  111    HB3  GLU  13           HB1      GLU  13  51.458   3.434  -0.091
  112    HG2  GLU  13           HG2      GLU  13  50.629   2.237   1.907
  113    HG3  GLU  13           HG1      GLU  13  48.955   2.411   1.326
  114    H    ILE  14           HN       ILE  14  51.652   6.827   0.953
  115    HA   ILE  14           HA       ILE  14  53.508   6.198   3.198
  116    HB   ILE  14           HB       ILE  14  54.954   7.538   1.167
  117   HG12  ILE  14          HG12      ILE  14  53.557   5.050   0.175
  118   HG13  ILE  14          HG11      ILE  14  53.379   6.706  -0.437
  119   HG21  ILE  14          HG21      ILE  14  56.532   5.775   1.385
  120   HG22  ILE  14          HG22      ILE  14  55.278   4.595   1.836
  121   HG23  ILE  14          HG23      ILE  14  55.768   5.855   2.982
  122   HD11  ILE  14           HD1      ILE  14  54.910   5.730  -1.955
  123   HD12  ILE  14           HD2      ILE  14  55.773   4.870  -0.660
  124   HD13  ILE  14           HD3      ILE  14  55.952   6.634  -0.831
  125    H    LYS  15           HN       LYS  15  51.489   8.613   1.669
  126    HA   LYS  15           HA       LYS  15  51.464  10.835   2.328
  127    HB2  LYS  15           HB2      LYS  15  52.695   9.764   4.889
  128    HB3  LYS  15           HB1      LYS  15  52.079  11.406   4.675
  129    HG2  LYS  15           HG2      LYS  15  49.849  10.391   4.080
  130    HG3  LYS  15           HG1      LYS  15  50.520   8.811   4.556
  131    HD2  LYS  15           HD2      LYS  15  51.093   9.814   6.805
  132    HD3  LYS  15           HD1      LYS  15  50.204  11.277   6.318
  133    HE2  LYS  15           HE2      LYS  15  48.162   9.911   5.961
  134    HE3  LYS  15           HE1      LYS  15  49.052   8.457   6.475
  135    HZ1  LYS  15           HZ1      LYS  15  48.458   8.982   8.535
  136    HZ2  LYS  15           HZ2      LYS  15  47.850  10.498   8.063
  137    HZ3  LYS  15           HZ3      LYS  15  49.495  10.322   8.449
  138    H    LYS  16           HN       LYS  16  53.180   9.292   0.768
  139    HA   LYS  16           HA       LYS  16  55.282   9.351  -0.224
  140    HB2  LYS  16           HB2      LYS  16  55.045  12.215   0.765
  141    HB3  LYS  16           HB1      LYS  16  56.286  11.623  -0.366
  142    HG2  LYS  16           HG2      LYS  16  54.589  12.502  -1.821
  143    HG3  LYS  16           HG1      LYS  16  54.298  10.758  -1.826
  144    HD2  LYS  16           HD2      LYS  16  52.367  10.936  -0.478
  145    HD3  LYS  16           HD1      LYS  16  52.851  12.505   0.200
  146    HE2  LYS  16           HE2      LYS  16  50.948  12.496  -1.558
  147    HE3  LYS  16           HE1      LYS  16  52.262  13.675  -1.780
  148    HZ1  LYS  16           HZ1      LYS  16  51.439  11.616  -3.513
  149    HZ2  LYS  16           HZ2      LYS  16  53.031  11.291  -3.018
  150    HZ3  LYS  16           HZ3      LYS  16  52.652  12.776  -3.750
  151    H    LYS  17           HN       LYS  17  54.784   8.528   2.525
  152    HA   LYS  17           HA       LYS  17  56.114   7.746   4.221
  153    HB2  LYS  17           HB2      LYS  17  58.113   8.161   2.587
  154    HB3  LYS  17           HB1      LYS  17  58.379   9.632   3.532
  155    HG2  LYS  17           HG2      LYS  17  58.589   8.309   5.599
  156    HG3  LYS  17           HG1      LYS  17  58.228   6.818   4.696
  157    HD2  LYS  17           HD2      LYS  17  60.252   7.085   3.354
  158    HD3  LYS  17           HD1      LYS  17  60.589   8.658   4.117
  159    HE2  LYS  17           HE2      LYS  17  60.712   7.485   6.343
  160    HE3  LYS  17           HE1      LYS  17  60.544   5.934   5.486
  161    HZ1  LYS  17           HZ1      LYS  17  62.644   7.894   4.756
  162    HZ2  LYS  17           HZ2      LYS  17  62.576   6.232   4.410
  163    HZ3  LYS  17           HZ3      LYS  17  62.886   6.761   5.994
  164    H    GLY  18           HN       GLY  18  54.221  10.256   4.085
  165    HA2  GLY  18           HA1      GLY  18  53.682  11.216   6.406
  166    HA3  GLY  18           HA2      GLY  18  55.409  11.583   6.570
  167    H    ARG  19           HN       ARG  19  53.407  12.052   3.686
  168    HA   ARG  19           HA       ARG  19  53.366  13.961   2.375
  169    HB2  ARG  19           HB2      ARG  19  53.063  15.053   5.199
  170    HB3  ARG  19           HB1      ARG  19  53.387  16.194   3.872
  171    HG2  ARG  19           HG2      ARG  19  51.400  15.371   2.659
  172    HG3  ARG  19           HG1      ARG  19  51.093  14.174   3.942
  173    HD2  ARG  19           HD2      ARG  19  50.863  16.041   5.587
  174    HD3  ARG  19           HD1      ARG  19  51.077  17.208   4.261
  175    HE   ARG  19           HE       ARG  19  48.802  16.865   3.781
  176   HH11  ARG  19          HH11      ARG  19  48.529  14.416   2.551
  177   HH12  ARG  19          HH12      ARG  19  47.786  13.353   3.700
  178   HH21  ARG  19          HH21      ARG  19  48.553  15.341   6.434
  179   HH22  ARG  19          HH22      ARG  19  47.801  13.876   5.898
  180    H    LYS  20           HN       LYS  20  55.734  12.470   3.685
  181    HA   LYS  20           HA       LYS  20  57.655  14.497   4.356
  182    HB2  LYS  20           HB2      LYS  20  58.360  11.954   3.045
  183    HB3  LYS  20           HB1      LYS  20  59.448  13.287   3.585
  184    HG2  LYS  20           HG2      LYS  20  57.524  12.202   5.663
  185    HG3  LYS  20           HG1      LYS  20  58.834  11.101   5.195
  186    HD2  LYS  20           HD2      LYS  20  60.485  12.911   5.660
  187    HD3  LYS  20           HD1      LYS  20  59.145  13.915   6.251
  188    HE2  LYS  20           HE2      LYS  20  58.586  12.150   7.924
  189    HE3  LYS  20           HE1      LYS  20  59.996  11.217   7.368
  190    HZ1  LYS  20           HZ1      LYS  20  61.454  12.907   8.088
  191    HZ2  LYS  20           HZ2      LYS  20  60.359  12.675   9.367
  192    HZ3  LYS  20           HZ3      LYS  20  60.197  14.017   8.338
  193    H    ALA  21           HN       ALA  21  56.389  13.174   1.504
  194    HA   ALA  21           HA       ALA  21  58.470  14.055  -0.279
  195    HB1  ALA  21           HB1      ALA  21  56.339  15.128  -1.602
  196    HB2  ALA  21           HB2      ALA  21  55.539  14.093  -0.425
  197    HB3  ALA  21           HB3      ALA  21  56.692  13.396  -1.589
  198    H    VAL  22           HN       VAL  22  58.013  15.283   2.095
  199    HA   VAL  22           HA       VAL  22  59.252  17.694   1.833
  200    HB   VAL  22           HB       VAL  22  57.491  18.754   0.487
  201   HG11  VAL  22          HG11      VAL  22  55.225  19.103   1.484
  202   HG12  VAL  22          HG12      VAL  22  55.702  18.077   2.858
  203   HG13  VAL  22          HG13      VAL  22  55.600  17.384   1.222
  204   HG21  VAL  22          HG21      VAL  22  57.255  19.935   3.280
  205   HG22  VAL  22          HG22      VAL  22  57.206  20.780   1.715
  206   HG23  VAL  22          HG23      VAL  22  58.735  20.086   2.303
  207    H    ILE  23           HN       ILE  23  56.868  15.999   4.045
  208    HA   ILE  23           HA       ILE  23  57.672  17.878   6.116
  209    HB   ILE  23           HB       ILE  23  57.028  14.901   6.448
  210   HG12  ILE  23          HG12      ILE  23  55.149  16.114   5.450
  211   HG13  ILE  23          HG11      ILE  23  54.779  15.715   7.138
  212   HG21  ILE  23          HG21      ILE  23  57.653  17.130   8.383
  213   HG22  ILE  23          HG22      ILE  23  58.061  15.404   8.465
  214   HG23  ILE  23          HG23      ILE  23  56.409  15.941   8.841
  215   HD11  ILE  23           HD1      ILE  23  55.407  18.410   5.897
  216   HD12  ILE  23           HD2      ILE  23  55.724  18.144   7.625
  217   HD13  ILE  23           HD3      ILE  23  54.080  17.957   6.986
  218    H    ALA  24           HN       ALA  24  59.499  16.005   3.952
  219    HA   ALA  24           HA       ALA  24  61.980  16.601   4.573
  220    HB1  ALA  24           HB1      ALA  24  62.078  16.332   6.911
  221    HB2  ALA  24           HB2      ALA  24  62.904  14.889   6.295
  222    HB3  ALA  24           HB3      ALA  24  61.230  14.773   6.871
  223    H    TRP  25           HN       TRP  25  60.721  15.468   2.491
  224    HA   TRP  25           HA       TRP  25  60.759  13.682   0.972
  225    HB2  TRP  25           HB2      TRP  25  63.664  13.854   1.852
  226    HB3  TRP  25           HB1      TRP  25  63.090  13.056   0.369
  227    HD1  TRP  25           HD1      TRP  25  63.990  16.397   1.781
  228    HE1  TRP  25           HE1      TRP  25  63.584  18.281   0.034
  229    HE3  TRP  25           HE3      TRP  25  61.348  13.720  -1.692
  230    HZ2  TRP  25           HZ2      TRP  25  62.280  18.554  -2.519
  231    HZ3  TRP  25           HZ3      TRP  25  60.532  14.812  -3.776
  232    HH2  TRP  25           HH2      TRP  25  60.996  17.224  -4.192
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  42.068   4.171  -9.668
    2    H2   ALA   1           HT2      ALA   1  41.300   5.165  -8.524
    3    H3   ALA   1           HT3      ALA   1  42.647   4.232  -8.077
    4    HA   ALA   1           HA       ALA   1  44.106   5.501  -9.348
    5    HB1  ALA   1           HB1      ALA   1  43.416   7.157 -10.907
    6    HB2  ALA   1           HB2      ALA   1  41.735   7.122 -10.319
    7    HB3  ALA   1           HB3      ALA   1  42.393   5.738 -11.228
    8    H    GLY   2           HN       GLY   2  45.001   7.489  -8.653
    9    HA2  GLY   2           HA1      GLY   2  43.916   8.385  -6.060
   10    HA3  GLY   2           HA2      GLY   2  45.418   8.925  -6.852
   11    H    LYS   3           HN       LYS   3  42.140   8.790  -8.060
   12    HA   LYS   3           HA       LYS   3  42.243  11.741  -8.310
   13    HB2  LYS   3           HB2      LYS   3  40.284   9.707  -9.467
   14    HB3  LYS   3           HB1      LYS   3  40.090  11.469  -9.632
   15    HG2  LYS   3           HG2      LYS   3  42.461  11.471 -10.662
   16    HG3  LYS   3           HG1      LYS   3  42.289   9.703 -10.775
   17    HD2  LYS   3           HD2      LYS   3  40.361  11.737 -11.984
   18    HD3  LYS   3           HD1      LYS   3  41.609  10.846 -12.886
   19    HE2  LYS   3           HE2      LYS   3  40.487   8.697 -11.962
   20    HE3  LYS   3           HE1      LYS   3  39.122   9.753 -11.523
   21    HZ1  LYS   3           HZ1      LYS   3  39.835  10.410 -14.122
   22    HZ2  LYS   3           HZ2      LYS   3  38.440   9.586 -13.609
   23    HZ3  LYS   3           HZ3      LYS   3  39.827   8.715 -14.062
   24    H    GLU   4           HN       GLU   4  41.181   9.170  -6.534
   25    HA   GLU   4           HA       GLU   4  39.107  10.672  -5.087
   26    HB2  GLU   4           HB2      GLU   4  40.844   8.447  -3.886
   27    HB3  GLU   4           HB1      GLU   4  39.124   8.838  -3.575
   28    HG2  GLU   4           HG2      GLU   4  40.195   7.653  -6.168
   29    HG3  GLU   4           HG1      GLU   4  39.324   6.760  -4.902
   30    H    THR   5           HN       THR   5  42.451  10.653  -5.824
   31    HA   THR   5           HA       THR   5  44.307  11.087  -4.364
   32    HB   THR   5           HB       THR   5  44.118  13.098  -5.744
   33    HG1  THR   5           HG1      THR   5  44.241  13.984  -3.048
   34   HG21  THR   5          HG21      THR   5  41.802  13.648  -5.584
   35   HG22  THR   5          HG22      THR   5  42.660  15.032  -4.870
   36   HG23  THR   5          HG23      THR   5  41.882  13.827  -3.817
   37    H    ILE   6           HN       ILE   6  43.323   9.820  -3.029
   38    HA   ILE   6           HA       ILE   6  43.789  10.330  -0.365
   39    HB   ILE   6           HB       ILE   6  41.445  11.642  -0.749
   40   HG12  ILE   6          HG12      ILE   6  41.909   9.692   1.553
   41   HG13  ILE   6          HG11      ILE   6  42.594  11.329   1.427
   42   HG21  ILE   6          HG21      ILE   6  40.362   8.882  -0.087
   43   HG22  ILE   6          HG22      ILE   6  40.483   9.433  -1.768
   44   HG23  ILE   6          HG23      ILE   6  39.480  10.335  -0.614
   45   HD11  ILE   6           HD1      ILE   6  39.675  10.536   1.737
   46   HD12  ILE   6           HD2      ILE   6  40.166  12.164   1.210
   47   HD13  ILE   6           HD3      ILE   6  40.658  11.558   2.810
   48    H    ARG   7           HN       ARG   7  43.330   8.834  -3.207
   49    HA   ARG   7           HA       ARG   7  42.357   6.189  -2.151
   50    HB2  ARG   7           HB2      ARG   7  42.332   7.005  -4.685
   51    HB3  ARG   7           HB1      ARG   7  44.021   6.477  -4.692
   52    HG2  ARG   7           HG2      ARG   7  43.273   4.234  -3.833
   53    HG3  ARG   7           HG1      ARG   7  41.588   4.778  -3.983
   54    HD2  ARG   7           HD2      ARG   7  41.765   4.987  -6.367
   55    HD3  ARG   7           HD1      ARG   7  43.538   4.832  -6.319
   56    HE   ARG   7           HE       ARG   7  43.293   2.463  -5.970
   57   HH11  ARG   7          HH11      ARG   7  40.474   3.481  -4.621
   58   HH12  ARG   7          HH12      ARG   7  39.435   2.356  -5.429
   59   HH21  ARG   7          HH21      ARG   7  41.876   1.288  -7.647
   60   HH22  ARG   7          HH22      ARG   7  40.228   1.115  -7.142
   61    H    GLN   8           HN       GLN   8  44.413   7.611  -0.768
   62    HA   GLN   8           HA       GLN   8  46.336   7.192   0.333
   63    HB2  GLN   8           HB2      GLN   8  46.622   4.539  -1.151
   64    HB3  GLN   8           HB1      GLN   8  47.327   5.002   0.409
   65    HG2  GLN   8           HG2      GLN   8  44.956   5.224   1.308
   66    HG3  GLN   8           HG1      GLN   8  44.393   4.473  -0.202
   67   HE21  GLN   8          HE21      GLN   8  45.264   2.246  -0.716
   68   HE22  GLN   8          HE22      GLN   8  45.716   1.201   0.635
   69    H    TYR   9           HN       TYR   9  45.760   8.221  -2.331
   70    HA   TYR   9           HA       TYR   9  48.514   8.077  -3.537
   71    HB2  TYR   9           HB2      TYR   9  46.586   7.753  -5.076
   72    HB3  TYR   9           HB1      TYR   9  45.947   9.340  -4.582
   73    HD1  TYR   9           HD1      TYR   9  46.885  11.389  -5.441
   74    HD2  TYR   9           HD2      TYR   9  48.811   7.611  -6.246
   75    HE1  TYR   9           HE1      TYR   9  48.365  12.499  -7.109
   76    HE2  TYR   9           HE2      TYR   9  50.291   8.721  -7.913
   77    HH   TYR   9           HH       TYR   9  49.877  12.066  -8.863
   78    H    LEU  10           HN       LEU  10  46.298   9.885  -1.589
   79    HA   LEU  10           HA       LEU  10  47.764  12.468  -2.027
   80    HB2  LEU  10           HB2      LEU  10  45.365  12.553  -1.460
   81    HB3  LEU  10           HB1      LEU  10  45.663  11.624   0.021
   82    HG   LEU  10           HG       LEU  10  46.916  13.437   1.008
   83   HD11  LEU  10          HD11      LEU  10  46.788  14.621  -1.790
   84   HD12  LEU  10          HD12      LEU  10  48.210  14.381  -0.748
   85   HD13  LEU  10          HD13      LEU  10  47.041  15.663  -0.370
   86   HD21  LEU  10          HD21      LEU  10  44.405  13.556   1.017
   87   HD22  LEU  10          HD22      LEU  10  44.491  14.620  -0.407
   88   HD23  LEU  10          HD23      LEU  10  45.188  15.148   1.144
   89    H    LYS  11           HN       LYS  11  48.161   9.569  -0.612
   90    HA   LYS  11           HA       LYS  11  50.029  10.509   1.558
   91    HB2  LYS  11           HB2      LYS  11  48.607   7.853   1.231
   92    HB3  LYS  11           HB1      LYS  11  49.554   8.395   2.632
   93    HG2  LYS  11           HG2      LYS  11  47.907  10.233   3.007
   94    HG3  LYS  11           HG1      LYS  11  46.961   9.646   1.620
   95    HD2  LYS  11           HD2      LYS  11  46.732   7.426   2.766
   96    HD3  LYS  11           HD1      LYS  11  47.560   8.111   4.186
   97    HE2  LYS  11           HE2      LYS  11  44.996   9.224   2.962
   98    HE3  LYS  11           HE1      LYS  11  45.066   8.182   4.403
   99    HZ1  LYS  11           HZ1      LYS  11  45.003  10.682   4.771
  100    HZ2  LYS  11           HZ2      LYS  11  46.610  10.707   4.220
  101    HZ3  LYS  11           HZ3      LYS  11  46.198   9.816   5.606
  102    H    ASN  12           HN       ASN  12  49.303   7.972  -0.691
  103    HA   ASN  12           HA       ASN  12  50.724   7.086  -2.333
  104    HB2  ASN  12           HB2      ASN  12  52.464   8.932  -1.933
  105    HB3  ASN  12           HB1      ASN  12  53.171   7.842  -0.731
  106   HD21  ASN  12          HD21      ASN  12  53.839   5.611  -1.526
  107   HD22  ASN  12          HD22      ASN  12  54.354   5.466  -3.210
  108    H    GLU  13           HN       GLU  13  49.614   6.608   0.427
  109    HA   GLU  13           HA       GLU  13  49.255   4.689   1.719
  110    HB2  GLU  13           HB2      GLU  13  49.925   3.505  -0.547
  111    HB3  GLU  13           HB1      GLU  13  51.471   3.205   0.273
  112    HG2  GLU  13           HG2      GLU  13  50.196   2.170   2.185
  113    HG3  GLU  13           HG1      GLU  13  48.704   2.347   1.230
  114    H    ILE  14           HN       ILE  14  51.588   6.709   1.571
  115    HA   ILE  14           HA       ILE  14  53.017   5.960   4.043
  116    HB   ILE  14           HB       ILE  14  55.036   6.825   2.284
  117   HG12  ILE  14          HG12      ILE  14  53.601   4.408   1.173
  118   HG13  ILE  14          HG11      ILE  14  53.668   6.016   0.444
  119   HG21  ILE  14          HG21      ILE  14  55.187   5.260   4.340
  120   HG22  ILE  14          HG22      ILE  14  56.226   4.884   2.956
  121   HG23  ILE  14          HG23      ILE  14  54.728   3.960   3.222
  122   HD11  ILE  14           HD1      ILE  14  55.903   4.017   0.803
  123   HD12  ILE  14           HD2      ILE  14  56.265   5.748   0.592
  124   HD13  ILE  14           HD3      ILE  14  55.392   4.860  -0.677
  125    H    LYS  15           HN       LYS  15  51.737   8.431   1.891
  126    HA   LYS  15           HA       LYS  15  52.058  10.715   2.425
  127    HB2  LYS  15           HB2      LYS  15  52.729  10.095   5.267
  128    HB3  LYS  15           HB1      LYS  15  51.791  11.439   4.630
  129    HG2  LYS  15           HG2      LYS  15  49.895  10.043   4.238
  130    HG3  LYS  15           HG1      LYS  15  50.808   8.567   4.619
  131    HD2  LYS  15           HD2      LYS  15  51.174   9.422   6.934
  132    HD3  LYS  15           HD1      LYS  15  50.181  10.847   6.541
  133    HE2  LYS  15           HE2      LYS  15  48.851   9.103   7.709
  134    HE3  LYS  15           HE1      LYS  15  48.250   9.388   6.059
  135    HZ1  LYS  15           HZ1      LYS  15  48.930   7.364   5.371
  136    HZ2  LYS  15           HZ2      LYS  15  48.794   6.972   7.019
  137    HZ3  LYS  15           HZ3      LYS  15  50.312   7.348   6.355
  138    H    LYS  16           HN       LYS  16  53.713   8.703   1.351
  139    HA   LYS  16           HA       LYS  16  55.991   8.397   0.829
  140    HB2  LYS  16           HB2      LYS  16  55.553  10.861   0.243
  141    HB3  LYS  16           HB1      LYS  16  56.289  11.219   1.804
  142    HG2  LYS  16           HG2      LYS  16  58.200  11.347   0.426
  143    HG3  LYS  16           HG1      LYS  16  58.262   9.632   0.877
  144    HD2  LYS  16           HD2      LYS  16  56.889   9.144  -1.224
  145    HD3  LYS  16           HD1      LYS  16  57.162  10.837  -1.696
  146    HE2  LYS  16           HE2      LYS  16  59.382   8.845  -1.058
  147    HE3  LYS  16           HE1      LYS  16  58.834   9.255  -2.700
  148    HZ1  LYS  16           HZ1      LYS  16  60.759  10.566  -1.316
  149    HZ2  LYS  16           HZ2      LYS  16  59.401  11.554  -1.059
  150    HZ3  LYS  16           HZ3      LYS  16  59.907  11.195  -2.641
  151    H    LYS  17           HN       LYS  17  54.703   8.056   3.499
  152    HA   LYS  17           HA       LYS  17  55.522   7.206   5.506
  153    HB2  LYS  17           HB2      LYS  17  57.869   7.090   4.270
  154    HB3  LYS  17           HB1      LYS  17  58.234   8.531   5.249
  155    HG2  LYS  17           HG2      LYS  17  57.401   7.167   7.277
  156    HG3  LYS  17           HG1      LYS  17  57.481   5.743   6.215
  157    HD2  LYS  17           HD2      LYS  17  59.784   7.619   6.916
  158    HD3  LYS  17           HD1      LYS  17  59.578   5.941   7.470
  159    HE2  LYS  17           HE2      LYS  17  60.196   6.947   4.673
  160    HE3  LYS  17           HE1      LYS  17  61.092   5.762   5.651
  161    HZ1  LYS  17           HZ1      LYS  17  58.807   4.505   5.526
  162    HZ2  LYS  17           HZ2      LYS  17  59.946   4.379   4.273
  163    HZ3  LYS  17           HZ3      LYS  17  58.614   5.422   4.112
  164    H    GLY  18           HN       GLY  18  54.279  10.055   4.815
  165    HA2  GLY  18           HA1      GLY  18  53.966  11.022   7.403
  166    HA3  GLY  18           HA2      GLY  18  55.627  11.581   7.080
  167    H    ARG  19           HN       ARG  19  53.939  11.408   4.290
  168    HA   ARG  19           HA       ARG  19  53.041  13.060   2.950
  169    HB2  ARG  19           HB2      ARG  19  52.080  14.038   5.344
  170    HB3  ARG  19           HB1      ARG  19  53.350  15.247   5.028
  171    HG2  ARG  19           HG2      ARG  19  52.369  15.678   2.785
  172    HG3  ARG  19           HG1      ARG  19  51.091  14.483   3.116
  173    HD2  ARG  19           HD2      ARG  19  50.234  15.805   4.957
  174    HD3  ARG  19           HD1      ARG  19  51.619  16.919   4.868
  175    HE   ARG  19           HE       ARG  19  50.545  18.012   3.068
  176   HH11  ARG  19          HH11      ARG  19  48.878  18.269   1.564
  177   HH12  ARG  19          HH12      ARG  19  47.711  17.005   1.359
  178   HH21  ARG  19          HH21      ARG  19  49.171  14.914   3.709
  179   HH22  ARG  19          HH22      ARG  19  47.878  15.105   2.572
  180    H    LYS  20           HN       LYS  20  55.702  12.171   4.359
  181    HA   LYS  20           HA       LYS  20  57.571  14.245   4.349
  182    HB2  LYS  20           HB2      LYS  20  58.077  11.616   3.092
  183    HB3  LYS  20           HB1      LYS  20  59.194  12.987   3.299
  184    HG2  LYS  20           HG2      LYS  20  58.757  12.840   5.811
  185    HG3  LYS  20           HG1      LYS  20  57.848  11.341   5.517
  186    HD2  LYS  20           HD2      LYS  20  59.846  10.287   4.546
  187    HD3  LYS  20           HD1      LYS  20  60.766  11.797   4.755
  188    HE2  LYS  20           HE2      LYS  20  59.453  10.277   7.048
  189    HE3  LYS  20           HE1      LYS  20  61.160  10.090   6.581
  190    HZ1  LYS  20           HZ1      LYS  20  61.411  12.516   6.895
  191    HZ2  LYS  20           HZ2      LYS  20  60.994  11.702   8.328
  192    HZ3  LYS  20           HZ3      LYS  20  59.820  12.591   7.481
  193    H    ALA  21           HN       ALA  21  55.803  12.693   1.905
  194    HA   ALA  21           HA       ALA  21  57.325  13.365  -0.385
  195    HB1  ALA  21           HB1      ALA  21  54.694  14.248  -0.948
  196    HB2  ALA  21           HB2      ALA  21  54.543  13.004   0.297
  197    HB3  ALA  21           HB3      ALA  21  55.338  12.621  -1.247
  198    H    VAL  22           HN       VAL  22  57.429  14.802   1.908
  199    HA   VAL  22           HA       VAL  22  58.482  17.203   1.257
  200    HB   VAL  22           HB       VAL  22  56.540  18.109   0.047
  201   HG11  VAL  22          HG11      VAL  22  54.827  16.784   1.350
  202   HG12  VAL  22          HG12      VAL  22  54.403  18.497   1.138
  203   HG13  VAL  22          HG13      VAL  22  55.043  17.925   2.695
  204   HG21  VAL  22          HG21      VAL  22  56.416  20.259   1.083
  205   HG22  VAL  22          HG22      VAL  22  58.022  19.613   1.494
  206   HG23  VAL  22          HG23      VAL  22  56.716  19.584   2.702
  207    H    ILE  23           HN       ILE  23  56.460  15.608   3.810
  208    HA   ILE  23           HA       ILE  23  57.413  17.652   5.683
  209    HB   ILE  23           HB       ILE  23  56.089  14.951   5.893
  210   HG12  ILE  23          HG12      ILE  23  54.633  16.071   7.418
  211   HG13  ILE  23          HG11      ILE  23  55.798  17.384   7.694
  212   HG21  ILE  23          HG21      ILE  23  56.597  14.770   8.333
  213   HG22  ILE  23          HG22      ILE  23  57.805  16.061   8.157
  214   HG23  ILE  23          HG23      ILE  23  58.036  14.504   7.325
  215   HD11  ILE  23           HD1      ILE  23  54.888  16.988   4.849
  216   HD12  ILE  23           HD2      ILE  23  55.220  18.493   5.732
  217   HD13  ILE  23           HD3      ILE  23  53.685  17.635   5.986
  218    H    ALA  24           HN       ALA  24  59.012  15.714   3.466
  219    HA   ALA  24           HA       ALA  24  61.516  16.288   4.163
  220    HB1  ALA  24           HB1      ALA  24  61.764  15.575   6.361
  221    HB2  ALA  24           HB2      ALA  24  62.318  14.109   5.534
  222    HB3  ALA  24           HB3      ALA  24  60.651  14.210   6.141
  223    H    TRP  25           HN       TRP  25  60.001  15.417   2.091
  224    HA   TRP  25           HA       TRP  25  61.866  14.420   0.361
  225    HB2  TRP  25           HB2      TRP  25  60.885  12.151   2.043
  226    HB3  TRP  25           HB1      TRP  25  60.823  11.830   0.307
  227    HD1  TRP  25           HD1      TRP  25  63.038  11.249   3.016
  228    HE1  TRP  25           HE1      TRP  25  65.537  11.127   2.313
  229    HE3  TRP  25           HE3      TRP  25  62.684  13.413  -1.615
  230    HZ2  TRP  25           HZ2      TRP  25  67.136  11.876   0.041
  231    HZ3  TRP  25           HZ3      TRP  25  64.711  13.696  -3.031
  232    HH2  TRP  25           HH2      TRP  25  66.934  12.931  -2.210
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  45.888   3.071  -7.366
    2    H2   ALA   1           HT2      ALA   1  44.549   2.096  -7.748
    3    H3   ALA   1           HT3      ALA   1  44.576   2.980  -6.297
    4    HA   ALA   1           HA       ALA   1  44.708   4.262  -8.938
    5    HB1  ALA   1           HB1      ALA   1  42.652   3.001  -8.922
    6    HB2  ALA   1           HB2      ALA   1  42.258   4.706  -8.598
    7    HB3  ALA   1           HB3      ALA   1  42.285   3.529  -7.264
    8    H    GLY   2           HN       GLY   2  43.123   6.370  -8.411
    9    HA2  GLY   2           HA1      GLY   2  43.506   7.557  -5.812
   10    HA3  GLY   2           HA2      GLY   2  44.761   8.128  -6.951
   11    H    LYS   3           HN       LYS   3  41.471   7.170  -7.550
   12    HA   LYS   3           HA       LYS   3  40.873   9.994  -8.284
   13    HB2  LYS   3           HB2      LYS   3  39.111   7.601  -8.937
   14    HB3  LYS   3           HB1      LYS   3  39.078   9.215  -9.686
   15    HG2  LYS   3           HG2      LYS   3  41.386   7.230  -9.918
   16    HG3  LYS   3           HG1      LYS   3  40.142   7.499 -11.162
   17    HD2  LYS   3           HD2      LYS   3  40.821   9.978 -11.110
   18    HD3  LYS   3           HD1      LYS   3  42.230   9.469 -10.148
   19    HE2  LYS   3           HE2      LYS   3  42.877   9.555 -12.500
   20    HE3  LYS   3           HE1      LYS   3  42.832   7.853 -11.979
   21    HZ1  LYS   3           HZ1      LYS   3  41.687   8.511 -14.170
   22    HZ2  LYS   3           HZ2      LYS   3  40.449   9.125 -13.181
   23    HZ3  LYS   3           HZ3      LYS   3  40.862   7.479 -13.107
   24    H    GLU   4           HN       GLU   4  40.522   7.444  -6.219
   25    HA   GLU   4           HA       GLU   4  38.225   8.575  -4.773
   26    HB2  GLU   4           HB2      GLU   4  39.721   6.130  -4.704
   27    HB3  GLU   4           HB1      GLU   4  40.176   6.954  -3.192
   28    HG2  GLU   4           HG2      GLU   4  38.217   5.550  -2.778
   29    HG3  GLU   4           HG1      GLU   4  37.715   7.257  -2.699
   30    H    THR   5           HN       THR   5  41.416   9.279  -5.718
   31    HA   THR   5           HA       THR   5  43.203  10.200  -4.374
   32    HB   THR   5           HB       THR   5  42.521  11.965  -5.915
   33    HG1  THR   5           HG1      THR   5  43.210  12.547  -3.330
   34   HG21  THR   5          HG21      THR   5  40.056  11.769  -5.257
   35   HG22  THR   5          HG22      THR   5  40.646  13.419  -5.561
   36   HG23  THR   5          HG23      THR   5  40.428  12.845  -3.890
   37    H    ILE   6           HN       ILE   6  42.657   8.915  -2.840
   38    HA   ILE   6           HA       ILE   6  43.152   9.693  -0.277
   39    HB   ILE   6           HB       ILE   6  40.529  10.547  -0.598
   40   HG12  ILE   6          HG12      ILE   6  41.608   9.157   1.890
   41   HG13  ILE   6          HG11      ILE   6  41.950  10.838   1.419
   42   HG21  ILE   6          HG21      ILE   6  39.868   8.117  -1.154
   43   HG22  ILE   6          HG22      ILE   6  38.917   8.945   0.095
   44   HG23  ILE   6          HG23      ILE   6  40.165   7.766   0.563
   45   HD11  ILE   6           HD1      ILE   6  40.162  11.046   2.959
   46   HD12  ILE   6           HD2      ILE   6  39.320   9.617   2.318
   47   HD13  ILE   6           HD3      ILE   6  39.350  11.130   1.378
   48    H    ARG   7           HN       ARG   7  42.647   7.956  -2.953
   49    HA   ARG   7           HA       ARG   7  42.120   5.287  -1.735
   50    HB2  ARG   7           HB2      ARG   7  42.060   6.370  -4.355
   51    HB3  ARG   7           HB1      ARG   7  43.458   5.292  -4.398
   52    HG2  ARG   7           HG2      ARG   7  40.705   4.438  -3.385
   53    HG3  ARG   7           HG1      ARG   7  41.275   4.193  -5.051
   54    HD2  ARG   7           HD2      ARG   7  42.824   3.204  -2.626
   55    HD3  ARG   7           HD1      ARG   7  41.607   2.213  -3.464
   56    HE   ARG   7           HE       ARG   7  43.591   3.314  -5.295
   57   HH11  ARG   7          HH11      ARG   7  44.588   1.638  -2.744
   58   HH12  ARG   7          HH12      ARG   7  44.923   0.140  -3.546
   59   HH21  ARG   7          HH21      ARG   7  43.280   1.031  -6.467
   60   HH22  ARG   7          HH22      ARG   7  44.183  -0.204  -5.654
   61    H    GLN   8           HN       GLN   8  44.211   6.996  -0.669
   62    HA   GLN   8           HA       GLN   8  46.224   6.714   0.288
   63    HB2  GLN   8           HB2      GLN   8  46.613   4.104  -1.252
   64    HB3  GLN   8           HB1      GLN   8  47.517   4.669   0.163
   65    HG2  GLN   8           HG2      GLN   8  44.519   4.124   0.204
   66    HG3  GLN   8           HG1      GLN   8  45.751   2.939   0.694
   67   HE21  GLN   8          HE21      GLN   8  47.020   3.369   2.644
   68   HE22  GLN   8          HE22      GLN   8  46.490   4.592   3.803
   69    H    TYR   9           HN       TYR   9  45.317   7.689  -2.331
   70    HA   TYR   9           HA       TYR   9  47.983   7.890  -3.708
   71    HB2  TYR   9           HB2      TYR   9  46.086   7.335  -5.172
   72    HB3  TYR   9           HB1      TYR   9  45.190   8.754  -4.575
   73    HD1  TYR   9           HD1      TYR   9  45.748  10.999  -5.312
   74    HD2  TYR   9           HD2      TYR   9  48.150   7.630  -6.540
   75    HE1  TYR   9           HE1      TYR   9  46.892  12.430  -7.000
   76    HE2  TYR   9           HE2      TYR   9  49.293   9.061  -8.230
   77    HH   TYR   9           HH       TYR   9  49.649  11.355  -8.818
   78    H    LEU  10           HN       LEU  10  45.692   9.367  -1.613
   79    HA   LEU  10           HA       LEU  10  46.895  12.102  -2.012
   80    HB2  LEU  10           HB2      LEU  10  44.351  11.377  -1.354
   81    HB3  LEU  10           HB1      LEU  10  45.020  11.504   0.285
   82    HG   LEU  10           HG       LEU  10  45.036  13.681  -1.867
   83   HD11  LEU  10          HD11      LEU  10  43.568  13.416   0.795
   84   HD12  LEU  10          HD12      LEU  10  42.836  13.334  -0.823
   85   HD13  LEU  10          HD13      LEU  10  43.544  14.857  -0.248
   86   HD21  LEU  10          HD21      LEU  10  45.871  15.112   0.086
   87   HD22  LEU  10          HD22      LEU  10  47.049  13.953  -0.563
   88   HD23  LEU  10          HD23      LEU  10  46.188  13.595   0.956
   89    H    LYS  11           HN       LYS  11  47.548   9.210  -0.713
   90    HA   LYS  11           HA       LYS  11  49.441  10.320   1.348
   91    HB2  LYS  11           HB2      LYS  11  47.822   7.770   1.659
   92    HB3  LYS  11           HB1      LYS  11  48.968   8.475   2.819
   93    HG2  LYS  11           HG2      LYS  11  47.522  10.416   3.149
   94    HG3  LYS  11           HG1      LYS  11  46.419   9.856   1.869
   95    HD2  LYS  11           HD2      LYS  11  46.064   7.739   3.241
   96    HD3  LYS  11           HD1      LYS  11  46.958   8.534   4.560
   97    HE2  LYS  11           HE2      LYS  11  44.392   9.527   3.243
   98    HE3  LYS  11           HE1      LYS  11  44.561   8.885   4.895
   99    HZ1  LYS  11           HZ1      LYS  11  45.024  10.938   5.547
  100    HZ2  LYS  11           HZ2      LYS  11  45.019  11.516   3.949
  101    HZ3  LYS  11           HZ3      LYS  11  46.449  10.898   4.628
  102    H    ASN  12           HN       ASN  12  48.881   8.594  -1.493
  103    HA   ASN  12           HA       ASN  12  50.316   7.115  -2.584
  104    HB2  ASN  12           HB2      ASN  12  52.336   8.558  -0.887
  105    HB3  ASN  12           HB1      ASN  12  52.747   7.475  -2.242
  106   HD21  ASN  12          HD21      ASN  12  52.269   8.178  -4.427
  107   HD22  ASN  12          HD22      ASN  12  51.817   9.852  -4.764
  108    H    GLU  13           HN       GLU  13  49.352   6.641   0.436
  109    HA   GLU  13           HA       GLU  13  49.320   4.738   1.791
  110    HB2  GLU  13           HB2      GLU  13  49.811   3.562  -0.536
  111    HB3  GLU  13           HB1      GLU  13  51.450   3.370   0.121
  112    HG2  GLU  13           HG2      GLU  13  50.408   2.328   2.188
  113    HG3  GLU  13           HG1      GLU  13  48.848   2.343   1.331
  114    H    ILE  14           HN       ILE  14  51.581   6.842   1.207
  115    HA   ILE  14           HA       ILE  14  53.383   6.247   3.492
  116    HB   ILE  14           HB       ILE  14  54.965   7.436   1.490
  117   HG12  ILE  14          HG12      ILE  14  53.519   4.983   0.474
  118   HG13  ILE  14          HG11      ILE  14  53.411   6.632  -0.172
  119   HG21  ILE  14          HG21      ILE  14  55.110   4.503   2.247
  120   HG22  ILE  14          HG22      ILE  14  55.625   5.779   3.368
  121   HG23  ILE  14          HG23      ILE  14  56.440   5.598   1.804
  122   HD11  ILE  14           HD1      ILE  14  55.755   4.721  -0.272
  123   HD12  ILE  14           HD2      ILE  14  56.003   6.476  -0.447
  124   HD13  ILE  14           HD3      ILE  14  54.978   5.599  -1.609
  125    H    LYS  15           HN       LYS  15  51.506   8.608   1.723
  126    HA   LYS  15           HA       LYS  15  51.525  10.869   2.249
  127    HB2  LYS  15           HB2      LYS  15  52.559   9.910   4.934
  128    HB3  LYS  15           HB1      LYS  15  51.974  11.541   4.597
  129    HG2  LYS  15           HG2      LYS  15  49.781  10.443   3.876
  130    HG3  LYS  15           HG1      LYS  15  50.417   8.947   4.603
  131    HD2  LYS  15           HD2      LYS  15  50.735  10.148   6.761
  132    HD3  LYS  15           HD1      LYS  15  50.036  11.614   6.033
  133    HE2  LYS  15           HE2      LYS  15  47.920  10.432   5.618
  134    HE3  LYS  15           HE1      LYS  15  48.613   8.926   6.267
  135    HZ1  LYS  15           HZ1      LYS  15  47.310  10.051   7.945
  136    HZ2  LYS  15           HZ2      LYS  15  48.221  11.473   7.762
  137    HZ3  LYS  15           HZ3      LYS  15  48.946  10.071   8.390
  138    H    LYS  16           HN       LYS  16  53.287   9.198   0.878
  139    HA   LYS  16           HA       LYS  16  55.450   9.153   0.016
  140    HB2  LYS  16           HB2      LYS  16  55.134  12.069   0.814
  141    HB3  LYS  16           HB1      LYS  16  56.545  11.443  -0.086
  142    HG2  LYS  16           HG2      LYS  16  53.748  10.778  -1.093
  143    HG3  LYS  16           HG1      LYS  16  54.383  12.395  -1.412
  144    HD2  LYS  16           HD2      LYS  16  56.477  11.230  -2.387
  145    HD3  LYS  16           HD1      LYS  16  55.541   9.720  -2.295
  146    HE2  LYS  16           HE2      LYS  16  53.735  10.842  -3.657
  147    HE3  LYS  16           HE1      LYS  16  54.821  12.236  -3.857
  148    HZ1  LYS  16           HZ1      LYS  16  56.473  10.688  -4.811
  149    HZ2  LYS  16           HZ2      LYS  16  55.048  10.782  -5.731
  150    HZ3  LYS  16           HZ3      LYS  16  55.331   9.437  -4.733
  151    H    LYS  17           HN       LYS  17  54.731   8.530   2.798
  152    HA   LYS  17           HA       LYS  17  55.998   7.723   4.569
  153    HB2  LYS  17           HB2      LYS  17  58.114   8.215   3.065
  154    HB3  LYS  17           HB1      LYS  17  58.255   9.670   4.066
  155    HG2  LYS  17           HG2      LYS  17  59.562   8.164   5.302
  156    HG3  LYS  17           HG1      LYS  17  57.983   7.970   6.095
  157    HD2  LYS  17           HD2      LYS  17  57.522   5.954   4.778
  158    HD3  LYS  17           HD1      LYS  17  59.015   6.187   3.838
  159    HE2  LYS  17           HE2      LYS  17  60.367   5.910   5.875
  160    HE3  LYS  17           HE1      LYS  17  58.889   5.738   6.852
  161    HZ1  LYS  17           HZ1      LYS  17  60.097   3.865   4.941
  162    HZ2  LYS  17           HZ2      LYS  17  58.403   3.875   5.085
  163    HZ3  LYS  17           HZ3      LYS  17  59.373   3.562   6.445
  164    H    GLY  18           HN       GLY  18  54.163  10.337   4.194
  165    HA2  GLY  18           HA1      GLY  18  53.474  11.313   6.499
  166    HA3  GLY  18           HA2      GLY  18  55.192  11.680   6.739
  167    H    ARG  19           HN       ARG  19  53.438  12.027   3.713
  168    HA   ARG  19           HA       ARG  19  53.419  13.895   2.369
  169    HB2  ARG  19           HB2      ARG  19  53.540  15.624   4.878
  170    HB3  ARG  19           HB1      ARG  19  52.739  15.967   3.324
  171    HG2  ARG  19           HG2      ARG  19  51.149  14.056   3.807
  172    HG3  ARG  19           HG1      ARG  19  51.873  13.939   5.428
  173    HD2  ARG  19           HD2      ARG  19  49.926  15.328   5.663
  174    HD3  ARG  19           HD1      ARG  19  51.327  16.425   5.715
  175    HE   ARG  19           HE       ARG  19  50.271  16.098   3.016
  176   HH11  ARG  19          HH11      ARG  19  50.665  18.518   2.579
  177   HH12  ARG  19          HH12      ARG  19  49.563  19.549   3.429
  178   HH21  ARG  19          HH21      ARG  19  48.519  17.072   5.619
  179   HH22  ARG  19          HH22      ARG  19  48.349  18.731   5.151
  180    H    LYS  20           HN       LYS  20  55.751  12.426   3.815
  181    HA   LYS  20           HA       LYS  20  57.694  14.440   4.480
  182    HB2  LYS  20           HB2      LYS  20  58.335  11.865   3.170
  183    HB3  LYS  20           HB1      LYS  20  59.465  13.222   3.462
  184    HG2  LYS  20           HG2      LYS  20  58.795  13.062   5.948
  185    HG3  LYS  20           HG1      LYS  20  58.044  11.512   5.549
  186    HD2  LYS  20           HD2      LYS  20  60.246  10.730   4.619
  187    HD3  LYS  20           HD1      LYS  20  60.967  12.254   5.172
  188    HE2  LYS  20           HE2      LYS  20  60.477  11.742   7.483
  189    HE3  LYS  20           HE1      LYS  20  59.489  10.336   7.019
  190    HZ1  LYS  20           HZ1      LYS  20  61.998  10.090   7.735
  191    HZ2  LYS  20           HZ2      LYS  20  62.271  10.431   6.093
  192    HZ3  LYS  20           HZ3      LYS  20  61.318   9.097   6.540
  193    H    ALA  21           HN       ALA  21  56.352  13.145   1.665
  194    HA   ALA  21           HA       ALA  21  58.311  14.077  -0.220
  195    HB1  ALA  21           HB1      ALA  21  56.146  15.068  -1.467
  196    HB2  ALA  21           HB2      ALA  21  55.357  14.147  -0.180
  197    HB3  ALA  21           HB3      ALA  21  56.431  13.329  -1.336
  198    H    VAL  22           HN       VAL  22  57.988  15.290   2.181
  199    HA   VAL  22           HA       VAL  22  59.162  17.714   1.869
  200    HB   VAL  22           HB       VAL  22  57.268  18.755   0.681
  201   HG11  VAL  22          HG11      VAL  22  55.104  19.078   1.935
  202   HG12  VAL  22          HG12      VAL  22  55.723  17.973   3.187
  203   HG13  VAL  22          HG13      VAL  22  55.451  17.380   1.531
  204   HG21  VAL  22          HG21      VAL  22  57.282  19.890   3.505
  205   HG22  VAL  22          HG22      VAL  22  57.062  20.761   1.968
  206   HG23  VAL  22          HG23      VAL  22  58.654  20.084   2.388
  207    H    ILE  23           HN       ILE  23  56.895  15.979   4.180
  208    HA   ILE  23           HA       ILE  23  57.962  17.762   6.237
  209    HB   ILE  23           HB       ILE  23  56.851  14.912   6.480
  210   HG12  ILE  23          HG12      ILE  23  55.859  17.653   7.394
  211   HG13  ILE  23          HG11      ILE  23  55.287  16.802   5.947
  212   HG21  ILE  23          HG21      ILE  23  58.387  14.992   8.280
  213   HG22  ILE  23          HG22      ILE  23  56.900  15.606   9.022
  214   HG23  ILE  23          HG23      ILE  23  58.169  16.741   8.518
  215   HD11  ILE  23           HD1      ILE  23  53.662  15.927   7.332
  216   HD12  ILE  23           HD2      ILE  23  54.560  16.367   8.802
  217   HD13  ILE  23           HD3      ILE  23  54.946  14.860   7.946
  218    H    ALA  24           HN       ALA  24  59.523  15.929   3.891
  219    HA   ALA  24           HA       ALA  24  62.067  16.295   4.629
  220    HB1  ALA  24           HB1      ALA  24  62.729  14.061   5.936
  221    HB2  ALA  24           HB2      ALA  24  61.053  14.175   6.517
  222    HB3  ALA  24           HB3      ALA  24  62.196  15.503   6.822
  223    H    TRP  25           HN       TRP  25  60.594  15.682   2.445
  224    HA   TRP  25           HA       TRP  25  60.595  14.388   0.508
  225    HB2  TRP  25           HB2      TRP  25  62.951  15.352   0.655
  226    HB3  TRP  25           HB1      TRP  25  63.467  13.776   1.297
  227    HD1  TRP  25           HD1      TRP  25  61.266  14.896  -1.710
  228    HE1  TRP  25           HE1      TRP  25  61.964  13.534  -3.812
  229    HE3  TRP  25           HE3      TRP  25  64.977  12.049   0.371
  230    HZ2  TRP  25           HZ2      TRP  25  63.883  11.490  -4.467
  231    HZ3  TRP  25           HZ3      TRP  25  66.229  10.399  -1.011
  232    HH2  TRP  25           HH2      TRP  25  65.685  10.117  -3.426