*HEADER    SIGNALING PROTEIN                       04-NOV-99   1DC8              
*TITLE     STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN                 
*TITLE    2 BACTERIAL SIGNAL TRANSDUCTION                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NITROGEN REGULATION PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RECEIVER DOMAIN(1-124);                         
*COMPND   5 SYNONYM: NTRC;                                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PJES592                                    
*KEYWDS    RECEIVER DOMAIN, PHOSPHORYLATION, SIGNAL TRANSDUCTION,                
*KEYWDS   2 CONFORMATIONAL REARRANGEMENT, TWO-COMPONENT SYSTEM                   
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    D.KERN, B.F.VOLKMAN, P.LUGINBUHL, M.J.NOHAILE, S.KUSTU,               
*AUTHOR   2 D.E.WEMMER                                                           
*REVDAT   1   05-JAN-00 1DC8    0                                                
  2 GLN  HA      2 GLN  QG      3.94                
  2 GLN  HA      3 ARG+ HN      3.08                
  3 ARG+ HN      3 ARG+ HB3     3.27                
  3 ARG+ HN      3 ARG+ QG      4.80                
  3 ARG+ HN     28 LEU  QQD     6.92                
  3 ARG+ HA      3 ARG+ HB2     2.77                
  3 ARG+ HA      3 ARG+ HB3     2.68                
  3 ARG+ HA      3 ARG+ QG      3.67                
  3 ARG+ HA      3 ARG+ QD      5.14                
  3 ARG+ HA      4 GLY  HN      2.74                
  3 ARG+ HA      4 GLY  QA      4.39                
  3 ARG+ HA      5 ILE  QD1     4.92                
  3 ARG+ HB2     4 GLY  HN      3.70                
  3 ARG+ HB2    28 LEU  QQD     6.05                
  3 ARG+ HG2     4 GLY  HN      4.32                
  3 ARG+ HG3     4 GLY  HN      4.32                
  3 ARG+ QG      4 GLY  HN      4.11                
  4 GLY  HN      5 ILE  HN      5.50                
  4 GLY  HN     28 LEU  QD1     5.69                
  4 GLY  HN     28 LEU  QD2     5.69                
  4 GLY  HN     28 LEU  QQD     4.98                
  4 GLY  HA1     5 ILE  HN      3.24                
  4 GLY  HA1     6 VAL  QG1     8.56                
  4 GLY  HA1     6 VAL  QG2     8.56                
  4 GLY  HA1    28 LEU  QD1     7.84                
  4 GLY  HA1    28 LEU  QD2     7.84                
  4 GLY  HA2     5 ILE  HN      3.24                
  4 GLY  HA2     6 VAL  QG1     8.56                
  4 GLY  HA2     6 VAL  QG2     8.56                
  4 GLY  HA2    28 LEU  QD1     7.84                
  4 GLY  HA2    28 LEU  QD2     7.84                
  4 GLY  QA      5 ILE  HN      3.02                
  4 GLY  QA      5 ILE  HB      6.38                
  4 GLY  QA      6 VAL  QQG     6.63                
  4 GLY  QA     28 LEU  QQD     6.08                
  5 ILE  HN      5 ILE  HB      3.17                
  5 ILE  HN      5 ILE  QG2     4.67                
  5 ILE  HN      5 ILE  QD1     5.16                
  5 ILE  HN     28 LEU  QQD     6.80                
  5 ILE  HN     49 ASP- HN      3.83                
  5 ILE  HN     49 ASP- QB      5.48                
  5 ILE  HN     50 VAL  QQG     6.60                
  5 ILE  HA      6 VAL  HN      3.05                
  5 ILE  HA      6 VAL  QQG     6.69                
  5 ILE  HA     29 THR  HN      5.50                
  5 ILE  HA     29 THR  HB      4.01                
  5 ILE  HB     48 PRO  HA      3.52                
  5 ILE  HB     49 ASP- HN      4.07                
  5 ILE  QG2     5 ILE  QD1     4.46                
  5 ILE  QG2     6 VAL  HN      5.26                
  5 ILE  QG2     7 TRP  HD1     4.23                
  5 ILE  QG2     7 TRP  HE1     4.39                
  5 ILE  QG2    29 THR  HB      4.88                
  5 ILE  QG2    29 THR  QG2     5.14                
  5 ILE  QG2    30 CYS  HA      4.85                
  5 ILE  QG2    48 PRO  QB      6.35                
  5 ILE  QG2    49 ASP- HN      4.64                
  5 ILE  HG12   29 THR  HB      4.88                
  5 ILE  HG13   29 THR  HB      4.88                
  5 ILE  QG1    29 THR  HB      4.54                
  5 ILE  QD1    29 THR  HB      4.39                
  5 ILE  QD1    46 LYS+ QE      6.54                
  5 ILE  QD1    48 PRO  HA      3.99                
  5 ILE  QD1    49 ASP- HN      5.66                
  6 VAL  HN      6 VAL  HB      3.45                
  6 VAL  HN      7 TRP  HN      5.50                
  6 VAL  HN     29 THR  HB      4.97                
  6 VAL  HN     29 THR  QG2     5.41                
  6 VAL  HN     30 CYS  HA      3.58                
  6 VAL  HA      7 TRP  HN      3.08                
  6 VAL  HA     50 VAL  HN      3.52                
  6 VAL  HB      7 TRP  HN      3.64                
  6 VAL  HB     30 CYS  HA      4.82                
  6 VAL  HB     31 THR  HN      4.45                
  6 VAL  QG1    30 CYS  HA      5.85                
  6 VAL  QG2    30 CYS  HA      5.85                
  6 VAL  QQG     7 TRP  HN      5.83                
  6 VAL  QQG     7 TRP  HA      6.66                
  6 VAL  QQG    29 THR  HN      6.51                
  6 VAL  QQG    30 CYS  HN      7.22                
  6 VAL  QQG    30 CYS  HA      5.13                
  6 VAL  QQG    30 CYS  QB      7.76                
  6 VAL  QQG    31 THR  HN      6.72                
  6 VAL  QQG    50 VAL  HN      6.07                
  7 TRP  HN      7 TRP  QB      3.71                
  7 TRP  HN      7 TRP  HD1     4.26                
  7 TRP  HN     51 LEU  HA      3.67                
  7 TRP  HA      7 TRP  HD1     3.36                
  7 TRP  HA      8 VAL  HN      3.14                
  7 TRP  HA     30 CYS  HA      4.17                
  7 TRP  HA     31 THR  HB      4.79                
  7 TRP  QB      8 VAL  HN      4.52                
  7 TRP  QB      9 VAL  QQG     7.54                
  7 TRP  QB     33 PHE  QE      8.50                
  7 TRP  QB     39 VAL  QG1     5.73                
  7 TRP  QB     51 LEU  QQD     6.71                
  7 TRP  QB     52 LEU  HN      5.69                
  7 TRP  HD1     8 VAL  HN      4.63                
  7 TRP  HD1    31 THR  HN      4.11                
  7 TRP  HD1    51 LEU  QQD     7.01                
  7 TRP  HE3    43 LEU  QQD     6.21                
  7 TRP  HE3    51 LEU  QQD     5.99                
  7 TRP  HE1    31 THR  HB      4.60                
  7 TRP  HZ3    43 LEU  HN      4.60                
  7 TRP  HZ3    43 LEU  HB3     4.85                
  7 TRP  HZ3    43 LEU  QQD     6.39                
  7 TRP  HZ2    31 THR  QG2     5.85                
  7 TRP  HZ2    33 PHE  HZ      4.48                
  7 TRP  HZ2    42 ALA  QB      5.07                
  7 TRP  HZ2    46 LYS+ HB2     5.50                
  7 TRP  HZ2    46 LYS+ HB3     5.50                
  7 TRP  HZ2    46 LYS+ QG      5.07                
  7 TRP  HZ2    46 LYS+ QD      5.51                
  7 TRP  HH2    33 PHE  HZ      5.50                
  7 TRP  HH2    43 LEU  HA      3.70                
  7 TRP  HH2    46 LYS+ HN      4.85                
  7 TRP  HH2    46 LYS+ HB2     4.04                
  7 TRP  HH2    46 LYS+ HB3     4.04                
  8 VAL  HN      8 VAL  HB      3.42                
  8 VAL  HN      9 VAL  QQG     7.59                
  8 VAL  HN     32 THR  HA      3.42                
  8 VAL  HN     32 THR  QG2     5.26                
  8 VAL  HN     33 PHE  QD      7.62                
  8 VAL  HN     33 PHE  QE      7.62                
  8 VAL  HA      9 VAL  HN      3.05                
  8 VAL  HA     51 LEU  QQD     6.89                
  8 VAL  HA     52 LEU  HN      3.45                
  8 VAL  HB     20 GLU- QG      5.04                
  8 VAL  HB     32 THR  QG2     4.39                
  8 VAL  HB     33 PHE  HN      4.63                
  8 VAL  QQG     9 VAL  HN      5.92                
  8 VAL  QQG    10 ASP- HN      6.91                
  8 VAL  QQG    16 ARG+ QD      7.38                
  8 VAL  QQG    19 LEU  QQD     7.59                
  8 VAL  QQG    20 GLU- QG      8.47                
  8 VAL  QQG    32 THR  HA      7.59                
  8 VAL  QQG    32 THR  QG2     6.39                
  8 VAL  QQG    52 LEU  QB      6.92                
  9 VAL  HN      9 VAL  HB      3.76                
  9 VAL  HN     10 ASP- HN      5.50                
  9 VAL  HN     51 LEU  QQD     6.92                
  9 VAL  HN     52 LEU  HN      3.67                
  9 VAL  HN     53 SER  HA      3.67                
  9 VAL  HA     10 ASP- HN      2.99                
  9 VAL  HA     33 PHE  HN      3.76                
  9 VAL  HB     10 ASP- HN      3.42                
  9 VAL  HB     35 ASN  HA      4.29                
  9 VAL  QG1    10 ASP- HN      4.98                
  9 VAL  QG1    33 PHE  HN      5.88                
  9 VAL  QG2    10 ASP- HN      4.98                
  9 VAL  QG2    33 PHE  HN      5.88                
  9 VAL  QQG    33 PHE  HN      5.54                
  9 VAL  QQG    33 PHE  QB      7.17                
  9 VAL  QQG    33 PHE  QD      9.28                
  9 VAL  QQG    34 GLU- HN      7.00                
  9 VAL  QQG    35 ASN  HN      6.60                
  9 VAL  QQG    36 GLY  QA      7.45                
  9 VAL  QQG    38 GLU- QG      8.03                
  9 VAL  QQG    39 VAL  QG1     8.43                
  9 VAL  QQG    52 LEU  HN      6.69                
  9 VAL  QQG    52 LEU  QB      6.98                
  9 VAL  QQG    52 LEU  QQD     9.01                
  9 VAL  QQG    53 SER  HA      5.98                
  9 VAL  QQG    54 ASP- HN      6.60                
  9 VAL  QQG    60 MET  QE      7.88                
 10 ASP- HN     10 ASP- HB2     3.61                
 10 ASP- HN     10 ASP- HB3     3.61                
 10 ASP- HN     33 PHE  HN      3.89                
 10 ASP- HN     33 PHE  QB      5.60                
 10 ASP- HN     34 GLU- HA      3.70                
 10 ASP- HA     11 ASP- HN      3.39                
 10 ASP- HA     54 ASP- HN      3.67                
 10 ASP- HA     54 ASP- HB2     4.85                
 10 ASP- HA     54 ASP- HB3     4.85                
 10 ASP- HA     54 ASP- QB      4.28                
 10 ASP- HB2    15 ILE  QG2     5.50                
 10 ASP- HB3    15 ILE  QG2     5.50                
 10 ASP- QB     15 ILE  QG2     5.28                
 10 ASP- QB     54 ASP- HN      5.88                
 10 ASP- QB     81 MET  QE      5.82                
 11 ASP- HN     12 ASP- QB      4.33                
 11 ASP- HA     34 GLU- QG      5.01                
 12 ASP- HN     12 ASP- HB2     3.36                
 12 ASP- HN     12 ASP- HB3     3.36                
 12 ASP- HN     13 SER  HN      3.55                
 12 ASP- HN     15 ILE  HB      3.89                
 12 ASP- HB2    13 SER  HN      3.58                
 12 ASP- HB2    14 SER  HN      3.89                
 12 ASP- HB3    13 SER  HN      3.58                
 12 ASP- HB3    14 SER  HN      3.89                
 12 ASP- QB     15 ILE  HN      4.61                
 12 ASP- QB     15 ILE  QG1     6.23                
 13 SER  HN     13 SER  QB      3.63                
 13 SER  HN     14 SER  HN      3.39                
 13 SER  HN     15 ILE  HB      3.76                
 13 SER  HA     14 SER  QB      6.38                
 13 SER  QB     14 SER  HN      4.33                
 14 SER  HN     14 SER  QB      3.93                
 14 SER  HN     15 ILE  HN      3.08                
 14 SER  HN     15 ILE  HB      3.73                
 14 SER  HN     15 ILE  QG2     5.81                
 14 SER  HA     17 TRP  HN      3.58                
 14 SER  HA     18 VAL  HN      5.50                
 15 ILE  HN     15 ILE  HB      3.05                
 15 ILE  HN     15 ILE  QG1     5.32                
 15 ILE  HN     15 ILE  QD1     5.41                
 15 ILE  HN     16 ARG+ HN      3.33                
 15 ILE  HA     15 ILE  QD1     4.11                
 15 ILE  HA     18 VAL  HN      3.48                
 15 ILE  HA     18 VAL  HB      3.52                
 15 ILE  HA     18 VAL  QG1     5.29                
 15 ILE  HA     18 VAL  QG2     5.29                
 15 ILE  HA     18 VAL  QQG     4.62                
 15 ILE  HB     16 ARG+ HN      2.90                
 15 ILE  QG2    16 ARG+ HN      4.76                
 15 ILE  QG2    17 TRP  HN      5.26                
 15 ILE  QD1    18 VAL  HN      5.69                
 15 ILE  QD1    18 VAL  HB      5.44                
 15 ILE  QD1    18 VAL  QQG     7.88                
 15 ILE  QD1    19 LEU  HG      4.95                
 15 ILE  QD1   106 PHE  QE      7.75                
 16 ARG+ HN     16 ARG+ QD      5.94                
 16 ARG+ HN     17 TRP  HN      3.58                
 16 ARG+ HN     18 VAL  HN      4.07                
 16 ARG+ HN     19 LEU  QB      4.58                
 16 ARG+ HA     17 TRP  HN      3.42                
 16 ARG+ HA     19 LEU  HN      3.45                
 16 ARG+ HA     32 THR  QG2     4.73                
 16 ARG+ QB     17 TRP  HN      4.42                
 16 ARG+ QB     32 THR  HB      6.38                
 16 ARG+ QD     18 VAL  HN      4.70                
 17 TRP  HN     17 TRP  HB2     3.70                
 17 TRP  HN     17 TRP  HB3     3.70                
 17 TRP  HN     17 TRP  QB      3.28                
 17 TRP  HN     17 TRP  HE3     4.88                
 17 TRP  HN     18 VAL  HN      5.50                
 17 TRP  HA     17 TRP  HD1     5.50                
 17 TRP  HA     17 TRP  HE3     3.98                
 17 TRP  HA     18 VAL  HN      3.48                
 17 TRP  HA     20 GLU- HN      3.79                
 17 TRP  HA     20 GLU- QB      4.39                
 17 TRP  QB     18 VAL  HN      4.21                
 17 TRP  HE3    18 VAL  HN      4.42                
 17 TRP  HE3    18 VAL  HA      3.92                
 17 TRP  HE3    18 VAL  QQG     6.57                
 17 TRP  HZ3    18 VAL  QQG     7.07                
 17 TRP  HZ3    21 ARG+ QD      5.88                
 17 TRP  HH2    18 VAL  QQG     6.91                
 18 VAL  HN     18 VAL  HB      2.99                
 18 VAL  HN     18 VAL  QG1     4.36                
 18 VAL  HN     18 VAL  QG2     4.36                
 18 VAL  HN     18 VAL  QQG     3.91                
 18 VAL  HN     19 LEU  QB      4.36                
 18 VAL  HA     21 ARG+ HN      3.67                
 18 VAL  HA     21 ARG+ QB      4.36                
 18 VAL  HB     19 LEU  HN      3.58                
 18 VAL  HB    108 ILE  QD1     4.95                
 18 VAL  QQG    19 LEU  QB      7.79                
 18 VAL  QQG    21 ARG+ HN      6.76                
 18 VAL  QQG   108 ILE  QG1     6.55                
 18 VAL  QQG   108 ILE  QD1     6.48                
 19 LEU  HN     19 LEU  HB2     3.21                
 19 LEU  HN     19 LEU  HB3     3.21                
 19 LEU  HN     19 LEU  QB      3.00                
 19 LEU  HN     19 LEU  HG      4.20                
 19 LEU  HN     19 LEU  QD1     5.35                
 19 LEU  HN     19 LEU  QD2     5.35                
 19 LEU  HN     19 LEU  QQD     5.05                
 19 LEU  HN     20 GLU- HN      3.70                
 19 LEU  HN    108 ILE  QD1     4.92                
 19 LEU  HA     19 LEU  QD1     3.95                
 19 LEU  HA     19 LEU  QD2     3.95                
 19 LEU  HA     19 LEU  QQD     3.43                
 19 LEU  HA     21 ARG+ HN      3.70                
 19 LEU  HA     23 LEU  HN      5.50                
 19 LEU  HA    112 VAL  QG2     4.39                
 19 LEU  QB     20 GLU- HN      3.96                
 19 LEU  QB     32 THR  QG2     5.82                
 19 LEU  QD1    20 GLU- HN      5.38                
 19 LEU  QD1   106 PHE  HZ      5.01                
 19 LEU  QD1   108 ILE  QD1     4.98                
 19 LEU  QD2    20 GLU- HN      5.38                
 19 LEU  QD2   106 PHE  HZ      5.01                
 19 LEU  QD2   108 ILE  QD1     4.98                
 19 LEU  QQD    22 ALA  QB      8.66                
 19 LEU  QQD    52 LEU  QB      7.02                
 19 LEU  QQD   106 PHE  QD      9.54                
 19 LEU  QQD   106 PHE  QE      8.89                
 19 LEU  QQD   106 PHE  HZ      4.60                
 19 LEU  QQD   108 ILE  QD1     4.46                
 19 LEU  QQD   112 VAL  HA      6.73                
 19 LEU  QQD   112 VAL  QG2     6.77                
 20 GLU- HN     20 GLU- QB      3.77                
 20 GLU- HN     20 GLU- QG      5.07                
 20 GLU- HN     21 ARG+ HN      3.58                
 20 GLU- HA     23 LEU  QB      3.99                
 20 GLU- HA     24 ALA  HN      3.42                
 20 GLU- QB     32 THR  QG2     5.54                
 20 GLU- QG     21 ARG+ HN      6.10                
 20 GLU- QG     30 CYS  QB      6.76                
 20 GLU- QG     32 THR  QG2     5.98                
 21 ARG+ HN     21 ARG+ HB2     3.45                
 21 ARG+ HN     21 ARG+ HB3     3.45                
 21 ARG+ HN     21 ARG+ QB      3.22                
 21 ARG+ HN     21 ARG+ QG      5.48                
 21 ARG+ HN     21 ARG+ QD      6.07                
 21 ARG+ HA     21 ARG+ QD      5.35                
 21 ARG+ HA     22 ALA  HN      3.39                
 21 ARG+ HA     24 ALA  QB      3.89                
 21 ARG+ QG     22 ALA  HN      6.38                
 22 ALA  HN     22 ALA  HA      2.87                
 22 ALA  HN     23 LEU  HN      3.55                
 22 ALA  HA     23 LEU  HN      3.39                
 22 ALA  HA     25 GLY  HN      3.33                
 22 ALA  HA    108 ILE  QG2     4.57                
 22 ALA  QB    108 ILE  QG2     5.29                
 22 ALA  QB    112 VAL  QG2     5.45                
 23 LEU  HN     23 LEU  HB2     3.24                
 23 LEU  HN     23 LEU  HB3     3.24                
 23 LEU  HN     23 LEU  QB      3.02                
 23 LEU  HN     23 LEU  QD1     5.13                
 23 LEU  HN     23 LEU  QD2     5.13                
 23 LEU  HN     23 LEU  QQD     4.46                
 23 LEU  HN     24 ALA  HN      3.42                
 23 LEU  HN     24 ALA  QB      5.29                
 23 LEU  HN     25 GLY  HN      3.83                
 23 LEU  HN    112 VAL  QG2     4.70                
 23 LEU  HA     23 LEU  QD1     3.89                
 23 LEU  HA     23 LEU  QD2     3.89                
 23 LEU  HA     23 LEU  QQD     3.40                
 23 LEU  HB2    24 ALA  HN      3.58                
 23 LEU  HB3    24 ALA  HN      3.58                
 23 LEU  QQD    24 ALA  HN      6.61                
 23 LEU  QQD    26 ALA  QB      7.02                
 23 LEU  QQD    27 GLY  HN      7.38                
 23 LEU  QQD   111 ALA  HN      6.61                
 23 LEU  QQD   112 VAL  HA      6.27                
 24 ALA  HN     25 GLY  HN      3.30                
 24 ALA  HA     25 GLY  HN      3.58                
 24 ALA  HA     27 GLY  HN      3.39                
 24 ALA  HA     28 LEU  HN      3.45                
 24 ALA  QB     25 GLY  HN      4.20                
 25 GLY  HN     26 ALA  HN      3.27                
 25 GLY  QA     27 GLY  HN      4.64                
 26 ALA  HN     26 ALA  QB      3.61                
 26 ALA  HN     27 GLY  HN      3.21                
 26 ALA  HN     28 LEU  HN      5.50                
 26 ALA  HN    112 VAL  QG1     4.85                
 26 ALA  HA     27 GLY  HN      3.36                
 26 ALA  HA    112 VAL  QG1     4.95                
 26 ALA  QB     27 GLY  QA      6.35                
 27 GLY  HN     27 GLY  HA1     2.96                
 27 GLY  HN     27 GLY  HA2     2.96                
 27 GLY  HN     28 LEU  HN      3.11                
 27 GLY  HN     28 LEU  QQD     7.26                
 27 GLY  HA1    28 LEU  HN      3.61                
 27 GLY  HA2    28 LEU  HN      3.61                
 28 LEU  HN     28 LEU  QB      3.75                
 28 LEU  HN     28 LEU  HG      2.71                
 28 LEU  HN     28 LEU  QD1     5.35                
 28 LEU  HN     28 LEU  QD2     5.35                
 28 LEU  HN     28 LEU  QQD     4.77                
 28 LEU  HA     28 LEU  QD1     5.47                
 28 LEU  HA     28 LEU  QD2     5.47                
 28 LEU  HA     29 THR  HN      3.02                
 28 LEU  QB     29 THR  HN      4.27                
 28 LEU  QQD    29 THR  HN      6.45                
 29 THR  HN     29 THR  HB      3.24                
 29 THR  HN     30 CYS  HN      3.73                
 29 THR  HA     30 CYS  HN      2.74                
 29 THR  QG2    30 CYS  HN      4.57                
 30 CYS  HN     30 CYS  HB2     3.55                
 30 CYS  HN     30 CYS  HB3     3.55                
 30 CYS  HN     30 CYS  QB      3.31                
 30 CYS  HA     31 THR  HN      2.93                
 31 THR  HN     31 THR  HB      3.39                
 31 THR  HA     32 THR  HN      2.59                
 31 THR  HA     32 THR  QG2     5.60                
 31 THR  HB     32 THR  HN      3.79                
 31 THR  QG2    32 THR  HN      4.08                
 31 THR  QG2    32 THR  QG2     7.56                
 31 THR  QG2    33 PHE  QD      7.60                
 31 THR  QG2    33 PHE  QE      7.04                
 31 THR  QG2    33 PHE  HZ      4.70                
 32 THR  HN     32 THR  QG2     4.51                
 32 THR  HA     33 PHE  HN      3.11                
 32 THR  HA     33 PHE  QD      7.40                
 32 THR  HB     33 PHE  HN      3.45                
 32 THR  QG2    33 PHE  HN      5.29                
 33 PHE  HN     33 PHE  HB2     3.92                
 33 PHE  HN     33 PHE  HB3     3.92                
 33 PHE  HN     39 VAL  QG2     5.47                
 33 PHE  HA     34 GLU- HN      2.87                
 33 PHE  QB     34 GLU- HN      4.52                
 33 PHE  QB     35 ASN  HN      4.27                
 33 PHE  QD     34 GLU- HN      7.56                
 33 PHE  QD     35 ASN  HN      7.19                
 33 PHE  QD     38 GLU- QB      8.34                
 33 PHE  QD     38 GLU- HG2     7.47                
 33 PHE  QD     38 GLU- HG3     7.47                
 33 PHE  QD     38 GLU- QG      7.08                
 33 PHE  QD     42 ALA  QB      6.98                
 33 PHE  QE     42 ALA  QB      6.91                
 33 PHE  QE     51 LEU  QQD    10.22                
 33 PHE  HZ     42 ALA  QB      4.51                
 34 GLU- HN     34 GLU- HB2     3.39                
 34 GLU- HN     34 GLU- HB3     3.39                
 34 GLU- HN     34 GLU- QB      3.14                
 34 GLU- HN     34 GLU- HG2     4.11                
 34 GLU- HN     34 GLU- HG3     4.11                
 34 GLU- HN     34 GLU- QG      3.84                
 34 GLU- HN     35 ASN  HN      3.08                
 34 GLU- HN     36 GLY  HN      4.17                
 34 GLU- HA     34 GLU- HG2     4.07                
 34 GLU- HA     34 GLU- HG3     4.07                
 34 GLU- HA     34 GLU- QG      3.79                
 34 GLU- HB2    35 ASN  HN      3.73                
 34 GLU- HB3    35 ASN  HN      3.73                
 34 GLU- QB     35 ASN  HN      3.50                
 34 GLU- QG     35 ASN  HN      5.17                
 35 ASN  HN     35 ASN  QB      3.78                
 35 ASN  HA     36 GLY  HN      3.48                
 35 ASN  QB     36 GLY  HN      4.36                
 35 ASN  QB     37 ASN  HN      4.27                
 35 ASN  QD2    38 GLU- QG      6.56                
 36 GLY  HN     37 ASN  HN      3.52                
 36 GLY  HA1    39 VAL  QG2     5.10                
 36 GLY  HA2    39 VAL  QG2     5.10                
 36 GLY  QA     39 VAL  HN      4.67                
 36 GLY  QA     39 VAL  QG1     6.16                
 36 GLY  QA     39 VAL  QG2     4.86                
 36 GLY  QA     60 MET  QE      5.08                
 37 ASN  HN     37 ASN  HA      2.90                
 37 ASN  HN     37 ASN  HB2     3.05                
 37 ASN  HN     37 ASN  HB3     2.93                
 37 ASN  HN     38 GLU- HN      3.11                
 37 ASN  HN     57 MET  QE      4.88                
 37 ASN  HA     37 ASN  HB2     2.71                
 37 ASN  HA     37 ASN  HB3     3.05                
 37 ASN  HA     38 GLU- HN      3.55                
 37 ASN  HA     40 LEU  HN      3.39                
 37 ASN  HA     40 LEU  QB      3.80                
 37 ASN  HA     40 LEU  QQD     5.93                
 37 ASN  HA     57 MET  QE      4.30                
 37 ASN  HB2    38 GLU- HN      3.83                
 37 ASN  HB3    38 GLU- HN      3.24                
 37 ASN  HD21   57 MET  QE      4.98                
 37 ASN  HD22   57 MET  QE      4.98                
 37 ASN  QD2    57 MET  QE      4.84                
 38 GLU- HN     38 GLU- HG2     3.42                
 38 GLU- HN     38 GLU- HG3     3.42                
 38 GLU- HN     38 GLU- QG      3.18                
 38 GLU- HN     39 VAL  HN      3.21                
 38 GLU- HN     40 LEU  HN      5.50                
 38 GLU- HA     38 GLU- QG      3.79                
 38 GLU- HA     41 ALA  HN      5.50                
 38 GLU- HA     41 ALA  QB      4.26                
 38 GLU- QB     39 VAL  HA      4.95                
 39 VAL  HN     39 VAL  HB      3.14                
 39 VAL  HN     39 VAL  QG1     4.26                
 39 VAL  HN     39 VAL  QG2     3.86                
 39 VAL  HN     40 LEU  HN      3.33                
 39 VAL  HA     42 ALA  HN      3.58                
 39 VAL  HA     42 ALA  QB      4.82                
 39 VAL  HB     40 LEU  HN      3.24                
 39 VAL  QG1    40 LEU  HN      6.34                
 39 VAL  QG1    42 ALA  QB      7.56                
 39 VAL  QG1    51 LEU  QQD     6.92                
 39 VAL  QG2    40 LEU  HN      4.98                
 39 VAL  QG2    42 ALA  QB      6.25                
 40 LEU  HN     40 LEU  HB2     3.08                
 40 LEU  HN     40 LEU  HB3     3.08                
 40 LEU  HN     40 LEU  HG      5.50                
 40 LEU  HN     40 LEU  QD1     6.53                
 40 LEU  HN     40 LEU  QD2     6.53                
 40 LEU  HN     40 LEU  QQD     5.74                
 40 LEU  HA     40 LEU  HB2     2.96                
 40 LEU  HA     40 LEU  HB3     2.96                
 40 LEU  HA     40 LEU  HG      2.99                
 40 LEU  HA     40 LEU  QD1     4.33                
 40 LEU  HA     40 LEU  QD2     4.33                
 40 LEU  HA     40 LEU  QQD     3.66                
 40 LEU  HA     43 LEU  HN      3.55                
 40 LEU  QB     41 ALA  HN      4.08                
 40 LEU  QB     42 ALA  HN      4.58                
 40 LEU  HG     41 ALA  HN      3.95                
 40 LEU  QD1    41 ALA  HN      5.44                
 40 LEU  QD1    68 GLN  HG2     7.34                
 40 LEU  QD1    68 GLN  HG3     7.34                
 40 LEU  QD1    72 ARG+ HD2     8.15                
 40 LEU  QD1    72 ARG+ HD3     8.15                
 40 LEU  QD2    41 ALA  HN      5.44                
 40 LEU  QD2    68 GLN  HG2     7.34                
 40 LEU  QD2    68 GLN  HG3     7.34                
 40 LEU  QD2    72 ARG+ HD2     8.15                
 40 LEU  QD2    72 ARG+ HD3     8.15                
 40 LEU  QQD    41 ALA  HN      4.91                
 40 LEU  QQD    68 GLN  HA      6.52                
 40 LEU  QQD    68 GLN  HB2     6.39                
 40 LEU  QQD    68 GLN  HB3     6.24                
 40 LEU  QQD    68 GLN  QG      5.71                
 40 LEU  QQD    68 GLN  QE2     8.62                
 40 LEU  QQD    72 ARG+ QD      6.43                
 41 ALA  HN     41 ALA  HA      2.71                
 41 ALA  HN     41 ALA  QB      3.52                
 41 ALA  HN     42 ALA  HN      2.99                
 41 ALA  HA     44 ALA  HN      3.45                
 41 ALA  QB     42 ALA  HN      4.08                
 41 ALA  QB     43 LEU  HN      5.44                
 42 ALA  HN     42 ALA  HA      2.93                
 42 ALA  HN     43 LEU  HN      3.17                
 42 ALA  HN     43 LEU  HB2     3.70                
 42 ALA  HN     43 LEU  QQD     6.98                
 42 ALA  HA     43 LEU  HN      3.45                
 43 LEU  HN     43 LEU  HB2     3.08                
 43 LEU  HN     43 LEU  HB3     3.27                
 43 LEU  HN     43 LEU  HG      3.73                
 43 LEU  HN     43 LEU  QD1     5.44                
 43 LEU  HN     43 LEU  QD2     5.44                
 43 LEU  HN     43 LEU  QQD     4.81                
 43 LEU  HN     44 ALA  HN      3.14                
 43 LEU  HN     44 ALA  QB      5.19                
 43 LEU  HA     43 LEU  QD1     5.50                
 43 LEU  HA     43 LEU  QD2     5.50                
 43 LEU  HA     44 ALA  HN      3.48                
 43 LEU  HA     46 LYS+ HN      3.24                
 43 LEU  HB2    44 ALA  HN      3.45                
 43 LEU  HB2    72 ARG+ QB      5.26                
 43 LEU  HB3    44 ALA  HN      3.33                
 43 LEU  QD1    48 PRO  HD2     7.04                
 43 LEU  QD1    48 PRO  HD3     7.04                
 43 LEU  QD1    76 LEU  QD1     8.71                
 43 LEU  QD1    76 LEU  QD2     8.71                
 43 LEU  QD2    48 PRO  HD2     7.04                
 43 LEU  QD2    48 PRO  HD3     7.04                
 43 LEU  QD2    76 LEU  QD1     8.71                
 43 LEU  QD2    76 LEU  QD2     8.71                
 43 LEU  QQD    44 ALA  HN      6.86                
 43 LEU  QQD    46 LYS+ HN      7.01                
 43 LEU  QQD    46 LYS+ QB      7.42                
 43 LEU  QQD    47 THR  HA      6.21                
 43 LEU  QQD    48 PRO  QD      5.76                
 43 LEU  QQD    51 LEU  HG      5.52                
 43 LEU  QQD    76 LEU  QQD     6.60                
 44 ALA  HN     44 ALA  HA      2.80                
 44 ALA  HN     44 ALA  QB      3.58                
 44 ALA  HN     45 SER  HN      2.99                
 44 ALA  HN     45 SER  QB      4.61                
 44 ALA  HN     46 LYS+ HN      5.50                
 44 ALA  HA     45 SER  HN      3.33                
 44 ALA  HA     46 LYS+ HN      5.50                
 44 ALA  QB     72 ARG+ HA      3.71                
 45 SER  HN     45 SER  HB2     3.58                
 45 SER  HN     45 SER  HB3     3.58                
 45 SER  HN     45 SER  QB      3.27                
 45 SER  HN     46 LYS+ HN      2.62                
 45 SER  HA     45 SER  HB2     2.93                
 45 SER  HA     45 SER  HB3     2.93                
 45 SER  HB2    46 LYS+ HN      3.42                
 45 SER  HB3    46 LYS+ HN      3.42                
 46 LYS+ HN     46 LYS+ HB2     3.24                
 46 LYS+ HN     46 LYS+ HB3     3.24                
 46 LYS+ HN     46 LYS+ HG2     5.50                
 46 LYS+ HN     46 LYS+ HG3     5.50                
 46 LYS+ HN     46 LYS+ QG      4.95                
 46 LYS+ HN     47 THR  HN      3.86                
 46 LYS+ HA     46 LYS+ HB2     2.96                
 46 LYS+ HA     46 LYS+ HB3     2.96                
 46 LYS+ HA     46 LYS+ HG2     4.01                
 46 LYS+ HA     46 LYS+ HG3     4.01                
 46 LYS+ HA     46 LYS+ QG      3.85                
 46 LYS+ HA     46 LYS+ QD      6.38                
 46 LYS+ HB2    47 THR  HN      3.24                
 46 LYS+ HB3    47 THR  HN      3.24                
 46 LYS+ HG2    47 THR  HN      3.89                
 46 LYS+ HG3    47 THR  HN      3.89                
 47 THR  HN     47 THR  HB      3.02                
 47 THR  HN     47 THR  QG2     4.88                
 47 THR  HA     48 PRO  HD2     3.48                
 47 THR  HA     48 PRO  HD3     3.48                
 47 THR  HB     48 PRO  QD      5.11                
 47 THR  HB     76 LEU  QD1     5.23                
 47 THR  HB     76 LEU  QD2     5.23                
 48 PRO  HA     49 ASP- HN      3.21                
 48 PRO  HA     50 VAL  HN      5.50                
 48 PRO  HB2    49 ASP- HN      3.70                
 48 PRO  HB3    49 ASP- HN      3.70                
 48 PRO  QB     49 ASP- HN      3.49                
 48 PRO  QB     50 VAL  HN      4.52                
 48 PRO  HG2    49 ASP- HN      4.23                
 48 PRO  QD     76 LEU  QQD     7.11                
 49 ASP- HN     50 VAL  HN      3.05                
 49 ASP- HN     50 VAL  QQG     6.94                
 49 ASP- HA     50 VAL  HN      3.33                
 49 ASP- HA     50 VAL  QQG     6.76                
 49 ASP- HA     76 LEU  QQD     7.11                
 49 ASP- QB     50 VAL  QQG     8.62                
 49 ASP- QB    119 ILE  HA      6.38                
 50 VAL  HN     50 VAL  HB      3.52                
 50 VAL  HN     51 LEU  HN      5.50                
 50 VAL  HN     76 LEU  QQD     7.01                
 50 VAL  HN    119 ILE  QG1     5.07                
 50 VAL  HA     51 LEU  HN      2.96                
 50 VAL  HA     76 LEU  HG      4.45                
 50 VAL  HA     76 LEU  QD1     5.04                
 50 VAL  HA     76 LEU  QD2     5.04                
 50 VAL  HA     76 LEU  QQD     4.29                
 50 VAL  HA     77 PRO  HG2     3.76                
 50 VAL  HA     77 PRO  HG3     3.76                
 50 VAL  HA     77 PRO  QG      3.58                
 50 VAL  HB     51 LEU  HN      3.61                
 50 VAL  QQG    51 LEU  HN      5.73                
 50 VAL  QQG    51 LEU  HA      6.60                
 50 VAL  QQG    77 PRO  QB      8.96                
 50 VAL  QQG    77 PRO  QG      7.29                
 50 VAL  QQG    78 VAL  HA      6.04                
 50 VAL  QQG    79 ILE  HN      6.48                
 50 VAL  QQG   115 VAL  QQG     7.58                
 51 LEU  HN     51 LEU  QB      3.71                
 51 LEU  HN     51 LEU  HG      4.91                
 51 LEU  HN     76 LEU  HG      4.48                
 51 LEU  HN     76 LEU  QQD     6.64                
 51 LEU  HN     78 VAL  HA      3.61                
 51 LEU  HN     78 VAL  QQG     6.29                
 51 LEU  HA     51 LEU  QD1     5.32                
 51 LEU  HA     51 LEU  QD2     5.32                
 51 LEU  HA     52 LEU  HN      3.11                
 51 LEU  HG     52 LEU  HN      4.11                
 51 LEU  HG     52 LEU  QB      4.70                
 51 LEU  QD1    52 LEU  HN      4.70                
 51 LEU  QD2    52 LEU  HN      4.70                
 51 LEU  QQD    52 LEU  HN      4.35                
 51 LEU  QQD    52 LEU  HA      7.07                
 51 LEU  QQD    53 SER  QB      8.04                
 51 LEU  QQD    76 LEU  QQD     9.80                
 51 LEU  QQD    78 VAL  HB      6.05                
 52 LEU  HN     52 LEU  HB2     3.45                
 52 LEU  HN     52 LEU  HB3     3.45                
 52 LEU  HN     52 LEU  QB      3.28                
 52 LEU  HN     52 LEU  QD1     5.41                
 52 LEU  HN     52 LEU  QD2     5.41                
 52 LEU  HN     52 LEU  QQD     4.94                
 52 LEU  HN     78 VAL  QQG     6.23                
 52 LEU  HA     53 SER  HN      3.02                
 52 LEU  HA     78 VAL  QQG     6.57                
 52 LEU  HA     79 ILE  HB      4.51                
 52 LEU  HA     79 ILE  QG2     5.35                
 52 LEU  HA     79 ILE  QD1     4.79                
 52 LEU  HB2    53 SER  HN      3.73                
 52 LEU  HB3    53 SER  HN      3.73                
 52 LEU  QB     53 SER  HA      4.52                
 52 LEU  QB     79 ILE  QG2     5.61                
 52 LEU  HG     53 SER  HN      4.54                
 52 LEU  QQD    53 SER  HN      6.08                
 52 LEU  QQD    53 SER  HA      7.48                
 52 LEU  QQD    53 SER  QB      8.04                
 52 LEU  QQD    54 ASP- HN      7.35                
 52 LEU  QQD    81 MET  HB3     5.65                
 52 LEU  QQD    81 MET  QE      8.32                
 52 LEU  QQD   101 TYR  HA      7.11                
 52 LEU  QQD   102 LEU  QB      5.87                
 52 LEU  QQD   102 LEU  QQD     7.59                
 52 LEU  QQD   111 ALA  QB      6.77                
 52 LEU  QQD   114 LEU  QB      8.14                
 53 SER  HN     53 SER  HB2     3.76                
 53 SER  HN     53 SER  HB3     3.76                
 53 SER  HN     53 SER  QB      3.50                
 53 SER  HN     78 VAL  QQG     6.91                
 53 SER  HN     81 MET  HB2     4.82                
 53 SER  HA     54 ASP- HN      3.36                
 54 ASP- HN     54 ASP- HB2     3.55                
 54 ASP- HN     54 ASP- HB3     3.55                
 54 ASP- HN     60 MET  QE      5.81                
 54 ASP- HN     81 MET  HB2     5.19                
 54 ASP- HN     81 MET  HB3     5.16                
 54 ASP- HA     55 ILE  HN      3.55                
 54 ASP- HA     81 MET  HN      4.04                
 54 ASP- HA     81 MET  HB2     4.54                
 54 ASP- HA     81 MET  HG2     4.63                
 54 ASP- HA     81 MET  HG3     4.63                
 54 ASP- HA     81 MET  QG      4.26                
 54 ASP- QB     55 ILE  HN      4.42                
 54 ASP- QB     81 MET  HB2     5.48                
 55 ILE  HN     55 ILE  QD1     5.10                
 55 ILE  HN     56 ARG+ HN      3.95                
 55 ILE  HN     80 ILE  QD1     6.12                
 55 ILE  HN     81 MET  HB2     4.91                
 55 ILE  HN     82 THR  HB      4.66                
 55 ILE  HN     82 THR  QG2     5.19                
 55 ILE  HB     56 ARG+ HN      3.79                
 55 ILE  QG2    56 ARG+ HN      5.94                
 55 ILE  QG2    61 ASP- QB      5.95                
 55 ILE  QG2    62 GLY  QA      6.10                
 56 ARG+ HN     56 ARG+ QG      5.20                
 56 ARG+ HA     56 ARG+ QG      3.88                
 56 ARG+ HA     57 MET  HN      2.93                
 56 ARG+ QG     57 MET  HN      5.20                
 57 MET  HN     57 MET  QG      4.95                
 57 MET  HN     57 MET  QE      5.07                
 57 MET  QG     58 PRO  QD      6.23                
 57 MET  QE     58 PRO  QD      5.61                
 58 PRO  HA     59 GLY  HN      3.14                
 58 PRO  HA     61 ASP- HB2     3.55                
 58 PRO  HA     61 ASP- HB3     3.55                
 58 PRO  HB2    59 GLY  HN      3.73                
 58 PRO  HB3    59 GLY  HN      3.73                
 58 PRO  QG     59 GLY  HN      5.42                
 58 PRO  QD     60 MET  HN      5.76                
 59 GLY  HN     60 MET  HN      3.58                
 59 GLY  HA1    60 MET  HN      3.48                
 59 GLY  HA2    60 MET  HN      3.48                
 59 GLY  QA     60 MET  HN      3.13                
 60 MET  HN     60 MET  HB2     3.08                
 60 MET  HN     60 MET  HB3     3.08                
 60 MET  HN     60 MET  QE      5.35                
 60 MET  HN     61 ASP- HN      3.42                
 60 MET  HB2    61 ASP- HN      3.58                
 60 MET  HB3    61 ASP- HN      3.58                
 60 MET  QB     61 ASP- HN      3.37                
 60 MET  QE     61 ASP- HN      5.13                
 60 MET  QE     61 ASP- HA      4.54                
 60 MET  QE     62 GLY  HN      4.95                
 60 MET  QE     62 GLY  HA1     5.29                
 60 MET  QE     62 GLY  HA2     5.29                
 60 MET  QE     62 GLY  QA      4.97                
 61 ASP- HN     61 ASP- HB2     3.48                
 61 ASP- HN     61 ASP- HB3     3.48                
 61 ASP- HN     61 ASP- QB      3.25                
 61 ASP- HN     64 ALA  QB      4.70                
 61 ASP- HA     62 GLY  HN      3.55                
 61 ASP- HB2    62 GLY  HN      3.79                
 61 ASP- HB3    62 GLY  HN      3.79                
 61 ASP- QB     62 GLY  HN      3.58                
 62 GLY  HN     63 LEU  QQD     7.01                
 62 GLY  QA     63 LEU  QQD     6.65                
 63 LEU  HN     63 LEU  HB2     3.30                
 63 LEU  HN     63 LEU  HB3     3.30                
 63 LEU  HN     63 LEU  QB      3.09                
 63 LEU  HN     63 LEU  QD1     5.32                
 63 LEU  HN     63 LEU  QD2     5.32                
 63 LEU  HN     63 LEU  QQD     4.60                
 63 LEU  HN     64 ALA  HN      3.14                
 63 LEU  HA     63 LEU  QD1     4.64                
 63 LEU  HA     63 LEU  QD2     4.64                
 63 LEU  HA     63 LEU  QQD     3.98                
 63 LEU  QB     64 ALA  HN      4.14                
 63 LEU  HG     64 ALA  HN      4.26                
 63 LEU  HG     89 ALA  HN      4.66                
 63 LEU  QD1    64 ALA  HN      5.91                
 63 LEU  QD2    64 ALA  HN      5.91                
 63 LEU  QQD    64 ALA  HN      5.31                
 63 LEU  QQD    65 LEU  HN      6.55                
 63 LEU  QQD    93 ALA  HN      6.86                
 64 ALA  HN     65 LEU  HN      5.50                
 64 ALA  QB     66 LEU  HN      4.98                
 64 ALA  QB     68 GLN  HE21    6.25                
 64 ALA  QB     68 GLN  HE22    6.25                
 64 ALA  QB     68 GLN  QE2     5.97                
 65 LEU  HN     66 LEU  HN      3.55                
 66 LEU  HN     67 LYS+ HN      3.45                
 66 LEU  HA     67 LYS+ HN      3.42                
 66 LEU  HA     69 ILE  HN      3.92                
 67 LYS+ HN     67 LYS+ HA      2.87                
 67 LYS+ HN     67 LYS+ HB2     2.65                
 67 LYS+ HN     67 LYS+ HG2     4.45                
 67 LYS+ HN     67 LYS+ HG3     4.45                
 67 LYS+ HN     67 LYS+ QG      3.98                
 67 LYS+ HN     67 LYS+ QD      5.04                
 67 LYS+ HA     67 LYS+ HB2     2.77                
 67 LYS+ HA     67 LYS+ HG2     3.95                
 67 LYS+ HA     67 LYS+ HG3     3.95                
 67 LYS+ HA     67 LYS+ QD      4.76                
 67 LYS+ HA     67 LYS+ QE      5.54                
 67 LYS+ HA     70 LYS+ HN      3.61                
 67 LYS+ HA     70 LYS+ QB      4.11                
 67 LYS+ HA     70 LYS+ QG      3.99                
 67 LYS+ HB2    68 GLN  HN      2.80                
 67 LYS+ QG     68 GLN  HN      5.26                
 68 GLN  HN     68 GLN  HA      2.83                
 68 GLN  HN     68 GLN  HB2     2.96                
 68 GLN  HN     68 GLN  HB3     2.87                
 68 GLN  HN     68 GLN  QG      6.38                
 68 GLN  HN     69 ILE  HN      3.30                
 68 GLN  HA     68 GLN  HB2     2.62                
 68 GLN  HA     68 GLN  QG      3.61                
 68 GLN  HA     68 GLN  QE2     5.81                
 68 GLN  HA     71 GLN  QG      3.87                
 68 GLN  HB3    68 GLN  QG      2.62                
 68 GLN  HB3    69 ILE  HN      3.30                
 68 GLN  QG     69 ILE  HN      5.38                
 68 GLN  HE21   69 ILE  HB      4.72                
 68 GLN  HE21   69 ILE  HG12    7.07                
 68 GLN  HE21   69 ILE  HG13    7.07                
 68 GLN  HE22   69 ILE  HB      4.72                
 68 GLN  HE22   69 ILE  HG12    7.07                
 68 GLN  HE22   69 ILE  HG13    7.07                
 68 GLN  QE2    69 ILE  HB      4.57                
 68 GLN  QE2    69 ILE  QG1     6.02                
 69 ILE  HN     69 ILE  HB      3.02                
 69 ILE  HN     69 ILE  QG2     4.61                
 69 ILE  HN     69 ILE  HG12    4.29                
 69 ILE  HN     69 ILE  HG13    4.29                
 69 ILE  HN     69 ILE  QG1     3.82                
 69 ILE  HN     69 ILE  QD1     5.35                
 69 ILE  HN     70 LYS+ HN      3.45                
 69 ILE  HA     69 ILE  QG1     3.85                
 69 ILE  HA     69 ILE  QD1     4.76                
 69 ILE  HA     72 ARG+ QB      5.32                
 69 ILE  HA     73 HIS  HD2     4.32                
 69 ILE  HB     70 LYS+ HN      3.76                
 69 ILE  QG2    70 LYS+ HN      4.76                
 69 ILE  QG2    70 LYS+ QG      5.85                
 69 ILE  QG2    73 HIS  HN      5.44                
 69 ILE  QG2    73 HIS  QB      7.40                
 69 ILE  QG2    96 GLN  HA      5.10                
 69 ILE  QG2    98 ALA  HN      4.88                
 70 LYS+ HN     70 LYS+ HG2     4.69                
 70 LYS+ HN     70 LYS+ HG3     4.69                
 70 LYS+ HN     70 LYS+ QD      5.91                
 70 LYS+ HN     71 GLN  HN      3.42                
 70 LYS+ HA     70 LYS+ HD2     3.61                
 70 LYS+ HA     70 LYS+ HD3     3.61                
 70 LYS+ HA     73 HIS  HN      3.67                
 70 LYS+ HA     74 PRO  HA      2.99                
 70 LYS+ QD     71 GLN  HN      5.01                
 70 LYS+ QD     74 PRO  HA      5.23                
 71 GLN  HN     71 GLN  HA      2.90                
 71 GLN  HN     71 GLN  HG2     3.42                
 71 GLN  HN     71 GLN  HG3     3.42                
 71 GLN  HA     71 GLN  HB2     2.77                
 71 GLN  HA     71 GLN  HB3     2.77                
 71 GLN  HA     71 GLN  QB      2.47                
 71 GLN  HA     71 GLN  QG      3.68                
 71 GLN  HA     71 GLN  HE21    5.50                
 71 GLN  HA     71 GLN  HE22    5.50                
 71 GLN  HA     74 PRO  QB      4.61                
 71 GLN  HA     74 PRO  QD      3.71                
 71 GLN  QB     72 ARG+ HN      4.14                
 72 ARG+ HN     72 ARG+ HG2     4.38                
 72 ARG+ HN     72 ARG+ HG3     4.38                
 72 ARG+ HN     72 ARG+ QG      4.20                
 72 ARG+ HN     72 ARG+ HD2     4.63                
 72 ARG+ HN     72 ARG+ HD3     4.63                
 72 ARG+ HN     72 ARG+ QD      4.42                
 72 ARG+ HN     73 HIS  HN      3.17                
 72 ARG+ HA     72 ARG+ HG2     3.61                
 72 ARG+ HA     72 ARG+ HG3     3.61                
 72 ARG+ HA     72 ARG+ QG      3.41                
 72 ARG+ HA     72 ARG+ HD2     4.54                
 72 ARG+ HA     72 ARG+ HD3     4.54                
 72 ARG+ HA     72 ARG+ QD      4.28                
 72 ARG+ HA     73 HIS  HN      3.52                
 72 ARG+ QG     73 HIS  HN      4.27                
 72 ARG+ QD     73 HIS  HD2     5.38                
 73 HIS  HN     73 HIS  HD2     4.54                
 73 HIS  HN     74 PRO  QG      5.48                
 73 HIS  HN     74 PRO  HD2     4.82                
 73 HIS  HN     74 PRO  HD3     4.82                
 73 HIS  HN     74 PRO  QD      4.49                
 73 HIS  HA     74 PRO  HD2     3.36                
 73 HIS  HA     74 PRO  HD3     3.36                
 73 HIS  HA     74 PRO  QD      3.17                
 73 HIS  HA     76 LEU  QQD     6.76                
 73 HIS  QB     76 LEU  HN      4.89                
 73 HIS  QB     76 LEU  HB2     6.25                
 73 HIS  QB     76 LEU  HB3     6.25                
 73 HIS  QB     76 LEU  QQD     7.70                
 73 HIS  HE1    78 VAL  QQG     6.51                
 75 MET  HN     75 MET  HB2     3.24                
 75 MET  HN     75 MET  HB3     3.24                
 75 MET  HN     75 MET  QB      2.96                
 75 MET  HN     75 MET  HG2     4.14                
 75 MET  HN     75 MET  HG3     4.14                
 75 MET  HN     75 MET  QG      3.93                
 75 MET  HN     76 LEU  HN      3.24                
 75 MET  HN     76 LEU  QB      4.67                
 75 MET  HA     75 MET  HB2     2.90                
 75 MET  HA     75 MET  HB3     2.90                
 75 MET  HA     75 MET  HG2     3.92                
 75 MET  HA     75 MET  HG3     3.92                
 75 MET  HA     75 MET  QG      3.57                
 75 MET  HA     76 LEU  HN      3.55                
 75 MET  QB     76 LEU  HN      4.36                
 76 LEU  HN     76 LEU  HB2     3.21                
 76 LEU  HN     76 LEU  HB3     3.21                
 76 LEU  HN     76 LEU  QB      2.93                
 76 LEU  HN     76 LEU  QQD     6.86                
 76 LEU  HN     77 PRO  QD      6.38                
 76 LEU  HA     76 LEU  HG      3.45                
 76 LEU  QB     77 PRO  QD      6.88                
 76 LEU  QQD    77 PRO  QD      7.42                
 77 PRO  HA     78 VAL  HN      3.05                
 77 PRO  QB     78 VAL  HN      4.16                
 77 PRO  QB     78 VAL  QQG     7.69                
 77 PRO  QB     99 PHE  QD      8.50                
 77 PRO  QG    115 VAL  QQG     6.73                
 77 PRO  QG    118 ALA  QB      5.64                
 78 VAL  HN     78 VAL  HB      3.42                
 78 VAL  HN     79 ILE  HN      3.79                
 78 VAL  HN     98 ALA  QB      6.22                
 78 VAL  HA     79 ILE  HN      3.24                
 78 VAL  HB     79 ILE  HN      3.73                
 78 VAL  HB     98 ALA  QB      5.10                
 78 VAL  QG1    79 ILE  HN      6.53                
 78 VAL  QG2    79 ILE  HN      6.53                
 78 VAL  QQG    79 ILE  HN      5.52                
 78 VAL  QQG    97 GLY  QA      7.38                
 78 VAL  QQG    98 ALA  HN      6.32                
 78 VAL  QQG    98 ALA  QB      7.63                
 79 ILE  HN     79 ILE  HB      3.27                
 79 ILE  HN     79 ILE  QD1     6.06                
 79 ILE  HN    100 ASP- HN      3.61                
 79 ILE  HA     80 ILE  HN      3.21                
 79 ILE  HA     80 ILE  QG2     5.10                
 79 ILE  HA    100 ASP- HN      3.52                
 79 ILE  HB     80 ILE  HN      3.39                
 79 ILE  HB    101 TYR  HA      4.94                
 79 ILE  HB    114 LEU  QQD     6.27                
 79 ILE  QG2    80 ILE  HN      4.85                
 79 ILE  QG2   100 ASP- QB      5.82                
 79 ILE  QG2   102 LEU  HN      5.47                
 79 ILE  QG2   114 LEU  QQD     9.13                
 79 ILE  QD1    80 ILE  HN      5.16                
 79 ILE  QD1   102 LEU  HG      4.51                
 79 ILE  QD1   106 PHE  QE      7.81                
 79 ILE  QD1   114 LEU  QB      5.64                
 80 ILE  HN     80 ILE  HB      3.08                
 80 ILE  HN    100 ASP- QB      5.79                
 80 ILE  HN    101 TYR  HA      3.76                
 80 ILE  HN    101 TYR  QD      7.64                
 80 ILE  HA     80 ILE  QD1     4.17                
 80 ILE  HA     81 MET  HN      3.17                
 80 ILE  HB    102 LEU  HN      4.54                
 80 ILE  QG2    81 MET  HN      4.57                
 80 ILE  QG2    93 ALA  QB      5.57                
 80 ILE  QG2   101 TYR  HA      5.75                
 80 ILE  QG2   101 TYR  QD      7.40                
 80 ILE  QG2   101 TYR  QE      7.76                
 80 ILE  QD1    81 MET  HN      4.76                
 81 MET  HN     81 MET  HB2     3.52                
 81 MET  HN     81 MET  HB3     3.64                
 81 MET  HN     81 MET  HG2     4.51                
 81 MET  HN     81 MET  HG3     4.51                
 81 MET  HN     81 MET  QG      4.18                
 81 MET  HN     82 THR  HN      3.98                
 81 MET  HN     82 THR  QG2     5.47                
 81 MET  HN     89 ALA  QB      5.91                
 81 MET  HA     82 THR  HN      3.21                
 81 MET  HA    102 LEU  HN      3.39                
 81 MET  HA    102 LEU  HB2     4.51                
 81 MET  HA    102 LEU  HB3     4.51                
 81 MET  HB2    82 THR  HN      5.50                
 81 MET  HB3    82 THR  HN      3.61                
 81 MET  HB3   102 LEU  QB      5.42                
 82 THR  HN     83 ALA  QB      5.85                
 82 THR  HN    103 PRO  HA      3.61                
 82 THR  HN    104 LYS+ HN      3.76                
 82 THR  HA     82 THR  HB      3.05                
 82 THR  HA     83 ALA  HN      3.58                
 82 THR  QG2   101 TYR  QE      7.08                
 83 ALA  QB    104 LYS+ HA      5.04                
 85 SER  HA     85 SER  QB      2.69                
 85 SER  HA     87 LEU  QQD     6.64                
 86 ASP  HN     87 LEU  HA      3.73                
 86 ASP  HN     87 LEU  QQD     7.42                
 86 ASP  HN     88 ASP- HN      5.50                
 86 ASP  HA     88 ASP- HN      4.01                
 87 LEU  HA     87 LEU  HG      2.99                
 87 LEU  HA     88 ASP- HN      3.55                
 87 LEU  HA     90 ALA  QB      4.20                
 87 LEU  QB     88 ASP- HN      4.05                
 87 LEU  QB     91 VAL  QQG     7.91                
 87 LEU  HG     88 ASP- HN      4.20                
 87 LEU  QQD    88 ASP- HN      6.89                
 88 ASP- HN     88 ASP- HA      2.83                
 88 ASP- HN     89 ALA  HN      3.11                
 88 ASP- HN     89 ALA  QB      4.85                
 88 ASP- HN     90 ALA  HN      3.76                
 88 ASP- HN     91 VAL  QQG     7.22                
 88 ASP- HA     89 ALA  HN      3.52                
 88 ASP- HA     91 VAL  QG1     5.13                
 88 ASP- HA     91 VAL  QG2     5.13                
 88 ASP- HA     92 SER  HN      3.67                
 88 ASP- QB     89 ALA  HN      4.49                
 88 ASP- QB     91 VAL  QQG     8.31                
 89 ALA  HN     90 ALA  HN      3.17                
 89 ALA  HN     90 ALA  QB      5.38                
 89 ALA  HA     90 ALA  HN      3.48                
 89 ALA  HA     91 VAL  QQG     6.72                
 89 ALA  HA     92 SER  HN      5.50                
 90 ALA  HN     91 VAL  HN      3.86                
 90 ALA  HN     91 VAL  QQG     7.03                
 90 ALA  HA     93 ALA  QB      5.41                
 91 VAL  HN     91 VAL  HB      3.73                
 91 VAL  HA     94 TYR  HN      3.64                
 91 VAL  HA     94 TYR  QE      7.63                
 91 VAL  HB     92 SER  HN      3.27                
 91 VAL  QG1    94 TYR  QE      8.07                
 91 VAL  QG2    94 TYR  QE      8.07                
 91 VAL  QQG    92 SER  HN      6.17                
 91 VAL  QQG    92 SER  HA      7.00                
 91 VAL  QQG    93 ALA  HN      6.85                
 91 VAL  QQG    94 TYR  QE      7.82                
 92 SER  HN     92 SER  HB2     3.14                
 92 SER  HN     92 SER  HB3     3.14                
 92 SER  HN     92 SER  QB      2.91                
 92 SER  HN     93 ALA  HN      3.14                
 92 SER  HA     95 GLN  HN      3.76                
 92 SER  HB2    93 ALA  HN      3.55                
 92 SER  HB3    93 ALA  HN      3.55                
 92 SER  QB     93 ALA  HN      3.37                
 93 ALA  HN     94 TYR  HN      3.83                
 93 ALA  HA     96 GLN  HN      3.73                
 93 ALA  QB     95 GLN  HN      6.22                
 93 ALA  QB    101 TYR  QD      7.58                
 93 ALA  QB    101 TYR  QE      8.66                
 94 TYR  HN     95 GLN  HN      3.79                
 94 TYR  HN     95 GLN  HA      5.50                
 94 TYR  HN     95 GLN  QB      4.73                
 94 TYR  HN     95 GLN  QG      5.88                
 95 GLN  HN     95 GLN  QB      3.78                
 95 GLN  HN     95 GLN  QG      5.42                
 95 GLN  HN     96 GLN  HN      3.70                
 95 GLN  HN     96 GLN  QB      4.80                
 95 GLN  HN     96 GLN  QG      4.76                
 95 GLN  HA     96 GLN  HN      3.58                
 95 GLN  QG     96 GLN  HN      5.57                
 95 GLN  QG     96 GLN  QG      4.80                
 96 GLN  HN     96 GLN  HB2     3.70                
 96 GLN  HN     96 GLN  HB3     3.70                
 96 GLN  HN     96 GLN  QB      3.35                
 96 GLN  HN     96 GLN  QG      4.24                
 96 GLN  HN     97 GLY  HN      3.42                
 96 GLN  HN     98 ALA  HN      3.89                
 96 GLN  HN     99 PHE  QE      7.62                
 96 GLN  HA     96 GLN  QG      3.50                
 96 GLN  HA     97 GLY  HN      3.52                
 96 GLN  QG     97 GLY  HN      6.35                
 97 GLY  HN     98 ALA  HN      3.30                
 98 ALA  HA     99 PHE  HN      3.45                
 98 ALA  HA    100 ASP- HN      3.52                
 98 ALA  QB    100 ASP- HN      5.47                
 98 ALA  QB    101 TYR  HA      5.41                
 99 PHE  QD    100 ASP- HN      7.62                
 99 PHE  QD    118 ALA  HA      7.09                
 99 PHE  HZ    118 ALA  HA      3.67                
100 ASP- HN    100 ASP- HB2     3.61                
100 ASP- HN    100 ASP- HB3     3.61                
100 ASP- HB2   118 ALA  QB      5.63                
100 ASP- HB3   118 ALA  QB      5.63                
100 ASP- QB    102 LEU  QQD     7.73                
101 TYR  HA    102 LEU  HN      3.05                
101 TYR  QD    102 LEU  HN      7.55                
101 TYR  QD    103 PRO  QG      7.96                
101 TYR  QE    103 PRO  HG2     7.63                
101 TYR  QE    103 PRO  HG3     7.63                
101 TYR  QE    103 PRO  QG      7.17                
102 LEU  HN    102 LEU  HB2     3.55                
102 LEU  HN    102 LEU  HB3     3.55                
102 LEU  HN    102 LEU  QB      3.37                
102 LEU  HN    102 LEU  HG      4.72                
102 LEU  HN    102 LEU  QQD     7.26                
102 LEU  HN    114 LEU  QD1     6.06                
102 LEU  HN    114 LEU  QD2     6.06                
102 LEU  HN    114 LEU  QQD     5.47                
102 LEU  HA    102 LEU  QD1     5.47                
102 LEU  HA    102 LEU  QD2     5.47                
102 LEU  HA    103 PRO  QD      3.72                
102 LEU  HG    106 PHE  QE      7.62                
102 LEU  HG    106 PHE  HZ      4.01                
102 LEU  QD1   103 PRO  HD2     8.86                
102 LEU  QD1   103 PRO  HD3     8.86                
102 LEU  QD1   106 PHE  QE      8.53                
102 LEU  QD1   111 ALA  HA      4.92                
102 LEU  QD2   103 PRO  HD2     8.86                
102 LEU  QD2   103 PRO  HD3     8.86                
102 LEU  QD2   106 PHE  QE      8.53                
102 LEU  QD2   111 ALA  HA      4.92                
102 LEU  QQD   103 PRO  QD      7.16                
102 LEU  QQD   106 PHE  QD      9.82                
102 LEU  QQD   106 PHE  QE      8.32                
102 LEU  QQD   110 GLU- QB      7.18                
102 LEU  QQD   111 ALA  HA      4.45                
102 LEU  QQD   111 ALA  QB      7.54                
102 LEU  QQD   112 VAL  HA      6.27                
102 LEU  QQD   114 LEU  QB      7.89                
102 LEU  QQD   114 LEU  QQD     8.37                
103 PRO  HA    104 LYS+ HN      3.08                
103 PRO  HA    106 PHE  QE      7.40                
103 PRO  HB2   104 LYS+ HN      3.86                
103 PRO  HB3   104 LYS+ HN      3.86                
103 PRO  QB    104 LYS+ HN      3.57                
104 LYS+ HA    104 LYS+ QE      5.32                
104 LYS+ HA    106 PHE  QD      6.82                
106 PHE  HA    107 ASP- HN      2.83                
106 PHE  HB2   107 ASP- HN      3.33                
106 PHE  HB3   107 ASP- HN      3.33                
106 PHE  QB    107 ASP- HN      3.13                
106 PHE  QD    107 ASP- HN      7.50                
106 PHE  QD    108 ILE  HA      6.51                
106 PHE  QD    108 ILE  QD1     8.28                
106 PHE  QE    108 ILE  HA      7.34                
106 PHE  QE    108 ILE  QD1     7.56                
106 PHE  QE    114 LEU  QQD     8.79                
107 ASP- HN    107 ASP- HB2     3.05                
107 ASP- HN    107 ASP- HB3     3.05                
107 ASP- HN    110 GLU- HN      3.89                
107 ASP- HN    110 GLU- QB      4.36                
107 ASP- HA    108 ILE  HN      2.96                
107 ASP- HB2   108 ILE  HN      3.64                
107 ASP- HB2   110 GLU- HN      3.58                
107 ASP- HB2   110 GLU- HG2     5.50                
107 ASP- HB2   110 GLU- HG3     5.50                
107 ASP- HB3   108 ILE  HN      3.11                
107 ASP- HB3   110 GLU- HN      3.61                
107 ASP- HB3   110 GLU- QB      4.98                
107 ASP- HB3   110 GLU- HG2     5.50                
107 ASP- HB3   110 GLU- HG3     5.50                
108 ILE  HN    108 ILE  HB      2.87                
108 ILE  HN    108 ILE  QG2     4.57                
108 ILE  HN    108 ILE  HG12    4.20                
108 ILE  HN    108 ILE  HG13    4.20                
108 ILE  HN    108 ILE  QG1     4.03                
108 ILE  HN    108 ILE  QD1     5.54                
108 ILE  HN    109 ASP- HN      3.48                
108 ILE  HA    108 ILE  HB      2.93                
108 ILE  HA    108 ILE  HG12    4.17                
108 ILE  HA    108 ILE  HG13    4.17                
108 ILE  HA    108 ILE  QG1     3.84                
108 ILE  HA    108 ILE  QD1     4.20                
108 ILE  HA    110 GLU- HN      5.50                
108 ILE  HA    111 ALA  HN      3.39                
108 ILE  HA    112 VAL  HN      4.07                
108 ILE  HB    109 ASP- HN      3.24                
108 ILE  QG2   109 ASP- HN      4.39                
108 ILE  QG2   109 ASP- HA      5.44                
108 ILE  QG2   109 ASP- HB3     6.09                
108 ILE  QG1   109 ASP- HN      5.38                
108 ILE  QD1   111 ALA  QB      4.46                
109 ASP- HN    109 ASP- HA      2.83                
109 ASP- HN    109 ASP- HB2     2.90                
109 ASP- HN    109 ASP- HB3     2.99                
109 ASP- HA    109 ASP- HB2     2.87                
109 ASP- HA    109 ASP- HB3     2.99                
109 ASP- HA    110 GLU- HN      3.61                
109 ASP- HA    112 VAL  HN      3.55                
109 ASP- HA    112 VAL  HB      2.93                
109 ASP- HA    112 VAL  QG2     4.30                
109 ASP- HA    113 ALA  HN      3.33                
109 ASP- HB2   110 GLU- HN      3.11                
109 ASP- HB3   110 GLU- HN      3.52                
110 GLU- HN    110 GLU- HA      2.80                
110 GLU- HN    110 GLU- QB      3.46                
110 GLU- HN    110 GLU- HG2     5.50                
110 GLU- HN    110 GLU- HG3     5.50                
110 GLU- HN    110 GLU- QG      4.72                
110 GLU- HN    111 ALA  HN      3.17                
110 GLU- HA    110 GLU- HB2     2.93                
110 GLU- HA    110 GLU- HB3     2.93                
110 GLU- HA    110 GLU- QB      2.60                
110 GLU- HA    113 ALA  QB      4.33                
110 GLU- QB    111 ALA  HN      3.90                
111 ALA  HN    111 ALA  HA      2.90                
111 ALA  HN    112 VAL  HN      2.83                
111 ALA  HA    112 VAL  HN      3.58                
111 ALA  HA    114 LEU  HN      3.42                
111 ALA  HA    114 LEU  QB      4.67                
111 ALA  HA    114 LEU  QD1     4.95                
111 ALA  HA    114 LEU  QD2     4.95                
111 ALA  HA    114 LEU  QQD     4.15                
112 VAL  HN    112 VAL  HB      2.87                
112 VAL  HN    112 VAL  QG1     4.30                
112 VAL  HN    112 VAL  QG2     3.74                
112 VAL  HN    113 ALA  HN      3.17                
112 VAL  HN    113 ALA  QB      5.01                
112 VAL  HA    112 VAL  QG1     3.77                
112 VAL  HA    113 ALA  HN      3.61                
112 VAL  HA    115 VAL  HN      3.39                
112 VAL  HA    115 VAL  HB      3.30                
112 VAL  HB    113 ALA  HN      2.99                
112 VAL  QG1   113 ALA  HN      4.57                
112 VAL  QG1   113 ALA  HA      4.76                
112 VAL  QG1   116 GLU- HG2     4.54                
112 VAL  QG1   116 GLU- HG3     4.54                
112 VAL  QG1   116 GLU- QG      4.30                
112 VAL  QG2   113 ALA  HN      4.54                
113 ALA  HN    113 ALA  HA      2.83                
113 ALA  HN    113 ALA  QB      3.64                
113 ALA  HN    114 LEU  HN      3.08                
113 ALA  HA    114 LEU  HN      3.45                
113 ALA  HA    116 GLU- HN      3.30                
113 ALA  HA    116 GLU- QB      3.96                
113 ALA  HA    116 GLU- QG      5.23                
113 ALA  QB    114 LEU  HN      4.36                
114 LEU  HN    114 LEU  QB      3.90                
114 LEU  HN    114 LEU  QD1     5.19                
114 LEU  HN    114 LEU  QD2     5.19                
114 LEU  HN    114 LEU  QQD     4.70                
114 LEU  HN    115 VAL  HB      5.50                
114 LEU  HN    115 VAL  QQG     6.51                
114 LEU  HA    114 LEU  QD1     5.01                
114 LEU  HA    114 LEU  QD2     5.01                
114 LEU  HA    114 LEU  QQD     4.23                
114 LEU  HA    115 VAL  HN      3.48                
114 LEU  HA    117 ARG+ QB      4.24                
114 LEU  QB    115 VAL  HN      4.33                
114 LEU  QB    115 VAL  HB      5.57                
114 LEU  HG    117 ARG+ QG      3.28                
114 LEU  QQD   117 ARG+ QG      6.12                
115 VAL  HN    115 VAL  HB      2.99                
115 VAL  HN    115 VAL  QG1     4.20                
115 VAL  HN    115 VAL  QG2     4.20                
115 VAL  HN    115 VAL  QQG     3.74                
115 VAL  HN    116 GLU- HN      3.30                
115 VAL  HN    116 GLU- HB2     5.50                
115 VAL  HN    116 GLU- HB3     5.50                
115 VAL  HN    117 ARG+ QG      5.48                
115 VAL  HA    118 ALA  HN      4.23                
115 VAL  HB    116 GLU- HN      5.50                
115 VAL  QG1   116 GLU- HN      5.19                
115 VAL  QG1   118 ALA  HN      6.53                
115 VAL  QG2   116 GLU- HN      5.19                
115 VAL  QG2   118 ALA  HN      6.53                
115 VAL  QQG   116 GLU- HN      4.59                
115 VAL  QQG   116 GLU- HA      5.86                
115 VAL  QQG   118 ALA  HN      5.65                
116 GLU- HN    116 GLU- QB      3.61                
116 GLU- HN    116 GLU- HG2     3.70                
116 GLU- HN    116 GLU- HG3     3.70                
116 GLU- HN    116 GLU- QG      3.46                
116 GLU- HN    117 ARG+ HN      3.27                
116 GLU- HA    116 GLU- HG2     4.04                
116 GLU- HA    116 GLU- HG3     4.04                
116 GLU- HA    116 GLU- QG      3.49                
116 GLU- HA    117 ARG+ HN      3.64                
116 GLU- HA    119 ILE  HN      3.52                
116 GLU- HA    119 ILE  QG2     4.70                
116 GLU- HA    119 ILE  QD1     4.45                
116 GLU- QB    117 ARG+ HN      3.90                
116 GLU- QG    117 ARG+ HN      5.57                
117 ARG+ HN    117 ARG+ HA      2.90                
117 ARG+ HN    117 ARG+ QB      3.83                
117 ARG+ HN    117 ARG+ QD      5.97                
117 ARG+ HA    117 ARG+ HG2     4.01                
117 ARG+ HA    117 ARG+ HG3     4.01                
117 ARG+ HA    117 ARG+ QG      3.79                
117 ARG+ HA    117 ARG+ QD      5.60                
117 ARG+ HA    119 ILE  HN      3.95                
117 ARG+ HA    120 SER  HN      3.86                
117 ARG+ QB    118 ALA  HN      4.27                
117 ARG+ QG    118 ALA  HN      5.01                
117 ARG+ QG    118 ALA  HA      5.32                
117 ARG+ QD    118 ALA  HN      5.60                
118 ALA  HN    119 ILE  HN      3.11                
118 ALA  HA    120 SER  HN      5.50                
118 ALA  HA    121 HIS  QB      4.30                
118 ALA  QB    119 ILE  QG1     5.02                
119 ILE  HN    119 ILE  HB      2.99                
119 ILE  HN    119 ILE  QG2     4.11                
119 ILE  HN    119 ILE  HG12    3.58                
119 ILE  HN    119 ILE  HG13    3.58                
119 ILE  HN    119 ILE  QG1     3.39                
119 ILE  HN    119 ILE  QD1     4.64                
119 ILE  HN    121 HIS  HN      3.48                
119 ILE  HA    119 ILE  QD1     4.92                
119 ILE  HA    120 SER  HN      3.52                
119 ILE  HA    122 TYR  QB      4.64                
119 ILE  HB    120 SER  HN      3.30                
119 ILE  QG2   120 SER  HN      4.82                
119 ILE  QG2   120 SER  HA      5.07                
119 ILE  QG1   120 SER  HN      5.38                
120 SER  HA    121 HIS  HN      3.52                
120 SER  HA    123 GLN  HB3     3.48                
121 HIS  HN    121 HIS  HA      2.87                
121 HIS  HN    121 HIS  HB2     3.30                
121 HIS  HN    121 HIS  HB3     3.30                
121 HIS  HN    121 HIS  QB      3.01                
121 HIS  HN    122 TYR  HN      3.17                
121 HIS  HN    122 TYR  QB      6.38                
121 HIS  HA    122 TYR  HN      3.48                
122 TYR  HN    122 TYR  HA      2.93                
122 TYR  HN    122 TYR  HB2     3.05                
122 TYR  HN    122 TYR  HB3     3.05                
122 TYR  HA    122 TYR  HB2     2.99                
122 TYR  HA    122 TYR  HB3     2.99                
122 TYR  HB2   123 GLN  HN      3.92                
122 TYR  HB3   123 GLN  HN      3.92                
122 TYR  QB    123 GLN  HN      3.60                
122 TYR  QD    123 GLN  HN      7.61                
123 GLN  HN    123 GLN  HB2     2.99                
123 GLN  HN    123 GLN  HB3     3.17                
123 GLN  HN    123 GLN  QG      4.89                
123 GLN  HA    123 GLN  HB2     2.77                
123 GLN  HA    123 GLN  HB3     3.02                
123 GLN  HA    124 GLU- HN      2.59                
123 GLN  QG    124 GLU- HN      5.69                
124 GLU- HN    124 GLU- HA      2.87                
124 GLU- HN    124 GLU- HB2     3.39                
124 GLU- HN    124 GLU- HB3     2.93                
124 GLU- HA    124 GLU- HB2     2.59                
124 GLU- HA    124 GLU- HB3     2.71                

  Entry H atom name         Submitted Coord H atom name
    1    H    MET   1           H        MET   1 -18.364  11.664  11.258
    2    HA   MET   1           HA       MET   1 -17.113  13.616  12.843
    3   1HB   MET   1          1HB       MET   1 -18.590  11.085  13.154
    4   2HB   MET   1          2HB       MET   1 -17.261  11.162  14.294
    5   1HG   MET   1          1HG       MET   1 -18.987  12.232  15.490
    6   2HG   MET   1          2HG       MET   1 -18.126  13.596  14.806
    7   1HE   MET   1          1HE       MET   1 -22.124  12.548  14.946
    8   2HE   MET   1          2HE       MET   1 -20.809  13.116  16.003
    9   3HE   MET   1          3HE       MET   1 -21.807  14.292  15.114
   10    H    GLN   2           H        GLN   2 -16.212  10.191  12.002
   11    HA   GLN   2           HA       GLN   2 -13.447  11.020  12.263
   12   1HB   GLN   2          1HB       GLN   2 -14.818   8.821  13.813
   13   2HB   GLN   2          2HB       GLN   2 -13.140   8.609  13.358
   14   1HG   GLN   2          1HG       GLN   2 -14.189  11.071  14.829
   15   2HG   GLN   2          2HG       GLN   2 -13.499   9.680  15.641
   16   1HE2  GLN   2          1HE2      GLN   2 -11.396   9.593  15.947
   17   2HE2  GLN   2          2HE2      GLN   2 -10.196  10.596  15.203
   18    H    ARG   3           H        ARG   3 -12.140  10.186  10.645
   19    HA   ARG   3           HA       ARG   3 -13.209   7.926   9.183
   20   1HB   ARG   3          1HB       ARG   3 -12.715   9.011   7.017
   21   2HB   ARG   3          2HB       ARG   3 -13.840   9.996   7.929
   22   1HG   ARG   3          1HG       ARG   3 -11.595  11.154   8.829
   23   2HG   ARG   3          2HG       ARG   3 -10.917  10.495   7.353
   24   1HD   ARG   3          1HD       ARG   3 -12.096  11.942   5.999
   25   2HD   ARG   3          2HD       ARG   3 -13.543  11.855   6.984
   26    HE   ARG   3           HE       ARG   3 -11.541  13.242   8.477
   27   1HH1  ARG   3          2HH2      ARG   3 -13.543  13.687   5.619
   28   2HH1  ARG   3          1HH2      ARG   3 -13.567  15.415   5.748
   29   1HH2  ARG   3          2HH1      ARG   3 -11.572  15.520   8.649
   30   2HH2  ARG   3          1HH1      ARG   3 -12.437  16.464   7.483
   31    H    GLY   4           H        GLY   4 -11.426   7.030   7.608
   32   1HA   GLY   4          1HA       GLY   4  -8.964   7.272   7.211
   33   2HA   GLY   4          2HA       GLY   4  -8.806   7.293   8.956
   34    H    ILE   5           H        ILE   5  -8.358   5.324   6.381
   35    HA   ILE   5           HA       ILE   5  -8.855   2.953   8.006
   36    HB   ILE   5           HB       ILE   5  -9.760   3.336   5.153
   37   1HG1  ILE   5          1HG1      ILE   5 -11.891   2.347   6.487
   38   2HG1  ILE   5          2HG1      ILE   5 -11.122   3.226   7.793
   39   1HG2  ILE   5          1HG2      ILE   5 -10.457   0.980   5.221
   40   2HG2  ILE   5          2HG2      ILE   5  -8.693   1.160   5.366
   41   3HG2  ILE   5          3HG2      ILE   5  -9.672   0.798   6.808
   42   1HD1  ILE   5          1HD1      ILE   5 -12.809   4.536   6.341
   43   2HD1  ILE   5          2HD1      ILE   5 -11.230   5.310   6.620
   44   3HD1  ILE   5          3HD1      ILE   5 -11.565   4.504   5.068
   45    H    VAL   6           H        VAL   6  -7.449   1.142   7.443
   46    HA   VAL   6           HA       VAL   6  -5.195   1.935   5.745
   47    HB   VAL   6           HB       VAL   6  -3.938   0.500   7.631
   48   1HG1  VAL   6          1HG1      VAL   6  -3.346   2.762   8.680
   49   2HG1  VAL   6          2HG1      VAL   6  -3.066   2.581   6.932
   50   3HG1  VAL   6          3HG1      VAL   6  -4.490   3.472   7.518
   51   1HG2  VAL   6          1HG2      VAL   6  -5.719   2.148   9.392
   52   2HG2  VAL   6          2HG2      VAL   6  -6.278   0.542   8.867
   53   3HG2  VAL   6          3HG2      VAL   6  -4.754   0.701   9.774
   54    H    TRP   7           H        TRP   7  -4.790   0.439   4.199
   55    HA   TRP   7           HA       TRP   7  -5.887  -2.250   4.668
   56   1HB   TRP   7          1HB       TRP   7  -5.967  -0.422   2.361
   57   2HB   TRP   7          2HB       TRP   7  -5.523  -2.071   1.968
   58    HD1  TRP   7           HD       TRP   7  -7.840  -2.202   4.864
   59    HE1  TRP   7          1HE       TRP   7 -10.321  -2.802   4.194
   60    HE3  TRP   7          3HE       TRP   7  -7.232  -1.447  -0.128
   61    HZ2  TRP   7          2HZ       TRP   7 -11.720  -2.891   1.707
   62    HZ3  TRP   7          3HZ       TRP   7  -9.205  -1.812  -1.607
   63    HH2  TRP   7           HH       TRP   7 -11.391  -2.510  -0.763
   64    H    VAL   8           H        VAL   8  -4.535  -4.051   4.031
   65    HA   VAL   8           HA       VAL   8  -1.852  -3.449   3.145
   66    HB   VAL   8           HB       VAL   8  -2.472  -4.627   5.856
   67   1HG1  VAL   8          1HG1      VAL   8  -0.676  -5.935   5.638
   68   2HG1  VAL   8          2HG1      VAL   8  -0.282  -5.227   4.053
   69   3HG1  VAL   8          3HG1      VAL   8   0.315  -4.459   5.543
   70   1HG2  VAL   8          1HG2      VAL   8  -2.397  -2.266   6.010
   71   2HG2  VAL   8          2HG2      VAL   8  -0.798  -2.829   6.552
   72   3HG2  VAL   8          3HG2      VAL   8  -0.996  -2.158   4.917
   73    H    VAL   9           H        VAL   9  -0.982  -5.148   1.965
   74    HA   VAL   9           HA       VAL   9  -2.456  -7.677   2.071
   75    HB   VAL   9           HB       VAL   9  -2.460  -7.798  -0.347
   76   1HG1  VAL   9          1HG1      VAL   9  -4.465  -6.819  -0.350
   77   2HG1  VAL   9          2HG1      VAL   9  -4.063  -6.096   1.226
   78   3HG1  VAL   9          3HG1      VAL   9  -3.729  -5.200  -0.275
   79   1HG2  VAL   9          1HG2      VAL   9  -1.001  -5.169  -0.149
   80   2HG2  VAL   9          2HG2      VAL   9  -0.615  -6.608  -1.125
   81   3HG2  VAL   9          3HG2      VAL   9  -1.976  -5.558  -1.587
   82    H    ASP  10           H        ASP  10  -1.090  -9.351   2.412
   83    HA   ASP  10           HA       ASP  10   1.423  -9.397   1.115
   84   1HB   ASP  10          1HB       ASP  10   1.554  -8.006   3.424
   85   2HB   ASP  10          2HB       ASP  10   1.639  -9.613   4.116
   86    H    ASP  11           H        ASP  11   2.709 -11.447   2.423
   87    HA   ASP  11           HA       ASP  11   0.918 -13.324   3.523
   88   1HB   ASP  11          1HB       ASP  11   0.297 -13.586   1.140
   89   2HB   ASP  11          2HB       ASP  11   1.981 -13.786   0.697
   90    H    ASP  12           H        ASP  12   3.507 -11.962   4.067
   91    HA   ASP  12           HA       ASP  12   5.669 -13.547   3.438
   92   1HB   ASP  12          1HB       ASP  12   5.035 -11.326   5.239
   93   2HB   ASP  12          2HB       ASP  12   6.144 -12.439   6.015
   94    H    SER  13           H        SER  13   4.440 -13.119   6.830
   95    HA   SER  13           HA       SER  13   4.051 -15.934   7.109
   96   1HB   SER  13          1HB       SER  13   6.612 -14.982   7.639
   97   2HB   SER  13          2HB       SER  13   5.871 -14.947   9.227
   98    HG   SER  13           HG       SER  13   6.033 -17.073   9.321
   99    H    SER  14           H        SER  14   4.404 -12.689   8.666
  100    HA   SER  14           HA       SER  14   1.820 -12.762   9.666
  101   1HB   SER  14          1HB       SER  14   1.995 -13.369  11.887
  102   2HB   SER  14          2HB       SER  14   3.246 -14.403  11.225
  103    HG   SER  14           HG       SER  14   4.736 -12.485  11.700
  104    H    ILE  15           H        ILE  15   3.383 -10.973   8.142
  105    HA   ILE  15           HA       ILE  15   4.369  -8.931   9.927
  106    HB   ILE  15           HB       ILE  15   4.452  -9.523   7.031
  107   1HG1  ILE  15          1HG1      ILE  15   6.267  -9.875   8.850
  108   2HG1  ILE  15          2HG1      ILE  15   6.732  -9.245   7.282
  109   1HG2  ILE  15          1HG2      ILE  15   4.585  -6.682   8.077
  110   2HG2  ILE  15          2HG2      ILE  15   5.082  -7.210   6.452
  111   3HG2  ILE  15          3HG2      ILE  15   3.380  -7.351   6.951
  112   1HD1  ILE  15          1HD1      ILE  15   6.860  -6.981   8.115
  113   2HD1  ILE  15          2HD1      ILE  15   6.059  -7.432   9.639
  114   3HD1  ILE  15          3HD1      ILE  15   7.708  -8.008   9.296
  115    H    ARG  16           H        ARG  16   1.778  -9.224   7.395
  116    HA   ARG  16           HA       ARG  16   0.667  -6.792   7.781
  117   1HB   ARG  16          1HB       ARG  16  -1.252  -7.647   6.635
  118   2HB   ARG  16          2HB       ARG  16   0.073  -8.643   6.065
  119   1HG   ARG  16          1HG       ARG  16  -1.760  -9.424   8.379
  120   2HG   ARG  16          2HG       ARG  16  -2.009  -9.943   6.724
  121   1HD   ARG  16          1HD       ARG  16   0.598 -10.683   7.001
  122   2HD   ARG  16          2HD       ARG  16   0.113 -10.783   8.683
  123    HE   ARG  16           HE       ARG  16  -0.702 -12.571   6.542
  124   1HH1  ARG  16          2HH2      ARG  16  -1.753 -11.177   9.598
  125   2HH1  ARG  16          1HH2      ARG  16  -2.836 -12.477   9.965
  126   1HH2  ARG  16          2HH1      ARG  16  -2.132 -14.287   7.026
  127   2HH2  ARG  16          1HH1      ARG  16  -3.053 -14.259   8.493
  128    H    TRP  17           H        TRP  17   0.742  -9.517   9.952
  129    HA   TRP  17           HA       TRP  17  -1.650  -8.889  11.377
  130   1HB   TRP  17          1HB       TRP  17  -1.319 -10.932  12.124
  131   2HB   TRP  17          2HB       TRP  17   0.210 -11.009  11.271
  132    HD1  TRP  17           HD       TRP  17   2.139 -11.669  12.890
  133    HE1  TRP  17          1HE       TRP  17   2.807 -11.348  15.422
  134    HE3  TRP  17          3HE       TRP  17  -1.931  -8.897  14.158
  135    HZ2  TRP  17          2HZ       TRP  17   1.587 -10.001  17.622
  136    HZ3  TRP  17          3HZ       TRP  17  -2.117  -8.119  16.519
  137    HH2  TRP  17           HH       TRP  17  -0.442  -8.628  18.224
  138    H    VAL  18           H        VAL  18   1.843  -8.085  11.527
  139    HA   VAL  18           HA       VAL  18   1.433  -6.613  13.997
  140    HB   VAL  18           HB       VAL  18   3.830  -7.329  12.314
  141   1HG1  VAL  18          1HG1      VAL  18   4.263  -5.094  13.108
  142   2HG1  VAL  18          2HG1      VAL  18   3.714  -5.517  14.747
  143   3HG1  VAL  18          3HG1      VAL  18   5.208  -6.234  14.096
  144   1HG2  VAL  18          1HG2      VAL  18   3.997  -9.087  13.674
  145   2HG2  VAL  18          2HG2      VAL  18   4.014  -8.021  15.100
  146   3HG2  VAL  18          3HG2      VAL  18   2.466  -8.609  14.446
  147    H    LEU  19           H        LEU  19   1.696  -6.162  10.498
  148    HA   LEU  19           HA       LEU  19   2.304  -3.389  10.641
  149   1HB   LEU  19          1HB       LEU  19   2.042  -5.427   8.656
  150   2HB   LEU  19          2HB       LEU  19   1.035  -4.070   8.190
  151    HG   LEU  19           HG       LEU  19   3.515  -4.201   7.401
  152   1HD1  LEU  19          1HD1      LEU  19   3.409  -1.985   6.882
  153   2HD1  LEU  19          2HD1      LEU  19   1.720  -2.245   7.384
  154   3HD1  LEU  19          3HD1      LEU  19   2.882  -1.507   8.514
  155   1HD2  LEU  19          1HD2      LEU  19   4.316  -2.551   9.683
  156   2HD2  LEU  19          2HD2      LEU  19   4.008  -4.251  10.111
  157   3HD2  LEU  19          3HD2      LEU  19   5.187  -3.853   8.839
  158    H    GLU  20           H        GLU  20  -0.702  -5.351  10.212
  159    HA   GLU  20           HA       GLU  20  -2.326  -3.078   9.958
  160   1HB   GLU  20          1HB       GLU  20  -3.093  -5.179   9.050
  161   2HB   GLU  20          2HB       GLU  20  -2.907  -5.996  10.590
  162   1HG   GLU  20          1HG       GLU  20  -4.680  -3.621  10.730
  163   2HG   GLU  20          2HG       GLU  20  -5.268  -4.862   9.640
  164    H    ARG  21           H        ARG  21  -0.693  -4.492  12.627
  165    HA   ARG  21           HA       ARG  21  -2.684  -3.698  14.527
  166   1HB   ARG  21          1HB       ARG  21  -0.813  -5.689  14.556
  167   2HB   ARG  21          2HB       ARG  21   0.092  -4.452  15.406
  168   1HG   ARG  21          1HG       ARG  21  -2.491  -4.345  16.557
  169   2HG   ARG  21          2HG       ARG  21  -2.186  -6.056  16.337
  170   1HD   ARG  21          1HD       ARG  21  -0.698  -6.085  18.056
  171   2HD   ARG  21          2HD       ARG  21   0.221  -4.766  17.359
  172    HE   ARG  21           HE       ARG  21  -0.808  -3.322  18.872
  173   1HH1  ARG  21          2HH2      ARG  21  -2.855  -6.155  18.463
  174   2HH1  ARG  21          1HH2      ARG  21  -4.001  -5.657  19.663
  175   1HH2  ARG  21          2HH1      ARG  21  -2.319  -2.666  20.455
  176   2HH2  ARG  21          1HH1      ARG  21  -3.694  -3.659  20.803
  177    H    ALA  22           H        ALA  22   0.204  -2.449  12.962
  178    HA   ALA  22           HA       ALA  22   0.486  -0.358  14.986
  179   1HB   ALA  22          1HB       ALA  22   2.430  -1.795  14.007
  180   2HB   ALA  22          2HB       ALA  22   2.256  -0.764  12.567
  181   3HB   ALA  22          3HB       ALA  22   2.657  -0.035  14.140
  182    H    LEU  23           H        LEU  23  -0.769  -1.065  11.783
  183    HA   LEU  23           HA       LEU  23  -0.762   1.685  10.953
  184   1HB   LEU  23          1HB       LEU  23  -1.431  -0.944   9.811
  185   2HB   LEU  23          2HB       LEU  23  -2.449   0.371   9.258
  186    HG   LEU  23           HG       LEU  23  -0.754   0.291   7.673
  187   1HD1  LEU  23          1HD1      LEU  23  -1.092   2.563   8.951
  188   2HD1  LEU  23          2HD1      LEU  23   0.596   2.290   9.446
  189   3HD1  LEU  23          3HD1      LEU  23   0.179   2.387   7.718
  190   1HD2  LEU  23          1HD2      LEU  23   0.695  -1.310   8.799
  191   2HD2  LEU  23          2HD2      LEU  23   1.639   0.058   8.164
  192   3HD2  LEU  23          3HD2      LEU  23   1.272  -0.038   9.902
  193    H    ALA  24           H        ALA  24  -3.058  -0.700  12.350
  194    HA   ALA  24           HA       ALA  24  -5.315   0.984  12.110
  195   1HB   ALA  24          1HB       ALA  24  -4.832  -1.277  14.086
  196   2HB   ALA  24          2HB       ALA  24  -6.396  -0.679  13.481
  197   3HB   ALA  24          3HB       ALA  24  -5.284  -1.532  12.383
  198    H    GLY  25           H        GLY  25  -2.692   0.588  14.496
  199   1HA   GLY  25          1HA       GLY  25  -4.021   2.238  16.471
  200   2HA   GLY  25          2HA       GLY  25  -2.422   1.529  16.563
  201    H    ALA  26           H        ALA  26  -3.013   3.106  13.534
  202    HA   ALA  26           HA       ALA  26  -1.582   5.481  14.518
  203   1HB   ALA  26          1HB       ALA  26  -0.723   3.560  12.680
  204   2HB   ALA  26          2HB       ALA  26  -1.307   4.897  11.660
  205   3HB   ALA  26          3HB       ALA  26  -0.052   5.195  12.888
  206    H    GLY  27           H        GLY  27  -4.451   4.170  13.151
  207   1HA   GLY  27          1HA       GLY  27  -5.447   6.867  12.640
  208   2HA   GLY  27          2HA       GLY  27  -5.463   5.747  11.293
  209    H    LEU  28           H        LEU  28  -6.938   3.994  11.242
  210    HA   LEU  28           HA       LEU  28  -8.329   2.972  13.361
  211   1HB   LEU  28          1HB       LEU  28 -10.560   4.101  13.042
  212   2HB   LEU  28          2HB       LEU  28  -9.335   4.984  13.932
  213    HG   LEU  28           HG       LEU  28  -9.158   5.696  11.149
  214   1HD1  LEU  28          1HD1      LEU  28 -11.367   5.197  10.676
  215   2HD1  LEU  28          2HD1      LEU  28 -11.927   5.620  12.311
  216   3HD1  LEU  28          3HD1      LEU  28 -11.462   6.904  11.171
  217   1HD2  LEU  28          1HD2      LEU  28  -9.454   6.996  13.792
  218   2HD2  LEU  28          2HD2      LEU  28  -8.348   7.353  12.444
  219   3HD2  LEU  28          3HD2      LEU  28 -10.031   7.931  12.392
  220    H    THR  29           H        THR  29  -9.823   1.349  12.671
  221    HA   THR  29           HA       THR  29 -10.498  -0.232  11.256
  222    HB   THR  29           HB       THR  29 -11.038   2.333   9.695
  223    HG1  THR  29          1HG       THR  29 -12.616   0.255  11.043
  224   1HG2  THR  29          1HG2      THR  29 -11.351   0.967   7.853
  225   2HG2  THR  29          2HG2      THR  29 -11.343  -0.516   8.837
  226   3HG2  THR  29          3HG2      THR  29 -12.823   0.467   8.721
  227    H    CYS  30           H        CYS  30  -9.009  -1.681  10.664
  228    HA   CYS  30           HA       CYS  30  -7.418  -0.985   8.323
  229   1HB   CYS  30          1HB       CYS  30  -6.060  -0.659  10.443
  230   2HB   CYS  30          2HB       CYS  30  -6.211  -2.381  10.728
  231    HG   CYS  30           HG       CYS  30  -5.159  -3.191   8.508
  232    H    THR  31           H        THR  31  -6.675  -2.980   7.157
  233    HA   THR  31           HA       THR  31  -8.026  -5.434   7.990
  234    HB   THR  31           HB       THR  31  -8.288  -4.267   5.176
  235    HG1  THR  31          1HG       THR  31  -9.920  -4.211   7.610
  236   1HG2  THR  31          1HG2      THR  31 -10.450  -5.806   5.485
  237   2HG2  THR  31          2HG2      THR  31  -8.901  -6.543   5.011
  238   3HG2  THR  31          3HG2      THR  31  -9.441  -6.618   6.705
  239    H    THR  32           H        THR  32  -7.389  -7.225   6.225
  240    HA   THR  32           HA       THR  32  -4.727  -6.831   5.192
  241    HB   THR  32           HB       THR  32  -3.948  -8.871   6.637
  242    HG1  THR  32          1HG       THR  32  -6.294  -9.117   7.339
  243   1HG2  THR  32          1HG2      THR  32  -3.567  -6.208   7.066
  244   2HG2  THR  32          2HG2      THR  32  -4.559  -6.586   8.496
  245   3HG2  THR  32          3HG2      THR  32  -3.022  -7.441   8.229
  246    H    PHE  33           H        PHE  33  -4.307  -8.139   3.471
  247    HA   PHE  33           HA       PHE  33  -6.306 -10.238   2.997
  248   1HB   PHE  33          1HB       PHE  33  -4.996  -8.097   1.248
  249   2HB   PHE  33          2HB       PHE  33  -5.611  -9.557   0.500
  250    HD1  PHE  33          1HD       PHE  33  -7.972  -9.928   0.258
  251    HD2  PHE  33          2HD       PHE  33  -6.546  -6.511   2.333
  252    HE1  PHE  33          1HE       PHE  33 -10.267  -8.917   0.171
  253    HE2  PHE  33          2HE       PHE  33  -8.842  -5.501   2.246
  254    HZ   PHE  33           HZ       PHE  33 -10.675  -6.715   1.165
  255    H    GLU  34           H        GLU  34  -5.221 -11.428   0.747
  256    HA   GLU  34           HA       GLU  34  -2.819 -12.551   1.906
  257   1HB   GLU  34          1HB       GLU  34  -5.067 -13.574   0.349
  258   2HB   GLU  34          2HB       GLU  34  -3.551 -14.012  -0.414
  259   1HG   GLU  34          1HG       GLU  34  -2.912 -14.568   2.182
  260   2HG   GLU  34          2HG       GLU  34  -4.643 -14.834   2.254
  261    H    ASN  35           H        ASN  35  -3.886 -12.147  -1.542
  262    HA   ASN  35           HA       ASN  35  -1.172 -11.382  -2.149
  263   1HB   ASN  35          1HB       ASN  35  -3.345 -11.602  -4.246
  264   2HB   ASN  35          2HB       ASN  35  -1.648 -12.021  -4.378
  265   1HD2  ASN  35          1HD2      ASN  35  -4.762 -12.956  -3.052
  266   2HD2  ASN  35          2HD2      ASN  35  -4.440 -14.645  -2.845
  267    H    GLY  36           H        GLY  36  -4.563 -10.211  -2.148
  268   1HA   GLY  36          1HA       GLY  36  -5.101  -7.952  -1.838
  269   2HA   GLY  36          2HA       GLY  36  -3.586  -7.474  -2.579
  270    H    ASN  37           H        ASN  37  -5.075 -10.100  -4.261
  271    HA   ASN  37           HA       ASN  37  -5.343  -8.661  -6.579
  272   1HB   ASN  37          1HB       ASN  37  -5.187 -11.100  -6.620
  273   2HB   ASN  37          2HB       ASN  37  -6.633 -11.271  -5.645
  274   1HD2  ASN  37          1HD2      ASN  37  -5.309 -10.670  -8.778
  275   2HD2  ASN  37          2HD2      ASN  37  -6.774 -10.719  -9.700
  276    H    GLU  38           H        GLU  38  -8.094 -10.276  -4.816
  277    HA   GLU  38           HA       GLU  38 -10.116  -8.959  -5.961
  278   1HB   GLU  38          1HB       GLU  38 -11.379  -9.375  -3.786
  279   2HB   GLU  38          2HB       GLU  38 -10.579 -10.776  -4.471
  280   1HG   GLU  38          1HG       GLU  38  -8.554 -10.102  -2.933
  281   2HG   GLU  38          2HG       GLU  38  -9.719  -9.104  -2.085
  282    H    VAL  39           H        VAL  39  -7.956  -7.777  -3.367
  283    HA   VAL  39           HA       VAL  39  -9.416  -5.607  -2.502
  284    HB   VAL  39           HB       VAL  39  -6.508  -6.289  -2.694
  285   1HG1  VAL  39          1HG1      VAL  39  -7.665  -3.581  -2.116
  286   2HG1  VAL  39          2HG1      VAL  39  -6.245  -4.132  -1.195
  287   3HG1  VAL  39          3HG1      VAL  39  -6.168  -4.024  -2.970
  288   1HG2  VAL  39          1HG2      VAL  39  -8.588  -6.035  -0.535
  289   2HG2  VAL  39          2HG2      VAL  39  -7.472  -7.377  -0.888
  290   3HG2  VAL  39          3HG2      VAL  39  -6.861  -5.887  -0.128
  291    H    LEU  40           H        LEU  40  -7.373  -6.038  -5.423
  292    HA   LEU  40           HA       LEU  40  -7.165  -3.429  -6.224
  293   1HB   LEU  40          1HB       LEU  40  -6.234  -5.652  -7.186
  294   2HB   LEU  40          2HB       LEU  40  -7.688  -5.659  -8.165
  295    HG   LEU  40           HG       LEU  40  -7.076  -3.667  -9.298
  296   1HD1  LEU  40          1HD1      LEU  40  -6.290  -2.115  -7.819
  297   2HD1  LEU  40          2HD1      LEU  40  -5.212  -3.269  -6.999
  298   3HD1  LEU  40          3HD1      LEU  40  -4.759  -2.603  -8.586
  299   1HD2  LEU  40          1HD2      LEU  40  -5.358  -5.942  -9.243
  300   2HD2  LEU  40          2HD2      LEU  40  -5.708  -4.834 -10.591
  301   3HD2  LEU  40          3HD2      LEU  40  -4.357  -4.491  -9.484
  302    H    ALA  41           H        ALA  41  -9.702  -5.758  -7.397
  303    HA   ALA  41           HA       ALA  41 -11.271  -3.737  -8.533
  304   1HB   ALA  41          1HB       ALA  41 -12.924  -5.500  -8.783
  305   2HB   ALA  41          2HB       ALA  41 -11.310  -6.187  -9.086
  306   3HB   ALA  41          3HB       ALA  41 -12.126  -6.482  -7.531
  307    H    ALA  42           H        ALA  42 -10.620  -4.518  -5.256
  308    HA   ALA  42           HA       ALA  42 -13.200  -3.471  -4.367
  309   1HB   ALA  42          1HB       ALA  42 -11.051  -4.407  -2.493
  310   2HB   ALA  42          2HB       ALA  42 -12.819  -4.591  -2.384
  311   3HB   ALA  42          3HB       ALA  42 -11.882  -5.623  -3.492
  312    H    LEU  43           H        LEU  43 -10.303  -2.280  -5.446
  313    HA   LEU  43           HA       LEU  43 -10.058  -0.272  -3.347
  314   1HB   LEU  43          1HB       LEU  43  -8.274  -1.561  -5.208
  315   2HB   LEU  43          2HB       LEU  43  -8.191   0.178  -5.403
  316    HG   LEU  43           HG       LEU  43  -7.704  -1.389  -2.858
  317   1HD1  LEU  43          1HD1      LEU  43  -5.611  -1.504  -3.583
  318   2HD1  LEU  43          2HD1      LEU  43  -5.999  -0.518  -5.013
  319   3HD1  LEU  43          3HD1      LEU  43  -5.523   0.271  -3.491
  320   1HD2  LEU  43          1HD2      LEU  43  -8.001   0.429  -1.620
  321   2HD2  LEU  43          2HD2      LEU  43  -6.993   1.412  -2.708
  322   3HD2  LEU  43          3HD2      LEU  43  -8.729   1.208  -3.045
  323    H    ALA  44           H        ALA  44 -11.176  -0.787  -6.674
  324    HA   ALA  44           HA       ALA  44 -11.437   2.051  -7.146
  325   1HB   ALA  44          1HB       ALA  44 -12.819   0.311  -9.025
  326   2HB   ALA  44          2HB       ALA  44 -11.426   1.387  -9.295
  327   3HB   ALA  44          3HB       ALA  44 -11.167  -0.276  -8.716
  328    H    SER  45           H        SER  45 -12.956   0.142  -5.037
  329    HA   SER  45           HA       SER  45 -15.583   1.197  -5.745
  330   1HB   SER  45          1HB       SER  45 -16.611  -0.706  -4.835
  331   2HB   SER  45          2HB       SER  45 -15.187  -1.383  -5.599
  332    HG   SER  45           HG       SER  45 -15.902  -1.387  -2.938
  333    H    LYS  46           H        LYS  46 -13.524   0.173  -2.918
  334    HA   LYS  46           HA       LYS  46 -14.876   2.204  -1.314
  335   1HB   LYS  46          1HB       LYS  46 -14.480  -0.338  -0.686
  336   2HB   LYS  46          2HB       LYS  46 -12.901   0.245  -0.197
  337   1HG   LYS  46          1HG       LYS  46 -13.936   0.760   1.777
  338   2HG   LYS  46          2HG       LYS  46 -14.504   2.181   0.923
  339   1HD   LYS  46          1HD       LYS  46 -16.445   0.492   0.125
  340   2HD   LYS  46          2HD       LYS  46 -15.991  -0.357   1.589
  341   1HE   LYS  46          1HE       LYS  46 -16.675   1.394   2.993
  342   2HE   LYS  46          2HE       LYS  46 -16.403   2.625   1.776
  343   1HZ   LYS  46          1HZ       LYS  46 -18.361   2.076   0.710
  344   2HZ   LYS  46          2HZ       LYS  46 -18.493   0.612   1.422
  345   3HZ   LYS  46          3HZ       LYS  46 -18.771   1.969   2.287
  346    H    THR  47           H        THR  47 -11.482   0.952  -1.262
  347    HA   THR  47           HA       THR  47  -9.523   2.005  -1.385
  348    HB   THR  47           HB       THR  47 -11.134   3.300  -3.290
  349    HG1  THR  47          1HG       THR  47  -9.020   3.624  -4.102
  350   1HG2  THR  47          1HG2      THR  47  -9.667   5.322  -1.514
  351   2HG2  THR  47          2HG2      THR  47 -10.239   5.663  -3.166
  352   3HG2  THR  47          3HG2      THR  47 -11.410   5.310  -1.873
  353    HA   PRO  48           HA       PRO  48  -9.997   3.930   2.527
  354   1HB   PRO  48          1HB       PRO  48  -7.671   2.985   3.606
  355   2HB   PRO  48          2HB       PRO  48  -9.190   2.116   3.695
  356   1HG   PRO  48          1HG       PRO  48  -6.845   1.576   1.979
  357   2HG   PRO  48          2HG       PRO  48  -8.171   0.508   2.394
  358   1HD   PRO  48          1HD       PRO  48  -7.798   1.897  -0.088
  359   2HD   PRO  48          2HD       PRO  48  -9.180   0.922   0.370
  360    H    ASP  49           H        ASP  49  -7.831   4.888   3.989
  361    HA   ASP  49           HA       ASP  49  -7.358   7.199   2.405
  362   1HB   ASP  49          1HB       ASP  49  -7.026   6.344   5.223
  363   2HB   ASP  49          2HB       ASP  49  -5.731   7.390   4.674
  364    H    VAL  50           H        VAL  50  -5.851   4.127   2.962
  365    HA   VAL  50           HA       VAL  50  -3.688   4.705   1.266
  366    HB   VAL  50           HB       VAL  50  -2.725   5.910   3.061
  367   1HG1  VAL  50          1HG1      VAL  50  -2.571   3.815   5.093
  368   2HG1  VAL  50          2HG1      VAL  50  -3.073   5.516   5.238
  369   3HG1  VAL  50          3HG1      VAL  50  -4.247   4.283   4.722
  370   1HG2  VAL  50          1HG2      VAL  50  -1.485   3.140   3.152
  371   2HG2  VAL  50          2HG2      VAL  50  -1.246   4.310   1.831
  372   3HG2  VAL  50          3HG2      VAL  50  -0.681   4.696   3.474
  373    H    LEU  51           H        LEU  51  -2.175   2.728   1.157
  374    HA   LEU  51           HA       LEU  51  -3.145   0.338   2.376
  375   1HB   LEU  51          1HB       LEU  51  -4.746  -0.063   0.886
  376   2HB   LEU  51          2HB       LEU  51  -4.145   1.133  -0.244
  377    HG   LEU  51           HG       LEU  51  -2.305  -0.655  -0.771
  378   1HD1  LEU  51          1HD1      LEU  51  -3.686  -2.051   1.197
  379   2HD1  LEU  51          2HD1      LEU  51  -4.229  -2.791  -0.329
  380   3HD1  LEU  51          3HD1      LEU  51  -2.493  -2.711   0.053
  381   1HD2  LEU  51          1HD2      LEU  51  -5.161  -0.599  -1.703
  382   2HD2  LEU  51          2HD2      LEU  51  -3.683  -0.048  -2.529
  383   3HD2  LEU  51          3HD2      LEU  51  -4.015  -1.789  -2.365
  384    H    LEU  52           H        LEU  52  -1.782  -1.570   1.682
  385    HA   LEU  52           HA       LEU  52   0.881  -0.564   0.985
  386   1HB   LEU  52          1HB       LEU  52  -0.040  -2.114   3.122
  387   2HB   LEU  52          2HB       LEU  52   0.783  -3.248   2.070
  388    HG   LEU  52           HG       LEU  52   2.028  -0.671   3.062
  389   1HD1  LEU  52          1HD1      LEU  52   2.074  -1.668   5.065
  390   2HD1  LEU  52          2HD1      LEU  52   1.669  -3.266   4.394
  391   3HD1  LEU  52          3HD1      LEU  52   3.352  -2.687   4.359
  392   1HD2  LEU  52          1HD2      LEU  52   3.425  -3.105   1.944
  393   2HD2  LEU  52          2HD2      LEU  52   2.892  -1.744   0.927
  394   3HD2  LEU  52          3HD2      LEU  52   4.081  -1.474   2.224
  395    H    SER  53           H        SER  53   1.893  -3.271   0.432
  396    HA   SER  53           HA       SER  53   0.527  -4.710  -1.357
  397   1HB   SER  53          1HB       SER  53   1.096  -2.106  -2.491
  398   2HB   SER  53          2HB       SER  53   1.998  -3.316  -3.383
  399    HG   SER  53           HG       SER  53  -0.291  -4.488  -3.208
  400    H    ASQ  54           H        ASP  54   1.942  -6.257  -0.382
  401    HA   ASQ  54           HA       ASP  54   4.697  -6.017  -1.307
  402   1HB   ASQ  54          1HB       ASP  54   4.563  -5.800   1.147
  403   2HB   ASQ  54          2HB       ASP  54   3.598  -7.259   1.257
  404    H    ILE  55           H        ILE  55   4.958  -7.542  -2.949
  405    HA   ILE  55           HA       ILE  55   4.583 -10.260  -2.497
  406    HB   ILE  55           HB       ILE  55   2.163  -9.372  -2.704
  407   1HG1  ILE  55          1HG1      ILE  55   1.588 -11.477  -4.097
  408   2HG1  ILE  55          2HG1      ILE  55   3.315 -11.774  -4.118
  409   1HG2  ILE  55          1HG2      ILE  55   2.062  -9.822  -5.539
  410   2HG2  ILE  55          2HG2      ILE  55   1.505  -8.420  -4.595
  411   3HG2  ILE  55          3HG2      ILE  55   3.184  -8.486  -5.185
  412   1HD1  ILE  55          1HD1      ILE  55   3.171 -12.669  -2.047
  413   2HD1  ILE  55          2HD1      ILE  55   2.631 -11.094  -1.417
  414   3HD1  ILE  55          3HD1      ILE  55   1.435 -12.283  -1.988
  415    H    ARG  56           H        ARG  56   3.820 -10.649  -5.459
  416    HA   ARG  56           HA       ARG  56   5.500  -9.236  -7.061
  417   1HB   ARG  56          1HB       ARG  56   7.435 -10.805  -7.354
  418   2HB   ARG  56          2HB       ARG  56   7.396 -10.104  -5.748
  419   1HG   ARG  56          1HG       ARG  56   5.813 -12.574  -5.851
  420   2HG   ARG  56          2HG       ARG  56   7.455 -12.859  -6.396
  421   1HD   ARG  56          1HD       ARG  56   8.401 -12.240  -4.328
  422   2HD   ARG  56          2HD       ARG  56   7.048 -11.217  -3.890
  423    HE   ARG  56           HE       ARG  56   5.964 -13.080  -2.974
  424   1HH1  ARG  56          2HH2      ARG  56   8.544 -14.179  -5.099
  425   2HH1  ARG  56          1HH2      ARG  56   8.380 -15.843  -4.647
  426   1HH2  ARG  56          2HH1      ARG  56   5.748 -15.275  -2.378
  427   2HH2  ARG  56          1HH1      ARG  56   6.778 -16.470  -3.089
  428    H    MET  57           H        MET  57   2.912 -10.455  -7.119
  429    HA   MET  57           HA       MET  57   3.340 -12.560  -9.095
  430   1HB   MET  57          1HB       MET  57   1.026 -13.330  -8.445
  431   2HB   MET  57          2HB       MET  57   2.126 -13.353  -7.082
  432   1HG   MET  57          1HG       MET  57   1.073 -11.573  -6.013
  433   2HG   MET  57          2HG       MET  57   0.617 -10.793  -7.515
  434   1HE   MET  57          1HE       MET  57  -2.304 -11.796  -8.731
  435   2HE   MET  57          2HE       MET  57  -2.695 -10.896  -7.246
  436   3HE   MET  57          3HE       MET  57  -1.230 -10.491  -8.172
  437    HA   PRO  58           HA       PRO  58   1.321 -10.002 -11.961
  438   1HB   PRO  58          1HB       PRO  58   0.413 -11.826 -13.783
  439   2HB   PRO  58          2HB       PRO  58   2.072 -11.263 -13.736
  440   1HG   PRO  58          1HG       PRO  58   0.970 -13.858 -12.847
  441   2HG   PRO  58          2HG       PRO  58   2.632 -13.436 -13.204
  442   1HD   PRO  58          1HD       PRO  58   1.458 -13.738 -10.605
  443   2HD   PRO  58          2HD       PRO  58   3.089 -13.204 -10.963
  444    H    GLY  59           H        GLY  59  -0.822  -9.831 -13.381
  445   1HA   GLY  59          1HA       GLY  59  -3.111  -9.971 -13.394
  446   2HA   GLY  59          2HA       GLY  59  -3.084 -10.893 -11.903
  447    H    MET  60           H        MET  60  -1.344  -9.053 -10.393
  448    HA   MET  60           HA       MET  60  -2.944  -6.635 -10.371
  449   1HB   MET  60          1HB       MET  60  -3.981  -8.132  -8.691
  450   2HB   MET  60          2HB       MET  60  -2.415  -8.504  -7.996
  451   1HG   MET  60          1HG       MET  60  -2.377  -5.768  -7.784
  452   2HG   MET  60          2HG       MET  60  -4.103  -6.049  -7.672
  453   1HE   MET  60          1HE       MET  60  -0.884  -5.893  -6.222
  454   2HE   MET  60          2HE       MET  60  -0.974  -6.570  -4.579
  455   3HE   MET  60          3HE       MET  60  -0.627  -7.635  -5.961
  456    H    ASP  61           H        ASP  61  -0.608  -7.973  -7.957
  457    HA   ASP  61           HA       ASP  61   1.252  -7.179  -7.165
  458   1HB   ASP  61          1HB       ASP  61   2.354  -7.955  -9.118
  459   2HB   ASP  61          2HB       ASP  61   1.605  -6.746 -10.141
  460    H    GLY  62           H        GLY  62   2.677  -5.091  -6.880
  461   1HA   GLY  62          1HA       GLY  62   1.003  -2.865  -6.438
  462   2HA   GLY  62          2HA       GLY  62   2.751  -2.917  -6.311
  463    H    LEU  63           H        LEU  63   4.078  -2.278  -8.083
  464    HA   LEU  63           HA       LEU  63   3.017  -0.321  -9.731
  465   1HB   LEU  63          1HB       LEU  63   5.239  -0.056  -9.423
  466   2HB   LEU  63          2HB       LEU  63   5.578  -1.775  -9.460
  467    HG   LEU  63           HG       LEU  63   6.482  -0.272 -11.354
  468   1HD1  LEU  63          1HD1      LEU  63   5.355  -2.989 -11.432
  469   2HD1  LEU  63          2HD1      LEU  63   5.599  -2.241 -13.028
  470   3HD1  LEU  63          3HD1      LEU  63   6.966  -2.392 -11.897
  471   1HD2  LEU  63          1HD2      LEU  63   5.113   0.703 -12.817
  472   2HD2  LEU  63          2HD2      LEU  63   4.097  -0.750 -12.970
  473   3HD2  LEU  63          3HD2      LEU  63   3.814   0.397 -11.639
  474    H    ALA  64           H        ALA  64   3.745  -3.803 -10.369
  475    HA   ALA  64           HA       ALA  64   3.398  -4.995 -12.255
  476   1HB   ALA  64          1HB       ALA  64   1.166  -5.653 -12.282
  477   2HB   ALA  64          2HB       ALA  64   1.270  -4.850 -10.697
  478   3HB   ALA  64          3HB       ALA  64   0.564  -3.990 -12.086
  479    H    LEU  65           H        LEU  65   0.882  -4.164 -13.978
  480    HA   LEU  65           HA       LEU  65   2.206  -3.257 -16.165
  481   1HB   LEU  65          1HB       LEU  65  -0.564  -3.438 -15.261
  482   2HB   LEU  65          2HB       LEU  65  -0.311  -2.136 -16.408
  483    HG   LEU  65           HG       LEU  65  -1.017  -4.189 -17.521
  484   1HD1  LEU  65          1HD1      LEU  65   0.203  -3.707 -19.326
  485   2HD1  LEU  65          2HD1      LEU  65   1.047  -2.530 -18.289
  486   3HD1  LEU  65          3HD1      LEU  65   1.730  -4.157 -18.527
  487   1HD2  LEU  65          1HD2      LEU  65  -0.352  -6.162 -16.756
  488   2HD2  LEU  65          2HD2      LEU  65   1.254  -5.843 -17.454
  489   3HD2  LEU  65          3HD2      LEU  65   0.917  -5.408 -15.762
  490    H    LEU  66           H        LEU  66  -0.164  -0.943 -14.817
  491    HA   LEU  66           HA       LEU  66   1.198   0.965 -13.658
  492   1HB   LEU  66          1HB       LEU  66   3.014   1.203 -15.006
  493   2HB   LEU  66          2HB       LEU  66   2.138   0.805 -16.470
  494    HG   LEU  66           HG       LEU  66   1.398   3.365 -15.148
  495   1HD1  LEU  66          1HD1      LEU  66   3.677   3.703 -14.836
  496   2HD1  LEU  66          2HD1      LEU  66   4.116   2.837 -16.328
  497   3HD1  LEU  66          3HD1      LEU  66   3.368   4.448 -16.422
  498   1HD2  LEU  66          1HD2      LEU  66   0.856   4.058 -17.278
  499   2HD2  LEU  66          2HD2      LEU  66   2.040   2.979 -18.053
  500   3HD2  LEU  66          3HD2      LEU  66   0.535   2.310 -17.378
  501    H    LYS  67           H        LYS  67  -1.013   0.026 -16.223
  502    HA   LYS  67           HA       LYS  67  -2.414   2.533 -16.192
  503   1HB   LYS  67          1HB       LYS  67  -2.294   0.196 -17.855
  504   2HB   LYS  67          2HB       LYS  67  -3.962   0.464 -17.391
  505   1HG   LYS  67          1HG       LYS  67  -3.875   2.787 -18.186
  506   2HG   LYS  67          2HG       LYS  67  -2.153   2.666 -18.488
  507   1HD   LYS  67          1HD       LYS  67  -2.482   1.081 -20.292
  508   2HD   LYS  67          2HD       LYS  67  -4.162   0.829 -19.860
  509   1HE   LYS  67          1HE       LYS  67  -3.920   3.633 -20.260
  510   2HE   LYS  67          2HE       LYS  67  -2.985   2.908 -21.553
  511   1HZ   LYS  67          1HZ       LYS  67  -5.757   3.002 -21.266
  512   2HZ   LYS  67          2HZ       LYS  67  -4.885   2.457 -22.534
  513   3HZ   LYS  67          3HZ       LYS  67  -5.296   1.437 -21.327
  514    H    GLN  68           H        GLN  68  -3.578  -0.842 -15.521
  515    HA   GLN  68           HA       GLN  68  -5.808  -0.238 -14.222
  516   1HB   GLN  68          1HB       GLN  68  -5.409  -2.528 -14.528
  517   2HB   GLN  68          2HB       GLN  68  -3.793  -2.451 -13.854
  518   1HG   GLN  68          1HG       GLN  68  -5.790  -1.647 -11.862
  519   2HG   GLN  68          2HG       GLN  68  -6.163  -3.232 -12.510
  520   1HE2  GLN  68          1HE2      GLN  68  -4.112  -1.358 -10.524
  521   2HE2  GLN  68          2HE2      GLN  68  -3.034  -2.600  -9.980
  522    H    ILE  69           H        ILE  69  -2.479  -0.081 -12.881
  523    HA   ILE  69           HA       ILE  69  -3.127   0.261 -10.215
  524    HB   ILE  69           HB       ILE  69  -0.831   0.754 -11.977
  525   1HG1  ILE  69          1HG1      ILE  69   0.273  -0.201  -9.813
  526   2HG1  ILE  69          2HG1      ILE  69  -1.372  -0.544  -9.316
  527   1HG2  ILE  69          1HG2      ILE  69   0.401   2.092 -10.308
  528   2HG2  ILE  69          2HG2      ILE  69  -0.966   2.977 -11.027
  529   3HG2  ILE  69          3HG2      ILE  69  -1.107   2.301  -9.386
  530   1HD1  ILE  69          1HD1      ILE  69  -1.722  -1.751 -11.525
  531   2HD1  ILE  69          2HD1      ILE  69   0.014  -1.532 -11.847
  532   3HD1  ILE  69          3HD1      ILE  69  -0.517  -2.509 -10.457
  533    H    LYS  70           H        LYS  70  -3.085   2.584 -12.952
  534    HA   LYS  70           HA       LYS  70  -3.292   4.927 -11.535
  535   1HB   LYS  70          1HB       LYS  70  -4.469   4.128 -14.210
  536   2HB   LYS  70          2HB       LYS  70  -4.472   5.770 -13.598
  537   1HG   LYS  70          1HG       LYS  70  -1.817   4.462 -13.416
  538   2HG   LYS  70          2HG       LYS  70  -2.411   4.591 -15.060
  539   1HD   LYS  70          1HD       LYS  70  -2.942   7.088 -13.673
  540   2HD   LYS  70          2HD       LYS  70  -1.259   6.657 -13.440
  541   1HE   LYS  70          1HE       LYS  70  -0.731   6.982 -15.653
  542   2HE   LYS  70          2HE       LYS  70  -2.214   6.242 -16.223
  543   1HZ   LYS  70          1HZ       LYS  70  -2.472   8.445 -16.737
  544   2HZ   LYS  70          2HZ       LYS  70  -3.288   8.357 -15.325
  545   3HZ   LYS  70          3HZ       LYS  70  -1.784   8.994 -15.361
  546    H    GLN  71           H        GLN  71  -6.238   3.949 -13.292
  547    HA   GLN  71           HA       GLN  71  -8.031   5.119 -11.805
  548   1HB   GLN  71          1HB       GLN  71  -9.577   3.091 -12.317
  549   2HB   GLN  71          2HB       GLN  71  -8.841   3.926 -13.670
  550   1HG   GLN  71          1HG       GLN  71  -6.879   2.110 -13.224
  551   2HG   GLN  71          2HG       GLN  71  -8.219   1.203 -12.549
  552   1HE2  GLN  71          1HE2      GLN  71  -7.607   3.343 -15.336
  553   2HE2  GLN  71          2HE2      GLN  71  -8.347   2.346 -16.544
  554    H    ARG  72           H        ARG  72  -7.019   1.689 -11.104
  555    HA   ARG  72           HA       ARG  72  -8.405   1.228  -8.907
  556   1HB   ARG  72          1HB       ARG  72  -5.477   0.578  -9.479
  557   2HB   ARG  72          2HB       ARG  72  -6.310  -0.083  -8.086
  558   1HG   ARG  72          1HG       ARG  72  -7.135  -0.446 -11.005
  559   2HG   ARG  72          2HG       ARG  72  -6.401  -1.667  -9.986
  560   1HD   ARG  72          1HD       ARG  72  -8.472  -2.284  -9.291
  561   2HD   ARG  72          2HD       ARG  72  -8.654  -0.721  -8.520
  562    HE   ARG  72           HE       ARG  72 -10.008  -0.008 -10.303
  563   1HH1  ARG  72          2HH2      ARG  72  -8.346  -2.977 -11.198
  564   2HH1  ARG  72          1HH2      ARG  72  -9.258  -3.199 -12.655
  565   1HH2  ARG  72          2HH1      ARG  72 -11.212  -0.299 -12.224
  566   2HH2  ARG  72          1HH1      ARG  72 -10.899  -1.665 -13.242
  567    H    HIS  73           H        HIS  73  -5.299   3.090  -9.073
  568    HA   HIS  73           HA       HIS  73  -6.070   4.689  -6.876
  569   1HB   HIS  73          1HB       HIS  73  -4.204   4.049  -5.363
  570   2HB   HIS  73          2HB       HIS  73  -5.460   2.835  -5.507
  571    HD1  HIS  73          1HD       HIS  73  -1.831   3.430  -6.145
  572    HD2  HIS  73          2HD       HIS  73  -4.692   0.470  -6.952
  573    HE1  HIS  73          1HE       HIS  73  -0.530   1.355  -6.865
  574    HA   PRO  74           HA       PRO  74  -3.197   6.545  -9.775
  575   1HB   PRO  74          1HB       PRO  74  -4.590   8.863 -10.170
  576   2HB   PRO  74          2HB       PRO  74  -4.772   7.451 -11.190
  577   1HG   PRO  74          1HG       PRO  74  -6.601   8.482  -9.110
  578   2HG   PRO  74          2HG       PRO  74  -6.939   7.354 -10.408
  579   1HD   PRO  74          1HD       PRO  74  -6.548   6.717  -7.640
  580   2HD   PRO  74          2HD       PRO  74  -6.770   5.581  -8.956
  581    H    MET  75           H        MET  75  -4.895   8.324  -7.242
  582    HA   MET  75           HA       MET  75  -2.316   9.545  -6.649
  583   1HB   MET  75          1HB       MET  75  -5.081  10.511  -6.783
  584   2HB   MET  75          2HB       MET  75  -4.441  10.802  -5.178
  585   1HG   MET  75          1HG       MET  75  -2.422  11.489  -7.168
  586   2HG   MET  75          2HG       MET  75  -3.924  12.305  -7.553
  587   1HE   MET  75          1HE       MET  75  -3.606  15.295  -5.715
  588   2HE   MET  75          2HE       MET  75  -2.164  14.826  -6.647
  589   3HE   MET  75          3HE       MET  75  -3.784  14.378  -7.230
  590    H    LEU  76           H        LEU  76  -4.904   7.468  -5.453
  591    HA   LEU  76           HA       LEU  76  -4.514   7.705  -2.725
  592   1HB   LEU  76          1HB       LEU  76  -6.409   6.578  -3.581
  593   2HB   LEU  76          2HB       LEU  76  -5.431   5.438  -4.481
  594    HG   LEU  76           HG       LEU  76  -4.608   5.014  -1.870
  595   1HD1  LEU  76          1HD1      LEU  76  -7.485   5.866  -1.901
  596   2HD1  LEU  76          2HD1      LEU  76  -6.945   4.585  -0.789
  597   3HD1  LEU  76          3HD1      LEU  76  -6.207   6.203  -0.709
  598   1HD2  LEU  76          1HD2      LEU  76  -5.007   3.309  -3.579
  599   2HD2  LEU  76          2HD2      LEU  76  -5.822   2.902  -2.050
  600   3HD2  LEU  76          3HD2      LEU  76  -6.764   3.548  -3.416
  601    HA   PRO  77           HA       PRO  77  -0.572   5.996  -2.201
  602   1HB   PRO  77          1HB       PRO  77  -0.559   5.757   0.521
  603   2HB   PRO  77          2HB       PRO  77  -0.208   7.259  -0.311
  604   1HG   PRO  77          1HG       PRO  77  -2.659   6.474   1.144
  605   2HG   PRO  77          2HG       PRO  77  -2.122   8.077   0.684
  606   1HD   PRO  77          1HD       PRO  77  -4.169   6.522  -0.589
  607   2HD   PRO  77          2HD       PRO  77  -3.551   8.074  -1.117
  608    H    VAL  78           H        VAL  78   0.175   4.049  -2.729
  609    HA   VAL  78           HA       VAL  78  -1.189   1.832  -1.370
  610    HB   VAL  78           HB       VAL  78  -0.444   2.122  -4.281
  611   1HG1  VAL  78          1HG1      VAL  78  -0.968  -0.334  -2.631
  612   2HG1  VAL  78          2HG1      VAL  78  -1.512  -0.282  -4.325
  613   3HG1  VAL  78          3HG1      VAL  78   0.212  -0.069  -3.938
  614   1HG2  VAL  78          1HG2      VAL  78  -3.001   2.009  -2.730
  615   2HG2  VAL  78          2HG2      VAL  78  -2.562   2.994  -4.145
  616   3HG2  VAL  78          3HG2      VAL  78  -2.960   1.271  -4.349
  617    H    ILE  79           H        ILE  79   1.537   3.594  -1.430
  618    HA   ILE  79           HA       ILE  79   3.748   3.169  -1.360
  619    HB   ILE  79           HB       ILE  79   2.583   2.710   0.895
  620   1HG1  ILE  79          1HG1      ILE  79   5.413   1.926   0.191
  621   2HG1  ILE  79          2HG1      ILE  79   4.835   3.443   0.850
  622   1HG2  ILE  79          1HG2      ILE  79   3.744   0.009   0.914
  623   2HG2  ILE  79          2HG2      ILE  79   2.227   0.620   1.617
  624   3HG2  ILE  79          3HG2      ILE  79   2.296   0.178  -0.107
  625   1HD1  ILE  79          1HD1      ILE  79   5.923   2.049   2.597
  626   2HD1  ILE  79          2HD1      ILE  79   4.203   2.319   2.967
  627   3HD1  ILE  79          3HD1      ILE  79   4.735   0.757   2.300
  628    H    ILE  80           H        ILE  80   4.822   0.436  -0.478
  629    HA   ILE  80           HA       ILE  80   4.179  -1.440  -2.444
  630    HB   ILE  80           HB       ILE  80   5.353   0.556  -3.708
  631   1HG1  ILE  80          1HG1      ILE  80   6.089  -1.034  -5.406
  632   2HG1  ILE  80          2HG1      ILE  80   6.066  -2.343  -4.241
  633   1HG2  ILE  80          1HG2      ILE  80   7.588   0.754  -3.590
  634   2HG2  ILE  80          2HG2      ILE  80   7.383   0.002  -1.990
  635   3HG2  ILE  80          3HG2      ILE  80   7.844  -0.996  -3.390
  636   1HD1  ILE  80          1HD1      ILE  80   3.508  -0.956  -4.185
  637   2HD1  ILE  80          2HD1      ILE  80   3.908  -1.438  -5.851
  638   3HD1  ILE  80          3HD1      ILE  80   3.848  -2.663  -4.562
  639    H    MET  81           H        MET  81   6.131  -3.132  -2.573
  640    HA   MET  81           HA       MET  81   7.836  -3.060  -0.309
  641   1HB   MET  81          1HB       MET  81   5.212  -4.461  -0.223
  642   2HB   MET  81          2HB       MET  81   6.553  -5.522   0.164
  643   1HG   MET  81          1HG       MET  81   7.131  -3.157   1.593
  644   2HG   MET  81          2HG       MET  81   5.395  -3.333   1.756
  645   1HE   MET  81          1HE       MET  81   4.381  -4.320   3.206
  646   2HE   MET  81          2HE       MET  81   4.395  -6.097   3.105
  647   3HE   MET  81          3HE       MET  81   5.021  -5.283   4.558
  648    H    THR  82           H        THR  82   9.704  -3.995  -1.014
  649    HA   THR  82           HA       THR  82  10.125  -6.473  -1.897
  650    HB   THR  82           HB       THR  82   8.719  -6.490  -3.779
  651    HG1  THR  82          1HG       THR  82  10.906  -6.823  -4.527
  652   1HG2  THR  82          1HG2      THR  82   9.226  -4.147  -5.282
  653   2HG2  THR  82          2HG2      THR  82   7.735  -4.511  -4.380
  654   3HG2  THR  82          3HG2      THR  82   9.035  -3.569  -3.610
  655    H    ALA  83           H        ALA  83  12.242  -6.666  -1.573
  656    HA   ALA  83           HA       ALA  83  13.872  -4.294  -1.765
  657   1HB   ALA  83          1HB       ALA  83  13.826  -6.302   0.008
  658   2HB   ALA  83          2HB       ALA  83  14.988  -7.005  -1.143
  659   3HB   ALA  83          3HB       ALA  83  15.327  -5.430  -0.385
  660    H    HIS  84           H        HIS  84  16.242  -6.200  -2.394
  661    HA   HIS  84           HA       HIS  84  17.506  -6.451  -4.190
  662   1HB   HIS  84          1HB       HIS  84  15.107  -7.762  -5.471
  663   2HB   HIS  84          2HB       HIS  84  16.802  -8.155  -5.682
  664    HD1  HIS  84          1HD       HIS  84  14.663 -10.270  -4.783
  665    HD2  HIS  84          2HD       HIS  84  17.189  -8.151  -2.191
  666    HE1  HIS  84          1HE       HIS  84  14.837 -11.666  -2.654
  667    H    SER  85           H        SER  85  16.672  -6.653  -7.026
  668    HA   SER  85           HA       SER  85  16.883  -3.960  -7.646
  669   1HB   SER  85          1HB       SER  85  16.580  -4.689  -9.984
  670   2HB   SER  85          2HB       SER  85  17.667  -5.770  -9.133
  671    HG   SER  85           HG       SER  85  16.239  -7.399  -9.268
  672    H    ASP  86           H        ASP  86  15.318  -2.568  -8.821
  673    HA   ASP  86           HA       ASP  86  12.689  -3.283  -9.200
  674   1HB   ASP  86          1HB       ASP  86  11.585  -2.015  -7.357
  675   2HB   ASP  86          2HB       ASP  86  12.489  -3.392  -6.758
  676    HD2  ASP  86           HD       ASP  86  13.733  -2.098  -4.505
  677    H    LEU  87           H        LEU  87  14.340  -1.972 -10.860
  678    HA   LEU  87           HA       LEU  87  14.519   0.819 -10.441
  679   1HB   LEU  87          1HB       LEU  87  14.680  -0.591 -13.094
  680   2HB   LEU  87          2HB       LEU  87  15.448   0.906 -12.605
  681    HG   LEU  87           HG       LEU  87  16.197  -1.505 -11.039
  682   1HD1  LEU  87          1HD1      LEU  87  17.762  -2.316 -12.737
  683   2HD1  LEU  87          2HD1      LEU  87  16.074  -2.456 -13.285
  684   3HD1  LEU  87          3HD1      LEU  87  17.107  -1.147 -13.909
  685   1HD2  LEU  87          1HD2      LEU  87  17.236   1.124 -11.638
  686   2HD2  LEU  87          2HD2      LEU  87  17.714  -0.029 -10.369
  687   3HD2  LEU  87          3HD2      LEU  87  18.451  -0.129 -11.986
  688    H    ASP  88           H        ASP  88  11.927  -1.288 -11.278
  689    HA   ASP  88           HA       ASP  88  10.575   0.643 -12.884
  690   1HB   ASP  88          1HB       ASP  88   9.803  -2.044 -11.675
  691   2HB   ASP  88          2HB       ASP  88   8.634  -1.060 -12.533
  692    H    ALA  89           H        ALA  89  10.584  -0.638  -9.522
  693    HA   ALA  89           HA       ALA  89   8.257   0.881  -8.770
  694   1HB   ALA  89          1HB       ALA  89  10.242  -0.585  -6.994
  695   2HB   ALA  89          2HB       ALA  89   8.548  -0.175  -6.636
  696   3HB   ALA  89          3HB       ALA  89   8.924  -1.405  -7.866
  697    H    ALA  90           H        ALA  90  11.592   1.500  -9.280
  698    HA   ALA  90           HA       ALA  90  11.751   3.524  -7.209
  699   1HB   ALA  90          1HB       ALA  90  14.006   3.376  -7.517
  700   2HB   ALA  90          2HB       ALA  90  13.587   1.830  -8.294
  701   3HB   ALA  90          3HB       ALA  90  13.864   3.280  -9.288
  702    H    VAL  91           H        VAL  91  10.053   3.349  -9.972
  703    HA   VAL  91           HA       VAL  91  10.461   6.192 -10.506
  704    HB   VAL  91           HB       VAL  91  10.128   5.641 -12.956
  705   1HG1  VAL  91          1HG1      VAL  91  12.739   4.438 -12.269
  706   2HG1  VAL  91          2HG1      VAL  91  12.355   5.874 -13.247
  707   3HG1  VAL  91          3HG1      VAL  91  12.393   5.991 -11.471
  708   1HG2  VAL  91          1HG2      VAL  91   9.464   3.469 -13.212
  709   2HG2  VAL  91          2HG2      VAL  91  11.221   3.240 -13.383
  710   3HG2  VAL  91          3HG2      VAL  91  10.426   2.891 -11.830
  711    H    SER  92           H        SER  92   8.464   3.304 -11.469
  712    HA   SER  92           HA       SER  92   6.175   4.833 -11.848
  713   1HB   SER  92          1HB       SER  92   6.967   2.122 -12.152
  714   2HB   SER  92          2HB       SER  92   5.580   2.079 -11.083
  715    HG   SER  92           HG       SER  92   5.716   2.685 -13.805
  716    H    ALA  93           H        ALA  93   7.746   3.515  -8.991
  717    HA   ALA  93           HA       ALA  93   5.324   3.880  -7.400
  718   1HB   ALA  93          1HB       ALA  93   7.721   3.023  -5.972
  719   2HB   ALA  93          2HB       ALA  93   6.151   2.205  -6.143
  720   3HB   ALA  93          3HB       ALA  93   7.405   1.994  -7.390
  721    H    TYR  94           H        TYR  94   7.117   6.038  -8.732
  722    HA   TYR  94           HA       TYR  94   7.649   7.510  -6.239
  723   1HB   TYR  94          1HB       TYR  94   9.112   7.101  -8.878
  724   2HB   TYR  94          2HB       TYR  94   9.269   8.673  -8.119
  725    HD1  TYR  94          1HD       TYR  94  11.295   8.911  -7.030
  726    HD2  TYR  94          2HD       TYR  94   9.295   5.134  -6.842
  727    HE1  TYR  94          1HE       TYR  94  13.140   7.999  -5.538
  728    HE2  TYR  94          2HE       TYR  94  11.147   4.236  -5.350
  729    HH   TYR  94           HH       TYR  94  13.897   5.148  -5.148
  730    H    GLN  95           H        GLN  95   5.610   7.209  -8.875
  731    HA   GLN  95           HA       GLN  95   4.386   9.626  -8.417
  732   1HB   GLN  95          1HB       GLN  95   5.009  11.052 -10.189
  733   2HB   GLN  95          2HB       GLN  95   6.542  10.407  -9.639
  734   1HG   GLN  95          1HG       GLN  95   5.805   8.498 -11.501
  735   2HG   GLN  95          2HG       GLN  95   5.104   9.941 -12.206
  736   1HE2  GLN  95          1HE2      GLN  95   7.573   8.104 -12.610
  737   2HE2  GLN  95          2HE2      GLN  95   8.875   9.204 -12.917
  738    H    GLN  96           H        GLN  96   3.538   6.992  -8.571
  739    HA   GLN  96           HA       GLN  96   1.461   7.204 -10.393
  740   1HB   GLN  96          1HB       GLN  96   3.884   5.755 -11.349
  741   2HB   GLN  96          2HB       GLN  96   2.374   4.894 -11.571
  742   1HG   GLN  96          1HG       GLN  96   1.920   7.640 -12.322
  743   2HG   GLN  96          2HG       GLN  96   3.408   7.126 -13.091
  744   1HE2  GLN  96          1HE2      GLN  96   2.607   7.050 -15.133
  745   2HE2  GLN  96          2HE2      GLN  96   1.458   5.883 -15.695
  746    H    GLY  97           H        GLY  97   3.175   4.102  -9.829
  747   1HA   GLY  97          1HA       GLY  97   0.921   3.026  -8.437
  748   2HA   GLY  97          2HA       GLY  97   2.458   2.247  -8.753
  749    H    ALA  98           H        ALA  98   1.512   5.254  -6.931
  750    HA   ALA  98           HA       ALA  98   1.553   5.550  -4.675
  751   1HB   ALA  98          1HB       ALA  98   2.304   3.921  -3.159
  752   2HB   ALA  98          2HB       ALA  98   1.722   2.947  -4.529
  753   3HB   ALA  98          3HB       ALA  98   3.466   3.235  -4.319
  754    H    PHE  99           H        PHE  99   2.806   7.170  -3.825
  755    HA   PHE  99           HA       PHE  99   5.326   7.645  -5.166
  756   1HB   PHE  99          1HB       PHE  99   5.005   9.740  -3.488
  757   2HB   PHE  99          2HB       PHE  99   4.055   9.634  -4.957
  758    HD1  PHE  99          1HD       PHE  99   1.700   9.417  -4.875
  759    HD2  PHE  99          2HD       PHE  99   3.973   9.003  -1.315
  760    HE1  PHE  99          1HE       PHE  99  -0.410   9.498  -3.518
  761    HE2  PHE  99          2HE       PHE  99   1.863   9.085   0.042
  762    HZ   PHE  99           HZ       PHE  99  -0.303   9.331  -1.076
  763    H    ASP 100           H        ASP 100   4.262   5.984  -2.399
  764    HA   ASP 100           HA       ASP 100   6.619   6.714  -0.886
  765   1HB   ASP 100          1HB       ASP 100   4.220   4.951  -0.202
  766   2HB   ASP 100          2HB       ASP 100   5.548   5.265   0.897
  767    H    TYR 101           H        TYR 101   7.159   4.335   0.498
  768    HA   TYR 101           HA       TYR 101   7.107   2.004  -1.045
  769   1HB   TYR 101          1HB       TYR 101   8.802   3.866  -2.137
  770   2HB   TYR 101          2HB       TYR 101   9.882   3.246  -0.903
  771    HD1  TYR 101          1HD       TYR 101   9.536   0.415  -0.834
  772    HD2  TYR 101          2HD       TYR 101   9.336   3.018  -4.223
  773    HE1  TYR 101          1HE       TYR 101  10.165  -1.516  -2.362
  774    HE2  TYR 101          2HE       TYR 101   9.965   1.077  -5.741
  775    HH   TYR 101           HH       TYR 101   9.648  -1.948  -5.021
  776    H    LEU 102           H        LEU 102   7.811   0.240   0.176
  777    HA   LEU 102           HA       LEU 102   9.194   0.921   2.672
  778   1HB   LEU 102          1HB       LEU 102   6.526   0.054   2.398
  779   2HB   LEU 102          2HB       LEU 102   7.427  -1.330   2.985
  780    HG   LEU 102           HG       LEU 102   8.114  -0.197   4.952
  781   1HD1  LEU 102          1HD1      LEU 102   6.976   2.356   4.931
  782   2HD1  LEU 102          2HD1      LEU 102   8.704   1.941   4.831
  783   3HD1  LEU 102          3HD1      LEU 102   7.760   2.187   3.342
  784   1HD2  LEU 102          1HD2      LEU 102   6.012   0.394   6.017
  785   2HD2  LEU 102          2HD2      LEU 102   5.234   0.589   4.428
  786   3HD2  LEU 102          3HD2      LEU 102   5.795  -1.017   4.954
  787    HA   PRO 103           HA       PRO 103  11.348  -2.332   0.361
  788   1HB   PRO 103          1HB       PRO 103  13.785  -1.112   0.164
  789   2HB   PRO 103          2HB       PRO 103  12.574  -1.043  -1.101
  790   1HG   PRO 103          1HG       PRO 103  13.366   1.059   0.820
  791   2HG   PRO 103          2HG       PRO 103  12.492   1.224  -0.689
  792   1HD   PRO 103          1HD       PRO 103  11.382   1.312   1.954
  793   2HD   PRO 103          2HD       PRO 103  10.496   1.361   0.444
  794    H    LYS 104           H        LYS 104  13.104  -3.795   0.977
  795    HA   LYS 104           HA       LYS 104  14.058  -5.002   2.563
  796   1HB   LYS 104          1HB       LYS 104  15.018  -2.292   2.890
  797   2HB   LYS 104          2HB       LYS 104  15.003  -3.115   4.437
  798   1HG   LYS 104          1HG       LYS 104  16.042  -5.118   2.921
  799   2HG   LYS 104          2HG       LYS 104  16.576  -3.754   1.957
  800   1HD   LYS 104          1HD       LYS 104  17.567  -2.725   4.053
  801   2HD   LYS 104          2HD       LYS 104  17.125  -4.175   4.933
  802   1HE   LYS 104          1HE       LYS 104  19.359  -4.626   4.333
  803   2HE   LYS 104          2HE       LYS 104  18.470  -5.458   3.073
  804   1HZ   LYS 104          1HZ       LYS 104  19.407  -2.695   2.769
  805   2HZ   LYS 104          2HZ       LYS 104  20.303  -3.985   2.320
  806   3HZ   LYS 104          3HZ       LYS 104  18.866  -3.699   1.599
  807    HA   PRO 105           HA       PRO 105  11.451  -5.549   5.964
  808   1HB   PRO 105          1HB       PRO 105  13.040  -6.509   7.970
  809   2HB   PRO 105          2HB       PRO 105  12.484  -7.495   6.632
  810   1HG   PRO 105          1HG       PRO 105  15.170  -6.353   7.103
  811   2HG   PRO 105          2HG       PRO 105  14.705  -7.661   6.033
  812   1HD   PRO 105          1HD       PRO 105  15.323  -4.963   5.279
  813   2HD   PRO 105          2HD       PRO 105  14.747  -6.240   4.226
  814    H    PHE 106           H        PHE 106  11.207  -3.099   5.836
  815    HA   PHE 106           HA       PHE 106  12.475  -1.461   7.614
  816   1HB   PHE 106          1HB       PHE 106  10.121  -0.267   7.497
  817   2HB   PHE 106          2HB       PHE 106  10.971  -0.522   5.986
  818    HD1  PHE 106          1HD       PHE 106   8.206  -1.721   8.099
  819    HD2  PHE 106          2HD       PHE 106  10.110  -2.007   4.318
  820    HE1  PHE 106          1HE       PHE 106   6.226  -2.972   7.196
  821    HE2  PHE 106          2HE       PHE 106   8.131  -3.256   3.415
  822    HZ   PHE 106           HZ       PHE 106   6.211  -3.724   4.865
  823    H    ASP 107           H        ASP 107  10.702  -0.249   9.347
  824    HA   ASP 107           HA       ASP 107  10.292  -2.402  11.263
  825   1HB   ASP 107          1HB       ASP 107  11.651   0.062  11.465
  826   2HB   ASP 107          2HB       ASP 107  10.137   0.353  12.301
  827    H    ILE 108           H        ILE 108   8.547  -1.222  13.072
  828    HA   ILE 108           HA       ILE 108   6.105  -1.198  11.602
  829    HB   ILE 108           HB       ILE 108   6.984  -1.362  14.395
  830   1HG1  ILE 108          1HG1      ILE 108   6.265  -3.361  13.407
  831   2HG1  ILE 108          2HG1      ILE 108   4.936  -2.877  14.442
  832   1HG2  ILE 108          1HG2      ILE 108   4.582   0.259  13.628
  833   2HG2  ILE 108          2HG2      ILE 108   4.524  -0.769  15.081
  834   3HG2  ILE 108          3HG2      ILE 108   5.759   0.507  14.941
  835   1HD1  ILE 108          1HD1      ILE 108   3.699  -3.268  12.541
  836   2HD1  ILE 108          2HD1      ILE 108   4.190  -1.602  12.148
  837   3HD1  ILE 108          3HD1      ILE 108   5.082  -2.982  11.460
  838    H    ASP 109           H        ASP 109   7.494   1.197  13.961
  839    HA   ASP 109           HA       ASP 109   5.825   3.224  13.336
  840   1HB   ASP 109          1HB       ASP 109   8.127   2.873  14.887
  841   2HB   ASP 109          2HB       ASP 109   8.625   4.106  13.746
  842    H    GLU 110           H        GLU 110   8.981   2.279  11.827
  843    HA   GLU 110           HA       GLU 110   9.146   4.456  10.111
  844   1HB   GLU 110          1HB       GLU 110  10.388   1.708  10.218
  845   2HB   GLU 110          2HB       GLU 110  10.609   2.670   8.769
  846   1HG   GLU 110          1HG       GLU 110  11.137   3.881  11.504
  847   2HG   GLU 110          2HG       GLU 110  12.355   2.887  10.729
  848    H    ALA 111           H        ALA 111   7.128   1.610  10.098
  849    HA   ALA 111           HA       ALA 111   6.622   1.823   7.240
  850   1HB   ALA 111          1HB       ALA 111   6.016  -0.147   9.434
  851   2HB   ALA 111          2HB       ALA 111   5.001  -0.138   7.972
  852   3HB   ALA 111          3HB       ALA 111   6.754  -0.419   7.838
  853    H    VAL 112           H        VAL 112   4.908   2.075  10.425
  854    HA   VAL 112           HA       VAL 112   2.473   2.898   9.260
  855    HB   VAL 112           HB       VAL 112   3.569   3.245  12.059
  856   1HG1  VAL 112          1HG1      VAL 112   1.605   4.716  11.412
  857   2HG1  VAL 112          2HG1      VAL 112   0.662   3.221  11.203
  858   3HG1  VAL 112          3HG1      VAL 112   1.338   3.630  12.798
  859   1HG2  VAL 112          1HG2      VAL 112   3.174   0.876  10.802
  860   2HG2  VAL 112          2HG2      VAL 112   2.953   1.120  12.551
  861   3HG2  VAL 112          3HG2      VAL 112   1.545   1.159  11.462
  862    H    ALA 113           H        ALA 113   5.191   4.681  10.872
  863    HA   ALA 113           HA       ALA 113   4.092   7.214  10.593
  864   1HB   ALA 113          1HB       ALA 113   6.112   6.408  11.963
  865   2HB   ALA 113          2HB       ALA 113   7.051   6.555  10.459
  866   3HB   ALA 113          3HB       ALA 113   6.268   7.989  11.162
  867    H    LEU 114           H        LEU 114   5.260   4.980   8.214
  868    HA   LEU 114           HA       LEU 114   5.966   7.040   6.321
  869   1HB   LEU 114          1HB       LEU 114   7.220   4.946   6.450
  870   2HB   LEU 114          2HB       LEU 114   5.773   4.036   6.064
  871    HG   LEU 114           HG       LEU 114   6.468   6.125   4.093
  872   1HD1  LEU 114          1HD1      LEU 114   8.671   5.662   4.112
  873   2HD1  LEU 114          2HD1      LEU 114   8.452   4.101   4.938
  874   3HD1  LEU 114          3HD1      LEU 114   8.169   4.228   3.185
  875   1HD2  LEU 114          1HD2      LEU 114   6.124   4.014   2.602
  876   2HD2  LEU 114          2HD2      LEU 114   5.467   3.295   4.091
  877   3HD2  LEU 114          3HD2      LEU 114   4.729   4.766   3.413
  878    H    VAL 115           H        VAL 115   3.143   5.291   7.394
  879    HA   VAL 115           HA       VAL 115   1.738   5.747   4.903
  880    HB   VAL 115           HB       VAL 115   1.240   4.303   7.468
  881   1HG1  VAL 115          1HG1      VAL 115  -0.783   5.613   7.283
  882   2HG1  VAL 115          2HG1      VAL 115  -0.942   5.199   5.558
  883   3HG1  VAL 115          3HG1      VAL 115  -1.136   3.936   6.798
  884   1HG2  VAL 115          1HG2      VAL 115   1.978   2.742   6.000
  885   2HG2  VAL 115          2HG2      VAL 115   0.279   2.741   5.471
  886   3HG2  VAL 115          3HG2      VAL 115   1.490   3.691   4.575
  887    H    GLU 116           H        GLU 116   2.209   7.189   8.100
  888    HA   GLU 116           HA       GLU 116  -0.118   8.756   8.032
  889   1HB   GLU 116          1HB       GLU 116   2.347   8.561   9.698
  890   2HB   GLU 116          2HB       GLU 116   1.578  10.136   9.697
  891   1HG   GLU 116          1HG       GLU 116  -0.167   7.697  10.057
  892   2HG   GLU 116          2HG       GLU 116   0.819   8.217  11.410
  893    H    ARG 117           H        ARG 117   3.045   8.977   6.524
  894    HA   ARG 117           HA       ARG 117   2.800  11.793   6.098
  895   1HB   ARG 117          1HB       ARG 117   4.961  11.576   4.926
  896   2HB   ARG 117          2HB       ARG 117   5.032  10.712   6.449
  897   1HG   ARG 117          1HG       ARG 117   5.374   8.715   5.411
  898   2HG   ARG 117          2HG       ARG 117   4.027   8.967   4.319
  899   1HD   ARG 117          1HD       ARG 117   5.938   8.870   2.890
  900   2HD   ARG 117          2HD       ARG 117   5.568  10.579   3.004
  901    HE   ARG 117           HE       ARG 117   7.430   9.743   5.081
  902   1HH1  ARG 117          2HH2      ARG 117   7.199  10.662   1.692
  903   2HH1  ARG 117          1HH2      ARG 117   8.844  11.196   1.592
  904   1HH2  ARG 117          2HH1      ARG 117   9.600  10.448   4.949
  905   2HH2  ARG 117          1HH1      ARG 117  10.219  11.073   3.457
  906    H    ALA 118           H        ALA 118   1.915   8.779   4.543
  907    HA   ALA 118           HA       ALA 118   1.761   9.927   1.902
  908   1HB   ALA 118          1HB       ALA 118   2.404   7.541   2.376
  909   2HB   ALA 118          2HB       ALA 118   0.742   7.259   2.951
  910   3HB   ALA 118          3HB       ALA 118   1.033   7.708   1.253
  911    H    ILE 119           H        ILE 119  -0.244   9.505   4.769
  912    HA   ILE 119           HA       ILE 119  -2.724   9.750   3.390
  913    HB   ILE 119           HB       ILE 119  -1.798   9.673   6.221
  914   1HG1  ILE 119          1HG1      ILE 119  -3.625   8.080   4.439
  915   2HG1  ILE 119          2HG1      ILE 119  -2.218   7.551   5.339
  916   1HG2  ILE 119          1HG2      ILE 119  -4.593  10.533   5.428
  917   2HG2  ILE 119          2HG2      ILE 119  -4.002  10.208   7.074
  918   3HG2  ILE 119          3HG2      ILE 119  -3.355  11.585   6.152
  919   1HD1  ILE 119          1HD1      ILE 119  -3.497   8.070   7.487
  920   2HD1  ILE 119          2HD1      ILE 119  -4.936   8.340   6.473
  921   3HD1  ILE 119          3HD1      ILE 119  -4.165   6.735   6.518
  922    H    SER 120           H        SER 120  -0.522  11.972   5.195
  923    HA   SER 120           HA       SER 120  -2.257  14.167   4.798
  924   1HB   SER 120          1HB       SER 120  -0.376  13.738   6.612
  925   2HB   SER 120          2HB       SER 120   0.693  14.442   5.415
  926    HG   SER 120           HG       SER 120   0.010  16.188   6.600
  927    H    HIS 121           H        HIS 121   0.029  12.463   2.844
  928    HA   HIS 121           HA       HIS 121   1.109  14.556   1.362
  929   1HB   HIS 121          1HB       HIS 121   1.461  11.862   1.486
  930   2HB   HIS 121          2HB       HIS 121   0.584  11.989  -0.027
  931    HD1  HIS 121          1HD       HIS 121   3.578  13.788   1.587
  932    HD2  HIS 121          2HD       HIS 121   2.265  12.362  -2.134
  933    HE1  HIS 121          1HE       HIS 121   5.471  14.244  -0.063
  934    H    TYR 122           H        TYR 122  -2.116  13.286   1.548
  935    HA   TYR 122           HA       TYR 122  -2.901  13.930  -1.112
  936   1HB   TYR 122          1HB       TYR 122  -3.846  12.449   1.021
  937   2HB   TYR 122          2HB       TYR 122  -4.769  13.916   1.280
  938    HD1  TYR 122          1HD       TYR 122  -4.446  10.894  -0.683
  939    HD2  TYR 122          2HD       TYR 122  -6.317  14.740  -0.550
  940    HE1  TYR 122          1HE       TYR 122  -6.152  10.132  -2.407
  941    HE2  TYR 122          2HE       TYR 122  -8.017  13.964  -2.275
  942    HH   TYR 122           HH       TYR 122  -7.596  11.389  -4.185
  943    H    GLN 123           H        GLN 123  -2.911  15.610   2.066
  944    HA   GLN 123           HA       GLN 123  -4.316  17.823   0.878
  945   1HB   GLN 123          1HB       GLN 123  -5.007  17.273   3.112
  946   2HB   GLN 123          2HB       GLN 123  -3.356  17.199   3.693
  947   1HG   GLN 123          1HG       GLN 123  -3.136  19.685   3.139
  948   2HG   GLN 123          2HG       GLN 123  -4.851  19.699   2.780
  949   1HE2  GLN 123          1HE2      GLN 123  -6.367  19.293   4.416
  950   2HE2  GLN 123          2HE2      GLN 123  -5.998  19.507   6.095
  951    H    GLU 124           H        GLU 124  -3.166  19.274  -0.322
  952    HA   GLU 124           HA       GLU 124  -0.545  19.423  -0.627
  953   1HB   GLU 124          1HB       GLU 124  -0.883  21.493  -1.674
  954   2HB   GLU 124          2HB       GLU 124  -2.494  20.803  -1.702
  955   1HG   GLU 124          1HG       GLU 124  -2.948  22.039   0.506
  956   2HG   GLU 124          2HG       GLU 124  -1.418  22.863   0.275