*HEADER    CYTOKINE                                28-MAY-01   1J9O              
*TITLE     SOLUTION STRUCTURE OF HUMAN LYMPHOTACTIN                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LYMPHOTACTIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    CHEMOKINE                                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    E.S.KULOGLU, D.R.MCCASLIN, M.KITABWALLA, C.D.PAUZA,                   
*AUTHOR   2 J.L.MARKLEY, B.F.VOLKMAN                                             
*REVDAT   1   24-OCT-01 1J9O    0                                                
  1 VAL  QG1     2 GLY  HA1    12.77                
  1 VAL  QG1     2 GLY  HA2    12.77                
  1 VAL  QG2     2 GLY  HA1    12.77                
  1 VAL  QG2     2 GLY  HA2    12.77                
  1 VAL  QQG     2 GLY  QA      8.04                
  2 GLY  HA1     3 SER  HN      3.11                
  2 GLY  HA2     3 SER  HN      3.11                
  2 GLY  QA      3 SER  HN      2.89                
  3 SER  HN      3 SER  HB2     3.76                
  3 SER  HN      3 SER  HB3     3.76                
  3 SER  HA      3 SER  HB2     2.90                
  3 SER  HA      3 SER  HB3     2.90                
  3 SER  HA      4 GLU- QG      6.38                
  3 SER  HB2     4 GLU- HN      3.79                
  3 SER  HB2     4 GLU- HB2     7.25                
  3 SER  HB2     4 GLU- HB3     7.25                
  3 SER  HB2     5 VAL  QQG     7.62                
  3 SER  HB3     4 GLU- HN      3.79                
  3 SER  HB3     4 GLU- HB2     7.25                
  3 SER  HB3     4 GLU- HB3     7.25                
  3 SER  HB3     5 VAL  QQG     7.62                
  3 SER  QB      4 GLU- QB      6.32                
  4 GLU- HN      4 GLU- QB      3.09                
  4 GLU- HN      4 GLU- HG2     4.26                
  4 GLU- HN      4 GLU- HG3     4.26                
  4 GLU- HA      5 VAL  HN      2.65                
  4 GLU- HA      5 VAL  QQG     7.62                
  4 GLU- HB2     5 VAL  HN      4.26                
  4 GLU- HB2     5 VAL  QQG     7.62                
  4 GLU- HB3     5 VAL  HN      4.26                
  4 GLU- HB3     5 VAL  QQG     7.62                
  4 GLU- QB      5 VAL  HN      4.03                
  4 GLU- HG2     5 VAL  HN      5.50                
  4 GLU- HG2     5 VAL  QQG     7.62                
  4 GLU- HG3     5 VAL  HN      5.50                
  4 GLU- HG3     5 VAL  QQG     7.62                
  5 VAL  HN      5 VAL  HB      3.02                
  5 VAL  HA      6 SER  HN      2.74                
  5 VAL  HA      6 SER  QB      4.83                
  5 VAL  HA      7 ASP- HN      3.08                
  5 VAL  HA      8 LYS+ HN      3.30                
  5 VAL  QQG     6 SER  HN      7.31                
  5 VAL  QQG     7 ASP- HN      7.62                
  5 VAL  QQG     7 ASP- QB      8.50                
  6 SER  HN      6 SER  QB      3.75                
  6 SER  HB2     7 ASP- HN      3.79                
  6 SER  HB3     7 ASP- HN      3.79                
  6 SER  QB      7 ASP- HA      4.86                
  7 ASP- HN      7 ASP- QB      3.57                
  7 ASP- HN      8 LYS+ HN      3.05                
  7 ASP- HN      8 LYS+ HG2     5.47                
  7 ASP- HN      8 LYS+ HG3     5.47                
  7 ASP- HN      8 LYS+ QG      5.30                
  7 ASP- HB2     8 LYS+ HN      3.67                
  7 ASP- HB3     8 LYS+ HN      3.67                
  7 ASP- QB      8 LYS+ HN      3.38                
  8 LYS+ HN      8 LYS+ QB      3.73                
  8 LYS+ HN      8 LYS+ HG2     4.57                
  8 LYS+ HN      8 LYS+ HG3     4.57                
  8 LYS+ HN      8 LYS+ QG      4.39                
  8 LYS+ HN      8 LYS+ QD      6.38                
  8 LYS+ HA      8 LYS+ QD      6.00                
  8 LYS+ HA      8 LYS+ QE      6.38                
  8 LYS+ HB2     8 LYS+ QE      6.38                
  8 LYS+ HB3     8 LYS+ QE      6.38                
  8 LYS+ QB      8 LYS+ QE      5.61                
  8 LYS+ QB      9 ARG+ HN      3.90                
  8 LYS+ HG2     9 ARG+ HN      3.83                
  8 LYS+ HG3     9 ARG+ HN      3.83                
  8 LYS+ QD      9 ARG+ HN      5.73                
  9 ARG+ HN      9 ARG+ HB2     2.87                
  9 ARG+ HN      9 ARG+ HB3     2.87                
  9 ARG+ HN      9 ARG+ QG      4.95                
  9 ARG+ HN      9 ARG+ QD      5.17                
  9 ARG+ HN     10 THR  HN      3.02                
  9 ARG+ HA      9 ARG+ QD      4.30                
  9 ARG+ HB2     9 ARG+ QD      3.65                
  9 ARG+ HB2    10 THR  HN      3.70                
  9 ARG+ HB3     9 ARG+ QD      3.65                
  9 ARG+ HB3    10 THR  HN      3.70                
  9 ARG+ QB      9 ARG+ QD      3.46                
  9 ARG+ QB     10 THR  QG2     6.63                
  9 ARG+ QG     10 THR  HN      6.38                
 10 THR  HN     10 THR  HB      2.90                
 10 THR  HN     11 CYSS HN      3.30                
 10 THR  HN     38 ILE  QD1     6.16                
 10 THR  HA     10 THR  QG2     3.43                
 10 THR  HB     11 CYSS HN      3.02                
 10 THR  QG2    11 CYSS HN      4.92                
 10 THR  QG2    11 CYSS QB      7.40                
 10 THR  QG2    48 CYSS HA      5.57                
 10 THR  QG2    48 CYSS HB2     6.00                
 10 THR  QG2    48 CYSS HB3     6.00                
 10 THR  QG2    48 CYSS QB      5.72                
 11 CYSS HN     38 ILE  QD1     6.22                
 11 CYSS HA     12 VAL  HN      3.05                
 11 CYSS CB     48 CYSS CB      3.99  1.00E+01                 
 11 CYSS QB     12 VAL  HN      5.07                
 11 CYSS QB     48 CYSS HB2     6.38                
 11 CYSS QB     48 CYSS HB3     6.38                
 11 CYSS QB     48 CYSS QB      6.18                
 11 CYSS SG     48 CYSS SG      2.10  1.00E+01                 
 12 VAL  HN     12 VAL  HB      3.39                
 12 VAL  HN     13 SER  HN      2.99                
 12 VAL  HN     47 VAL  HA      4.17                
 12 VAL  HB     13 SER  HN      3.42                
 12 VAL  QQG    13 SER  HN      6.66                
 12 VAL  QQG    13 SER  HA      7.62                
 12 VAL  QQG    13 SER  QB      8.50                
 13 SER  HA     14 LEU  HG      4.48                
 13 SER  HA     14 LEU  QQD     7.29                
 13 SER  QB     14 LEU  HN      4.24                
 14 LEU  HN     14 LEU  QB      3.67                
 14 LEU  HN     14 LEU  HG      3.64                
 14 LEU  HN     14 LEU  QD1     5.54                
 14 LEU  HN     14 LEU  QD2     5.54                
 14 LEU  HN     14 LEU  QQD     5.13                
 14 LEU  HA     14 LEU  HB2     3.02                
 14 LEU  HA     14 LEU  HB3     3.02                
 14 LEU  HA     14 LEU  HG      3.89                
 14 LEU  HA     14 LEU  QD1     5.26                
 14 LEU  HA     14 LEU  QD2     5.26                
 14 LEU  HA     14 LEU  QQD     4.41                
 14 LEU  HA     15 THR  HN      2.96                
 14 LEU  HA     49 ALA  QB      5.81                
 14 LEU  HB2    14 LEU  HG      2.99                
 14 LEU  HB2    50 ASP- HN      5.04                
 14 LEU  HB3    14 LEU  HG      2.99                
 14 LEU  HB3    50 ASP- HN      5.04                
 14 LEU  QB     14 LEU  HG      2.56                
 14 LEU  QB     15 THR  HN      4.92                
 14 LEU  QB     50 ASP- HN      4.55                
 14 LEU  QD1    15 THR  HN      6.53                
 14 LEU  QD1    48 CYSS HB2     8.64                
 14 LEU  QD1    48 CYSS HB3     8.64                
 14 LEU  QD1    49 ALA  HA      5.57                
 14 LEU  QD1    50 ASP- HN      5.69                
 14 LEU  QD1    50 ASP- HB2     6.92                
 14 LEU  QD1    50 ASP- HB3     6.92                
 14 LEU  QD1    51 PRO  HD2     6.53                
 14 LEU  QD1    51 PRO  HD3     6.53                
 14 LEU  QD2    15 THR  HN      6.53                
 14 LEU  QD2    48 CYSS HB2     8.64                
 14 LEU  QD2    48 CYSS HB3     8.64                
 14 LEU  QD2    49 ALA  HA      5.57                
 14 LEU  QD2    50 ASP- HN      5.69                
 14 LEU  QD2    50 ASP- HB2     6.92                
 14 LEU  QD2    50 ASP- HB3     6.92                
 14 LEU  QD2    51 PRO  HD2     6.53                
 14 LEU  QD2    51 PRO  HD3     6.53                
 14 LEU  QQD    15 THR  HN      6.05                
 14 LEU  QQD    37 VAL  HN      7.51                
 14 LEU  QQD    48 CYSS QB      6.70                
 14 LEU  QQD    50 ASP- HN      5.34                
 14 LEU  QQD    50 ASP- HA      6.21                
 14 LEU  QQD    50 ASP- QB      5.27                
 14 LEU  QQD    51 PRO  QD      5.92                
 14 LEU  QQD    56 VAL  QG1     9.13                
 15 THR  HN     15 THR  HA      2.56                
 15 THR  HN     48 CYSS HN      4.38                
 15 THR  HN     49 ALA  HA      3.61                
 15 THR  HN     49 ALA  QB      6.37                
 15 THR  HA     17 GLN  HN      3.58                
 15 THR  HA     49 ALA  QB      5.07                
 15 THR  HB     16 THR  HN      3.42                
 15 THR  HB     16 THR  HB      3.92                
 15 THR  QG2    16 THR  HN      5.32                
 15 THR  QG2    17 GLN  HN      4.67                
 15 THR  QG2    47 VAL  QQG     7.47                
 15 THR  QG2    49 ALA  HA      4.73                
 15 THR  QG2    49 ALA  QB      5.73                
 15 THR  QG2    50 ASP- HN      6.19                
 15 THR  QG2    55 TRP  HZ2     4.61                
 15 THR  QG2    55 TRP  HH2     5.38                
 16 THR  HN     16 THR  HB      3.48                
 16 THR  HN     16 THR  QG2     4.57                
 16 THR  HN     17 GLN  HN      2.62                
 16 THR  HA     16 THR  HB      2.77                
 16 THR  HA     17 GLN  HN      3.45                
 16 THR  HA     17 GLN  QG      6.38                
 16 THR  QG2    17 GLN  HN      5.47                
 17 GLN  HN     17 GLN  QB      3.50                
 17 GLN  HN     17 GLN  QG      5.14                
 17 GLN  HN     18 ARG+ HN      3.73                
 17 GLN  HA     17 GLN  HB2     2.96                
 17 GLN  HA     17 GLN  HB3     2.96                
 17 GLN  HA     18 ARG+ HN      2.43                
 17 GLN  HA     18 ARG+ QG      6.13                
 17 GLN  QG     18 ARG+ HN      5.82                
 17 GLN  QG     18 ARG+ QG      7.25                
 18 ARG+ HN     18 ARG+ HA      2.90                
 18 ARG+ HN     18 ARG+ HB2     3.02                
 18 ARG+ HN     18 ARG+ HB3     3.02                
 18 ARG+ HN     18 ARG+ QB      2.83                
 18 ARG+ HN     18 ARG+ HG2     4.51                
 18 ARG+ HN     18 ARG+ HG3     4.51                
 18 ARG+ HN     18 ARG+ QG      4.30                
 18 ARG+ HN     18 ARG+ QD      6.38                
 18 ARG+ HA     18 ARG+ QG      3.99                
 18 ARG+ HA     18 ARG+ QD      6.38                
 18 ARG+ HA     19 LEU  HN      3.11                
 18 ARG+ HA     19 LEU  QB      5.35                
 18 ARG+ HA     39 PHE  QE      7.62                
 18 ARG+ QB     18 ARG+ QG      2.47                
 18 ARG+ QB     55 TRP  QB      7.25                
 18 ARG+ HG2    55 TRP  HB2     7.10                
 18 ARG+ HG2    55 TRP  HB3     7.10                
 18 ARG+ HG3    55 TRP  HB2     7.10                
 18 ARG+ HG3    55 TRP  HB3     7.10                
 18 ARG+ QG     19 LEU  HN      6.19                
 18 ARG+ QG     55 TRP  QB      6.04                
 18 ARG+ QG     55 TRP  HZ2     6.22                
 18 ARG+ QD     55 TRP  HB2     6.38                
 18 ARG+ QD     55 TRP  HB3     6.38                
 19 LEU  HN     19 LEU  HG      5.50                
 19 LEU  HN     19 LEU  QD1     6.16                
 19 LEU  HN     19 LEU  QD2     6.16                
 19 LEU  HN     19 LEU  QQD     5.87                
 19 LEU  HN     24 ILE  QD1     6.28                
 19 LEU  HA     19 LEU  QD1     4.79                
 19 LEU  HA     19 LEU  QD2     4.79                
 19 LEU  HA     19 LEU  QQD     4.30                
 19 LEU  HA     20 PRO  HD2     3.14                
 19 LEU  HA     20 PRO  HD3     3.14                
 19 LEU  HA     20 PRO  QD      2.94                
 19 LEU  QB     20 PRO  QB      6.93                
 19 LEU  QB     20 PRO  HD2     6.38                
 19 LEU  QB     20 PRO  HD3     6.38                
 19 LEU  QB     20 PRO  QD      6.25                
 19 LEU  QB     24 ILE  HA      6.38                
 19 LEU  QB     24 ILE  QG1     7.25                
 19 LEU  QB     24 ILE  QD1     7.22                
 19 LEU  QB     55 TRP  HZ3     6.38                
 19 LEU  HG     20 PRO  QG      6.38                
 19 LEU  QD1    20 PRO  HD2     7.29                
 19 LEU  QD1    20 PRO  HD3     7.29                
 19 LEU  QD1    24 ILE  QD1     7.52                
 19 LEU  QD1    47 VAL  HB      5.69                
 19 LEU  QD1    47 VAL  QG1     9.61                
 19 LEU  QD1    47 VAL  QG2     9.61                
 19 LEU  QD2    20 PRO  HD2     7.29                
 19 LEU  QD2    20 PRO  HD3     7.29                
 19 LEU  QD2    24 ILE  QD1     7.52                
 19 LEU  QD2    47 VAL  HB      5.69                
 19 LEU  QD2    47 VAL  QG1     9.61                
 19 LEU  QD2    47 VAL  QG2     9.61                
 19 LEU  QQD    20 PRO  QD      5.07                
 19 LEU  QQD    21 VAL  QQG    10.69                
 19 LEU  QQD    23 ARG+ QB      8.48                
 19 LEU  QQD    23 ARG+ QG      8.79                
 19 LEU  QQD    23 ARG+ QD      8.48                
 19 LEU  QQD    24 ILE  QG2     9.13                
 19 LEU  QQD    24 ILE  QD1     7.12                
 19 LEU  QQD    39 PHE  QB      8.82                
 19 LEU  QQD    47 VAL  HB      5.30                
 19 LEU  QQD    47 VAL  QQG     7.61                
 19 LEU  QQD    55 TRP  HZ2     7.79                
 19 LEU  QQD    55 TRP  HH2     7.57                
 20 PRO  HA     21 VAL  HN      2.52                
 20 PRO  HA     21 VAL  QQG     7.13                
 20 PRO  HA     22 SER  HN      3.79                
 20 PRO  QB     21 VAL  HN      4.05                
 20 PRO  QB     21 VAL  QQG     8.03                
 20 PRO  QB     22 SER  HN      4.33                
 20 PRO  QB     23 ARG+ HN      4.27                
 20 PRO  QB     24 ILE  QD1     7.06                
 20 PRO  QG     22 SER  HN      6.38                
 20 PRO  QG     23 ARG+ HN      6.38                
 20 PRO  HD2    23 ARG+ QG      6.38                
 20 PRO  HD3    23 ARG+ QG      6.38                
 20 PRO  QD     23 ARG+ QD      6.51                
 21 VAL  HN     21 VAL  HB      2.87                
 21 VAL  HN     21 VAL  QG1     4.57                
 21 VAL  HN     21 VAL  QG2     4.57                
 21 VAL  HN     22 SER  HN      3.36                
 21 VAL  HN     24 ILE  QD1     6.16                
 21 VAL  HA     21 VAL  HB      2.99                
 21 VAL  HA     23 ARG+ HN      4.26                
 21 VAL  HA     24 ILE  HN      3.67                
 21 VAL  HA     24 ILE  HB      3.52                
 21 VAL  HA     24 ILE  HG12    4.23                
 21 VAL  HA     24 ILE  HG13    4.23                
 21 VAL  HA     24 ILE  QG1     4.07                
 21 VAL  HA     24 ILE  QD1     4.39                
 21 VAL  HA     59 VAL  QG1     5.47                
 21 VAL  HA     59 VAL  QG2     5.47                
 21 VAL  HA     59 VAL  QQG     5.17                
 21 VAL  HB     22 SER  HN      3.61                
 21 VAL  HB     24 ILE  QD1     6.00                
 21 VAL  HB     59 VAL  QG1     5.35                
 21 VAL  HB     59 VAL  QG2     5.35                
 21 VAL  HB     59 VAL  QQG     4.94                
 21 VAL  QG1    22 SER  HN      5.60                
 21 VAL  QG1    59 VAL  HA      5.97                
 21 VAL  QG1    59 VAL  QG1     8.94                
 21 VAL  QG1    59 VAL  QG2     8.94                
 21 VAL  QG1    62 SER  HB2     8.41                
 21 VAL  QG1    62 SER  HB3     8.41                
 21 VAL  QG1    63 MET  HG2     8.06                
 21 VAL  QG1    63 MET  HG3     8.06                
 21 VAL  QG2    22 SER  HN      5.60                
 21 VAL  QG2    59 VAL  HA      5.97                
 21 VAL  QG2    59 VAL  QG1     8.94                
 21 VAL  QG2    59 VAL  QG2     8.94                
 21 VAL  QG2    62 SER  HB2     8.41                
 21 VAL  QG2    62 SER  HB3     8.41                
 21 VAL  QG2    63 MET  HG2     8.06                
 21 VAL  QG2    63 MET  HG3     8.06                
 21 VAL  QQG    22 SER  HN      4.96                
 21 VAL  QQG    22 SER  HA      7.19                
 21 VAL  QQG    24 ILE  HN      8.09                
 21 VAL  QQG    24 ILE  QG1     8.25                
 21 VAL  QQG    24 ILE  QD1     8.90                
 21 VAL  QQG    59 VAL  HA      5.17                
 21 VAL  QQG    59 VAL  HB      7.75                
 21 VAL  QQG    59 VAL  QQG     6.58                
 21 VAL  QQG    62 SER  QB      6.65                
 21 VAL  QQG    63 MET  HA      7.25                
 21 VAL  QQG    63 MET  QG      6.02                
 22 SER  HN     22 SER  HB2     3.02                
 22 SER  HN     22 SER  HB3     3.02                
 22 SER  HN     23 ARG+ HN      3.24                
 22 SER  HN     24 ILE  HN      3.92                
 22 SER  HA     22 SER  HB2     2.96                
 22 SER  HA     22 SER  HB3     2.96                
 22 SER  QB     23 ARG+ QD      6.26                
 23 ARG+ HN     23 ARG+ HB2     3.55                
 23 ARG+ HN     23 ARG+ HB3     3.55                
 23 ARG+ HN     23 ARG+ QB      3.25                
 23 ARG+ HN     23 ARG+ QG      5.48                
 23 ARG+ HN     23 ARG+ HD2     4.35                
 23 ARG+ HN     23 ARG+ HD3     4.35                
 23 ARG+ HN     23 ARG+ QD      4.11                
 23 ARG+ HN     24 ILE  HN      2.90                
 23 ARG+ HA     23 ARG+ HB2     2.90                
 23 ARG+ HA     23 ARG+ HB3     2.90                
 23 ARG+ HA     23 ARG+ HD2     3.39                
 23 ARG+ HA     23 ARG+ HD3     3.39                
 23 ARG+ HA     23 ARG+ QD      3.17                
 23 ARG+ HA     24 ILE  HN      3.52                
 23 ARG+ HB2    23 ARG+ HD2     4.14                
 23 ARG+ HB2    23 ARG+ HD3     4.14                
 23 ARG+ HB3    23 ARG+ HD2     4.14                
 23 ARG+ HB3    23 ARG+ HD3     4.14                
 23 ARG+ QB     23 ARG+ QD      3.15                
 23 ARG+ QB     24 ILE  HA      5.11                
 23 ARG+ QB     41 THR  QG2     6.47                
 24 ILE  HN     24 ILE  HB      2.83                
 24 ILE  HN     24 ILE  HG12    3.95                
 24 ILE  HN     24 ILE  HG13    3.95                
 24 ILE  HN     24 ILE  QG1     3.70                
 24 ILE  HN     24 ILE  QD1     5.50                
 24 ILE  HN     42 LYS+ QD      6.38                
 24 ILE  HN     42 LYS+ QE      6.38                
 24 ILE  HN     63 MET  QE      6.06                
 24 ILE  HA     25 LYS+ HN      3.02                
 24 ILE  HA     41 THR  HA      3.27                
 24 ILE  HA     42 LYS+ HN      3.73                
 24 ILE  HB     25 LYS+ HN      4.23                
 24 ILE  HB     42 LYS+ QE      5.85                
 24 ILE  QG2    25 LYS+ HN      5.16                
 24 ILE  QG2    25 LYS+ HA      5.47                
 24 ILE  QG2    25 LYS+ HB2     6.00                
 24 ILE  QG2    25 LYS+ HB3     6.00                
 24 ILE  QG2    25 LYS+ QB      5.87                
 24 ILE  QG2    26 THR  HN      5.07                
 24 ILE  QG2    39 PHE  HA      6.19                
 24 ILE  QG2    39 PHE  QB      6.47                
 24 ILE  QG2    39 PHE  QD      8.65                
 24 ILE  QG2    41 THR  HA      6.00                
 24 ILE  QG2    42 LYS+ HN      6.12                
 24 ILE  QG2    42 LYS+ QE      6.26                
 24 ILE  QG2    63 MET  QE      5.29                
 24 ILE  QD1    25 LYS+ HN      6.40                
 24 ILE  QD1    27 TYR  QD      8.67                
 24 ILE  QD1    39 PHE  QB      7.16                
 24 ILE  QD1    41 THR  QG2     6.19                
 24 ILE  QD1    59 VAL  QG1     7.00                
 24 ILE  QD1    59 VAL  QG2     7.00                
 24 ILE  QD1    59 VAL  QQG     6.30                
 24 ILE  QD1    63 MET  QE      7.46                
 25 LYS+ HN     25 LYS+ HB2     3.61                
 25 LYS+ HN     25 LYS+ HB3     3.61                
 25 LYS+ HN     25 LYS+ QG      5.17                
 25 LYS+ HN     25 LYS+ QD      5.23                
 25 LYS+ HN     26 THR  HN      3.24                
 25 LYS+ HN     41 THR  HA      3.24                
 25 LYS+ HN     41 THR  HB      5.19                
 25 LYS+ HN     41 THR  QG2     5.07                
 25 LYS+ HN     42 LYS+ HN      3.83                
 25 LYS+ HA     25 LYS+ HB2     3.02                
 25 LYS+ HA     25 LYS+ HB3     3.02                
 25 LYS+ HA     25 LYS+ HG2     3.52                
 25 LYS+ HA     25 LYS+ HG3     3.52                
 25 LYS+ HA     25 LYS+ HD2     4.07                
 25 LYS+ HA     25 LYS+ HD3     4.07                
 25 LYS+ HA     25 LYS+ QD      3.88                
 25 LYS+ HA     25 LYS+ QE      5.63                
 25 LYS+ HA     42 LYS+ HE2     4.66                
 25 LYS+ HA     42 LYS+ HE3     4.66                
 25 LYS+ HA     42 LYS+ QE      4.35                
 25 LYS+ HB2    25 LYS+ QE      4.33                
 25 LYS+ HB2    26 THR  HN      3.39                
 25 LYS+ HB2    26 THR  QG2     6.19                
 25 LYS+ HB2    42 LYS+ HN      5.25                
 25 LYS+ HB3    25 LYS+ QE      4.33                
 25 LYS+ HB3    26 THR  HN      3.39                
 25 LYS+ HB3    26 THR  QG2     6.19                
 25 LYS+ HB3    42 LYS+ HN      5.25                
 25 LYS+ QB     25 LYS+ QG      2.49                
 25 LYS+ QB     25 LYS+ QE      4.05                
 25 LYS+ QB     26 THR  QG2     5.94                
 25 LYS+ QB     40 ILE  HB      5.94                
 25 LYS+ QB     41 THR  HA      6.28                
 25 LYS+ QB     41 THR  HB      6.00                
 25 LYS+ QB     42 LYS+ HN      5.07                
 25 LYS+ QB     67 SER  QB      6.82                
 25 LYS+ HG2    25 LYS+ HD2     2.96                
 25 LYS+ HG2    25 LYS+ HD3     2.96                
 25 LYS+ HG2    25 LYS+ QE      3.96                
 25 LYS+ HG3    25 LYS+ HD2     2.96                
 25 LYS+ HG3    25 LYS+ HD3     2.96                
 25 LYS+ HG3    25 LYS+ QE      3.96                
 25 LYS+ QG     26 THR  HN      4.58                
 25 LYS+ QG     67 SER  QB      6.17                
 25 LYS+ QD     67 SER  HA      5.60                
 25 LYS+ QE     26 THR  QG2     6.50                
 25 LYS+ QE     67 SER  HA      6.38                
 26 THR  HN     26 THR  HB      3.92                
 26 THR  HN     40 ILE  HN      3.52                
 26 THR  HN     40 ILE  HB      3.98                
 26 THR  HN     40 ILE  QG2     4.51                
 26 THR  HN     63 MET  QE      5.19                
 26 THR  HA     26 THR  HB      2.93                
 26 THR  HA     27 TYR  HN      2.83                
 26 THR  HA     40 ILE  QD1     6.53                
 26 THR  HA     63 MET  QE      4.05                
 26 THR  HB     40 ILE  QG1     6.16                
 26 THR  HB     40 ILE  QD1     6.53                
 26 THR  QG2    27 TYR  HN      4.98                
 26 THR  QG2    39 PHE  HA      6.40                
 26 THR  QG2    40 ILE  HN      6.06                
 26 THR  QG2    40 ILE  HB      4.88                
 26 THR  QG2    40 ILE  QG1     5.48                
 26 THR  QG2    40 ILE  QD1     7.15                
 26 THR  QG2    63 MET  QE      7.00                
 27 TYR  HN     27 TYR  HB2     3.98                
 27 TYR  HN     27 TYR  HB3     3.98                
 27 TYR  HN     63 MET  QE      5.13                
 27 TYR  HA     28 THR  HN      2.83                
 27 TYR  HA     28 THR  QG2     6.16                
 27 TYR  HA     37 VAL  QQG     7.90                
 27 TYR  HA     38 ILE  HB      5.44                
 27 TYR  HA     39 PHE  HA      3.14                
 27 TYR  HA     39 PHE  QD      7.28                
 27 TYR  HA     39 PHE  QE      7.62                
 27 TYR  HA     40 ILE  HN      3.95                
 27 TYR  HA     63 MET  QE      6.03                
 27 TYR  HB2    37 VAL  QG1     8.78                
 27 TYR  HB2    37 VAL  QG2     8.78                
 27 TYR  HB3    37 VAL  QG1     8.78                
 27 TYR  HB3    37 VAL  QG2     8.78                
 27 TYR  QB     28 THR  HN      3.38                
 27 TYR  QB     29 ILE  QG1     6.69                
 27 TYR  QB     37 VAL  QQG     7.00                
 27 TYR  QB     39 PHE  HN      5.60                
 27 TYR  QB     39 PHE  HA      5.26                
 27 TYR  QD     28 THR  HN      7.39                
 27 TYR  QD     28 THR  HA      7.64                
 27 TYR  QD     29 ILE  HN      7.64                
 27 TYR  QD     37 VAL  QQG     9.33                
 27 TYR  QD     39 PHE  QD      9.76                
 27 TYR  QD     39 PHE  QE      9.76                
 27 TYR  QD     59 VAL  QQG     9.30                
 27 TYR  QD     60 VAL  QG1     8.36                
 27 TYR  QD     60 VAL  QG2     8.67                
 27 TYR  QD     63 MET  QE      7.58                
 27 TYR  QE     28 THR  HA      7.63                
 27 TYR  QE     29 ILE  HN      7.63                
 27 TYR  QE     29 ILE  QG1     8.32                
 27 TYR  QE     29 ILE  QD1     8.20                
 27 TYR  QE     37 VAL  QQG    10.16                
 27 TYR  QE     59 VAL  QQG     9.85                
 27 TYR  QE     60 VAL  HA      7.63                
 27 TYR  QE     60 VAL  QG1     8.66                
 27 TYR  QE     63 MET  QE      7.92                
 27 TYR  QE     64 ASP- HN      7.63                
 28 THR  HN     28 THR  HB      3.76                
 28 THR  HN     37 VAL  QQG     7.65                
 28 THR  HN     38 ILE  HB      4.29                
 28 THR  HN     38 ILE  QG2     6.06                
 28 THR  HN     39 PHE  HA      4.23                
 28 THR  HN     39 PHE  QD      7.62                
 28 THR  HA     28 THR  HB      2.96                
 28 THR  HA     29 ILE  HN      2.59                
 28 THR  HB     38 ILE  HB      4.32                
 28 THR  HB     38 ILE  QG2     6.03                
 28 THR  HB     38 ILE  QD1     6.25                
 28 THR  QG2    29 ILE  HN      4.64                
 28 THR  QG2    38 ILE  HN      5.97                
 28 THR  QG2    38 ILE  HB      4.36                
 28 THR  QG2    38 ILE  QG2     6.01                
 28 THR  QG2    38 ILE  QD1     6.87                
 29 ILE  HN     29 ILE  HB      2.87                
 29 ILE  HN     29 ILE  HG12    4.20                
 29 ILE  HN     29 ILE  HG13    4.20                
 29 ILE  HN     29 ILE  QG1     4.04                
 29 ILE  HN     29 ILE  QD1     5.35                
 29 ILE  HA     30 THR  HN      2.83                
 29 ILE  HB     29 ILE  QG1     2.68                
 29 ILE  HB     37 VAL  HA      4.63                
 29 ILE  QG2    29 ILE  QD1     4.46                
 29 ILE  QG2    30 THR  HN      4.33                
 29 ILE  QG2    30 THR  HA      5.54                
 29 ILE  QG2    36 ALA  HN      5.47                
 29 ILE  QG2    37 VAL  HA      5.07                
 29 ILE  QG2    37 VAL  QG1     7.56                
 29 ILE  QG2    37 VAL  QG2     7.56                
 29 ILE  QG2    37 VAL  QQG     7.02                
 29 ILE  HG12   37 VAL  QG1     8.28                
 29 ILE  HG12   37 VAL  QG2     8.28                
 29 ILE  HG13   37 VAL  QG1     8.28                
 29 ILE  HG13   37 VAL  QG2     8.28                
 29 ILE  QG1    30 THR  HN      6.04                
 29 ILE  QG1    37 VAL  QQG     6.31                
 29 ILE  QD1    37 VAL  HN      6.34                
 29 ILE  QD1    37 VAL  HA      4.57                
 29 ILE  QD1    37 VAL  QG1     7.34                
 29 ILE  QD1    37 VAL  QG2     7.34                
 29 ILE  QD1    37 VAL  QQG     6.73                
 30 THR  HN     30 THR  HB      3.76                
 30 THR  HN     30 THR  QG2     4.17                
 30 THR  HN     36 ALA  HN      3.36                
 30 THR  HN     36 ALA  QB      5.41                
 30 THR  HA     30 THR  HB      2.74                
 30 THR  HA     31 GLU- HN      2.56                
 30 THR  HA     31 GLU- QG      6.38                
 30 THR  HB     31 GLU- HN      2.96                
 30 THR  QG2    31 GLU- HN      5.01                
 30 THR  QG2    36 ALA  HN      4.57                
 31 GLU- HN     31 GLU- HB2     3.61                
 31 GLU- HN     31 GLU- HB3     3.61                
 31 GLU- HN     31 GLU- QB      3.25                
 31 GLU- HN     31 GLU- QG      5.11                
 31 GLU- HN     32 GLY  HN      3.11                
 31 GLU- HA     31 GLU- HB2     3.05                
 31 GLU- HA     31 GLU- HB3     3.05                
 31 GLU- HA     31 GLU- HG2     3.48                
 31 GLU- HA     31 GLU- HG3     3.48                
 31 GLU- HA     31 GLU- QG      3.26                
 31 GLU- HA     32 GLY  QA      4.98                
 31 GLU- HA     35 ARG+ HN      4.14                
 31 GLU- HA     35 ARG+ HA      3.58                
 31 GLU- HA     35 ARG+ HG2     4.60                
 31 GLU- HA     35 ARG+ HG3     4.60                
 31 GLU- HA     35 ARG+ QD      6.38                
 31 GLU- HB2    31 GLU- HG2     2.99                
 31 GLU- HB2    31 GLU- HG3     2.99                
 31 GLU- HB2    32 GLY  HN      3.52                
 31 GLU- HB3    31 GLU- HG2     2.99                
 31 GLU- HB3    31 GLU- HG3     2.99                
 31 GLU- HB3    32 GLY  HN      3.52                
 31 GLU- QB     31 GLU- QG      2.38                
 31 GLU- QB     35 ARG+ QG      6.69                
 31 GLU- QG     32 GLY  HN      5.97                
 31 GLU- QG     35 ARG+ QG      6.88                
 32 GLY  HN     32 GLY  HA1     2.87                
 32 GLY  HN     32 GLY  HA2     2.87                
 32 GLY  HN     34 LEU  HN      4.01                
 32 GLY  HN     35 ARG+ HN      3.73                
 32 GLY  HN     35 ARG+ QB      5.63                
 32 GLY  HN     35 ARG+ QD      6.38                
 32 GLY  HA1    33 SER  HN      2.90                
 32 GLY  HA2    33 SER  HN      2.90                
 32 GLY  QA     33 SER  HN      2.63                
 32 GLY  QA     34 LEU  HN      4.73                
 33 SER  HN     33 SER  HA      2.68                
 33 SER  HN     34 LEU  HN      3.11                
 34 LEU  HN     34 LEU  HB2     3.27                
 34 LEU  HN     34 LEU  HB3     3.27                
 34 LEU  HN     34 LEU  QB      3.05                
 34 LEU  HN     34 LEU  HG      3.84                
 34 LEU  HN     34 LEU  QD1     6.53                
 34 LEU  HN     34 LEU  QD2     6.53                
 34 LEU  HN     35 ARG+ HN      3.64                
 34 LEU  HA     34 LEU  HB2     2.93                
 34 LEU  HA     34 LEU  HB3     2.93                
 34 LEU  HA     34 LEU  HG      3.21                
 34 LEU  HA     34 LEU  QD1     4.95                
 34 LEU  HA     34 LEU  QD2     4.95                
 34 LEU  HA     34 LEU  QQD     4.36                
 34 LEU  HB2    35 ARG+ HN      4.04                
 34 LEU  HB3    35 ARG+ HN      4.04                
 34 LEU  QB     34 LEU  HG      2.60                
 34 LEU  QB     35 ARG+ HN      3.66                
 34 LEU  QQD    35 ARG+ HN      6.76                
 34 LEU  QQD    35 ARG+ HA      7.94                
 35 ARG+ HN     35 ARG+ QD      6.38                
 35 ARG+ HN     36 ALA  HN      3.61                
 35 ARG+ HA     35 ARG+ HG2     4.07                
 35 ARG+ HA     35 ARG+ HG3     4.07                
 35 ARG+ HA     35 ARG+ QG      3.70                
 35 ARG+ HA     35 ARG+ QD      5.11                
 36 ALA  HA     37 VAL  HN      2.83                
 36 ALA  HA     37 VAL  QQG     7.22                
 36 ALA  HA     51 PRO  QG      5.32                
 36 ALA  HA     51 PRO  QD      4.14                
 36 ALA  QB     37 VAL  HN      3.99                
 36 ALA  QB     48 CYSS HA      5.75                
 36 ALA  QB     48 CYSS QB      5.85                
 36 ALA  QB     49 ALA  HN      5.44                
 36 ALA  QB     50 ASP- HN      6.43                
 36 ALA  QB     51 PRO  QG      7.40                
 36 ALA  QB     51 PRO  QD      6.44                
 37 VAL  HN     49 ALA  HN      3.67                
 37 VAL  HN     49 ALA  QB      5.97                
 37 VAL  HA     37 VAL  HB      2.40                
 37 VAL  HA     38 ILE  HN      2.77                
 37 VAL  HA     38 ILE  QD1     5.78                
 37 VAL  HB     38 ILE  HN      3.58                
 37 VAL  HB     49 ALA  QB      5.35                
 37 VAL  HB     51 PRO  QD      6.38                
 37 VAL  QG1    38 ILE  HN      6.25                
 37 VAL  QG1    49 ALA  QB      7.56                
 37 VAL  QG1    51 PRO  HA      6.09                
 37 VAL  QG1    51 PRO  HB2     8.47                
 37 VAL  QG1    51 PRO  HB3     8.47                
 37 VAL  QG2    38 ILE  HN      6.25                
 37 VAL  QG2    49 ALA  QB      7.56                
 37 VAL  QG2    51 PRO  HA      6.09                
 37 VAL  QG2    51 PRO  HB2     8.47                
 37 VAL  QG2    51 PRO  HB3     8.47                
 37 VAL  QQG    38 ILE  HN      5.37                
 37 VAL  QQG    38 ILE  QG2     9.12                
 37 VAL  QQG    39 PHE  QD     10.21                
 37 VAL  QQG    39 PHE  QE      9.34                
 37 VAL  QQG    50 ASP- HN      7.65                
 37 VAL  QQG    51 PRO  HA      5.05                
 37 VAL  QQG    51 PRO  QB      6.55                
 37 VAL  QQG    51 PRO  QG      7.85                
 37 VAL  QQG    56 VAL  QG1     8.62                
 37 VAL  QQG    56 VAL  QG2     9.12                
 37 VAL  QQG    60 VAL  QG1     9.12                
 37 VAL  QQG    60 VAL  QG2     8.40                
 38 ILE  HN     38 ILE  HB      3.14                
 38 ILE  HN     38 ILE  HG12    4.72                
 38 ILE  HN     38 ILE  HG13    4.72                
 38 ILE  HN     38 ILE  QG1     4.43                
 38 ILE  HN     38 ILE  QD1     5.32                
 38 ILE  HA     38 ILE  QD1     4.92                
 38 ILE  HA     39 PHE  HN      2.83                
 38 ILE  HA     39 PHE  QB      6.13                
 38 ILE  HA     48 CYSS HA      3.08                
 38 ILE  HA     48 CYSS HB2     5.16                
 38 ILE  HA     48 CYSS HB3     5.16                
 38 ILE  HA     48 CYSS QB      4.93                
 38 ILE  HA     49 ALA  HN      3.86                
 38 ILE  QG2    38 ILE  QD1     4.46                
 38 ILE  QG2    39 PHE  HN      5.01                
 38 ILE  QG2    39 PHE  QB      6.63                
 38 ILE  QG2    40 ILE  HN      6.03                
 38 ILE  QG2    40 ILE  HA      6.12                
 38 ILE  QG2    47 VAL  HN      5.23                
 38 ILE  QG2    48 CYSS HA      5.04                
 38 ILE  QG2    48 CYSS QB      6.44                
 38 ILE  QD1    39 PHE  HN      5.41                
 38 ILE  QD1    39 PHE  QB      7.34                
 38 ILE  QD1    48 CYSS HN      6.40                
 38 ILE  QD1    48 CYSS HB2     5.97                
 38 ILE  QD1    48 CYSS HB3     5.97                
 38 ILE  QD1    48 CYSS QB      5.53                
 38 ILE  QD1    49 ALA  HN      6.53                
 39 PHE  HN     47 VAL  HB      5.50                
 39 PHE  HN     47 VAL  QQG     7.90                
 39 PHE  HN     48 CYSS HA      3.55                
 39 PHE  HA     40 ILE  HN      2.90                
 39 PHE  QB     47 VAL  HB      5.57                
 39 PHE  QB     47 VAL  QG1     7.40                
 39 PHE  QB     47 VAL  QG2     7.40                
 39 PHE  QB     47 VAL  QQG     7.08                
 39 PHE  QD     40 ILE  HN      7.40                
 39 PHE  QD     47 VAL  QQG     9.62                
 39 PHE  QD     49 ALA  QB      8.65                
 39 PHE  QE     47 VAL  QQG    10.15                
 39 PHE  QE     49 ALA  QB      7.60                
 39 PHE  QE     56 VAL  HA      7.62                
 39 PHE  QE     56 VAL  QG1     7.25                
 39 PHE  QE     56 VAL  QG2     7.69                
 39 PHE  QE     59 VAL  HN      7.62                
 39 PHE  QE     59 VAL  QQG     9.09                
 39 PHE  QE     60 VAL  HN      7.62                
 39 PHE  QE     60 VAL  QG2     7.53                
 40 ILE  HN     40 ILE  HB      3.33                
 40 ILE  HN     40 ILE  HG12    4.54                
 40 ILE  HN     40 ILE  HG13    4.54                
 40 ILE  HN     40 ILE  QG1     4.36                
 40 ILE  HN     40 ILE  QD1     6.16                
 40 ILE  HN     46 LYS+ QE      6.38                
 40 ILE  HA     40 ILE  QD1     4.51                
 40 ILE  HA     41 THR  HN      2.80                
 40 ILE  HB     41 THR  HN      4.17                
 40 ILE  QG2    41 THR  HN      4.73                
 40 ILE  QG2    41 THR  HA      5.75                
 40 ILE  QG2    44 GLY  HA1     5.13                
 40 ILE  QG2    44 GLY  HA2     5.13                
 40 ILE  QG2    44 GLY  QA      4.86                
 40 ILE  QG2    45 LEU  HN      6.22                
 40 ILE  QG2    46 LYS+ HN      6.25                
 40 ILE  QG2    46 LYS+ HA      5.32                
 40 ILE  QG2    46 LYS+ QG      7.40                
 40 ILE  QG2    46 LYS+ QE      6.50                
 40 ILE  HG12   47 VAL  HN      5.25                
 40 ILE  HG13   47 VAL  HN      5.25                
 40 ILE  QG1    46 LYS+ QE      7.25                
 40 ILE  QD1    41 THR  HN      6.34                
 40 ILE  QD1    46 LYS+ HB2     5.69                
 40 ILE  QD1    46 LYS+ HB3     5.69                
 40 ILE  QD1    46 LYS+ QB      5.54                
 40 ILE  QD1    46 LYS+ QG      6.66                
 40 ILE  QD1    46 LYS+ QD      5.76                
 40 ILE  QD1    46 LYS+ QE      6.85                
 41 THR  HN     41 THR  QG2     4.39                
 41 THR  HN     44 GLY  HN      4.11                
 41 THR  HN     45 LEU  HN      3.58                
 41 THR  HA     41 THR  HB      2.83                
 41 THR  HA     42 LYS+ HN      2.80                
 41 THR  HB     42 LYS+ HN      2.93                
 41 THR  HB     43 ARG+ HN      3.61                
 41 THR  HB     45 LEU  HN      3.92                
 41 THR  QG2    42 LYS+ HN      4.36                
 41 THR  QG2    43 ARG+ HN      5.72                
 41 THR  QG2    45 LEU  HN      5.63                
 41 THR  QG2    45 LEU  QB      6.20                
 42 LYS+ HN     42 LYS+ QB      3.12                
 42 LYS+ HN     42 LYS+ QG      5.45                
 42 LYS+ HN     42 LYS+ QD      6.28                
 42 LYS+ HN     42 LYS+ QE      6.38                
 42 LYS+ HN     43 ARG+ HN      3.45                
 42 LYS+ HN     44 GLY  HN      4.35                
 42 LYS+ HA     42 LYS+ QD      5.38                
 42 LYS+ HA     42 LYS+ HE2     5.50                
 42 LYS+ HA     42 LYS+ HE3     5.50                
 42 LYS+ HA     42 LYS+ QE      4.90                
 42 LYS+ HA     44 GLY  HN      3.70                
 42 LYS+ HB2    42 LYS+ HE2     5.19                
 42 LYS+ HB2    42 LYS+ HE3     5.19                
 42 LYS+ HB3    42 LYS+ HE2     5.19                
 42 LYS+ HB3    42 LYS+ HE3     5.19                
 42 LYS+ QB     42 LYS+ QE      4.54                
 42 LYS+ QB     43 ARG+ HN      4.49                
 42 LYS+ QG     43 ARG+ HN      6.38                
 43 ARG+ HN     43 ARG+ HB2     3.36                
 43 ARG+ HN     43 ARG+ HB3     3.36                
 43 ARG+ HN     43 ARG+ QB      3.00                
 43 ARG+ HN     43 ARG+ QG      5.01                
 43 ARG+ HN     43 ARG+ QD      6.38                
 43 ARG+ HN     44 GLY  HN      3.02                
 43 ARG+ HN     45 LEU  HN      3.83                
 43 ARG+ HA     43 ARG+ HG2     3.21                
 43 ARG+ HA     43 ARG+ HG3     3.21                
 43 ARG+ HA     43 ARG+ QG      2.93                
 43 ARG+ HA     43 ARG+ QD      4.80                
 43 ARG+ HA     44 GLY  HN      3.52                
 43 ARG+ QB     43 ARG+ QG      2.45                
 43 ARG+ QB     43 ARG+ QD      3.67                
 43 ARG+ QB     45 LEU  QQD     8.11                
 43 ARG+ QG     44 GLY  HN      5.42                
 43 ARG+ QD     45 LEU  QQD     8.97                
 44 GLY  HN     44 GLY  HA1     2.93                
 44 GLY  HN     44 GLY  HA2     2.93                
 44 GLY  HN     45 LEU  HN      2.90                
 45 LEU  HN     45 LEU  HG      3.79                
 45 LEU  HN     45 LEU  QD1     5.63                
 45 LEU  HN     45 LEU  QD2     5.63                
 45 LEU  HN     45 LEU  QQD     5.26                
 45 LEU  HA     45 LEU  HG      3.98                
 45 LEU  HA     45 LEU  QD1     4.61                
 45 LEU  HA     45 LEU  QD2     4.61                
 45 LEU  HA     45 LEU  QQD     4.06                
 45 LEU  QB     46 LYS+ HN      4.80                
 45 LEU  HG     46 LYS+ HN      4.11                
 45 LEU  QD1    46 LYS+ HN      6.06                
 45 LEU  QD2    46 LYS+ HN      6.06                
 45 LEU  QQD    46 LYS+ HN      5.38                
 46 LYS+ HN     46 LYS+ QB      3.79                
 46 LYS+ HN     46 LYS+ QG      4.58                
 46 LYS+ HN     46 LYS+ HD2     4.97                
 46 LYS+ HN     46 LYS+ HD3     4.97                
 46 LYS+ HN     46 LYS+ QD      4.83                
 46 LYS+ HA     46 LYS+ QD      5.17                
 46 LYS+ HA     46 LYS+ QE      6.38                
 46 LYS+ HA     47 VAL  HN      2.71                
 46 LYS+ HA     47 VAL  QG1     6.19                
 46 LYS+ HA     47 VAL  QG2     6.19                
 46 LYS+ HA     47 VAL  QQG     5.70                
 46 LYS+ HB2    46 LYS+ HD2     3.95                
 46 LYS+ HB2    46 LYS+ HD3     3.95                
 46 LYS+ HB2    46 LYS+ QE      4.05                
 46 LYS+ HB3    46 LYS+ HD2     3.95                
 46 LYS+ HB3    46 LYS+ HD3     3.95                
 46 LYS+ HB3    46 LYS+ QE      4.05                
 46 LYS+ QB     46 LYS+ QD      3.06                
 46 LYS+ QB     46 LYS+ QE      3.68                
 46 LYS+ QB     47 VAL  HN      4.64                
 46 LYS+ QG     47 VAL  HN      6.35                
 46 LYS+ QD     47 VAL  HN      6.04                
 46 LYS+ QE     47 VAL  HN      6.38                
 47 VAL  HN     47 VAL  HB      3.27                
 47 VAL  HA     48 CYSS HN      2.56                
 47 VAL  HB     48 CYSS HN      4.17                
 47 VAL  QG1    48 CYSS HN      5.60                
 47 VAL  QG2    48 CYSS HN      5.60                
 47 VAL  QQG    48 CYSS HN      4.88                
 48 CYSS HN     48 CYSS QB      3.70                
 48 CYSS HA     49 ALA  HN      2.90                
 48 CYSS HA     49 ALA  QB      5.88                
 48 CYSS HB2    49 ALA  HN      4.29                
 48 CYSS HB3    49 ALA  HN      4.29                
 48 CYSS QB     49 ALA  HN      4.01                
 49 ALA  HA     50 ASP- HN      2.77                
 49 ALA  QB     50 ASP- HN      4.17                
 49 ALA  QB     50 ASP- QB      6.41                
 49 ALA  QB     55 TRP  HZ2     4.92                
 49 ALA  QB     56 VAL  QG1     6.53                
 49 ALA  QB     56 VAL  QG2     6.01                
 50 ASP- HN     50 ASP- QB      3.54                
 50 ASP- HN     56 VAL  QG2     5.72                
 50 ASP- HA     51 PRO  QG      5.63                
 50 ASP- HA     51 PRO  HD2     3.08                
 50 ASP- HA     51 PRO  HD3     3.08                
 50 ASP- HA     52 GLN  HN      3.98                
 50 ASP- HB2    53 ALA  HN      4.26                
 50 ASP- HB2    53 ALA  QB      5.35                
 50 ASP- HB3    53 ALA  HN      4.26                
 50 ASP- HB3    53 ALA  QB      5.35                
 50 ASP- QB     53 ALA  HN      4.00                
 50 ASP- QB     53 ALA  QB      4.99                
 51 PRO  HA     56 VAL  QG1     4.23                
 51 PRO  HD2    52 GLN  HN      5.38                
 51 PRO  HD3    52 GLN  HN      5.38                
 51 PRO  QD     52 GLN  HN      4.74                
 51 PRO  QD     53 ALA  HN      6.38                
 52 GLN  HN     52 GLN  HB2     3.24                
 52 GLN  HN     52 GLN  HB3     3.24                
 52 GLN  HN     52 GLN  QB      2.97                
 52 GLN  HN     52 GLN  QG      4.67                
 52 GLN  HN     53 ALA  HN      2.83                
 52 GLN  HN     53 ALA  QB      5.66                
 52 GLN  HN     57 ARG+ QD      6.38                
 52 GLN  HA     52 GLN  HB2     3.02                
 52 GLN  HA     52 GLN  HB3     3.02                
 52 GLN  HA     52 GLN  HG2     3.64                
 52 GLN  HA     52 GLN  HG3     3.64                
 52 GLN  HA     52 GLN  QG      3.26                
 52 GLN  HA     53 ALA  HN      3.45                
 52 GLN  HA     57 ARG+ QD      5.79                
 52 GLN  HB2    52 GLN  HG2     2.93                
 52 GLN  HB2    52 GLN  HG3     2.93                
 52 GLN  HB3    52 GLN  HG2     2.93                
 52 GLN  HB3    52 GLN  HG3     2.93                
 52 GLN  QB     52 GLN  QG      2.37                
 52 GLN  QG     53 ALA  HA      5.14                
 53 ALA  HN     56 VAL  HB      3.55                
 53 ALA  HN     56 VAL  QG1     6.25                
 53 ALA  HN     56 VAL  QG2     6.34                
 53 ALA  HA     54 THR  HN      2.62                
 53 ALA  HA     55 TRP  HN      4.04                
 53 ALA  QB     54 THR  HN      4.39                
 53 ALA  QB     55 TRP  HN      5.60                
 53 ALA  QB     55 TRP  HD1     5.75                
 53 ALA  QB     55 TRP  HE1     5.29                
 53 ALA  QB     56 VAL  HN      4.88                
 53 ALA  QB     56 VAL  HA      5.50                
 53 ALA  QB     56 VAL  HB      4.61                
 53 ALA  QB     56 VAL  QG1     7.56                
 53 ALA  QB     56 VAL  QG2     6.01                
 53 ALA  QB     57 ARG+ HN      5.44                
 54 THR  HN     54 THR  HB      2.40                
 54 THR  HN     54 THR  QG2     4.26                
 54 THR  HN     55 TRP  HN      3.36                
 54 THR  HN     56 VAL  QG2     6.53                
 54 THR  HA     57 ARG+ HN      4.04                
 54 THR  HA     57 ARG+ QB      4.55                
 54 THR  HA     57 ARG+ QD      6.38                
 54 THR  HB     55 TRP  HN      2.99                
 54 THR  QG2    55 TRP  HN      4.85                
 54 THR  QG2    55 TRP  HA      5.81                
 54 THR  QG2    57 ARG+ HN      5.97                
 54 THR  QG2    57 ARG+ QD      7.40                
 55 TRP  HN     55 TRP  QB      3.66                
 55 TRP  HN     55 TRP  HD1     3.36                
 55 TRP  HN     56 VAL  HN      3.30                
 55 TRP  HN     56 VAL  QG2     6.34                
 55 TRP  HA     55 TRP  HB2     2.96                
 55 TRP  HA     55 TRP  HB3     2.96                
 55 TRP  HA     55 TRP  HE3     4.42                
 55 TRP  HA     58 ASP- HN      3.83                
 55 TRP  HA     58 ASP- HB2     3.42                
 55 TRP  HA     58 ASP- HB3     3.42                
 55 TRP  HA     58 ASP- QB      3.21                
 55 TRP  HA     59 VAL  QQG     7.22                
 55 TRP  QB     58 ASP- QB      6.94                
 55 TRP  HD1    56 VAL  HN      5.50                
 55 TRP  HE3    59 VAL  HN      5.50                
 55 TRP  HE3    59 VAL  QQG     6.35                
 55 TRP  HZ3    59 VAL  QQG     6.97                
 55 TRP  HZ2    56 VAL  QG2     6.16                
 56 VAL  HN     56 VAL  HB      3.17                
 56 VAL  HN     56 VAL  QG2     4.76                
 56 VAL  HN     57 ARG+ HN      3.17                
 56 VAL  HN     58 ASP- HN      3.89                
 56 VAL  HN     59 VAL  HN      4.57                
 56 VAL  HA     59 VAL  HN      3.86                
 56 VAL  HA     59 VAL  QG1     4.82                
 56 VAL  HA     59 VAL  QG2     4.82                
 56 VAL  HA     60 VAL  HN      4.11                
 56 VAL  HA     60 VAL  QG2     6.22                
 56 VAL  HB     57 ARG+ HN      3.48                
 56 VAL  QG1    57 ARG+ HN      5.66                
 56 VAL  QG1    57 ARG+ HA      6.19                
 56 VAL  QG1    57 ARG+ QG      6.82                
 56 VAL  QG1    59 VAL  QG1     7.40                
 56 VAL  QG1    59 VAL  QG2     7.40                
 56 VAL  QG1    59 VAL  QQG     6.98                
 56 VAL  QG2    57 ARG+ HN      5.75                
 56 VAL  QG2    58 ASP- HN      6.53                
 57 ARG+ HN     57 ARG+ QB      3.87                
 57 ARG+ HN     57 ARG+ HG2     4.69                
 57 ARG+ HN     57 ARG+ HG3     4.69                
 57 ARG+ HN     57 ARG+ QG      4.08                
 57 ARG+ HN     57 ARG+ QD      6.38                
 57 ARG+ HN     58 ASP- HN      3.14                
 57 ARG+ HA     57 ARG+ HG2     3.73                
 57 ARG+ HA     57 ARG+ HG3     3.73                
 57 ARG+ HA     57 ARG+ QG      3.55                
 57 ARG+ HA     57 ARG+ QD      5.66                
 57 ARG+ HA     58 ASP- HN      3.52                
 57 ARG+ HA     60 VAL  HN      3.64                
 57 ARG+ HA     60 VAL  HB      3.58                
 57 ARG+ HA     60 VAL  QG1     6.00                
 57 ARG+ HA     60 VAL  QG2     5.04                
 57 ARG+ QB     58 ASP- HN      4.27                
 57 ARG+ QG     58 ASP- HN      5.69                
 57 ARG+ QG     60 VAL  HN      5.66                
 58 ASP- HN     58 ASP- HB2     3.21                
 58 ASP- HN     58 ASP- HB3     3.21                
 58 ASP- HN     58 ASP- QB      2.94                
 58 ASP- HN     59 VAL  HN      3.24                
 58 ASP- HN     60 VAL  HN      3.79                
 58 ASP- HA     61 ARG+ HN      3.79                
 58 ASP- HA     61 ARG+ QD      6.38                
 58 ASP- HB2    59 VAL  HN      3.61                
 58 ASP- HB2    59 VAL  QG1     8.28                
 58 ASP- HB2    59 VAL  QG2     8.28                
 58 ASP- HB3    59 VAL  HN      3.61                
 58 ASP- HB3    59 VAL  QG1     8.28                
 58 ASP- HB3    59 VAL  QG2     8.28                
 58 ASP- QB     59 VAL  HN      3.30                
 58 ASP- QB     59 VAL  QQG     6.87                
 59 VAL  HN     59 VAL  QQG     4.31                
 59 VAL  HN     60 VAL  HN      3.17                
 59 VAL  HA     61 ARG+ HN      4.14                
 59 VAL  HA     62 SER  HN      3.48                
 59 VAL  HA     62 SER  HB2     3.36                
 59 VAL  HA     62 SER  HB3     3.36                
 59 VAL  QG1    60 VAL  HN      5.47                
 59 VAL  QG1    60 VAL  QG2     7.56                
 59 VAL  QG1    63 MET  HG2     8.50                
 59 VAL  QG1    63 MET  HG3     8.50                
 59 VAL  QG2    60 VAL  HN      5.47                
 59 VAL  QG2    60 VAL  QG2     7.56                
 59 VAL  QG2    63 MET  HG2     8.50                
 59 VAL  QG2    63 MET  HG3     8.50                
 59 VAL  QQG    60 VAL  HN      5.18                
 59 VAL  QQG    60 VAL  HA      7.13                
 59 VAL  QQG    60 VAL  QG1     8.03                
 59 VAL  QQG    60 VAL  QG2     7.16                
 59 VAL  QQG    61 ARG+ HN      8.00                
 59 VAL  QQG    62 SER  QB      8.10                
 59 VAL  QQG    63 MET  HA      7.78                
 59 VAL  QQG    63 MET  QG      6.82                
 60 VAL  HN     60 VAL  HB      2.80                
 60 VAL  HN     60 VAL  QG1     4.79                
 60 VAL  HN     60 VAL  QG2     4.23                
 60 VAL  HN     61 ARG+ HN      3.14                
 60 VAL  HA     62 SER  HN      4.48                
 60 VAL  HA     63 MET  HN      3.76                
 60 VAL  HA     63 MET  QB      3.51                
 60 VAL  HA     63 MET  HG2     5.38                
 60 VAL  HA     63 MET  HG3     5.38                
 60 VAL  HB     61 ARG+ HN      3.02                
 60 VAL  HB     63 MET  QG      6.38                
 60 VAL  QG1    61 ARG+ HN      5.50                
 60 VAL  QG1    61 ARG+ HA      5.85                
 60 VAL  QG1    64 ASP- HN      6.53                
 60 VAL  QG2    61 ARG+ HN      5.35                
 60 VAL  QG2    63 MET  QE      7.56                
 61 ARG+ HN     61 ARG+ HG2     4.57                
 61 ARG+ HN     61 ARG+ HG3     4.57                
 61 ARG+ HN     61 ARG+ QD      5.85                
 61 ARG+ HA     61 ARG+ HG2     4.01                
 61 ARG+ HA     61 ARG+ HG3     4.01                
 61 ARG+ HA     61 ARG+ QD      5.73                
 61 ARG+ HA     64 ASP- HN      4.11                
 61 ARG+ HA     64 ASP- QB      5.01                
 61 ARG+ HG2    62 SER  HN      5.50                
 61 ARG+ HG3    62 SER  HN      5.50                
 61 ARG+ QD     65 ARG+ HN      5.73                
 62 SER  HN     62 SER  HB2     3.21                
 62 SER  HN     62 SER  HB3     3.21                
 62 SER  HN     62 SER  QB      2.91                
 62 SER  HN     63 MET  HN      3.14                
 62 SER  HA     62 SER  QB      2.65                
 62 SER  HA     65 ARG+ QB      4.64                
 62 SER  HA     65 ARG+ QD      6.38                
 62 SER  HB2    63 MET  HN      3.64                
 62 SER  HB3    63 MET  HN      3.64                
 63 MET  HN     63 MET  HB2     3.55                
 63 MET  HN     63 MET  HB3     3.55                
 63 MET  HN     63 MET  QB      3.34                
 63 MET  HN     63 MET  HG2     4.23                
 63 MET  HN     63 MET  HG3     4.23                
 63 MET  HN     63 MET  QG      3.98                
 63 MET  HN     63 MET  QE      5.44                
 63 MET  HN     64 ASP- HN      2.99                
 63 MET  HA     63 MET  HG2     3.73                
 63 MET  HA     63 MET  HG3     3.73                
 63 MET  HA     63 MET  QG      3.46                
 63 MET  HA     63 MET  QE      4.48                
 63 MET  HA     66 LYS+ QB      4.39                
 63 MET  HA     66 LYS+ QG      5.60                
 63 MET  HB2    63 MET  QE      4.39                
 63 MET  HB2    64 ASP- HN      3.58                
 63 MET  HB3    63 MET  QE      4.39                
 63 MET  HB3    64 ASP- HN      3.58                
 63 MET  QB     63 MET  QE      4.18                
 63 MET  QB     64 ASP- HN      3.34                
 63 MET  QG     67 SER  QB      7.25                
 63 MET  QE     64 ASP- HN      5.91                
 63 MET  QE     66 LYS+ QG      6.63                
 63 MET  QE     66 LYS+ QE      7.25                
 64 ASP- HN     64 ASP- HB2     3.02                
 64 ASP- HN     64 ASP- HB3     3.02                
 64 ASP- HN     65 ARG+ HN      3.08                
 64 ASP- HA     64 ASP- HB2     3.05                
 64 ASP- HA     64 ASP- HB3     3.05                
 64 ASP- HA     67 SER  QB      4.73                
 64 ASP- HB2    65 ARG+ HN      3.58                
 64 ASP- HB3    65 ARG+ HN      3.58                
 64 ASP- QB     65 ARG+ HN      3.41                
 65 ARG+ HN     65 ARG+ HA      2.87                
 65 ARG+ HN     65 ARG+ HG2     4.35                
 65 ARG+ HN     65 ARG+ HG3     4.35                
 65 ARG+ HN     65 ARG+ QG      4.08                
 65 ARG+ HN     65 ARG+ QD      6.38                
 65 ARG+ HA     65 ARG+ HG2     3.70                
 65 ARG+ HA     65 ARG+ HG3     3.70                
 65 ARG+ HA     65 ARG+ QD      4.92                
 65 ARG+ HG2    66 LYS+ HN      4.72                
 65 ARG+ HG3    66 LYS+ HN      4.72                
 65 ARG+ QG     66 LYS+ HN      4.58                
 66 LYS+ HN     66 LYS+ QB      3.87                
 66 LYS+ HN     66 LYS+ HG2     4.42                
 66 LYS+ HN     66 LYS+ HG3     4.42                
 66 LYS+ HN     66 LYS+ QD      6.38                
 66 LYS+ HN     67 SER  HN      3.21                
 66 LYS+ HA     66 LYS+ HG2     3.98                
 66 LYS+ HA     66 LYS+ HG3     3.98                
 66 LYS+ HA     66 LYS+ QG      3.77                
 66 LYS+ HA     66 LYS+ QD      5.63                
 66 LYS+ HA     66 LYS+ QE      5.45                
 66 LYS+ QB     66 LYS+ QE      6.79                
 66 LYS+ QB     67 SER  HN      4.58                
 67 SER  HN     67 SER  HB2     3.11                
 67 SER  HN     67 SER  HB3     3.11                
 67 SER  HN     68 ASN  HN      2.90                
 67 SER  HA     67 SER  QB      2.73                
 67 SER  HA     68 ASN  HN      2.87                
 67 SER  HA     70 ARG+ HN      3.98                
 67 SER  HA     70 ARG+ QB      4.42                
 67 SER  HA     70 ARG+ QD      6.38                
 68 ASN  HN     68 ASN  HA      2.77                
 68 ASN  HN     68 ASN  QB      2.96                
 68 ASN  HA     68 ASN  HB2     2.87                
 68 ASN  HA     68 ASN  HB3     2.87                
 68 ASN  HB2    69 THR  HN      3.61                
 68 ASN  HB3    69 THR  HN      3.61                
 68 ASN  QB     69 THR  HN      3.36                
 69 THR  HN     69 THR  HB      2.87                
 69 THR  HN     70 ARG+ HN      3.61                
 69 THR  HA     69 THR  HB      2.96                
 69 THR  QG2    70 ARG+ HN      5.85                
 70 ARG+ HN     70 ARG+ HA      2.68                
 70 ARG+ HN     70 ARG+ HB2     3.52                
 70 ARG+ HN     70 ARG+ HB3     3.52                
 70 ARG+ HN     70 ARG+ QB      3.33                
 70 ARG+ HN     70 ARG+ QG      6.19                
 70 ARG+ HN     71 ASN  HN      3.14                
 70 ARG+ HA     70 ARG+ QD      5.32                
 70 ARG+ HA     73 MET  HN      4.35                
 70 ARG+ HA     73 MET  QE      6.34                
 70 ARG+ HB2    71 ASN  HN      3.89                
 70 ARG+ HB3    71 ASN  HN      3.89                
 70 ARG+ QB     71 ASN  HN      3.71                
 70 ARG+ QG     71 ASN  HN      6.38                
 71 ASN  HN     71 ASN  HA      2.68                
 71 ASN  QB     72 ASN  HN      4.39                
 71 ASN  QB     73 MET  HN      5.26                
 71 ASN  QB     73 MET  QB      7.25                
 72 ASN  HN     72 ASN  HA      2.71                
 72 ASN  QB     74 ILE  QG2     7.40                
 72 ASN  QB     74 ILE  QG1     7.25                
 73 MET  HN     73 MET  QB      3.61                
 73 MET  HN     73 MET  HG2     4.85                
 73 MET  HN     73 MET  HG3     4.85                
 73 MET  HN     73 MET  QG      4.69                
 73 MET  HN     73 MET  QE      6.53                
 73 MET  HA     73 MET  QB      2.75                
 73 MET  HA     73 MET  HG2     4.29                
 73 MET  HA     73 MET  HG3     4.29                
 73 MET  HA     73 MET  QE      5.94                
 73 MET  HB2    74 ILE  QG2     6.53                
 73 MET  HB3    74 ILE  QG2     6.53                
 73 MET  QB     73 MET  QE      4.31                
 73 MET  QB     74 ILE  HN      4.52                
 73 MET  QB     74 ILE  QD1     7.40                
 73 MET  QG     74 ILE  QG2     7.40                
 73 MET  QG     74 ILE  QD1     7.40                
 73 MET  QE     74 ILE  HN      6.53                
 73 MET  QE     74 ILE  HB      6.53                
 74 ILE  HN     74 ILE  HG12    4.17                
 74 ILE  HN     74 ILE  HG13    4.17                
 74 ILE  HN     74 ILE  QD1     6.53                
 74 ILE  HA     74 ILE  QD1     4.76                
 74 ILE  HA     75 GLN  QB      5.14                
 74 ILE  HA     75 GLN  QG      6.38                
 74 ILE  HB     75 GLN  HN      3.83                
 74 ILE  HB     75 GLN  QG      6.38                
 74 ILE  HB     76 THR  HN      4.85                
 74 ILE  QG2    74 ILE  QD1     4.46                
 74 ILE  QG2    75 GLN  HN      5.26                
 74 ILE  QG2    75 GLN  HA      6.53                
 74 ILE  QG2    75 GLN  QG      7.40                
 74 ILE  QG2    76 THR  HN      6.53                
 74 ILE  HG12   75 GLN  HN      5.50                
 74 ILE  HG13   75 GLN  HN      5.50                
 74 ILE  QG1    75 GLN  QG      7.25                
 74 ILE  QD1    75 GLN  HN      6.53                
 75 GLN  HN     75 GLN  QB      3.20                
 75 GLN  HN     75 GLN  QG      6.19                
 75 GLN  HA     76 THR  HN      2.56                
 75 GLN  QG     76 THR  HN      6.38                
 76 THR  QG2    77 LYS+ HN      5.44                
 77 LYS+ HN     77 LYS+ HB2     3.45                
 77 LYS+ HN     77 LYS+ HB3     3.45                
 77 LYS+ HN     77 LYS+ QB      3.14                
 77 LYS+ HN     77 LYS+ QG      6.19                
 77 LYS+ HN     78 PRO  HD2     5.50                
 77 LYS+ HN     78 PRO  HD3     5.50                
 77 LYS+ HA     77 LYS+ QD      6.25                
 77 LYS+ HA     77 LYS+ QE      6.38                
 77 LYS+ HA     78 PRO  HD2     3.21                
 77 LYS+ HA     78 PRO  HD3     3.21                
 77 LYS+ HB2    77 LYS+ QE      5.76                
 77 LYS+ HB2    78 PRO  HD2     5.50                
 77 LYS+ HB2    78 PRO  HD3     5.50                
 77 LYS+ HB3    77 LYS+ QE      5.76                
 77 LYS+ HB3    78 PRO  HD2     5.50                
 77 LYS+ HB3    78 PRO  HD3     5.50                
 77 LYS+ QB     77 LYS+ QD      3.57                
 77 LYS+ QB     77 LYS+ QE      4.90                
 77 LYS+ QB     78 PRO  QD      4.91                
 77 LYS+ QG     78 PRO  HD2     6.38                
 77 LYS+ QG     78 PRO  HD3     6.38                
 78 PRO  HA     79 THR  HN      2.46                
 78 PRO  HB2    79 THR  HN      3.83                
 78 PRO  HB3    79 THR  HN      3.83                
 78 PRO  QD     79 THR  HN      5.59                
 79 THR  HN     79 THR  HB      3.42                
 79 THR  HN     79 THR  QG2     4.85                
 79 THR  HA     80 GLY  HN      2.77                
 79 THR  HB     80 GLY  HN      3.48                
 79 THR  QG2    80 GLY  HN      6.19                
 79 THR  QG2    80 GLY  QA      7.40                
 80 GLY  HN     81 THR  HN      3.55                
 81 THR  HN     81 THR  HB      3.39                
 81 THR  HB     82 GLN  HN      3.36                
 81 THR  QG2    82 GLN  HN      5.57                
 82 GLN  HN     82 GLN  HB2     3.48                
 82 GLN  HN     82 GLN  HB3     3.48                
 82 GLN  HN     82 GLN  QB      3.17                
 82 GLN  HN     82 GLN  QG      5.04                
 82 GLN  HA     82 GLN  HB2     2.96                
 82 GLN  HA     82 GLN  HB3     2.96                
 82 GLN  QB     83 GLN  HN      4.15                
 83 GLN  HN     83 GLN  HB2     3.27                
 83 GLN  HN     83 GLN  HB3     3.27                
 83 GLN  HN     83 GLN  QG      5.04                
 83 GLN  HA     84 SER  HN      2.49                
 83 GLN  HB2    84 SER  HN      4.17                
 83 GLN  HB3    84 SER  HN      4.17                
 83 GLN  QB     84 SER  HN      3.96                
 83 GLN  QG     84 SER  HN      6.38                
 84 SER  HA     85 THR  HN      2.74                
 85 THR  HN     85 THR  HB      3.55                
 85 THR  HA     86 ASN  HN      2.87                
 85 THR  HB     86 ASN  HN      3.64                
 85 THR  QG2    86 ASN  HN      6.16                
 86 ASN  HN     86 ASN  HB2     3.55                
 86 ASN  HN     86 ASN  HB3     3.55                
 86 ASN  HN     86 ASN  QB      3.31                
 86 ASN  HA     86 ASN  HB2     3.02                
 86 ASN  HA     86 ASN  HB3     3.02                
 86 ASN  HA     87 THR  HN      2.83                
 86 ASN  HB2    87 THR  HN      4.23                
 86 ASN  HB2    87 THR  QG2     6.53                
 86 ASN  HB3    87 THR  HN      4.23                
 86 ASN  HB3    87 THR  QG2     6.53                
 86 ASN  QB     87 THR  HN      4.07                
 87 THR  HN     87 THR  QG2     4.67                
 87 THR  HA     88 ALA  HN      3.02                
 87 THR  HB     88 ALA  HN      2.74                
 87 THR  QG2    88 ALA  HN      4.67                
 88 ALA  HN     89 VAL  HB      3.58                
 88 ALA  HA     89 VAL  HN      2.74                
 88 ALA  HA     89 VAL  HB      4.88                
 88 ALA  HA     89 VAL  QQG     7.62                
 88 ALA  QB     89 VAL  HA      6.53                
 88 ALA  QB     90 THR  HN      6.53                
 89 VAL  HN     89 VAL  HB      3.33                
 89 VAL  QQG    90 THR  HN      7.62                
 90 THR  HN     90 THR  HB      2.77                
 90 THR  HA     91 LEU  HN      2.90                
 90 THR  HB     91 LEU  HN      4.01                
 90 THR  QG2    91 LEU  HN      6.31                
 90 THR  QG2    91 LEU  HA      6.53                
 91 LEU  HN     91 LEU  HB2     3.39                
 91 LEU  HN     91 LEU  HB3     3.39                
 91 LEU  HN     91 LEU  QB      3.21                
 91 LEU  HN     91 LEU  HG      3.83                
 91 LEU  HA     91 LEU  HG      3.55                
 91 LEU  HA     91 LEU  QD1     5.19                
 91 LEU  HA     91 LEU  QD2     5.19                
 91 LEU  HA     92 THR  HN      2.87                
 91 LEU  HB2    92 THR  HN      4.57                
 91 LEU  HB3    92 THR  HN      4.57                
 91 LEU  QB     92 THR  HN      4.22                
 91 LEU  HG     92 THR  HA      5.19                
 91 LEU  HG     93 GLY  HN      5.50                
 91 LEU  QQD    92 THR  HA      7.45                
 91 LEU  QQD    93 GLY  QA      8.97                
 92 THR  HN     92 THR  HB      3.73                
 92 THR  HA     92 THR  HB      2.40                
 92 THR  HA     93 GLY  HN      3.21                
 92 THR  HB     93 GLY  HN      4.35                
 92 THR  QG2    93 GLY  QA      7.40                

  Entry H atom name         Submitted Coord H atom name
    1    H    VAL   1           H        VAL   1 -11.897   9.585  15.995
    2    HA   VAL   1           HA       VAL   1 -12.410   9.374  13.115
    3    HB   VAL   1           HB       VAL   1 -10.535  11.250  14.558
    4   1HG1  VAL   1          1HG1      VAL   1  -9.267  10.345  12.738
    5   2HG1  VAL   1          2HG1      VAL   1 -10.643  10.504  11.620
    6   3HG1  VAL   1          3HG1      VAL   1  -9.830  11.960  12.245
    7   1HG2  VAL   1          1HG2      VAL   1 -12.410  12.514  14.415
    8   2HG2  VAL   1          2HG2      VAL   1 -11.867  12.753  12.736
    9   3HG2  VAL   1          3HG2      VAL   1 -13.106  11.529  13.105
   10    H    GLY   2           H        GLY   2 -12.014   7.102  13.244
   11   1HA   GLY   2          2HA       GLY   2  -9.591   6.150  12.633
   12   2HA   GLY   2          1HA       GLY   2  -9.500   6.198  14.382
   13    H    SER   3           H        SER   3  -9.274   3.726  13.302
   14    HA   SER   3           HA       SER   3 -11.926   2.598  13.756
   15   1HB   SER   3          2HB       SER   3 -10.138   2.284  11.493
   16   2HB   SER   3          1HB       SER   3 -10.338   0.732  12.282
   17    HG   SER   3           HG       SER   3 -12.098   2.072  10.679
   18    H    GLU   4           H        GLU   4 -11.480  -0.011  14.195
   19    HA   GLU   4           HA       GLU   4  -9.930   0.047  16.589
   20   1HB   GLU   4          2HB       GLU   4 -10.835  -2.242  16.929
   21   2HB   GLU   4          1HB       GLU   4 -12.104  -1.089  16.568
   22   1HG   GLU   4          2HG       GLU   4 -11.078  -2.194  14.079
   23   2HG   GLU   4          1HG       GLU   4 -11.488  -3.506  15.167
   24    H    VAL   5           H        VAL   5  -7.924  -0.896  16.950
   25    HA   VAL   5           HA       VAL   5  -6.816  -2.462  14.729
   26    HB   VAL   5           HB       VAL   5  -6.066  -0.047  14.788
   27   1HG1  VAL   5          1HG1      VAL   5  -4.926  -0.995  17.418
   28   2HG1  VAL   5          2HG1      VAL   5  -4.155   0.316  16.493
   29   3HG1  VAL   5          3HG1      VAL   5  -5.834   0.493  17.056
   30   1HG2  VAL   5          1HG2      VAL   5  -4.746  -2.330  14.078
   31   2HG2  VAL   5          2HG2      VAL   5  -4.140  -0.680  13.794
   32   3HG2  VAL   5          3HG2      VAL   5  -3.587  -1.600  15.214
   33    H    SER   6           H        SER   6  -4.585  -3.479  15.643
   34    HA   SER   6           HA       SER   6  -3.522  -4.571  17.260
   35   1HB   SER   6          2HB       SER   6  -5.003  -3.037  18.908
   36   2HB   SER   6          1HB       SER   6  -5.817  -4.559  19.206
   37    HG   SER   6           HG       SER   6  -4.012  -4.153  20.675
   38    H    ASP   7           H        ASP   7  -6.872  -5.066  16.298
   39    HA   ASP   7           HA       ASP   7  -6.722  -7.871  16.958
   40   1HB   ASP   7          2HB       ASP   7  -8.886  -5.987  15.990
   41   2HB   ASP   7          1HB       ASP   7  -9.105  -7.711  15.770
   42    H    LYS   8           H        LYS   8  -7.363  -5.661  14.130
   43    HA   LYS   8           HA       LYS   8  -7.482  -7.578  12.160
   44   1HB   LYS   8          2HB       LYS   8  -7.175  -5.793  10.620
   45   2HB   LYS   8          1HB       LYS   8  -8.076  -5.150  11.978
   46   1HG   LYS   8          2HG       LYS   8  -5.534  -4.633  12.844
   47   2HG   LYS   8          1HG       LYS   8  -5.266  -4.567  11.113
   48   1HD   LYS   8          2HD       LYS   8  -7.498  -3.024  12.510
   49   2HD   LYS   8          1HD       LYS   8  -5.910  -2.346  12.212
   50   1HE   LYS   8          2HE       LYS   8  -6.180  -2.527   9.806
   51   2HE   LYS   8          1HE       LYS   8  -7.609  -3.527   9.972
   52   1HZ   LYS   8          1HZ       LYS   8  -7.450  -0.763  10.952
   53   2HZ   LYS   8          2HZ       LYS   8  -8.066  -1.178   9.497
   54   3HZ   LYS   8          3HZ       LYS   8  -8.787  -1.697  10.868
   55    H    ARG   9           H        ARG   9  -5.642  -7.453  10.255
   56    HA   ARG   9           HA       ARG   9  -3.139  -8.014  11.630
   57   1HB   ARG   9          2HB       ARG   9  -4.564 -10.047  10.713
   58   2HB   ARG   9          1HB       ARG   9  -4.002  -9.528   9.137
   59   1HG   ARG   9          2HG       ARG   9  -1.994 -10.519   9.482
   60   2HG   ARG   9          1HG       ARG   9  -1.731  -9.555  10.921
   61   1HD   ARG   9          2HD       ARG   9  -3.039 -11.193  12.276
   62   2HD   ARG   9          1HD       ARG   9  -3.352 -12.147  10.840
   63    HE   ARG   9           HE       ARG   9  -0.675 -12.139  10.741
   64   1HH1  ARG   9          2HH2      ARG   9  -2.750 -12.484  13.563
   65   2HH1  ARG   9          1HH2      ARG   9  -1.607 -13.442  14.445
   66   1HH2  ARG   9          2HH1      ARG   9   0.832 -13.403  11.904
   67   2HH2  ARG   9          1HH1      ARG   9   0.444 -13.968  13.495
   68    H    THR  10           H        THR  10  -4.551  -7.685   8.280
   69    HA   THR  10           HA       THR  10  -2.341  -5.830   7.674
   70    HB   THR  10           HB       THR  10  -3.499  -8.202   6.189
   71    HG1  THR  10           1HG      THR  10  -1.315  -7.646   7.496
   72   1HG2  THR  10          1HG2      THR  10  -2.031  -7.166   4.227
   73   2HG2  THR  10          2HG2      THR  10  -3.739  -6.689   4.382
   74   3HG2  THR  10          3HG2      THR  10  -2.456  -5.615   4.990
   75    H    CYS  11           H        CYS  11  -5.778  -6.734   7.121
   76    HA   CYS  11           HA       CYS  11  -6.271  -3.904   6.665
   77   1HB   CYS  11          2HB       CYS  11  -7.628  -4.259   4.741
   78   2HB   CYS  11          1HB       CYS  11  -6.044  -4.946   4.440
   79    H    VAL  12           H        VAL  12  -9.098  -4.324   6.085
   80    HA   VAL  12           HA       VAL  12  -9.934  -5.158   8.744
   81    HB   VAL  12           HB       VAL  12 -11.289  -3.643   6.508
   82   1HG1  VAL  12          1HG1      VAL  12 -13.236  -3.440   7.786
   83   2HG1  VAL  12          2HG1      VAL  12 -12.783  -5.148   8.000
   84   3HG1  VAL  12          3HG1      VAL  12 -12.429  -3.965   9.283
   85   1HG2  VAL  12          1HG2      VAL  12 -11.262  -1.947   8.598
   86   2HG2  VAL  12          2HG2      VAL  12  -9.798  -2.887   8.972
   87   3HG2  VAL  12          3HG2      VAL  12  -9.941  -2.046   7.410
   88    H    SER  13           H        SER  13 -11.602  -5.408   5.542
   89    HA   SER  13           HA       SER  13 -12.012  -8.221   6.199
   90   1HB   SER  13          2HB       SER  13 -13.927  -6.163   5.717
   91   2HB   SER  13          1HB       SER  13 -13.965  -7.196   4.302
   92    HG   SER  13           HG       SER  13 -13.869  -8.606   6.730
   93    H    LEU  14           H        LEU  14 -13.214  -8.870   3.619
   94    HA   LEU  14           HA       LEU  14 -10.822  -8.598   1.941
   95   1HB   LEU  14          2HB       LEU  14 -12.676 -10.824   2.540
   96   2HB   LEU  14          1HB       LEU  14 -12.173 -10.676   0.868
   97    HG   LEU  14           HG       LEU  14 -10.343 -10.972   3.265
   98   1HD1  LEU  14          1HD1      LEU  14  -9.773 -13.136   1.925
   99   2HD1  LEU  14          2HD1      LEU  14 -11.221 -13.085   2.959
  100   3HD1  LEU  14          3HD1      LEU  14 -11.379 -12.886   1.197
  101   1HD2  LEU  14          1HD2      LEU  14  -8.648 -10.243   2.037
  102   2HD2  LEU  14          2HD2      LEU  14  -9.026 -11.423   0.760
  103   3HD2  LEU  14          3HD2      LEU  14  -9.790  -9.816   0.740
  104    H    THR  15           H        THR  15 -11.117  -6.910   0.565
  105    HA   THR  15           HA       THR  15 -11.986  -5.725  -1.107
  106    HB   THR  15           HB       THR  15 -14.212  -7.769  -1.442
  107    HG1  THR  15           1HG      THR  15 -12.390  -9.098  -1.218
  108   1HG2  THR  15          1HG2      THR  15 -14.346  -6.499  -3.366
  109   2HG2  THR  15          2HG2      THR  15 -12.730  -5.796  -3.117
  110   3HG2  THR  15          3HG2      THR  15 -12.895  -7.407  -3.854
  111    H    THR  16           H        THR  16 -15.095  -5.951  -1.597
  112    HA   THR  16           HA       THR  16 -16.970  -5.036  -0.760
  113    HB   THR  16           HB       THR  16 -15.707  -5.801   1.554
  114    HG1  THR  16           1HG      THR  16 -17.956  -5.787   1.504
  115   1HG2  THR  16          1HG2      THR  16 -14.869  -3.194   1.474
  116   2HG2  THR  16          2HG2      THR  16 -16.470  -2.977   2.219
  117   3HG2  THR  16          3HG2      THR  16 -15.264  -4.032   2.993
  118    H    GLN  17           H        GLN  17 -14.027  -3.601  -1.451
  119    HA   GLN  17           HA       GLN  17 -15.406  -1.098  -1.862
  120   1HB   GLN  17          2HB       GLN  17 -13.447   0.198  -0.983
  121   2HB   GLN  17          1HB       GLN  17 -14.287  -0.707   0.262
  122   1HG   GLN  17          2HG       GLN  17 -12.504  -2.605  -0.360
  123   2HG   GLN  17          1HG       GLN  17 -11.586  -1.248  -0.982
  124   1HE2  GLN  17          1HE2      GLN  17 -12.105  -3.134   1.637
  125   2HE2  GLN  17          2HE2      GLN  17 -11.583  -2.096   2.922
  126    H    ARG  18           H        ARG  18 -15.404  -1.558  -4.112
  127    HA   ARG  18           HA       ARG  18 -13.159  -2.499  -5.433
  128   1HB   ARG  18          2HB       ARG  18 -15.816  -2.016  -6.084
  129   2HB   ARG  18          1HB       ARG  18 -15.006  -0.767  -7.009
  130   1HG   ARG  18          2HG       ARG  18 -13.404  -3.031  -7.453
  131   2HG   ARG  18          1HG       ARG  18 -15.028  -3.689  -7.428
  132   1HD   ARG  18          2HD       ARG  18 -15.100  -1.234  -8.950
  133   2HD   ARG  18          1HD       ARG  18 -13.747  -2.184  -9.532
  134    HE   ARG  18           HE       ARG  18 -15.715  -4.080  -9.401
  135   1HH1  ARG  18          2HH2      ARG  18 -15.670  -0.843 -10.782
  136   2HH1  ARG  18          1HH2      ARG  18 -16.835  -1.212 -12.010
  137   1HH2  ARG  18          2HH1      ARG  18 -17.252  -4.567 -11.021
  138   2HH2  ARG  18          1HH1      ARG  18 -17.741  -3.345 -12.147
  139    H    LEU  19           H        LEU  19 -11.313  -1.209  -4.821
  140    HA   LEU  19           HA       LEU  19 -11.408   1.631  -5.235
  141   1HB   LEU  19          2HB       LEU  19  -9.670  -0.323  -3.948
  142   2HB   LEU  19          1HB       LEU  19  -8.767   0.881  -4.846
  143    HG   LEU  19           HG       LEU  19 -10.381   2.559  -3.557
  144   1HD1  LEU  19          1HD1      LEU  19 -11.755   0.929  -2.453
  145   2HD1  LEU  19          2HD1      LEU  19 -10.326   0.115  -1.769
  146   3HD1  LEU  19          3HD1      LEU  19 -10.760   1.756  -1.230
  147   1HD2  LEU  19          1HD2      LEU  19  -7.737   1.425  -3.023
  148   2HD2  LEU  19          2HD2      LEU  19  -8.285   3.119  -3.034
  149   3HD2  LEU  19          3HD2      LEU  19  -8.513   2.119  -1.579
  150    HA   PRO  20           HA       PRO  20 -10.077   1.530  -9.344
  151   1HB   PRO  20          2HB       PRO  20  -9.222   4.109  -9.639
  152   2HB   PRO  20          1HB       PRO  20 -10.908   3.642  -9.732
  153   1HG   PRO  20          2HG       PRO  20  -9.485   5.016  -7.536
  154   2HG   PRO  20          1HG       PRO  20 -11.209   4.922  -7.837
  155   1HD   PRO  20          2HD       PRO  20  -9.725   3.444  -5.877
  156   2HD   PRO  20          1HD       PRO  20 -11.427   3.266  -6.257
  157    H    VAL  21           H        VAL  21  -8.414   0.590 -10.343
  158    HA   VAL  21           HA       VAL  21  -6.044   0.194  -9.019
  159    HB   VAL  21           HB       VAL  21  -7.189  -0.737 -11.257
  160   1HG1  VAL  21          1HG1      VAL  21  -5.835  -0.181 -13.218
  161   2HG1  VAL  21          2HG1      VAL  21  -6.638   1.272 -12.576
  162   3HG1  VAL  21          3HG1      VAL  21  -4.907   0.999 -12.262
  163   1HG2  VAL  21          1HG2      VAL  21  -5.351  -2.178 -11.466
  164   2HG2  VAL  21          2HG2      VAL  21  -4.190  -0.925 -10.965
  165   3HG2  VAL  21          3HG2      VAL  21  -5.289  -1.650  -9.767
  166    H    SER  22           H        SER  22  -7.105   2.911 -11.083
  167    HA   SER  22           HA       SER  22  -4.655   4.025 -11.575
  168   1HB   SER  22          2HB       SER  22  -6.258   5.156 -12.756
  169   2HB   SER  22          1HB       SER  22  -7.478   4.936 -11.517
  170    HG   SER  22           HG       SER  22  -5.898   7.123 -12.012
  171    H    ARG  23           H        ARG  23  -6.591   3.894  -8.617
  172    HA   ARG  23           HA       ARG  23  -4.990   5.953  -7.405
  173   1HB   ARG  23          2HB       ARG  23  -7.607   4.745  -6.927
  174   2HB   ARG  23          1HB       ARG  23  -6.661   4.693  -5.453
  175   1HG   ARG  23          2HG       ARG  23  -7.680   6.813  -5.314
  176   2HG   ARG  23          1HG       ARG  23  -6.101   7.204  -5.965
  177   1HD   ARG  23          2HD       ARG  23  -6.935   7.692  -8.094
  178   2HD   ARG  23          1HD       ARG  23  -8.270   6.564  -7.953
  179    HE   ARG  23           HE       ARG  23  -8.816   8.502  -6.023
  180   1HH1  ARG  23          2HH2      ARG  23  -8.236   8.539  -9.493
  181   2HH1  ARG  23          1HH2      ARG  23  -9.220   9.937  -9.772
  182   1HH2  ARG  23          2HH1      ARG  23 -10.114  10.346  -6.390
  183   2HH2  ARG  23          1HH1      ARG  23 -10.296  10.971  -7.994
  184    H    ILE  24           H        ILE  24  -5.254   2.451  -7.652
  185    HA   ILE  24           HA       ILE  24  -3.797   1.912  -5.246
  186    HB   ILE  24           HB       ILE  24  -4.404   0.087  -7.572
  187   1HG1  ILE  24          2HG1      ILE  24  -6.082   0.320  -5.078
  188   2HG1  ILE  24          1HG1      ILE  24  -6.390   1.343  -6.468
  189   1HG2  ILE  24          1HG2      ILE  24  -3.973  -1.710  -6.134
  190   2HG2  ILE  24          2HG2      ILE  24  -2.651  -0.560  -5.819
  191   3HG2  ILE  24          3HG2      ILE  24  -4.015  -0.681  -4.682
  192   1HD1  ILE  24          1HD1      ILE  24  -7.550  -0.353  -7.413
  193   2HD1  ILE  24          2HD1      ILE  24  -6.043  -1.296  -7.500
  194   3HD1  ILE  24          3HD1      ILE  24  -7.101  -1.439  -6.076
  195    H    LYS  25           H        LYS  25  -1.619   1.184  -5.076
  196    HA   LYS  25           HA       LYS  25   0.017   2.099  -7.325
  197   1HB   LYS  25          2HB       LYS  25   0.186   3.068  -4.917
  198   2HB   LYS  25          1HB       LYS  25   1.023   1.577  -4.533
  199   1HG   LYS  25          2HG       LYS  25   1.829   3.364  -6.871
  200   2HG   LYS  25          1HG       LYS  25   2.507   3.544  -5.266
  201   1HD   LYS  25          2HD       LYS  25   2.648   0.748  -5.948
  202   2HD   LYS  25          1HD       LYS  25   3.243   1.652  -7.326
  203   1HE   LYS  25          2HE       LYS  25   4.511   3.015  -5.324
  204   2HE   LYS  25          1HE       LYS  25   4.375   1.446  -4.556
  205   1HZ   LYS  25          1HZ       LYS  25   6.213   1.054  -5.728
  206   2HZ   LYS  25          2HZ       LYS  25   5.199   0.762  -6.974
  207   3HZ   LYS  25          3HZ       LYS  25   5.929   2.216  -6.839
  208    H    THR  26           H        THR  26   0.577  -0.301  -4.670
  209    HA   THR  26           HA       THR  26   1.127  -2.286  -6.775
  210    HB   THR  26           HB       THR  26   3.156  -1.157  -5.544
  211    HG1  THR  26           1HG      THR  26   3.622  -3.079  -6.611
  212   1HG2  THR  26          1HG2      THR  26   1.707  -2.173  -3.277
  213   2HG2  THR  26          2HG2      THR  26   3.133  -3.215  -3.498
  214   3HG2  THR  26          3HG2      THR  26   3.337  -1.460  -3.288
  215    H    TYR  27           H        TYR  27   1.194  -4.590  -5.755
  216    HA   TYR  27           HA       TYR  27  -0.768  -4.817  -3.610
  217   1HB   TYR  27          2HB       TYR  27  -2.111  -6.339  -5.053
  218   2HB   TYR  27          1HB       TYR  27  -1.919  -4.814  -5.895
  219    HD1  TYR  27           1HD      TYR  27  -1.531  -8.345  -6.115
  220    HD2  TYR  27           2HD      TYR  27   0.054  -4.660  -7.604
  221    HE1  TYR  27           1HE      TYR  27  -0.552  -9.567  -8.119
  222    HE2  TYR  27           2HE      TYR  27   1.027  -5.895  -9.602
  223    HH   TYR  27           HH       TYR  27   1.401  -9.164  -9.693
  224    H    THR  28           H        THR  28  -0.886  -7.063  -2.736
  225    HA   THR  28           HA       THR  28   1.390  -8.737  -3.483
  226    HB   THR  28           HB       THR  28   1.099  -7.106  -1.023
  227    HG1  THR  28           1HG      THR  28   3.068  -8.797  -2.391
  228   1HG2  THR  28          1HG2      THR  28   1.775 -10.091  -0.870
  229   2HG2  THR  28          2HG2      THR  28   2.185  -8.905   0.392
  230   3HG2  THR  28          3HG2      THR  28   0.480  -9.257   0.023
  231    H    ILE  29           H        ILE  29   0.712 -10.746  -3.845
  232    HA   ILE  29           HA       ILE  29  -1.811 -11.523  -2.575
  233    HB   ILE  29           HB       ILE  29  -0.416 -12.566  -5.042
  234   1HG1  ILE  29          2HG1      ILE  29  -2.921 -10.891  -4.706
  235   2HG1  ILE  29          1HG1      ILE  29  -1.388 -10.346  -5.356
  236   1HG2  ILE  29          1HG2      ILE  29  -1.937 -14.102  -3.449
  237   2HG2  ILE  29          2HG2      ILE  29  -3.216 -13.335  -4.421
  238   3HG2  ILE  29          3HG2      ILE  29  -1.916 -14.250  -5.223
  239   1HD1  ILE  29          1HD1      ILE  29  -1.567 -11.972  -7.220
  240   2HD1  ILE  29          2HD1      ILE  29  -3.101 -12.575  -6.549
  241   3HD1  ILE  29          3HD1      ILE  29  -2.994 -10.910  -7.168
  242    H    THR  30           H        THR  30  -1.940 -13.314  -1.243
  243    HA   THR  30           HA       THR  30   0.656 -14.520  -0.570
  244    HB   THR  30           HB       THR  30  -0.651 -15.068   1.595
  245    HG1  THR  30           1HG      THR  30  -2.500 -13.229   1.500
  246   1HG2  THR  30          1HG2      THR  30  -0.509 -12.107   0.818
  247   2HG2  THR  30          2HG2      THR  30  -0.586 -12.752   2.475
  248   3HG2  THR  30          3HG2      THR  30   0.855 -13.046   1.472
  249    H    GLU  31           H        GLU  31   0.608 -16.838   0.112
  250    HA   GLU  31           HA       GLU  31  -1.345 -18.242  -1.541
  251   1HB   GLU  31          2HB       GLU  31   1.544 -18.286  -1.622
  252   2HB   GLU  31          1HB       GLU  31   0.982 -19.874  -1.140
  253   1HG   GLU  31          2HG       GLU  31   0.752 -20.189  -3.405
  254   2HG   GLU  31          1HG       GLU  31  -0.788 -19.390  -3.156
  255    H    GLY  32           H        GLY  32   0.114 -17.774   1.585
  256   1HA   GLY  32          2HA       GLY  32  -0.394 -20.341   2.697
  257   2HA   GLY  32          1HA       GLY  32  -0.070 -18.849   3.558
  258    H    SER  33           H        SER  33  -1.804 -20.029   4.986
  259    HA   SER  33           HA       SER  33  -4.332 -20.455   4.371
  260   1HB   SER  33          2HB       SER  33  -2.995 -19.297   6.793
  261   2HB   SER  33          1HB       SER  33  -4.745 -19.207   6.747
  262    HG   SER  33           HG       SER  33  -3.093 -21.575   6.586
  263    H    LEU  34           H        LEU  34  -2.703 -17.305   4.443
  264    HA   LEU  34           HA       LEU  34  -4.980 -15.682   4.577
  265   1HB   LEU  34          2HB       LEU  34  -2.146 -15.408   4.211
  266   2HB   LEU  34          1HB       LEU  34  -2.979 -14.400   3.045
  267    HG   LEU  34           HG       LEU  34  -3.395 -14.335   6.047
  268   1HD1  LEU  34          1HD1      LEU  34  -1.664 -12.959   6.173
  269   2HD1  LEU  34          2HD1      LEU  34  -1.353 -13.189   4.436
  270   3HD1  LEU  34          3HD1      LEU  34  -2.419 -11.872   4.982
  271   1HD2  LEU  34          1HD2      LEU  34  -5.131 -13.502   3.993
  272   2HD2  LEU  34          2HD2      LEU  34  -5.237 -13.140   5.732
  273   3HD2  LEU  34          3HD2      LEU  34  -4.383 -12.023   4.641
  274    H    ARG  35           H        ARG  35  -3.007 -16.748   1.713
  275    HA   ARG  35           HA       ARG  35  -3.475 -16.599  -0.424
  276   1HB   ARG  35          2HB       ARG  35  -4.661 -18.733   0.578
  277   2HB   ARG  35          1HB       ARG  35  -6.154 -17.877   0.248
  278   1HG   ARG  35          2HG       ARG  35  -5.924 -18.058  -2.051
  279   2HG   ARG  35          1HG       ARG  35  -4.177 -17.926  -1.999
  280   1HD   ARG  35          2HD       ARG  35  -3.932 -20.188  -2.022
  281   2HD   ARG  35          1HD       ARG  35  -5.010 -20.378  -0.654
  282    HE   ARG  35           HE       ARG  35  -5.705 -20.698  -3.470
  283   1HH1  ARG  35          2HH2      ARG  35  -6.991 -19.900  -0.293
  284   2HH1  ARG  35          1HH2      ARG  35  -8.611 -20.370  -0.690
  285   1HH2  ARG  35          2HH1      ARG  35  -7.841 -21.318  -3.994
  286   2HH2  ARG  35          1HH1      ARG  35  -9.097 -21.181  -2.809
  287    H    ALA  36           H        ALA  36  -3.926 -14.090   0.331
  288    HA   ALA  36           HA       ALA  36  -6.448 -13.402  -0.991
  289   1HB   ALA  36          1HB       ALA  36  -5.475 -12.614   1.746
  290   2HB   ALA  36          2HB       ALA  36  -6.403 -11.437   0.788
  291   3HB   ALA  36          3HB       ALA  36  -7.120 -13.014   1.197
  292    H    VAL  37           H        VAL  37  -6.403 -11.225  -1.969
  293    HA   VAL  37           HA       VAL  37  -3.675 -10.576  -2.781
  294    HB   VAL  37           HB       VAL  37  -4.586  -9.695  -4.720
  295   1HG1  VAL  37          1HG1      VAL  37  -4.811 -12.061  -4.834
  296   2HG1  VAL  37          2HG1      VAL  37  -6.288 -12.042  -3.841
  297   3HG1  VAL  37          3HG1      VAL  37  -6.319 -11.382  -5.494
  298   1HG2  VAL  37          1HG2      VAL  37  -6.204  -8.156  -4.159
  299   2HG2  VAL  37          2HG2      VAL  37  -7.218  -9.449  -4.844
  300   3HG2  VAL  37          3HG2      VAL  37  -7.060  -9.282  -3.078
  301    H    ILE  38           H        ILE  38  -2.642  -8.847  -1.931
  302    HA   ILE  38           HA       ILE  38  -4.263  -6.981  -0.378
  303    HB   ILE  38           HB       ILE  38  -1.282  -7.465  -0.442
  304   1HG1  ILE  38          2HG1      ILE  38  -2.604  -9.351   0.474
  305   2HG1  ILE  38          1HG1      ILE  38  -1.556  -8.597   1.659
  306   1HG2  ILE  38          1HG2      ILE  38  -2.999  -5.511   1.064
  307   2HG2  ILE  38          2HG2      ILE  38  -1.488  -6.128   1.775
  308   3HG2  ILE  38          3HG2      ILE  38  -1.451  -5.253   0.225
  309   1HD1  ILE  38          1HD1      ILE  38  -4.169  -7.278   1.615
  310   2HD1  ILE  38          2HD1      ILE  38  -4.333  -9.028   1.899
  311   3HD1  ILE  38          3HD1      ILE  38  -3.315  -8.042   2.977
  312    H    PHE  39           H        PHE  39  -4.562  -4.872  -0.969
  313    HA   PHE  39           HA       PHE  39  -3.134  -4.037  -3.396
  314   1HB   PHE  39          2HB       PHE  39  -5.949  -3.587  -2.268
  315   2HB   PHE  39          1HB       PHE  39  -5.307  -2.514  -3.497
  316    HD1  PHE  39           1HD      PHE  39  -4.011  -4.156  -5.418
  317    HD2  PHE  39           2HD      PHE  39  -7.506  -5.017  -3.169
  318    HE1  PHE  39           1HE      PHE  39  -4.769  -5.748  -7.204
  319    HE2  PHE  39           2HE      PHE  39  -8.264  -6.609  -4.955
  320    HZ   PHE  39           HZ       PHE  39  -6.886  -6.955  -6.952
  321    H    ILE  40           H        ILE  40  -1.689  -2.421  -3.059
  322    HA   ILE  40           HA       ILE  40  -2.118  -0.732  -0.704
  323    HB   ILE  40           HB       ILE  40   0.422  -1.016  -2.292
  324   1HG1  ILE  40          2HG1      ILE  40  -0.574  -2.746  -0.016
  325   2HG1  ILE  40          1HG1      ILE  40  -0.142  -3.258  -1.635
  326   1HG2  ILE  40          1HG2      ILE  40   1.416  -0.338  -0.086
  327   2HG2  ILE  40          2HG2      ILE  40   0.426   0.907  -0.886
  328   3HG2  ILE  40          3HG2      ILE  40  -0.239  -0.014   0.485
  329   1HD1  ILE  40          1HD1      ILE  40   2.198  -2.080  -0.985
  330   2HD1  ILE  40          2HD1      ILE  40   1.638  -2.484   0.656
  331   3HD1  ILE  40          3HD1      ILE  40   1.843  -3.771  -0.557
  332    H    THR  41           H        THR  41  -2.556   1.419  -0.918
  333    HA   THR  41           HA       THR  41  -2.717   2.414  -3.672
  334    HB   THR  41           HB       THR  41  -4.152   4.196  -2.384
  335    HG1  THR  41           1HG      THR  41  -3.951   3.777  -0.216
  336   1HG2  THR  41          1HG2      THR  41  -4.972   1.245  -2.422
  337   2HG2  THR  41          2HG2      THR  41  -6.093   2.590  -2.100
  338   3HG2  THR  41          3HG2      THR  41  -5.305   2.449  -3.690
  339    H    LYS  42           H        LYS  42  -2.240   4.808  -3.955
  340    HA   LYS  42           HA       LYS  42   0.443   5.219  -3.279
  341   1HB   LYS  42          2HB       LYS  42  -1.696   6.672  -4.722
  342   2HB   LYS  42          1HB       LYS  42  -0.436   7.684  -4.046
  343   1HG   LYS  42          2HG       LYS  42   1.083   6.990  -5.592
  344   2HG   LYS  42          1HG       LYS  42   0.723   5.301  -5.294
  345   1HD   LYS  42          2HD       LYS  42  -1.324   6.893  -6.824
  346   2HD   LYS  42          1HD       LYS  42   0.169   6.503  -7.654
  347   1HE   LYS  42          2HE       LYS  42  -0.180   4.067  -7.024
  348   2HE   LYS  42          1HE       LYS  42  -1.732   4.505  -6.338
  349   1HZ   LYS  42          1HZ       LYS  42  -2.576   4.983  -8.388
  350   2HZ   LYS  42          2HZ       LYS  42  -1.125   5.283  -9.077
  351   3HZ   LYS  42          3HZ       LYS  42  -1.579   3.745  -8.766
  352    H    ARG  43           H        ARG  43  -2.544   5.800  -1.562
  353    HA   ARG  43           HA       ARG  43  -1.487   7.876   0.039
  354   1HB   ARG  43          2HB       ARG  43  -4.035   6.822  -0.475
  355   2HB   ARG  43          1HB       ARG  43  -3.744   6.329   1.181
  356   1HG   ARG  43          2HG       ARG  43  -2.867   9.076   0.867
  357   2HG   ARG  43          1HG       ARG  43  -4.488   8.930   0.217
  358   1HD   ARG  43          2HD       ARG  43  -5.300   7.939   2.326
  359   2HD   ARG  43          1HD       ARG  43  -3.674   7.895   2.976
  360    HE   ARG  43           HE       ARG  43  -4.186  10.584   2.224
  361   1HH1  ARG  43          2HH2      ARG  43  -5.392   8.226   4.541
  362   2HH1  ARG  43          1HH2      ARG  43  -5.873   9.421   5.700
  363   1HH2  ARG  43          2HH1      ARG  43  -4.820  12.160   3.752
  364   2HH2  ARG  43          1HH1      ARG  43  -5.545  11.674   5.248
  365    H    GLY  44           H        GLY  44  -0.710   4.646  -0.187
  366   1HA   GLY  44          2HA       GLY  44   0.665   3.427   1.161
  367   2HA   GLY  44          1HA       GLY  44   0.474   4.602   2.446
  368    H    LEU  45           H        LEU  45  -2.606   3.832   1.202
  369    HA   LEU  45           HA       LEU  45  -3.169   2.251   3.551
  370   1HB   LEU  45          2HB       LEU  45  -4.597   4.016   1.776
  371   2HB   LEU  45          1HB       LEU  45  -5.452   2.494   1.924
  372    HG   LEU  45           HG       LEU  45  -4.503   3.721   4.462
  373   1HD1  LEU  45          1HD1      LEU  45  -5.258   5.707   3.286
  374   2HD1  LEU  45          2HD1      LEU  45  -6.790   4.906   2.865
  375   3HD1  LEU  45          3HD1      LEU  45  -6.414   5.269   4.566
  376   1HD2  LEU  45          1HD2      LEU  45  -5.992   2.329   5.350
  377   2HD2  LEU  45          2HD2      LEU  45  -7.292   2.932   4.293
  378   3HD2  LEU  45          3HD2      LEU  45  -6.207   1.641   3.722
  379    H    LYS  46           H        LYS  46  -3.077   0.076   3.596
  380    HA   LYS  46           HA       LYS  46  -3.226  -1.293   1.003
  381   1HB   LYS  46          2HB       LYS  46  -1.627  -2.773   1.695
  382   2HB   LYS  46          1HB       LYS  46  -1.101  -1.341   2.556
  383   1HG   LYS  46          2HG       LYS  46  -2.622  -2.191   4.509
  384   2HG   LYS  46          1HG       LYS  46  -2.643  -3.721   3.654
  385   1HD   LYS  46          2HD       LYS  46  -0.112  -2.253   4.538
  386   2HD   LYS  46          1HD       LYS  46  -0.831  -3.606   5.388
  387   1HE   LYS  46          2HE       LYS  46  -0.646  -4.721   2.911
  388   2HE   LYS  46          1HE       LYS  46   0.675  -3.576   2.789
  389   1HZ   LYS  46          1HZ       LYS  46   1.089  -4.617   5.195
  390   2HZ   LYS  46          2HZ       LYS  46   0.449  -5.910   4.430
  391   3HZ   LYS  46          3HZ       LYS  46   1.783  -5.183   3.829
  392    H    VAL  47           H        VAL  47  -4.752  -2.888   0.680
  393    HA   VAL  47           HA       VAL  47  -6.390  -3.590   3.007
  394    HB   VAL  47           HB       VAL  47  -7.233  -1.782   1.210
  395   1HG1  VAL  47          1HG1      VAL  47  -8.474  -2.662  -0.565
  396   2HG1  VAL  47          2HG1      VAL  47  -6.992  -3.649  -0.574
  397   3HG1  VAL  47          3HG1      VAL  47  -8.491  -4.301   0.129
  398   1HG2  VAL  47          1HG2      VAL  47  -9.614  -2.761   1.775
  399   2HG2  VAL  47          2HG2      VAL  47  -8.684  -3.844   2.839
  400   3HG2  VAL  47          3HG2      VAL  47  -8.584  -2.080   3.057
  401    H    CYS  48           H        CYS  48  -7.910  -5.540   2.288
  402    HA   CYS  48           HA       CYS  48  -6.191  -7.348   0.750
  403   1HB   CYS  48          2HB       CYS  48  -8.126  -8.446   2.723
  404   2HB   CYS  48          1HB       CYS  48  -6.570  -9.063   2.204
  405    H    ALA  49           H        ALA  49  -7.337  -8.891  -0.644
  406    HA   ALA  49           HA       ALA  49 -10.193  -8.507  -0.937
  407   1HB   ALA  49          1HB       ALA  49  -9.733  -6.849  -2.470
  408   2HB   ALA  49          2HB       ALA  49  -8.124  -7.503  -2.860
  409   3HB   ALA  49          3HB       ALA  49  -9.583  -8.266  -3.536
  410    H    ASP  50           H        ASP  50 -11.172 -10.229  -2.235
  411    HA   ASP  50           HA       ASP  50  -9.689 -12.633  -1.909
  412   1HB   ASP  50          2HB       ASP  50 -12.485 -11.827  -2.548
  413   2HB   ASP  50          1HB       ASP  50 -11.981 -13.321  -3.311
  414    HA   PRO  51           HA       PRO  51  -8.332 -12.594  -6.102
  415   1HB   PRO  51          2HB       PRO  51  -7.144 -15.054  -6.181
  416   2HB   PRO  51          1HB       PRO  51  -6.347 -13.625  -5.554
  417   1HG   PRO  51          2HG       PRO  51  -7.504 -15.904  -4.069
  418   2HG   PRO  51          1HG       PRO  51  -6.353 -14.704  -3.515
  419   1HD   PRO  51          2HD       PRO  51  -9.154 -14.807  -2.902
  420   2HD   PRO  51          1HD       PRO  51  -8.027 -13.546  -2.445
  421    H    GLN  52           H        GLN  52 -10.880 -14.209  -4.919
  422    HA   GLN  52           HA       GLN  52 -11.275 -15.885  -7.193
  423   1HB   GLN  52          2HB       GLN  52 -12.091 -16.171  -4.681
  424   2HB   GLN  52          1HB       GLN  52 -13.452 -15.203  -5.211
  425   1HG   GLN  52          2HG       GLN  52 -14.376 -17.119  -6.005
  426   2HG   GLN  52          1HG       GLN  52 -13.170 -17.082  -7.275
  427   1HE2  GLN  52          1HE2      GLN  52 -14.229 -19.437  -6.422
  428   2HE2  GLN  52          2HE2      GLN  52 -13.050 -20.388  -5.582
  429    H    ALA  53           H        ALA  53 -11.654 -12.562  -6.500
  430    HA   ALA  53           HA       ALA  53 -14.034 -12.168  -8.064
  431   1HB   ALA  53          1HB       ALA  53 -13.730 -10.643  -6.280
  432   2HB   ALA  53          2HB       ALA  53 -12.014 -10.385  -6.677
  433   3HB   ALA  53          3HB       ALA  53 -13.281  -9.716  -7.732
  434    H    THR  54           H        THR  54 -14.135 -11.916 -10.245
  435    HA   THR  54           HA       THR  54 -11.813 -12.275 -11.810
  436    HB   THR  54           HB       THR  54 -14.736 -11.582 -12.298
  437    HG1  THR  54           1HG      THR  54 -14.047 -13.784 -11.808
  438   1HG2  THR  54          1HG2      THR  54 -12.438 -11.732 -14.304
  439   2HG2  THR  54          2HG2      THR  54 -14.110 -12.140 -14.760
  440   3HG2  THR  54          3HG2      THR  54 -13.716 -10.498 -14.197
  441    H    TRP  55           H        TRP  55 -13.741  -9.376 -10.899
  442    HA   TRP  55           HA       TRP  55 -12.428  -7.594 -12.587
  443   1HB   TRP  55          2HB       TRP  55 -13.572  -5.953 -11.495
  444   2HB   TRP  55          1HB       TRP  55 -14.567  -7.351 -11.136
  445    HD1  TRP  55           HD       TRP  55 -14.761  -8.061  -8.555
  446    HE1  TRP  55           1HE      TRP  55 -14.019  -7.032  -6.241
  447    HE3  TRP  55           3HE      TRP  55 -11.608  -4.587 -10.515
  448    HZ2  TRP  55           2HZ      TRP  55 -12.237  -4.928  -5.506
  449    HZ3  TRP  55           3HZ      TRP  55 -10.406  -3.084  -8.930
  450    HH2  TRP  55           HH       TRP  55 -10.680  -3.214  -6.504
  451    H    VAL  56           H        VAL  56 -11.637  -8.992  -9.384
  452    HA   VAL  56           HA       VAL  56  -9.502  -7.227  -8.834
  453    HB   VAL  56           HB       VAL  56 -10.222  -9.984  -7.829
  454   1HG1  VAL  56          1HG1      VAL  56  -8.529  -9.924  -6.270
  455   2HG1  VAL  56          2HG1      VAL  56  -7.727  -9.126  -7.644
  456   3HG1  VAL  56          3HG1      VAL  56  -8.397  -8.150  -6.315
  457   1HG2  VAL  56          1HG2      VAL  56 -10.959  -8.706  -5.809
  458   2HG2  VAL  56          2HG2      VAL  56 -10.665  -7.198  -6.708
  459   3HG2  VAL  56          3HG2      VAL  56 -11.903  -8.345  -7.274
  460    H    ARG  57           H        ARG  57  -9.720 -10.539 -10.284
  461    HA   ARG  57           HA       ARG  57  -7.012 -10.889 -10.565
  462   1HB   ARG  57          2HB       ARG  57  -9.478 -12.145 -11.525
  463   2HB   ARG  57          1HB       ARG  57  -8.263 -12.170 -12.787
  464   1HG   ARG  57          2HG       ARG  57  -6.741 -13.442 -11.491
  465   2HG   ARG  57          1HG       ARG  57  -7.480 -12.972  -9.973
  466   1HD   ARG  57          2HD       ARG  57  -8.614 -14.944 -10.033
  467   2HD   ARG  57          1HD       ARG  57  -9.576 -14.263 -11.330
  468    HE   ARG  57           HE       ARG  57  -7.035 -15.363 -12.271
  469   1HH1  ARG  57          2HH2      ARG  57 -10.369 -16.140 -11.456
  470   2HH1  ARG  57          1HH2      ARG  57 -10.418 -17.556 -12.454
  471   1HH2  ARG  57          2HH1      ARG  57  -7.099 -17.230 -13.588
  472   2HH2  ARG  57          1HH1      ARG  57  -8.545 -18.180 -13.674
  473    H    ASP  58           H        ASP  58  -9.418  -9.151 -12.560
  474    HA   ASP  58           HA       ASP  58  -7.807  -8.919 -14.827
  475   1HB   ASP  58          2HB       ASP  58 -10.420  -8.311 -14.165
  476   2HB   ASP  58          1HB       ASP  58  -9.718  -6.707 -14.223
  477    H    VAL  59           H        VAL  59  -8.469  -6.849 -11.927
  478    HA   VAL  59           HA       VAL  59  -6.877  -4.682 -12.794
  479    HB   VAL  59           HB       VAL  59  -8.240  -5.554 -10.290
  480   1HG1  VAL  59          1HG1      VAL  59  -5.833  -3.824 -10.383
  481   2HG1  VAL  59          2HG1      VAL  59  -7.214  -3.181  -9.462
  482   3HG1  VAL  59          3HG1      VAL  59  -6.523  -4.766  -9.040
  483   1HG2  VAL  59          1HG2      VAL  59  -8.841  -3.860 -12.432
  484   2HG2  VAL  59          2HG2      VAL  59  -9.731  -4.003 -10.897
  485   3HG2  VAL  59          3HG2      VAL  59  -8.469  -2.762 -11.081
  486    H    VAL  60           H        VAL  60  -6.289  -7.676 -10.918
  487    HA   VAL  60           HA       VAL  60  -3.792  -6.992  -9.904
  488    HB   VAL  60           HB       VAL  60  -5.172  -9.571 -10.598
  489   1HG1  VAL  60          1HG1      VAL  60  -3.213 -10.561  -9.135
  490   2HG1  VAL  60          2HG1      VAL  60  -3.021 -10.354 -10.893
  491   3HG1  VAL  60          3HG1      VAL  60  -2.314  -9.164  -9.773
  492   1HG2  VAL  60          1HG2      VAL  60  -5.792  -9.637  -8.419
  493   2HG2  VAL  60          2HG2      VAL  60  -4.255  -8.945  -7.846
  494   3HG2  VAL  60          3HG2      VAL  60  -5.519  -7.880  -8.507
  495    H    ARG  61           H        ARG  61  -4.818  -8.333 -13.080
  496    HA   ARG  61           HA       ARG  61  -2.300  -8.950 -13.987
  497   1HB   ARG  61          2HB       ARG  61  -4.661  -9.437 -15.013
  498   2HB   ARG  61          1HB       ARG  61  -4.519  -7.865 -15.774
  499   1HG   ARG  61          2HG       ARG  61  -2.374 -10.016 -16.049
  500   2HG   ARG  61          1HG       ARG  61  -3.720  -9.882 -17.164
  501   1HD   ARG  61          2HD       ARG  61  -2.913  -7.307 -17.261
  502   2HD   ARG  61          1HD       ARG  61  -1.387  -8.012 -16.768
  503    HE   ARG  61           HE       ARG  61  -2.613  -9.464 -18.984
  504   1HH1  ARG  61          2HH2      ARG  61  -0.617  -6.689 -18.147
  505   2HH1  ARG  61          1HH2      ARG  61   0.149  -6.611 -19.699
  506   1HH2  ARG  61          2HH1      ARG  61  -1.603  -9.361 -21.032
  507   2HH2  ARG  61          1HH1      ARG  61  -0.416  -8.140 -21.350
  508    H    SER  62           H        SER  62  -4.233  -5.898 -14.176
  509    HA   SER  62           HA       SER  62  -2.292  -4.568 -15.724
  510   1HB   SER  62          2HB       SER  62  -4.850  -4.073 -15.408
  511   2HB   SER  62          1HB       SER  62  -4.354  -3.186 -13.980
  512    HG   SER  62           HG       SER  62  -3.123  -1.767 -15.253
  513    H    MET  63           H        MET  63  -3.184  -4.658 -12.219
  514    HA   MET  63           HA       MET  63  -1.726  -2.690 -11.203
  515   1HB   MET  63          2HB       MET  63  -2.130  -5.572 -10.275
  516   2HB   MET  63          1HB       MET  63  -1.261  -4.434  -9.264
  517   1HG   MET  63          2HG       MET  63  -3.618  -3.064 -10.108
  518   2HG   MET  63          1HG       MET  63  -4.140  -4.682  -9.684
  519   1HE   MET  63          1HE       MET  63  -1.003  -2.873  -7.210
  520   2HE   MET  63          2HE       MET  63  -1.417  -2.395  -8.874
  521   3HE   MET  63          3HE       MET  63  -2.066  -1.474  -7.496
  522    H    ASP  64           H        ASP  64  -0.451  -5.884 -12.300
  523    HA   ASP  64           HA       ASP  64   2.093  -5.615 -11.339
  524   1HB   ASP  64          2HB       ASP  64   0.813  -7.537 -12.692
  525   2HB   ASP  64          1HB       ASP  64   1.599  -6.806 -14.077
  526    H    ARG  65           H        ARG  65   0.580  -4.546 -14.456
  527    HA   ARG  65           HA       ARG  65   2.978  -3.563 -15.516
  528   1HB   ARG  65          2HB       ARG  65   1.352  -4.009 -17.159
  529   2HB   ARG  65          1HB       ARG  65   0.043  -3.352 -16.197
  530   1HG   ARG  65          2HG       ARG  65   0.514  -1.134 -16.800
  531   2HG   ARG  65          1HG       ARG  65   2.212  -1.457 -17.092
  532   1HD   ARG  65          2HD       ARG  65   1.161  -3.044 -19.034
  533   2HD   ARG  65          1HD       ARG  65  -0.144  -1.880 -18.914
  534    HE   ARG  65           HE       ARG  65   2.226  -0.358 -19.003
  535   1HH1  ARG  65          2HH2      ARG  65   0.562  -2.654 -21.087
  536   2HH1  ARG  65          1HH2      ARG  65   1.174  -1.963 -22.553
  537   1HH2  ARG  65          2HH1      ARG  65   3.035   0.553 -20.937
  538   2HH2  ARG  65          1HH1      ARG  65   2.591  -0.127 -22.466
  539    H    LYS  66           H        LYS  66   0.217  -2.139 -13.687
  540    HA   LYS  66           HA       LYS  66   0.901   0.535 -13.984
  541   1HB   LYS  66          2HB       LYS  66  -1.266  -0.161 -13.174
  542   2HB   LYS  66          1HB       LYS  66  -0.557  -0.929 -11.768
  543   1HG   LYS  66          2HG       LYS  66  -0.177   1.081 -10.677
  544   2HG   LYS  66          1HG       LYS  66   0.153   1.954 -12.160
  545   1HD   LYS  66          2HD       LYS  66  -2.355   1.745 -12.707
  546   2HD   LYS  66          1HD       LYS  66  -2.581   1.142 -11.077
  547   1HE   LYS  66          2HE       LYS  66  -2.762   3.311 -10.418
  548   2HE   LYS  66          1HE       LYS  66  -1.035   3.449 -10.681
  549   1HZ   LYS  66          1HZ       LYS  66  -1.364   4.355 -12.749
  550   2HZ   LYS  66          2HZ       LYS  66  -2.876   3.765 -12.922
  551   3HZ   LYS  66          3HZ       LYS  66  -2.599   5.014 -11.908
  552    H    SER  67           H        SER  67   2.139  -2.023 -11.816
  553    HA   SER  67           HA       SER  67   4.085  -0.055 -10.894
  554   1HB   SER  67          2HB       SER  67   2.254  -1.183  -9.249
  555   2HB   SER  67          1HB       SER  67   3.465  -2.449  -9.188
  556    HG   SER  67           HG       SER  67   4.530  -1.228  -7.802
  557    H    ASN  68           H        ASN  68   4.421  -1.559 -13.277
  558    HA   ASN  68           HA       ASN  68   5.682  -3.997 -12.826
  559   1HB   ASN  68          2HB       ASN  68   5.031  -2.297 -15.062
  560   2HB   ASN  68          1HB       ASN  68   6.738  -2.672 -15.191
  561   1HD2  ASN  68          1HD2      ASN  68   6.420  -3.941 -16.998
  562   2HD2  ASN  68          2HD2      ASN  68   5.730  -5.528 -16.939
  563    H    THR  69           H        THR  69   7.062  -0.786 -13.898
  564    HA   THR  69           HA       THR  69   9.628  -1.584 -12.718
  565    HB   THR  69           HB       THR  69   9.580  -0.979 -15.141
  566    HG1  THR  69           1HG      THR  69  11.517  -0.190 -14.402
  567   1HG2  THR  69          1HG2      THR  69   9.284   1.903 -14.732
  568   2HG2  THR  69          2HG2      THR  69   8.471   0.861 -15.924
  569   3HG2  THR  69          3HG2      THR  69   7.777   1.061 -14.297
  570    H    ARG  70           H        ARG  70   6.940   0.701 -12.448
  571    HA   ARG  70           HA       ARG  70   7.944   2.783 -11.211
  572   1HB   ARG  70          2HB       ARG  70   5.443   1.888 -11.499
  573   2HB   ARG  70          1HB       ARG  70   5.634   1.382  -9.832
  574   1HG   ARG  70          2HG       ARG  70   5.831   3.584  -9.033
  575   2HG   ARG  70          1HG       ARG  70   6.440   4.199 -10.556
  576   1HD   ARG  70          2HD       ARG  70   4.072   3.621 -11.516
  577   2HD   ARG  70          1HD       ARG  70   3.569   3.485  -9.843
  578    HE   ARG  70           HE       ARG  70   4.923   5.933  -9.980
  579   1HH1  ARG  70          2HH2      ARG  70   2.139   4.496 -11.581
  580   2HH1  ARG  70          1HH2      ARG  70   1.347   6.014 -11.846
  581   1HH2  ARG  70          2HH1      ARG  70   3.879   7.935 -10.328
  582   2HH2  ARG  70          1HH1      ARG  70   2.344   7.983 -11.128
  583    H    ASN  71           H        ASN  71   7.293  -0.416  -9.619
  584    HA   ASN  71           HA       ASN  71   7.795   0.050  -7.089
  585   1HB   ASN  71          2HB       ASN  71   8.060  -2.208  -8.857
  586   2HB   ASN  71          1HB       ASN  71   9.478  -2.212  -7.827
  587   1HD2  ASN  71          1HD2      ASN  71   8.610  -4.172  -6.965
  588   2HD2  ASN  71          2HD2      ASN  71   7.409  -4.145  -5.717
  589    H    ASN  72           H        ASN  72  10.344  -0.484  -9.636
  590    HA   ASN  72           HA       ASN  72  12.473  -0.062  -7.879
  591   1HB   ASN  72          2HB       ASN  72  12.058  -0.487 -10.778
  592   2HB   ASN  72          1HB       ASN  72  13.394   0.603 -10.464
  593   1HD2  ASN  72          1HD2      ASN  72  14.505  -1.267 -11.494
  594   2HD2  ASN  72          2HD2      ASN  72  15.120  -2.525 -10.475
  595    H    MET  73           H        MET  73  10.616   1.979 -10.214
  596    HA   MET  73           HA       MET  73  12.182   4.190 -10.269
  597   1HB   MET  73          2HB       MET  73  10.105   3.842 -11.616
  598   2HB   MET  73          1HB       MET  73   9.122   3.971 -10.170
  599   1HG   MET  73          2HG       MET  73   9.064   6.119 -11.340
  600   2HG   MET  73          1HG       MET  73   9.951   6.329  -9.843
  601   1HE   MET  73          1HE       MET  73  11.898   7.435  -9.650
  602   2HE   MET  73          2HE       MET  73  12.900   5.991  -9.935
  603   3HE   MET  73          3HE       MET  73  13.275   7.515 -10.776
  604    H    ILE  74           H        ILE  74  10.474   2.855  -7.551
  605    HA   ILE  74           HA       ILE  74  10.968   5.346  -6.075
  606    HB   ILE  74           HB       ILE  74   8.977   5.236  -5.001
  607   1HG1  ILE  74          2HG1      ILE  74   8.749   2.271  -5.597
  608   2HG1  ILE  74          1HG1      ILE  74   9.363   2.950  -4.103
  609   1HG2  ILE  74          1HG2      ILE  74   8.092   3.741  -7.467
  610   2HG2  ILE  74          2HG2      ILE  74   7.251   5.030  -6.574
  611   3HG2  ILE  74          3HG2      ILE  74   8.698   5.414  -7.538
  612   1HD1  ILE  74          1HD1      ILE  74   7.136   4.225  -3.904
  613   2HD1  ILE  74          2HD1      ILE  74   6.549   3.204  -5.238
  614   3HD1  ILE  74          3HD1      ILE  74   7.048   2.459  -3.700
  615    H    GLN  75           H        GLN  75  12.386   5.161  -4.417
  616    HA   GLN  75           HA       GLN  75  12.644   2.573  -3.170
  617   1HB   GLN  75          2HB       GLN  75  14.852   3.986  -4.683
  618   2HB   GLN  75          1HB       GLN  75  15.251   2.977  -3.307
  619   1HG   GLN  75          2HG       GLN  75  13.592   1.255  -4.578
  620   2HG   GLN  75          1HG       GLN  75  14.097   2.189  -5.972
  621   1HE2  GLN  75          1HE2      GLN  75  14.645  -0.571  -5.322
  622   2HE2  GLN  75          2HE2      GLN  75  16.364  -0.771  -5.251
  623    H    THR  76           H        THR  76  11.381   4.141  -1.669
  624    HA   THR  76           HA       THR  76  12.528   6.365  -0.515
  625    HB   THR  76           HB       THR  76  10.621   4.218   0.539
  626    HG1  THR  76           1HG      THR  76  10.327   5.855  -1.383
  627   1HG2  THR  76          1HG2      THR  76  10.403   5.363   2.509
  628   2HG2  THR  76          2HG2      THR  76  11.909   6.214   2.092
  629   3HG2  THR  76          3HG2      THR  76  10.337   6.921   1.650
  630    H    LYS  77           H        LYS  77  14.416   6.677   0.466
  631    HA   LYS  77           HA       LYS  77  15.528   4.388   1.927
  632   1HB   LYS  77          2HB       LYS  77  16.642   6.170  -0.016
  633   2HB   LYS  77          1HB       LYS  77  17.464   6.447   1.506
  634   1HG   LYS  77          2HG       LYS  77  18.008   4.067   1.724
  635   2HG   LYS  77          1HG       LYS  77  17.014   3.662   0.340
  636   1HD   LYS  77          2HD       LYS  77  19.076   3.746  -0.717
  637   2HD   LYS  77          1HD       LYS  77  18.609   5.425  -0.905
  638   1HE   LYS  77          2HE       LYS  77  19.836   5.189   1.682
  639   2HE   LYS  77          1HE       LYS  77  20.864   4.329   0.554
  640   1HZ   LYS  77          1HZ       LYS  77  21.495   6.576   0.540
  641   2HZ   LYS  77          2HZ       LYS  77  20.718   6.330  -0.875
  642   3HZ   LYS  77          3HZ       LYS  77  19.966   7.114   0.344
  643    HA   PRO  78           HA       PRO  78  14.511   6.893   5.382
  644   1HB   PRO  78          2HB       PRO  78  14.792   4.944   7.277
  645   2HB   PRO  78          1HB       PRO  78  13.300   5.219   6.399
  646   1HG   PRO  78          2HG       PRO  78  15.284   3.055   6.051
  647   2HG   PRO  78          1HG       PRO  78  13.621   3.118   5.502
  648   1HD   PRO  78          2HD       PRO  78  15.971   3.503   3.904
  649   2HD   PRO  78          1HD       PRO  78  14.308   3.680   3.381
  650    H    THR  79           H        THR  79  15.517   7.494   7.538
  651    HA   THR  79           HA       THR  79  18.422   7.108   7.332
  652    HB   THR  79           HB       THR  79  17.190   9.785   8.076
  653    HG1  THR  79           1HG      THR  79  17.990   8.773   5.442
  654   1HG2  THR  79          1HG2      THR  79  19.840   8.809   7.835
  655   2HG2  THR  79          2HG2      THR  79  19.550   9.708   6.327
  656   3HG2  THR  79          3HG2      THR  79  19.351  10.519   7.899
  657    H    GLY  80           H        GLY  80  19.573   7.617   9.392
  658   1HA   GLY  80          2HA       GLY  80  18.019   6.504  11.595
  659   2HA   GLY  80          1HA       GLY  80  19.758   6.702  11.503
  660    H    THR  81           H        THR  81  20.715   8.852  11.837
  661    HA   THR  81           HA       THR  81  18.874  10.817  12.995
  662    HB   THR  81           HB       THR  81  21.498  10.079  14.350
  663    HG1  THR  81           1HG      THR  81  20.449   8.193  14.839
  664   1HG2  THR  81          1HG2      THR  81  19.300  10.631  16.120
  665   2HG2  THR  81          2HG2      THR  81  20.753  11.625  15.857
  666   3HG2  THR  81          3HG2      THR  81  19.297  11.899  14.871
  667    H    GLN  82           H        GLN  82  20.159  12.940  13.461
  668    HA   GLN  82           HA       GLN  82  22.064  13.268  11.278
  669   1HB   GLN  82          2HB       GLN  82  19.493  14.630  11.740
  670   2HB   GLN  82          1HB       GLN  82  20.820  15.763  11.572
  671   1HG   GLN  82          2HG       GLN  82  21.322  15.077   9.378
  672   2HG   GLN  82          1HG       GLN  82  20.644  13.478   9.606
  673   1HE2  GLN  82          1HE2      GLN  82  19.326  13.522   7.853
  674   2HE2  GLN  82          2HE2      GLN  82  17.920  14.523   7.704
  675    H    GLN  83           H        GLN  83  23.282  15.518  11.590
  676    HA   GLN  83           HA       GLN  83  23.812  15.781  14.447
  677   1HB   GLN  83          2HB       GLN  83  25.586  14.607  12.862
  678   2HB   GLN  83          1HB       GLN  83  25.966  16.247  12.376
  679   1HG   GLN  83          2HG       GLN  83  26.562  16.889  14.628
  680   2HG   GLN  83          1HG       GLN  83  25.844  15.443  15.311
  681   1HE2  GLN  83          1HE2      GLN  83  27.544  14.519  16.252
  682   2HE2  GLN  83          2HE2      GLN  83  28.982  13.979  15.451
  683    H    SER  84           H        SER  84  24.849  17.962  15.017
  684    HA   SER  84           HA       SER  84  24.465  20.031  13.105
  685   1HB   SER  84          2HB       SER  84  22.757  20.095  15.629
  686   2HB   SER  84          1HB       SER  84  22.787  21.302  14.358
  687    HG   SER  84           HG       SER  84  21.087  20.132  13.684
  688    H    THR  85           H        THR  85  24.937  22.273  14.282
  689    HA   THR  85           HA       THR  85  27.233  21.773  16.014
  690    HB   THR  85           HB       THR  85  26.251  24.256  14.509
  691    HG1  THR  85           1HG      THR  85  26.975  22.516  13.131
  692   1HG2  THR  85          1HG2      THR  85  27.767  25.132  16.114
  693   2HG2  THR  85          2HG2      THR  85  28.714  23.626  16.173
  694   3HG2  THR  85          3HG2      THR  85  28.851  24.709  14.768
  695    H    ASN  86           H        ASN  86  27.625  23.468  17.784
  696    HA   ASN  86           HA       ASN  86  25.377  23.283  19.492
  697   1HB   ASN  86          2HB       ASN  86  26.942  24.591  21.079
  698   2HB   ASN  86          1HB       ASN  86  27.541  23.039  20.527
  699   1HD2  ASN  86          1HD2      ASN  86  27.650  26.520  20.000
  700   2HD2  ASN  86          2HD2      ASN  86  29.217  26.600  19.266
  701    H    THR  87           H        THR  87  24.716  25.382  20.804
  702    HA   THR  87           HA       THR  87  24.810  27.752  19.070
  703    HB   THR  87           HB       THR  87  22.363  28.058  19.556
  704    HG1  THR  87           1HG      THR  87  21.675  26.777  21.221
  705   1HG2  THR  87          1HG2      THR  87  23.012  25.265  18.472
  706   2HG2  THR  87          2HG2      THR  87  21.467  26.123  18.262
  707   3HG2  THR  87          3HG2      THR  87  22.945  26.751  17.494
  708    H    ALA  88           H        ALA  88  23.730  29.678  20.432
  709    HA   ALA  88           HA       ALA  88  24.007  29.620  23.207
  710   1HB   ALA  88          1HB       ALA  88  26.133  30.986  23.360
  711   2HB   ALA  88          2HB       ALA  88  26.373  29.289  22.879
  712   3HB   ALA  88          3HB       ALA  88  26.441  30.578  21.655
  713    H    VAL  89           H        VAL  89  22.366  31.033  23.560
  714    HA   VAL  89           HA       VAL  89  22.675  33.725  22.629
  715    HB   VAL  89           HB       VAL  89  21.645  32.534  20.694
  716   1HG1  VAL  89          1HG1      VAL  89  19.337  31.782  20.815
  717   2HG1  VAL  89          2HG1      VAL  89  20.318  30.900  22.010
  718   3HG1  VAL  89          3HG1      VAL  89  19.251  32.224  22.537
  719   1HG2  VAL  89          1HG2      VAL  89  21.335  34.923  20.949
  720   2HG2  VAL  89          2HG2      VAL  89  19.819  34.194  20.365
  721   3HG2  VAL  89          3HG2      VAL  89  19.980  34.665  22.074
  722    H    THR  90           H        THR  90  22.231  34.902  24.413
  723    HA   THR  90           HA       THR  90  20.324  33.753  26.332
  724    HB   THR  90           HB       THR  90  22.635  35.745  26.600
  725    HG1  THR  90           1HG      THR  90  23.623  33.865  27.286
  726   1HG2  THR  90          1HG2      THR  90  21.445  36.448  28.459
  727   2HG2  THR  90          2HG2      THR  90  20.375  35.026  28.426
  728   3HG2  THR  90          3HG2      THR  90  22.000  34.901  29.142
  729    H    LEU  91           H        LEU  91  18.748  35.114  27.354
  730    HA   LEU  91           HA       LEU  91  17.985  37.324  25.581
  731   1HB   LEU  91          2HB       LEU  91  16.192  35.985  25.411
  732   2HB   LEU  91          1HB       LEU  91  16.507  35.164  26.927
  733    HG   LEU  91           HG       LEU  91  15.614  37.168  28.141
  734   1HD1  LEU  91          1HD1      LEU  91  14.643  38.977  27.096
  735   2HD1  LEU  91          2HD1      LEU  91  16.020  38.643  26.019
  736   3HD1  LEU  91          3HD1      LEU  91  14.385  38.101  25.568
  737   1HD2  LEU  91          1HD2      LEU  91  14.086  35.453  28.093
  738   2HD2  LEU  91          2HD2      LEU  91  13.174  36.742  27.271
  739   3HD2  LEU  91          3HD2      LEU  91  13.960  35.460  26.317
  740    H    THR  92           H        THR  92  17.825  39.379  26.384
  741    HA   THR  92           HA       THR  92  19.113  40.073  28.715
  742    HB   THR  92           HB       THR  92  18.745  41.723  27.005
  743    HG1  THR  92           1HG      THR  92  17.888  43.290  28.413
  744   1HG2  THR  92          1HG2      THR  92  16.005  42.353  27.050
  745   2HG2  THR  92          2HG2      THR  92  16.852  41.525  25.722
  746   3HG2  THR  92          3HG2      THR  92  16.021  40.575  26.976
  747    H    GLY  93           H        GLY  93  18.476  40.729  30.803
  748   1HA   GLY  93          2HA       GLY  93  16.432  41.105  32.201
  749   2HA   GLY  93          1HA       GLY  93  15.905  39.531  31.640