*HEADER    INHIBITOR                               04-APR-02   1GXG
*TITLE     NON-COGNATE PROTEIN-PROTEIN INTERACTIONS: THE NMR STRUCTURE
*TITLE    2 OF THE COLICIN E8 INHIBITOR PROTEIN IM8 AND ITS INTERACTION
*TITLE    3 WITH THE DNASE DOMAIN OF COLICIN E9
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: COLICIN E8 IMMUNITY PROTEIN;
*COMPND   3 SYNONYM: IMME8, MICROCIN E8 IMMUNITY PROTEIN;
*COMPND   4 CHAIN: A;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 OTHER_DETAILS: IM8 IS THE IMMUNITY PROTEIN OF COLICIN E8
*COMPND   7 (DNASE)
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21 DE3
*KEYWDS    INHIBITOR PROTEIN OF DNASE COLICIN E8, BACTERIOCIN IMMUNITY,
*KEYWDS   2 PLASMID,
*EXPDTA    NMR, 1 STRUCTURE
*AUTHOR    C.S.LE DUFF,H.VIDELER,R.BOETZEL,M.CZISCH,R.JAMES,
*AUTHOR   2 C.KLEANTHOUS,G.R.MOORE
*REVDAT   1   01-MAY-02 1GXG    0




  2 GLU- HA      3 LEU  HN      2.62                
  2 GLU- HB2     3 LEU  HN      5.02                
  2 GLU- HB3     3 LEU  HN      5.02                
  2 GLU- QB      3 LEU  HN      4.28                
  3 LEU  HN      3 LEU  HA      2.56                
  3 LEU  HN      3 LEU  HB2     3.88                
  3 LEU  HN      3 LEU  HB3     3.88                
  3 LEU  HN      3 LEU  QB      3.28                
  3 LEU  HN      3 LEU  HG      2.53                
  3 LEU  HN      3 LEU  QD1     6.53                
  3 LEU  HN      3 LEU  QD2     6.53                
  3 LEU  HA      3 LEU  HG      3.46                
  3 LEU  HA      4 LYS+ HN      2.77                
  3 LEU  QB      3 LEU  HG      2.64                
  3 LEU  QB      4 LYS+ HN      4.46                
  3 LEU  QB     38 HIS  HD2     6.38                
  3 LEU  QB     38 HIS  HE1     4.64                
  3 LEU  QD1    38 HIS  HB2     8.28                
  3 LEU  QD1    38 HIS  HB3     8.28                
  3 LEU  QD2    38 HIS  HB2     8.28                
  3 LEU  QD2    38 HIS  HB3     8.28                
  3 LEU  QQD     4 LYS+ HN      8.10                
  3 LEU  QQD     4 LYS+ HA      6.95                
  3 LEU  QQD    18 ILE  HN      8.10                
  3 LEU  QQD    38 HIS  QB      6.50                
  3 LEU  QQD    38 HIS  HD2     7.01                
  3 LEU  QQD    38 HIS  HE1     8.10                
  4 LYS+ HN      4 LYS+ HA      2.77                
  4 LYS+ HN      4 LYS+ QB      3.72                
  4 LYS+ HN      4 LYS+ QG      4.07                
  4 LYS+ HN     10 TYR  QE      6.16                
  4 LYS+ HA      4 LYS+ QG      3.80                
  4 LYS+ HA      5 ASN  HN      2.71                
  4 LYS+ HA      6 SER  HN      3.76                
  4 LYS+ HA      9 ASP- QB      5.87                
  4 LYS+ HA     10 TYR  QE      6.22                
  4 LYS+ HB2     9 ASP- HB2     4.94                
  4 LYS+ HB2     9 ASP- HB3     4.94                
  4 LYS+ HB2    10 TYR  QE      6.22                
  4 LYS+ HB3     9 ASP- HB2     4.94                
  4 LYS+ HB3     9 ASP- HB3     4.94                
  4 LYS+ HB3    10 TYR  QE      6.22                
  4 LYS+ QB      5 ASN  HN      3.98                
  4 LYS+ QB      6 SER  HN      4.67                
  4 LYS+ QB      9 ASP- QB      3.68                
  4 LYS+ QB     10 TYR  QE      5.99                
  4 LYS+ QG      9 ASP- QB      5.58                
  4 LYS+ QG     10 TYR  QD      8.52                
  4 LYS+ QG     10 TYR  QE      6.71                
  4 LYS+ QE     10 TYR  QD      7.53                
  4 LYS+ QE     10 TYR  QE      7.52                
  5 ASN  HN      6 SER  HN      2.86                
  5 ASN  HN      9 ASP- QB      5.48                
  5 ASN  QB      6 SER  HN      4.43                
  6 SER  HN      6 SER  HB2     3.76                
  6 SER  HN      6 SER  HB3     3.76                
  6 SER  HN      6 SER  QB      3.49                
  6 SER  HN      9 ASP- HN      3.70                
  6 SER  HN      9 ASP- HB2     3.97                
  6 SER  HN      9 ASP- HB3     3.97                
  6 SER  HN      9 ASP- QB      3.48                
  6 SER  HN     42 VAL  QG1     6.53                
  6 SER  HN     42 VAL  QG2     6.53                
  6 SER  HA      6 SER  HB2     2.98                
  6 SER  HA      6 SER  HB3     2.98                
  6 SER  HA      7 ILE  HN      2.68                
  6 SER  HA      7 ILE  HA      5.05                
  6 SER  HA      8 SER  HN      4.12                
  6 SER  HA     42 VAL  HA      4.03                
  6 SER  HA     42 VAL  HB      3.76                
  6 SER  HA     42 VAL  QG1     5.78                
  6 SER  HA     42 VAL  QG2     5.78                
  6 SER  HA     42 VAL  QQG     5.27                
  6 SER  HB2     7 ILE  HN      3.61                
  6 SER  HB2     8 SER  HN      3.28                
  6 SER  HB3     7 ILE  HN      3.61                
  6 SER  HB3     8 SER  HN      3.28                
  6 SER  QB      7 ILE  HN      3.29                
  6 SER  QB      7 ILE  QG2     7.41                
  6 SER  QB      9 ASP- HN      4.55                
  7 ILE  HN      7 ILE  HB      2.74                
  7 ILE  HN      7 ILE  QG2     4.48                
  7 ILE  HN      7 ILE  HG12    3.70                
  7 ILE  HN      7 ILE  HG13    3.70                
  7 ILE  HN      7 ILE  QG1     3.24                
  7 ILE  HN      7 ILE  QD1     6.53                
  7 ILE  HN      8 SER  HN      3.25                
  7 ILE  HN      9 ASP- HN      5.50                
  7 ILE  HN     42 VAL  HA      3.79                
  7 ILE  HN     42 VAL  QG1     6.53                
  7 ILE  HN     42 VAL  QG2     6.53                
  7 ILE  HA      7 ILE  QG1     3.63                
  7 ILE  HA      7 ILE  QD1     3.92                
  7 ILE  HA      9 ASP- HN      4.54                
  7 ILE  HA     10 TYR  HN      4.06                
  7 ILE  HA     10 TYR  QD      4.88                
  7 ILE  HA     42 VAL  QQG     7.81                
  7 ILE  HB      8 SER  HN      3.64                
  7 ILE  HB     10 TYR  QD      6.56                
  7 ILE  HB     42 VAL  QQG     8.09                
  7 ILE  QG2     8 SER  HN      4.57                
  7 ILE  QG2    10 TYR  QD      8.67                
  7 ILE  QG2    42 VAL  QG1     7.56                
  7 ILE  QG2    42 VAL  QG2     7.56                
  7 ILE  QG2    43 THR  HA      6.53                
  7 ILE  QG2    70 ILE  QG2     7.56                
  7 ILE  QG2    74 ARG+ QD      7.41                
  7 ILE  QG2    82 PHE  HN      6.53                
  7 ILE  QG2    82 PHE  QD      8.65                
  7 ILE  QG2    82 PHE  QE      8.65                
  7 ILE  QG2    82 PHE  HZ      6.53                
  7 ILE  QG2    83 LYS+ HN      6.53                
  7 ILE  QG1    10 TYR  QD      8.49                
  7 ILE  QG1    15 PHE  QD      5.95                
  7 ILE  QG1    43 THR  HA      4.88                
  7 ILE  QG1    82 PHE  QD      6.70                
  7 ILE  QG1    82 PHE  QE      7.45                
  7 ILE  QD1    10 TYR  QD      8.67                
  7 ILE  QD1    15 PHE  QD      8.65                
  7 ILE  QD1    15 PHE  HZ      5.35                
  7 ILE  QD1    42 VAL  QQG     9.12                
  7 ILE  QD1    43 THR  HN      6.53                
  7 ILE  QD1    43 THR  HA      4.05                
  7 ILE  QD1    43 THR  QG2     5.04                
  7 ILE  QD1    70 ILE  QG1     7.41                
  7 ILE  QD1    74 ARG+ QD      7.41                
  7 ILE  QD1    82 PHE  QD      8.65                
  7 ILE  QD1    82 PHE  QE      7.44                
  7 ILE  QD1    82 PHE  HZ      4.73                
  8 SER  HN      8 SER  HB2     3.10                
  8 SER  HN      8 SER  HB3     3.10                
  8 SER  HN      9 ASP- HN      3.13                
  8 SER  HA      9 ASP- HN      3.64                
  8 SER  HA     10 TYR  HN      3.70                
  8 SER  HA     82 PHE  QD      7.14                
  8 SER  HA     83 LYS+ HN      3.52                
  9 ASP- HN      9 ASP- HB2     3.22                
  9 ASP- HN      9 ASP- HB3     3.22                
  9 ASP- HN      9 ASP- QB      2.93                
  9 ASP- HN     10 TYR  HN      2.95                
  9 ASP- HN     10 TYR  QD      7.04                
  9 ASP- HA      9 ASP- HB2     3.04                
  9 ASP- HA      9 ASP- HB3     3.04                
  9 ASP- HA      9 ASP- QB      2.73                
  9 ASP- HB2    10 TYR  HN      4.39                
  9 ASP- HB3    10 TYR  HN      4.39                
  9 ASP- QB     10 TYR  HN      4.11                
  9 ASP- QB     10 TYR  QD      8.52                
  9 ASP- QB     10 TYR  QE      7.16                
 10 TYR  HN     10 TYR  HB2     3.34                
 10 TYR  HN     10 TYR  HB3     3.34                
 10 TYR  HN     10 TYR  QB      3.07                
 10 TYR  HN     82 PHE  QD      6.39                
 10 TYR  HN     83 LYS+ HN      5.05                
 10 TYR  HA     11 THR  HN      2.80                
 10 TYR  HB2    11 THR  HN      4.66                
 10 TYR  HB2    82 PHE  QD      5.34                
 10 TYR  HB2    82 PHE  QE      6.36                
 10 TYR  HB3    11 THR  HN      4.66                
 10 TYR  HB3    82 PHE  QD      5.34                
 10 TYR  HB3    82 PHE  QE      6.36                
 10 TYR  QB     11 THR  HN      4.09                
 10 TYR  QB     15 PHE  HN      4.31                
 10 TYR  QB     15 PHE  QD      7.15                
 10 TYR  QB     82 PHE  QE      6.16                
 10 TYR  QD     11 THR  HN      6.29                
 10 TYR  QD     11 THR  QG2     8.67                
 10 TYR  QD     14 GLU- QB      6.06                
 10 TYR  QD     14 GLU- QG      8.43                
 10 TYR  QD     15 PHE  HN      6.74                
 10 TYR  QD     15 PHE  HA      6.62                
 10 TYR  QD     15 PHE  QB      7.47                
 10 TYR  QD     15 PHE  QD      8.32                
 10 TYR  QD     42 VAL  HA      6.71                
 10 TYR  QD     42 VAL  QG1     8.67                
 10 TYR  QD     42 VAL  QG2     8.67                
 10 TYR  QD     82 PHE  QB      6.12                
 10 TYR  QD     82 PHE  QE      9.13                
 10 TYR  QE     14 GLU- QB      8.30                
 10 TYR  QE     38 HIS  HE1     5.83                
 10 TYR  QE     42 VAL  HA      6.79                
 10 TYR  QE     42 VAL  QG1     6.52                
 10 TYR  QE     42 VAL  QG2     6.52                
 10 TYR  QE     42 VAL  QQG     5.85                
 11 THR  HN     11 THR  HA      2.80                
 11 THR  HN     11 THR  QG2     3.61                
 11 THR  HN     14 GLU- HN      4.36                
 11 THR  HN     14 GLU- QB      4.28                
 11 THR  HN     82 PHE  QB      3.74                
 11 THR  HN     83 LYS+ QB      5.21                
 11 THR  HN     83 LYS+ QE      5.33                
 11 THR  HA     11 THR  QG2     3.58                
 11 THR  HA     12 GLU- HN      2.65                
 11 THR  HA     13 THR  HN      4.24                
 11 THR  HA     82 PHE  QB      3.86                
 11 THR  HA     82 PHE  QD      6.03                
 11 THR  HA     83 LYS+ HN      3.13                
 11 THR  HA     83 LYS+ HB2     3.34                
 11 THR  HA     83 LYS+ HB3     3.34                
 11 THR  HA     83 LYS+ QB      2.98                
 11 THR  HB     12 GLU- HN      2.68                
 11 THR  HB     13 THR  HN      3.07                
 11 THR  HB     14 GLU- HN      3.64                
 11 THR  HB     83 LYS+ HB2     3.79                
 11 THR  HB     83 LYS+ HB3     3.79                
 11 THR  HB     83 LYS+ QB      3.51                
 11 THR  QG2    12 GLU- HN      5.19                
 11 THR  QG2    15 PHE  HN      6.53                
 11 THR  QG2    83 LYS+ HN      6.53                
 11 THR  O      15 PHE  HN      2.30                
 12 GLU- HN     12 GLU- HB2     3.85                
 12 GLU- HN     12 GLU- HB3     3.85                
 12 GLU- HN     12 GLU- QB      3.28                
 12 GLU- HN     12 GLU- QG      3.92                
 12 GLU- HN     13 THR  HN      3.28                
 12 GLU- HN     14 GLU- HN      4.42                
 12 GLU- HN     82 PHE  HB2     3.79                
 12 GLU- HN     82 PHE  HB3     3.79                
 12 GLU- HN     82 PHE  QB      3.58                
 12 GLU- HN     82 PHE  QD      6.75                
 12 GLU- HN     83 LYS+ HN      4.78                
 12 GLU- HN     83 LYS+ QB      3.62                
 12 GLU- HA     12 GLU- HB2     2.89                
 12 GLU- HA     12 GLU- HB3     2.89                
 12 GLU- HA     12 GLU- QG      3.92                
 12 GLU- HA     15 PHE  HN      3.70                
 12 GLU- HA     15 PHE  QD      7.62                
 12 GLU- HA     67 ILE  QD1     6.47                
 12 GLU- HA     82 PHE  QD      5.76                
 12 GLU- HA     82 PHE  QE      6.45                
 12 GLU- QB     13 THR  HN      4.19                
 12 GLU- QB     82 PHE  QD      6.85                
 12 GLU- QG     82 PHE  HB2     6.20                
 12 GLU- QG     82 PHE  HB3     6.20                
 12 GLU- QG     82 PHE  QB      5.79                
 12 GLU- QG     82 PHE  QD      6.58                
 12 GLU- O      16 LYS+ HN      2.30                
 13 THR  HN     13 THR  HB      2.86                
 13 THR  HN     14 GLU- HN      3.16                
 13 THR  HN     15 PHE  HN      4.57                
 13 THR  HA     13 THR  HB      3.04                
 13 THR  HA     13 THR  QG2     3.61                
 13 THR  HA     16 LYS+ HN      3.49                
 13 THR  HA     16 LYS+ HB2     3.07                
 13 THR  HA     16 LYS+ HB3     3.07                
 13 THR  HA     16 LYS+ QB      2.82                
 13 THR  HA     16 LYS+ QD      4.37                
 13 THR  HB     14 GLU- HN      3.28                
 13 THR  QG2    14 GLU- HN      5.75                
 13 THR  QG2    16 LYS+ QE      7.40                
 13 THR  O      17 LYS+ HN      2.30                
 14 GLU- HN     14 GLU- HB2     3.49                
 14 GLU- HN     14 GLU- HB3     3.49                
 14 GLU- HN     14 GLU- QB      3.10                
 14 GLU- HN     14 GLU- HG2     3.43                
 14 GLU- HN     14 GLU- HG3     3.43                
 14 GLU- HN     14 GLU- QG      2.91                
 14 GLU- HN     15 PHE  HN      3.28                
 14 GLU- HN     16 LYS+ HN      4.03                
 14 GLU- HA     14 GLU- HG2     3.19                
 14 GLU- HA     14 GLU- HG3     3.19                
 14 GLU- HA     14 GLU- QG      2.94                
 14 GLU- HA     17 LYS+ HN      4.18                
 14 GLU- O      18 ILE  HN      2.30                
 15 PHE  HN     15 PHE  HB2     2.77                
 15 PHE  HN     15 PHE  HB3     2.77                
 15 PHE  HN     16 LYS+ HN      3.16                
 15 PHE  HN     17 LYS+ HN      4.42                
 15 PHE  HN     82 PHE  QE      7.23                
 15 PHE  HA     18 ILE  HN      3.82                
 15 PHE  HA     18 ILE  HB      3.34                
 15 PHE  HA     18 ILE  QG1     5.81                
 15 PHE  HB2    16 LYS+ HN      4.18                
 15 PHE  HB3    16 LYS+ HN      4.18                
 15 PHE  QB     16 LYS+ HN      3.75                
 15 PHE  QB     82 PHE  QD      7.39                
 15 PHE  QB     82 PHE  QE      6.13                
 15 PHE  QB     82 PHE  HZ      4.97                
 15 PHE  QD     16 LYS+ HN      7.02                
 15 PHE  QD     16 LYS+ HA      6.12                
 15 PHE  QD     18 ILE  QG2     7.53                
 15 PHE  QD     18 ILE  QD1     8.65                
 15 PHE  QD     19 ILE  HN      6.27                
 15 PHE  QD     19 ILE  QG2     6.42                
 15 PHE  QD     19 ILE  QG1     8.23                
 15 PHE  QD     38 HIS  HD2     7.62                
 15 PHE  QD     42 VAL  QQG    10.21                
 15 PHE  QD     67 ILE  HA      7.62                
 15 PHE  QD     67 ILE  QG2     8.65                
 15 PHE  QD     67 ILE  QG1     7.72                
 15 PHE  QD     67 ILE  QD1     8.65                
 15 PHE  QD     82 PHE  QD      9.47                
 15 PHE  QD     82 PHE  QE      7.94                
 15 PHE  QD     82 PHE  HZ      5.49                
 15 PHE  HZ     18 ILE  QD1     6.53                
 15 PHE  HZ     39 PHE  HA      2.71                
 15 PHE  HZ     39 PHE  QE      5.91                
 15 PHE  HZ     42 VAL  QG1     6.53                
 15 PHE  HZ     42 VAL  QG2     6.53                
 15 PHE  HZ     42 VAL  QQG     5.61                
 15 PHE  HZ     43 THR  QG2     3.52                
 15 PHE  HZ     70 ILE  QG1     3.89                
 15 PHE  O      19 ILE  HN      2.30                
 16 LYS+ HN     16 LYS+ HB2     2.92                
 16 LYS+ HN     16 LYS+ HB3     2.92                
 16 LYS+ HN     16 LYS+ QB      2.72                
 16 LYS+ HN     16 LYS+ HG2     5.50                
 16 LYS+ HN     16 LYS+ HG3     5.50                
 16 LYS+ HN     16 LYS+ QG      4.82                
 16 LYS+ HN     16 LYS+ QD      4.19                
 16 LYS+ HN     16 LYS+ QE      4.37                
 16 LYS+ HN     17 LYS+ HN      3.34                
 16 LYS+ HN     18 ILE  HN      4.36                
 16 LYS+ HA     16 LYS+ QG      3.42                
 16 LYS+ HA     16 LYS+ HD2     3.49                
 16 LYS+ HA     16 LYS+ HD3     3.49                
 16 LYS+ HA     16 LYS+ QD      2.96                
 16 LYS+ HA     19 ILE  HN      3.25                
 16 LYS+ HA     19 ILE  HB      3.01                
 16 LYS+ HA     19 ILE  QG2     4.05                
 16 LYS+ HA     20 GLU- HN      3.73                
 16 LYS+ HA     20 GLU- HB2     3.64                
 16 LYS+ HB2    17 LYS+ HN      4.33                
 16 LYS+ HB3    17 LYS+ HN      4.33                
 16 LYS+ QB     16 LYS+ QE      4.62                
 16 LYS+ QB     17 LYS+ HN      3.92                
 16 LYS+ QD     17 LYS+ HN      5.90                
 16 LYS+ O      20 GLU- HN      2.30                
 17 LYS+ HN     17 LYS+ HA      2.89                
 17 LYS+ HN     17 LYS+ HB2     2.89                
 17 LYS+ HN     17 LYS+ HB3     2.89                
 17 LYS+ HN     17 LYS+ QG      4.01                
 17 LYS+ HN     17 LYS+ QD      5.33                
 17 LYS+ HN     17 LYS+ QE      6.38                
 17 LYS+ HN     18 ILE  HN      3.28                
 17 LYS+ HA     17 LYS+ QG      3.98                
 17 LYS+ HA     20 GLU- HN      3.79                
 17 LYS+ HA     20 GLU- HB2     3.19                
 17 LYS+ HA     20 GLU- HB3     4.09                
 17 LYS+ HA     21 ASP- HN      3.85                
 17 LYS+ HB2    18 ILE  HN      4.00                
 17 LYS+ HB3    18 ILE  HN      4.00                
 17 LYS+ QB     18 ILE  HN      3.59                
 17 LYS+ O      21 ASP- HN      2.30                
 18 ILE  HN     18 ILE  HB      2.74                
 18 ILE  HN     18 ILE  HG12    5.50                
 18 ILE  HN     18 ILE  HG13    5.50                
 18 ILE  HN     18 ILE  QD1     6.53                
 18 ILE  HA     18 ILE  HG12    3.04                
 18 ILE  HA     18 ILE  HG13    3.04                
 18 ILE  HA     18 ILE  QG1     2.83                
 18 ILE  HA     18 ILE  QD1     4.08                
 18 ILE  HA     21 ASP- HN      3.55                
 18 ILE  HA     21 ASP- HB2     3.55                
 18 ILE  HA     21 ASP- HB3     3.55                
 18 ILE  HA     21 ASP- QB      3.20                
 18 ILE  HB     18 ILE  QG1     2.64                
 18 ILE  HB     18 ILE  QD1     3.58                
 18 ILE  HB     19 ILE  HN      3.25                
 18 ILE  QG2    19 ILE  HA      5.54                
 18 ILE  QG2    38 HIS  HD2     4.02                
 18 ILE  QG1    38 HIS  HD2     5.60                
 18 ILE  QD1    19 ILE  HN      6.50                
 18 ILE  QD1    19 ILE  HA      6.28                
 18 ILE  QD1    22 ILE  QD1     7.00                
 18 ILE  QD1    35 ASN  QB      7.41                
 18 ILE  QD1    38 HIS  HD2     4.98                
 18 ILE  QD1    39 PHE  HN      6.53                
 18 ILE  QD1    39 PHE  QB      5.52                
 18 ILE  O      22 ILE  HN      2.30                
 19 ILE  HN     19 ILE  HB      2.83                
 19 ILE  HN     19 ILE  QG1     3.59                
 19 ILE  HN     19 ILE  QD1     4.57                
 19 ILE  HN     20 GLU- HN      3.19                
 19 ILE  HN     22 ILE  QG2     6.53                
 19 ILE  HA     19 ILE  QD1     3.71                
 19 ILE  HA     22 ILE  HN      4.63                
 19 ILE  HA     22 ILE  QD1     3.92                
 19 ILE  HA     39 PHE  QD      7.62                
 19 ILE  HA     52 ILE  QD1     6.53                
 19 ILE  HB     20 GLU- HN      3.04                
 19 ILE  QG2    39 PHE  QE      5.83                
 19 ILE  QG2    39 PHE  HZ      6.53                
 19 ILE  QD1    39 PHE  QE      8.12                
 19 ILE  O      23 ILE  HN      2.30                
 20 GLU- HN     20 GLU- HB2     2.74                
 20 GLU- HN     20 GLU- HB3     3.22                
 20 GLU- HN     20 GLU- QG      3.89                
 20 GLU- HN     21 ASP- HN      3.55                
 20 GLU- HA     20 GLU- HB2     2.56                
 20 GLU- HA     20 GLU- HB3     2.98                
 20 GLU- HA     20 GLU- QG      3.80                
 20 GLU- HA     23 ILE  HN      3.49                
 20 GLU- HA     23 ILE  HB      2.98                
 20 GLU- HB2    21 ASP- HN      3.40                
 20 GLU- HB2    24 ASN  QD2     4.54                
 20 GLU- HB3    21 ASP- HN      3.43                
 20 GLU- HB3    24 ASN  QD2     4.30                
 21 ASP- HN     21 ASP- HB2     3.85                
 21 ASP- HN     21 ASP- HB3     3.85                
 21 ASP- HN     21 ASP- QB      3.25                
 21 ASP- HN     22 ILE  HN      3.01                
 21 ASP- HA     24 ASN  HN      4.84                
 21 ASP- HA     26 GLU- HN      3.91                
 22 ILE  HN     22 ILE  QG2     4.88                
 22 ILE  HN     22 ILE  QG1     4.34                
 22 ILE  HN     22 ILE  QD1     6.53                
 22 ILE  HN     23 ILE  HN      2.95                
 22 ILE  HA     22 ILE  HB      2.83                
 22 ILE  HA     25 CYS  HN      3.70                
 22 ILE  HB     22 ILE  QD1     3.43                
 22 ILE  HB     23 ILE  HN      2.92                
 22 ILE  QG2    36 LEU  HA      6.53                
 22 ILE  QG2    39 PHE  QE      8.65                
 22 ILE  QG2    53 TYR  QE      8.63                
 22 ILE  QG1    35 ASN  QB      5.49                
 22 ILE  QD1    35 ASN  QB      6.23                
 22 ILE  QD1    36 LEU  HA      5.88                
 22 ILE  QD1    36 LEU  QD1     7.56                
 22 ILE  QD1    36 LEU  QD2     7.56                
 22 ILE  QD1    39 PHE  HN      6.53                
 22 ILE  QD1    39 PHE  HB2     5.54                
 22 ILE  QD1    39 PHE  HB3     5.54                
 22 ILE  QD1    39 PHE  QB      4.68                
 22 ILE  QD1    39 PHE  QD      8.65                
 22 ILE  QD1    39 PHE  QE      8.65                
 22 ILE  QD1    52 ILE  QD1     6.81                
 23 ILE  HN     23 ILE  HA      2.92                
 23 ILE  HN     23 ILE  HB      2.68                
 23 ILE  HN     23 ILE  QG1     3.77                
 23 ILE  HN     23 ILE  QD1     5.10                
 23 ILE  HN     24 ASN  HN      3.16                
 23 ILE  HA     23 ILE  QD1     4.67                
 23 ILE  HA     52 ILE  QG2     6.53                
 23 ILE  HB     24 ASN  HN      3.01                
 23 ILE  QG2    24 ASN  HN      6.53                
 23 ILE  QG2    52 ILE  QG2     7.56                
 23 ILE  QG1    52 ILE  QG2     7.40                
 24 ASN  HN     24 ASN  HB2     3.01                
 24 ASN  HN     24 ASN  HB3     3.01                
 24 ASN  HN     24 ASN  QB      2.71                
 24 ASN  HN     25 CYS  HN      3.01                
 24 ASN  HB2    24 ASN  HD21    3.73                
 24 ASN  HB2    24 ASN  HD22    3.73                
 24 ASN  HB3    24 ASN  HD21    3.73                
 24 ASN  HB3    24 ASN  HD22    3.73                
 24 ASN  QB     24 ASN  QD2     3.08                
 24 ASN  QD2    25 CYS  HN      4.48                
 25 CYS  HN     25 CYS  HA      2.86                
 25 CYS  HN     25 CYS  QB      3.87                
 25 CYS  HN     26 GLU- HN      3.04                
 25 CYS  HA     26 GLU- HN      2.95                
 25 CYS  QB     32 GLN  QE2     5.77                
 26 GLU- HN     26 GLU- HA      2.65                
 26 GLU- HN     26 GLU- HB2     2.89                
 26 GLU- HN     26 GLU- HB3     2.89                
 26 GLU- HN     26 GLU- QG      4.07                
 26 GLU- HA     27 GLY  HN      2.53                
 26 GLU- QG     27 GLY  HN      4.64                
 27 GLY  HN     28 ASP- HN      5.05                
 27 GLY  QA     28 ASP- HN      3.12                
 28 ASP- HN     28 ASP- HB2     3.25                
 28 ASP- HN     28 ASP- HB3     3.25                
 28 ASP- HN     28 ASP- QB      2.98                
 28 ASP- HN     29 GLU- HN      3.70                
 28 ASP- HN     31 LYS+ HN      5.50                
 28 ASP- HN     31 LYS+ HB2     3.37                
 28 ASP- HN     31 LYS+ HB3     3.37                
 28 ASP- HN     31 LYS+ QB      3.12                
 28 ASP- HA     29 GLU- HN      2.86                
 28 ASP- QB     29 GLU- HN      4.22                
 29 GLU- HN     29 GLU- QB      3.80                
 29 GLU- HN     29 GLU- QG      3.92                
 29 GLU- HN     30 LYS+ HN      3.07                
 29 GLU- HN     31 LYS+ HN      4.24                
 29 GLU- HA     32 GLN  HN      3.94                
 29 GLU- HA     32 GLN  QB      5.03                
 29 GLU- HA     32 GLN  HE21    4.96                
 29 GLU- HA     32 GLN  HE22    4.96                
 29 GLU- HA     32 GLN  QE2     4.78                
 29 GLU- HA     33 ASP- HN      4.03                
 29 GLU- QB     30 LYS+ HN      4.16                
 29 GLU- QG     30 LYS+ HN      5.93                
 30 LYS+ HN     30 LYS+ HA      2.74                
 30 LYS+ HN     30 LYS+ HG2     3.01                
 30 LYS+ HN     30 LYS+ HG3     3.01                
 30 LYS+ HN     30 LYS+ QG      2.71                
 30 LYS+ HN     30 LYS+ QE      4.73                
 30 LYS+ HN     31 LYS+ HN      2.83                
 30 LYS+ HN     32 GLN  HN      5.32                
 30 LYS+ HA     30 LYS+ QG      3.38                
 30 LYS+ HA     31 LYS+ HN      3.40                
 30 LYS+ HA     33 ASP- HN      3.07                
 30 LYS+ HA     34 ASP- HN      3.88                
 30 LYS+ HB2    31 LYS+ HN      3.52                
 30 LYS+ HB3    31 LYS+ HN      3.52                
 30 LYS+ QB     31 LYS+ HN      3.21                
 31 LYS+ HN     31 LYS+ HA      2.68                
 31 LYS+ HN     31 LYS+ HB2     2.62                
 31 LYS+ HN     31 LYS+ HB3     2.62                
 31 LYS+ HN     31 LYS+ QB      2.41                
 31 LYS+ HN     31 LYS+ HG2     4.18                
 31 LYS+ HN     31 LYS+ HG3     4.18                
 31 LYS+ HN     31 LYS+ QG      3.88                
 31 LYS+ HN     32 GLN  HN      2.86                
 31 LYS+ HA     31 LYS+ QG      3.77                
 31 LYS+ HA     34 ASP- HN      3.43                
 31 LYS+ HA     34 ASP- HB2     3.58                
 31 LYS+ HA     34 ASP- HB3     3.58                
 31 LYS+ HA     34 ASP- QB      3.26                
 31 LYS+ QB     32 GLN  HN      4.31                
 31 LYS+ QG     32 GLN  HN      6.38                
 32 GLN  HN     32 GLN  HG2     2.95                
 32 GLN  HN     32 GLN  HG3     2.95                
 32 GLN  HN     33 ASP- HN      3.22                
 32 GLN  HN     33 ASP- QB      5.18                
 32 GLN  HN     34 ASP- HN      4.39                
 32 GLN  HA     33 ASP- HN      3.58                
 32 GLN  HA     35 ASN  HN      4.09                
 32 GLN  HA     35 ASN  HB2     3.61                
 32 GLN  HA     35 ASN  HB3     3.61                
 32 GLN  HA     35 ASN  QB      3.29                
 32 GLN  HA     36 LEU  HN      5.50                
 32 GLN  QB     33 ASP- HN      4.37                
 32 GLN  HG2    33 ASP- HN      5.44                
 32 GLN  HG3    33 ASP- HN      5.44                
 32 GLN  QG     32 GLN  QE2     3.30                
 32 GLN  QG     33 ASP- HN      4.58                
 33 ASP- HN     33 ASP- HA      2.89                
 33 ASP- HN     33 ASP- HB2     2.98                
 33 ASP- HN     33 ASP- HB3     2.98                
 33 ASP- HN     33 ASP- QB      2.68                
 33 ASP- HN     34 ASP- HN      3.07                
 33 ASP- HN     35 ASN  HN      5.50                
 33 ASP- HA     34 ASP- HN      3.43                
 33 ASP- HA     36 LEU  HN      3.67                
 33 ASP- HA     36 LEU  HB2     3.22                
 33 ASP- HA     36 LEU  HB3     3.22                
 33 ASP- HA     36 LEU  QB      3.01                
 33 ASP- HA     36 LEU  QD1     6.53                
 33 ASP- HA     36 LEU  QD2     6.53                
 33 ASP- QB     34 ASP- HN      4.37                
 33 ASP- QB     34 ASP- HA      4.67                
 34 ASP- HN     34 ASP- HA      2.80                
 34 ASP- HN     34 ASP- HB2     3.25                
 34 ASP- HN     34 ASP- HB3     3.25                
 34 ASP- HN     34 ASP- QB      2.80                
 34 ASP- HN     35 ASN  HN      2.86                
 34 ASP- HA     37 GLU- HN      3.88                
 34 ASP- HA     37 GLU- QB      3.95                
 34 ASP- HA     38 HIS  HN      4.66                
 34 ASP- HB2    35 ASN  HN      3.88                
 34 ASP- HB3    35 ASN  HN      3.88                
 34 ASP- QB     35 ASN  HN      3.40                
 35 ASN  HN     35 ASN  HB2     3.55                
 35 ASN  HN     35 ASN  HB3     3.55                
 35 ASN  HN     35 ASN  QB      3.19                
 35 ASN  HN     36 LEU  HN      3.01                
 35 ASN  HA     38 HIS  HN      3.49                
 35 ASN  HA     38 HIS  HB2     3.43                
 35 ASN  HA     38 HIS  HB3     3.43                
 35 ASN  HA     38 HIS  QB      3.21                
 35 ASN  HA     38 HIS  HD2     4.93                
 35 ASN  HA     39 PHE  HN      3.70                
 35 ASN  HB2    36 LEU  HN      4.18                
 35 ASN  HB3    36 LEU  HN      4.18                
 35 ASN  QB     36 LEU  HN      3.74                
 35 ASN  QD2    39 PHE  QB      5.32                
 35 ASN  QD2    49 SER  HA      5.95                
 35 ASN  QD2    52 ILE  QD1     7.40                
 35 ASN  O      39 PHE  HN      2.30                
 36 LEU  HN     36 LEU  HA      2.74                
 36 LEU  HN     36 LEU  HB2     3.22                
 36 LEU  HN     36 LEU  HB3     3.22                
 36 LEU  HN     36 LEU  QB      2.92                
 36 LEU  HN     36 LEU  HG      2.77                
 36 LEU  HN     36 LEU  QD1     6.53                
 36 LEU  HN     36 LEU  QD2     6.53                
 36 LEU  HN     37 GLU- HN      3.10                
 36 LEU  HN     37 GLU- QB      6.38                
 36 LEU  HA     36 LEU  QD1     6.53                
 36 LEU  HA     36 LEU  QD2     6.53                
 36 LEU  HA     37 GLU- HN      3.28                
 36 LEU  HA     39 PHE  HN      3.43                
 36 LEU  HA     39 PHE  QB      3.92                
 36 LEU  HA     39 PHE  QD      5.88                
 36 LEU  HB2    37 GLU- HN      3.34                
 36 LEU  HB3    37 GLU- HN      3.34                
 36 LEU  QB     36 LEU  HG      2.64                
 36 LEU  QB     37 GLU- HN      3.06                
 36 LEU  QB     40 ILE  QD1     7.41                
 36 LEU  QB     52 ILE  QG2     7.41                
 36 LEU  QB     52 ILE  QD1     7.41                
 36 LEU  QB     53 TYR  QE      8.39                
 36 LEU  HG     40 ILE  QD1     6.53                
 36 LEU  HG     52 ILE  QG2     6.53                
 36 LEU  HG     52 ILE  QD1     6.53                
 36 LEU  HG     53 TYR  QE      7.51                
 36 LEU  QD1    37 GLU- HN      6.53                
 36 LEU  QD1    49 SER  HA      6.53                
 36 LEU  QD1    49 SER  HB2     7.47                
 36 LEU  QD1    49 SER  HB3     7.47                
 36 LEU  QD1    52 ILE  QD1     7.56                
 36 LEU  QD1    53 TYR  QD      8.67                
 36 LEU  QD1    53 TYR  QE      7.82                
 36 LEU  QD2    37 GLU- HN      6.53                
 36 LEU  QD2    49 SER  HA      6.53                
 36 LEU  QD2    49 SER  HB2     7.47                
 36 LEU  QD2    49 SER  HB3     7.47                
 36 LEU  QD2    52 ILE  QD1     7.56                
 36 LEU  QD2    53 TYR  QD      8.67                
 36 LEU  QD2    53 TYR  QE      7.82                
 36 LEU  QQD    39 PHE  HN      8.10                
 36 LEU  QQD    39 PHE  QB      8.98                
 36 LEU  QQD    49 SER  HN      6.58                
 36 LEU  QQD    49 SER  QB      5.54                
 36 LEU  QQD    52 ILE  QG2     9.13                
 36 LEU  O      40 ILE  HN      2.30                
 37 GLU- HN     37 GLU- QB      3.74                
 37 GLU- HN     37 GLU- QG      4.88                
 37 GLU- HN     38 HIS  HN      2.62                
 37 GLU- HA     40 ILE  HN      3.58                
 37 GLU- HA     40 ILE  HB      2.86                
 37 GLU- HA     40 ILE  QG2     5.57                
 37 GLU- HA     40 ILE  QD1     6.53                
 37 GLU- QB     38 HIS  HN      4.16                
 38 HIS  HN     38 HIS  HB2     3.01                
 38 HIS  HN     38 HIS  HB3     3.01                
 38 HIS  HN     39 PHE  HN      2.95                
 38 HIS  HA     38 HIS  HD2     4.87                
 38 HIS  HA     41 SER  HN      3.79                
 38 HIS  HA     41 SER  HB2     4.42                
 38 HIS  HA     41 SER  HB3     4.18                
 38 HIS  HA     42 VAL  HN      5.50                
 38 HIS  HB2    39 PHE  HN      3.70                
 38 HIS  HB3    39 PHE  HN      3.70                
 38 HIS  QB     38 HIS  HD2     3.43                
 38 HIS  QB     39 PHE  HN      3.36                
 38 HIS  HD2    39 PHE  HN      4.15                
 38 HIS  HD2    39 PHE  HA      4.45                
 38 HIS  HD2    39 PHE  QB      6.05                
 38 HIS  HD2    42 VAL  QQG     8.09                
 38 HIS  HE1    42 VAL  QG1     4.95                
 38 HIS  HE1    42 VAL  QG2     4.95                
 38 HIS  HE1    42 VAL  QQG     4.40                
 39 PHE  HN     39 PHE  HB2     3.28                
 39 PHE  HN     39 PHE  HB3     3.28                
 39 PHE  HN     39 PHE  QB      2.91                
 39 PHE  HN     40 ILE  HN      3.97                
 39 PHE  HN     41 SER  HN      4.27                
 39 PHE  HB2    40 ILE  HN      4.21                
 39 PHE  HB3    40 ILE  HN      4.21                
 39 PHE  QB     40 ILE  HN      3.50                
 39 PHE  QD     40 ILE  HN      5.82                
 39 PHE  QD     40 ILE  HA      5.61                
 39 PHE  QD     40 ILE  QD1     8.65                
 39 PHE  QD     49 SER  HA      6.21                
 39 PHE  QD     52 ILE  QD1     8.65                
 39 PHE  QD     70 ILE  QD1     8.65                
 39 PHE  QE     43 THR  QG2     8.65                
 39 PHE  QE     49 SER  HA      5.64                
 39 PHE  QE     51 LEU  QB      6.49                
 39 PHE  QE     52 ILE  QD1     8.65                
 39 PHE  QE     66 VAL  QG2     8.65                
 39 PHE  QE     70 ILE  QD1     7.07                
 39 PHE  HZ     51 LEU  HB2     3.58                
 39 PHE  HZ     51 LEU  HB3     3.58                
 39 PHE  HZ     51 LEU  QB      3.23                
 39 PHE  HZ     51 LEU  QQD     5.25                
 40 ILE  HN     40 ILE  HB      2.80                
 40 ILE  HN     40 ILE  QG2     4.70                
 40 ILE  HN     40 ILE  QD1     4.64                
 40 ILE  HN     41 SER  HN      3.25                
 40 ILE  HA     40 ILE  QD1     3.52                
 40 ILE  HA     43 THR  HN      4.18                
 40 ILE  HB     40 ILE  QD1     3.43                
 40 ILE  HB     41 SER  HN      3.01                
 40 ILE  QG2    41 SER  HN      6.53                
 40 ILE  QG2    48 GLY  QA      7.41                
 40 ILE  QD1    41 SER  HN      5.91                
 40 ILE  QD1    41 SER  HA      6.53                
 40 ILE  QD1    48 GLY  HA1     6.53                
 40 ILE  QD1    48 GLY  HA2     6.53                
 40 ILE  QD1    48 GLY  QA      5.79                
 40 ILE  QD1    49 SER  HN      6.53                
 40 ILE  QD1    49 SER  HA      6.53                
 41 SER  HN     41 SER  HA      2.77                
 41 SER  HN     41 SER  HB2     3.04                
 41 SER  HN     41 SER  HB3     3.04                
 41 SER  HN     42 VAL  HN      3.34                
 41 SER  HN     42 VAL  QG1     6.53                
 41 SER  HN     42 VAL  QG2     6.53                
 41 SER  HN     43 THR  HN      5.50                
 41 SER  HA     41 SER  HB2     2.65                
 41 SER  HB3    42 VAL  HN      3.67                
 42 VAL  HN     42 VAL  HB      3.04                
 42 VAL  HN     42 VAL  QG1     4.73                
 42 VAL  HN     42 VAL  QG2     4.73                
 42 VAL  HN     42 VAL  QQG     4.29                
 42 VAL  HN     43 THR  HN      3.28                
 42 VAL  HB     43 THR  HN      3.64                
 42 VAL  QG1    43 THR  HN      6.53                
 42 VAL  QG2    43 THR  HN      6.53                
 42 VAL  QQG    43 THR  HA      8.09                
 43 THR  HN     43 THR  HB      3.16                
 43 THR  HN     43 THR  QG2     3.89                
 43 THR  HN     44 GLU- HN      5.50                
 43 THR  HA     43 THR  HB      2.80                
 43 THR  HA     43 THR  QG2     3.52                
 43 THR  HB     44 GLU- HN      2.98                
 43 THR  HB     45 HIS  HN      3.16                
 43 THR  HB     45 HIS  HB2     3.07                
 43 THR  HB     45 HIS  HB3     3.07                
 43 THR  HB     45 HIS  QB      2.67                
 43 THR  QG2    73 TRP  HE3     6.53                
 44 GLU- HN     44 GLU- HA      2.62                
 44 GLU- HN     44 GLU- QG      4.73                
 44 GLU- HN     45 HIS  HN      2.50                
 44 GLU- HA     44 GLU- QB      2.72                
 44 GLU- HA     44 GLU- QG      3.98                
 44 GLU- HB2    73 TRP  HZ3     3.79                
 44 GLU- HB2    73 TRP  HH2     4.27                
 44 GLU- HB3    73 TRP  HZ3     3.79                
 44 GLU- HB3    73 TRP  HH2     4.27                
 44 GLU- QB     73 TRP  HZ3     3.31                
 44 GLU- QB     73 TRP  HH2     3.87                
 45 HIS  HN     45 HIS  HB2     3.16                
 45 HIS  HN     45 HIS  HB3     3.16                
 45 HIS  HN     45 HIS  QB      2.96                
 45 HIS  HA     45 HIS  HD2     5.44                
 45 HIS  HB2    70 ILE  QD1     4.26                
 45 HIS  HB3    70 ILE  QD1     4.26                
 45 HIS  QB     45 HIS  HD2     3.40                
 45 HIS  QB     48 GLY  HN      4.49                
 45 HIS  QB     70 ILE  QD1     4.11                
 45 HIS  HD2    46 PRO  QD      5.36                
 45 HIS  HD2    69 GLU- QB      4.76                
 45 HIS  HD2    70 ILE  HN      4.99                
 45 HIS  HD2    70 ILE  HA      2.68                
 45 HIS  HD2    70 ILE  QG2     6.53                
 45 HIS  HD2    70 ILE  QG1     5.36                
 45 HIS  HD2    70 ILE  QD1     5.54                
 45 HIS  HD2    73 TRP  HN      3.94                
 45 HIS  HD2    73 TRP  HA      4.51                
 45 HIS  HD2    73 TRP  HB2     3.07                
 45 HIS  HD2    73 TRP  HB3     2.86                
 45 HIS  HD2    73 TRP  HD1     4.45                
 45 HIS  HD2    73 TRP  HE3     3.82                
 45 HIS  HD2    74 ARG+ HN      5.50                
 45 HIS  HE1    46 PRO  QG      4.97                
 45 HIS  HE1    46 PRO  QD      6.29                
 45 HIS  HE1    47 SER  HN      2.98                
 45 HIS  HE1    47 SER  HA      5.20                
 45 HIS  HE1    47 SER  HB2     3.34                
 45 HIS  HE1    47 SER  HB3     3.34                
 45 HIS  HE1    47 SER  QB      2.97                
 45 HIS  HE1    51 LEU  HG      4.66                
 45 HIS  HE1    51 LEU  QQD     5.77                
 46 PRO  HG2    73 TRP  HE1     3.49                
 46 PRO  HG2    73 TRP  HZ2     3.67                
 46 PRO  HG3    73 TRP  HE1     3.49                
 46 PRO  HG3    73 TRP  HZ2     3.67                
 46 PRO  QG     73 TRP  HZ2     3.37                
 46 PRO  QD     73 TRP  HE1     5.15                
 46 PRO  QD     73 TRP  HZ2     3.92                
 46 PRO  QD     73 TRP  HH2     4.70                
 47 SER  HN     47 SER  HB2     4.09                
 47 SER  HN     47 SER  HB3     4.09                
 47 SER  HN     47 SER  QB      3.64                
 47 SER  HN     48 GLY  HN      2.98                
 47 SER  HA     48 GLY  HN      3.58                
 47 SER  HB2    51 LEU  QD1     8.27                
 47 SER  HB2    51 LEU  QD2     8.27                
 47 SER  HB3    51 LEU  QD1     8.27                
 47 SER  HB3    51 LEU  QD2     8.27                
 47 SER  QB     50 ASP- HN      4.85                
 47 SER  QB     50 ASP- QB      4.61                
 47 SER  QB     51 LEU  HN      4.85                
 47 SER  QB     51 LEU  QQD     5.99                
 48 GLY  HN     48 GLY  HA1     2.80                
 48 GLY  HN     48 GLY  HA2     2.80                
 48 GLY  HN     48 GLY  QA      2.51                
 48 GLY  HN     49 SER  HN      4.48                
 48 GLY  HA1    49 SER  HN      3.01                
 48 GLY  HA2    49 SER  HN      3.01                
 48 GLY  QA     49 SER  HN      2.71                
 49 SER  HN     49 SER  HB2     3.76                
 49 SER  HN     49 SER  HB3     3.76                
 49 SER  HN     49 SER  QB      3.42                
 49 SER  HN     50 ASP- HN      3.25                
 49 SER  HA     51 LEU  HN      3.70                
 49 SER  HA     52 ILE  HN      3.79                
 49 SER  HA     52 ILE  QD1     6.53                
 49 SER  HA     53 TYR  QD      5.63                
 49 SER  HB2    53 TYR  QD      5.84                
 49 SER  HB2    53 TYR  QE      6.34                
 49 SER  HB3    53 TYR  QD      5.84                
 49 SER  HB3    53 TYR  QE      6.34                
 49 SER  QB     53 TYR  QD      5.55                
 49 SER  QB     53 TYR  QE      5.97                
 50 ASP- HN     50 ASP- HB2     3.19                
 50 ASP- HN     50 ASP- HB3     3.19                
 50 ASP- HN     50 ASP- QB      2.98                
 50 ASP- HN     51 LEU  HN      3.04                
 50 ASP- HN     52 ILE  HN      4.36                
 50 ASP- HA     52 ILE  HN      4.75                
 50 ASP- HA     53 TYR  HN      3.25                
 50 ASP- HA     53 TYR  QD      6.68                
 50 ASP- HA     54 TYR  HN      2.92                
 50 ASP- HA     54 TYR  QB      4.19                
 50 ASP- HA     54 TYR  QD      5.21                
 50 ASP- HA     54 TYR  QE      7.03                
 50 ASP- HB2    51 LEU  HN      5.05                
 50 ASP- HB3    51 LEU  HN      5.05                
 50 ASP- QB     54 TYR  QD      6.90                
 50 ASP- O      54 TYR  HN      2.30                
 51 LEU  HN     51 LEU  HB2     3.40                
 51 LEU  HN     51 LEU  HB3     3.40                
 51 LEU  HN     51 LEU  QB      3.06                
 51 LEU  HN     51 LEU  HG      5.50                
 51 LEU  HN     51 LEU  QD1     4.17                
 51 LEU  HN     51 LEU  QD2     4.17                
 51 LEU  HN     51 LEU  QQD     3.61                
 51 LEU  HN     52 ILE  HN      3.16                
 51 LEU  HN     52 ILE  HB      5.38                
 51 LEU  HN     66 VAL  QG1     6.53                
 51 LEU  HA     51 LEU  QD1     4.85                
 51 LEU  HA     51 LEU  QD2     4.85                
 51 LEU  HA     51 LEU  QQD     3.90                
 51 LEU  HA     59 ASN  HD21    3.19                
 51 LEU  HA     59 ASN  HD22    3.19                
 51 LEU  HA     66 VAL  QG2     6.53                
 51 LEU  HB2    52 ILE  HN      4.36                
 51 LEU  HB2    66 VAL  QG1     5.10                
 51 LEU  HB3    52 ILE  HN      4.36                
 51 LEU  HB3    66 VAL  QG1     5.10                
 51 LEU  QB     51 LEU  HG      2.64                
 51 LEU  QB     52 ILE  HN      3.89                
 51 LEU  QB     52 ILE  QG2     7.41                
 51 LEU  QB     59 ASN  QD2     5.74                
 51 LEU  QB     66 VAL  QG1     4.31                
 51 LEU  QB     66 VAL  QG2     5.24                
 51 LEU  QB     70 ILE  QD1     4.83                
 51 LEU  QD1    52 ILE  HN      6.53                
 51 LEU  QD1    59 ASN  HD21    8.71                
 51 LEU  QD1    59 ASN  HD22    8.71                
 51 LEU  QD2    52 ILE  HN      6.53                
 51 LEU  QD2    59 ASN  HD21    8.71                
 51 LEU  QD2    59 ASN  HD22    8.71                
 51 LEU  QQD    59 ASN  QD2     6.85                
 51 LEU  QQD    66 VAL  HA      7.54                
 51 LEU  QQD    66 VAL  QG1     7.67                
 51 LEU  QQD    66 VAL  QG2     9.13                
 51 LEU  QQD    69 GLU- HN      8.10                
 52 ILE  HN     52 ILE  HB      2.65                
 52 ILE  HN     52 ILE  QG1     4.82                
 52 ILE  HN     52 ILE  QD1     6.53                
 52 ILE  HN     53 TYR  HN      2.83                
 52 ILE  HN     54 TYR  HN      4.15                
 52 ILE  HA     52 ILE  HB      2.83                
 52 ILE  HA     52 ILE  QG2     3.61                
 52 ILE  HA     66 VAL  QG1     6.53                
 52 ILE  HA     66 VAL  QG2     3.86                
 52 ILE  HB     52 ILE  QD1     3.43                
 52 ILE  HB     53 TYR  HN      2.86                
 52 ILE  HB     53 TYR  QD      6.02                
 52 ILE  HB     53 TYR  QE      7.48                
 52 ILE  QG2    53 TYR  HN      5.78                
 52 ILE  QG2    53 TYR  HA      6.53                
 52 ILE  QG2    53 TYR  QD      8.67                
 52 ILE  QG2    53 TYR  QE      8.66                
 52 ILE  QG2    66 VAL  QG1     7.56                
 52 ILE  QG2    66 VAL  QG2     7.56                
 52 ILE  QG1    66 VAL  QG1     7.40                
 52 ILE  QG1    66 VAL  QG2     7.40                
 52 ILE  QD1    53 TYR  QE      8.66                
 52 ILE  QD1    66 VAL  QG1     7.56                
 52 ILE  QD1    66 VAL  QG2     7.56                
 53 TYR  HN     53 TYR  HB2     3.40                
 53 TYR  HN     53 TYR  HB3     3.40                
 53 TYR  HN     53 TYR  QB      3.18                
 53 TYR  HN     54 TYR  HN      3.13                
 53 TYR  HA     54 TYR  QD      7.13                
 53 TYR  HB2    54 TYR  QD      6.20                
 53 TYR  HB2    54 TYR  QE      6.85                
 53 TYR  HB3    54 TYR  QD      6.20                
 53 TYR  HB3    54 TYR  QE      6.85                
 53 TYR  QB     54 TYR  QD      6.08                
 53 TYR  QB     54 TYR  QE      6.51                
 53 TYR  QD     54 TYR  HN      6.74                
 54 TYR  HN     54 TYR  QB      3.74                
 54 TYR  HN     54 TYR  QE      7.30                
 54 TYR  HN     55 PRO  HD2     3.88                
 54 TYR  HN     55 PRO  HD3     3.88                
 54 TYR  HN     55 PRO  QD      3.58                
 54 TYR  QD     55 PRO  QD      7.65                
 55 PRO  HA     56 GLU- HN      2.50                
 55 PRO  HA     59 ASN  HD21    3.28                
 55 PRO  HA     59 ASN  HD22    3.28                
 55 PRO  HA     59 ASN  QD2     3.07                
 55 PRO  QB     56 GLU- HN      4.18                
 55 PRO  QG     56 GLU- HN      4.97                
 55 PRO  QG     59 ASN  HD21    4.55                
 55 PRO  QG     59 ASN  HD22    4.55                
 56 GLU- HN     56 GLU- HB2     3.61                
 56 GLU- HN     56 GLU- HB3     3.61                
 56 GLU- HN     56 GLU- QB      3.32                
 56 GLU- HN     56 GLU- QG      3.95                
 56 GLU- HN     57 GLY  HN      5.50                
 56 GLU- HN     59 ASN  HB3     3.13                
 56 GLU- HN     59 ASN  HD21    4.24                
 56 GLU- HN     59 ASN  HD22    4.24                
 56 GLU- HN     59 ASN  QD2     3.61                
 56 GLU- HA     56 GLU- HB2     2.92                
 56 GLU- HA     56 GLU- HB3     2.92                
 56 GLU- HA     57 GLY  HN      2.71                
 56 GLU- HA     57 GLY  QA      5.12                
 56 GLU- HB2    57 GLY  HN      3.19                
 56 GLU- HB3    57 GLY  HN      3.19                
 56 GLU- QG     57 GLY  HN      5.12                
 56 GLU- QG     59 ASN  QD2     6.02                
 57 GLY  HA1    58 ASN  HN      3.31                
 57 GLY  HA1    59 ASN  HN      3.94                
 57 GLY  HA2    58 ASN  HN      3.31                
 57 GLY  HA2    59 ASN  HN      3.94                
 57 GLY  QA     58 ASN  HN      3.01                
 57 GLY  QA     59 ASN  HN      3.65                
 58 ASN  HN     58 ASN  HB2     4.09                
 58 ASN  HN     58 ASN  HB3     4.09                
 58 ASN  HN     58 ASN  QB      3.66                
 58 ASN  HN     59 ASN  HN      3.40                
 58 ASN  HB2    58 ASN  HD21    3.67                
 58 ASN  HB2    58 ASN  HD22    3.67                
 58 ASN  HB3    58 ASN  HD21    3.67                
 58 ASN  HB3    58 ASN  HD22    3.67                
 58 ASN  QB     58 ASN  QD2     2.91                
 59 ASN  HN     59 ASN  HA      2.89                
 59 ASN  HN     59 ASN  HB2     2.65                
 59 ASN  HN     59 ASN  HB3     2.65                
 59 ASN  HN     59 ASN  QD2     5.11                
 59 ASN  HN     60 ASP- HN      5.44                
 59 ASN  HA     59 ASN  HB2     2.83                
 59 ASN  HA     60 ASP- HN      2.53                
 59 ASN  HA     61 GLY  HN      3.40                
 59 ASN  HB2    59 ASN  HD21    3.82                
 59 ASN  HB2    59 ASN  HD22    3.82                
 59 ASN  HB2    59 ASN  QD2     3.22                
 59 ASN  HB2    60 ASP- HN      5.50                
 59 ASN  HB3    59 ASN  HD21    3.49                
 59 ASN  HB3    59 ASN  HD22    3.49                
 59 ASN  HB3    59 ASN  QD2     3.10                
 59 ASN  HD21   66 VAL  QG2     6.53                
 59 ASN  HD22   66 VAL  QG2     6.53                
 59 ASN  QD2    66 VAL  QG2     5.95                
 60 ASP- HN     60 ASP- QB      3.80                
 60 ASP- HN     61 GLY  HN      2.74                
 60 ASP- HN     61 GLY  QA      6.38                
 60 ASP- HN     62 SER  HN      3.64                
 60 ASP- HN     65 ALA  QB      3.46                
 60 ASP- HA     60 ASP- QB      2.72                
 60 ASP- HA     61 GLY  HN      3.64                
 61 GLY  HN     61 GLY  HA1     2.74                
 61 GLY  HN     61 GLY  HA2     2.74                
 61 GLY  HN     61 GLY  QA      2.53                
 61 GLY  HN     62 SER  HN      3.07                
 62 SER  HN     62 SER  HB2     3.25                
 62 SER  HN     62 SER  HB3     3.25                
 62 SER  HN     62 SER  QB      2.83                
 62 SER  HN     65 ALA  HN      3.52                
 62 SER  HA     63 PRO  HD2     3.16                
 62 SER  HA     63 PRO  HD3     3.16                
 62 SER  HA     63 PRO  QD      2.82                
 62 SER  HA     64 GLU- HN      3.97                
 62 SER  HA     65 ALA  HN      5.38                
 62 SER  QB     63 PRO  QD      5.06                
 62 SER  QB     64 GLU- HN      4.22                
 63 PRO  HA     64 GLU- HN      3.34                
 63 PRO  HD2    64 GLU- HN      5.50                
 63 PRO  HD3    64 GLU- HN      5.50                
 63 PRO  QD     64 GLU- HN      4.63                
 63 PRO  O      67 ILE  HN      2.30                
 64 GLU- HN     64 GLU- HA      2.89                
 64 GLU- HN     64 GLU- QB      3.45                
 64 GLU- HN     64 GLU- HG2     3.43                
 64 GLU- HN     64 GLU- HG3     3.43                
 64 GLU- HN     64 GLU- QG      3.12                
 64 GLU- HN     65 ALA  HN      3.07                
 64 GLU- HN     66 VAL  HN      3.82                
 64 GLU- HA     65 ALA  HN      3.52                
 64 GLU- HA     67 ILE  HB      2.80                
 64 GLU- HA     68 LYS+ HN      4.15                
 64 GLU- HB2    65 ALA  HN      3.37                
 64 GLU- HB3    65 ALA  HN      3.37                
 64 GLU- QB     65 ALA  HN      3.19                
 64 GLU- O      68 LYS+ HN      2.30                
 65 ALA  HN     65 ALA  HA      2.86                
 65 ALA  HN     65 ALA  QB      3.43                
 65 ALA  HN     66 VAL  HN      2.89                
 65 ALA  HN     66 VAL  QG2     6.53                
 65 ALA  HA     68 LYS+ HN      3.58                
 65 ALA  HA     68 LYS+ HB2     3.76                
 65 ALA  HA     68 LYS+ HB3     3.76                
 65 ALA  HA     68 LYS+ QB      3.48                
 65 ALA  QB     66 VAL  HN      3.99                
 65 ALA  O      69 GLU- HN      2.30                
 66 VAL  HN     66 VAL  HB      2.71                
 66 VAL  HN     66 VAL  QG2     3.61                
 66 VAL  HN     67 ILE  HN      3.01                
 66 VAL  HA     66 VAL  QG1     3.58                
 66 VAL  HA     66 VAL  QG2     3.52                
 66 VAL  HA     69 GLU- HN      3.46                
 66 VAL  HA     69 GLU- HB2     3.25                
 66 VAL  HA     69 GLU- HB3     3.25                
 66 VAL  HA     69 GLU- QB      2.95                
 66 VAL  HA     69 GLU- QG      4.67                
 66 VAL  HB     67 ILE  HN      2.80                
 66 VAL  HB     70 ILE  QD1     5.29                
 66 VAL  QG1    67 ILE  HN      4.39                
 66 VAL  QG1    67 ILE  HA      4.51                
 66 VAL  O      70 ILE  HN      2.30                
 67 ILE  HN     67 ILE  HB      2.59                
 67 ILE  HN     67 ILE  QG2     4.57                
 67 ILE  HN     67 ILE  QG1     4.04                
 67 ILE  HN     67 ILE  QD1     3.99                
 67 ILE  HN     68 LYS+ HN      3.10                
 67 ILE  HA     67 ILE  HB      3.01                
 67 ILE  HA     67 ILE  QD1     3.55                
 67 ILE  HA     70 ILE  HN      3.22                
 67 ILE  HA     70 ILE  HB      2.80                
 67 ILE  HA     70 ILE  QG1     3.83                
 67 ILE  HA     71 LYS+ HN      3.91                
 67 ILE  HA     82 PHE  QE      6.42                
 67 ILE  HA     82 PHE  HZ      3.79                
 67 ILE  HB     68 LYS+ HN      2.71                
 67 ILE  QG2    82 PHE  QE      8.65                
 67 ILE  QG2    82 PHE  HZ      6.53                
 67 ILE  QD1    68 LYS+ HN      4.76                
 67 ILE  QD1    71 LYS+ HN      6.53                
 67 ILE  QD1    82 PHE  QD      8.65                
 67 ILE  QD1    82 PHE  QE      7.13                
 67 ILE  QD1    82 PHE  HZ      5.85                
 67 ILE  O      71 LYS+ HN      2.30                
 68 LYS+ HN     68 LYS+ HA      2.89                
 68 LYS+ HN     68 LYS+ QB      3.45                
 68 LYS+ HN     68 LYS+ HG2     3.22                
 68 LYS+ HN     68 LYS+ HG3     3.22                
 68 LYS+ HN     68 LYS+ QD      5.00                
 68 LYS+ HN     69 GLU- HN      2.98                
 68 LYS+ HA     68 LYS+ HG2     3.10                
 68 LYS+ HA     68 LYS+ HG3     3.10                
 68 LYS+ HA     68 LYS+ QG      2.81                
 68 LYS+ HA     68 LYS+ QD      4.34                
 68 LYS+ HA     70 ILE  HN      5.50                
 68 LYS+ HA     72 GLU- HN      3.58                
 68 LYS+ HB2    69 GLU- HN      3.40                
 68 LYS+ HB3    69 GLU- HN      3.40                
 68 LYS+ QB     69 GLU- HN      3.05                
 68 LYS+ O      72 GLU- HN      2.30                
 69 GLU- HN     69 GLU- HB2     2.89                
 69 GLU- HN     69 GLU- HB3     2.89                
 69 GLU- HN     69 GLU- QB      2.69                
 69 GLU- HN     69 GLU- QG      3.77                
 69 GLU- HN     70 ILE  HN      3.07                
 69 GLU- HA     72 GLU- HN      3.52                
 69 GLU- HB2    70 ILE  HN      3.49                
 69 GLU- HB3    70 ILE  HN      3.49                
 69 GLU- QB     70 ILE  HN      3.30                
 69 GLU- QG     70 ILE  HN      5.84                
 69 GLU- O      73 TRP  HN      2.30                
 70 ILE  HN     70 ILE  HB      2.59                
 70 ILE  HN     70 ILE  QG2     4.14                
 70 ILE  HN     70 ILE  QG1     3.44                
 70 ILE  HN     70 ILE  QD1     6.53                
 70 ILE  HN     71 LYS+ HN      3.07                
 70 ILE  HN     72 GLU- HN      3.58                
 70 ILE  HA     70 ILE  HG12    3.25                
 70 ILE  HA     70 ILE  HG13    3.25                
 70 ILE  HA     70 ILE  QG1     3.04                
 70 ILE  HA     73 TRP  HN      3.88                
 70 ILE  HA     73 TRP  HB3     3.85                
 70 ILE  HA     74 ARG+ HN      4.69                
 70 ILE  HB     71 LYS+ HN      2.89                
 70 ILE  HB     82 PHE  QE      6.06                
 70 ILE  HB     82 PHE  HZ      3.88                
 70 ILE  QG2    71 LYS+ HN      5.60                
 70 ILE  QG2    74 ARG+ HD2     5.81                
 70 ILE  QG2    74 ARG+ HD3     5.81                
 70 ILE  QG2    74 ARG+ QD      5.05                
 70 ILE  QG2    82 PHE  QE      6.39                
 70 ILE  QG2    82 PHE  HZ      3.64                
 70 ILE  QG1    71 LYS+ HN      5.45                
 70 ILE  QG1    82 PHE  QE      6.94                
 70 ILE  QG1    82 PHE  HZ      4.04                
 70 ILE  O      74 ARG+ HN      2.30                
 71 LYS+ HN     71 LYS+ QB      3.89                
 71 LYS+ HN     71 LYS+ QG      4.22                
 71 LYS+ HN     71 LYS+ QD      3.77                
 71 LYS+ HN     72 GLU- HN      3.07                
 71 LYS+ HN     82 PHE  QE      6.45                
 71 LYS+ HA     71 LYS+ QG      3.38                
 71 LYS+ HA     74 ARG+ HN      3.85                
 71 LYS+ HA     75 ALA  HN      3.97                
 71 LYS+ HA     82 PHE  QD      6.81                
 71 LYS+ HA     82 PHE  QE      6.06                
 71 LYS+ QB     72 GLU- HN      4.19                
 71 LYS+ QG     72 GLU- HN      5.90                
 71 LYS+ QG     82 PHE  QD      6.28                
 71 LYS+ QG     82 PHE  QE      6.55                
 71 LYS+ QD     82 PHE  QE      6.46                
 72 GLU- HN     72 GLU- HA      2.71                
 72 GLU- HN     72 GLU- HB2     2.74                
 72 GLU- HN     72 GLU- HB3     2.74                
 72 GLU- HN     72 GLU- QG      3.86                
 72 GLU- HN     73 TRP  HN      3.25                
 72 GLU- HA     72 GLU- HB2     2.83                
 72 GLU- HA     72 GLU- HB3     2.83                
 72 GLU- HA     72 GLU- QG      3.77                
 72 GLU- HA     75 ALA  HN      3.43                
 72 GLU- HA     75 ALA  QB      4.45                
 72 GLU- QB     73 TRP  HN      3.92                
 72 GLU- QB     75 ALA  QB      7.41                
 73 TRP  HN     73 TRP  HA      2.83                
 73 TRP  HN     73 TRP  HB2     2.89                
 73 TRP  HN     73 TRP  HB3     3.10                
 73 TRP  HN     74 ARG+ HN      3.31                
 73 TRP  HA     73 TRP  HB2     2.71                
 73 TRP  HA     73 TRP  HD1     2.92                
 73 TRP  HA     76 ALA  HN      3.67                
 73 TRP  HA     76 ALA  QB      5.81                
 73 TRP  HA     77 ASN  HN      3.70                
 73 TRP  HA     77 ASN  QD2     4.96                
 73 TRP  HB2    73 TRP  HD1     2.95                
 73 TRP  HB2    74 ARG+ HN      3.97                
 73 TRP  HB3    73 TRP  HE3     2.89                
 73 TRP  HB3    74 ARG+ HN      3.37                
 73 TRP  HD1    76 ALA  QB      6.53                
 73 TRP  HD1    77 ASN  QD2     5.05                
 73 TRP  HE3    74 ARG+ HA      3.25                
 73 TRP  HE3    74 ARG+ QB      4.13                
 73 TRP  HE3    74 ARG+ QG      4.13                
 73 TRP  HE3    74 ARG+ HD2     3.85                
 73 TRP  HE3    74 ARG+ HD3     3.85                
 73 TRP  HE3    74 ARG+ QD      3.37                
 73 TRP  HE1    77 ASN  QD2     5.14                
 73 TRP  HZ3    74 ARG+ HA      4.03                
 73 TRP  HZ3    74 ARG+ QG      4.58                
 73 TRP  HZ3    74 ARG+ QD      4.52                
 73 TRP  HH2    74 ARG+ QD      4.40                
 74 ARG+ HN     74 ARG+ HB2     3.52                
 74 ARG+ HN     74 ARG+ HB3     3.52                
 74 ARG+ HN     74 ARG+ QB      3.03                
 74 ARG+ HN     74 ARG+ HG2     3.19                
 74 ARG+ HN     74 ARG+ HG3     3.19                
 74 ARG+ HN     74 ARG+ QG      2.91                
 74 ARG+ HN     74 ARG+ QD      4.13                
 74 ARG+ HN     75 ALA  HN      3.19                
 74 ARG+ HN     75 ALA  QB      6.53                
 74 ARG+ HN     76 ALA  HN      5.50                
 74 ARG+ HN     76 ALA  QB      6.53                
 74 ARG+ HA     74 ARG+ QG      3.46                
 74 ARG+ HA     74 ARG+ QD      3.74                
 74 ARG+ HA     75 ALA  QB      6.53                
 74 ARG+ HA     77 ASN  HN      3.79                
 74 ARG+ HA     77 ASN  QB      5.00                
 74 ARG+ HB2    75 ALA  HN      3.73                
 74 ARG+ HB3    75 ALA  HN      3.73                
 74 ARG+ QB     75 ALA  HN      3.30                
 75 ALA  HN     75 ALA  HA      2.68                
 75 ALA  HN     75 ALA  QB      3.43                
 75 ALA  HN     76 ALA  HN      2.98                
 75 ALA  HN     76 ALA  QB      6.53                
 75 ALA  HN     77 ASN  HN      4.69                
 75 ALA  HA     78 GLY  HN      3.58                
 75 ALA  HA     79 LYS+ HN      2.92                
 75 ALA  QB     76 ALA  HN      3.64                
 75 ALA  QB     78 GLY  HN      6.53                
 76 ALA  HN     76 ALA  QB      3.43                
 76 ALA  HN     77 ASN  HN      2.74                
 76 ALA  HN     77 ASN  QD2     6.37                
 76 ALA  HN     78 GLY  HN      5.05                
 76 ALA  HA     78 GLY  HN      4.15                
 76 ALA  QB     77 ASN  HN      4.02                
 76 ALA  QB     77 ASN  QD2     6.46                
 76 ALA  QB     78 GLY  HN      6.53                
 77 ASN  HN     77 ASN  HB2     3.28                
 77 ASN  HN     77 ASN  HB3     3.28                
 77 ASN  HN     77 ASN  QB      2.99                
 77 ASN  HN     77 ASN  QD2     4.15                
 77 ASN  HN     78 GLY  HN      3.01                
 77 ASN  HN     78 GLY  QA      5.60                
 77 ASN  HN     79 LYS+ HN      4.27                
 77 ASN  HA     78 GLY  HN      3.55                
 78 GLY  HN     79 LYS+ HN      3.07                
 79 LYS+ HN     79 LYS+ HB2     3.37                
 79 LYS+ HN     79 LYS+ HB3     3.37                
 79 LYS+ HN     79 LYS+ QB      3.03                
 79 LYS+ HN     79 LYS+ HG2     3.13                
 79 LYS+ HN     79 LYS+ HG3     3.13                
 79 LYS+ HN     79 LYS+ QG      2.91                
 79 LYS+ HN     79 LYS+ QD      5.42                
 79 LYS+ HN     79 LYS+ QE      5.06                
 79 LYS+ HN     80 SER  HN      5.35                
 79 LYS+ HA     79 LYS+ QG      3.51                
 79 LYS+ HA     80 SER  HN      2.65                
 79 LYS+ HB2    80 SER  HN      3.82                
 79 LYS+ HB3    80 SER  HN      3.82                
 79 LYS+ QB     79 LYS+ QD      3.62                
 79 LYS+ QB     79 LYS+ QE      5.40                
 79 LYS+ QB     80 SER  HN      3.39                
 79 LYS+ QG     80 SER  HN      6.26                
 80 SER  HN     81 GLY  HN      4.60                
 80 SER  HA     81 GLY  HN      2.50                
 80 SER  QB     81 GLY  HN      4.16                
 81 GLY  HN     82 PHE  HN      4.24                
 81 GLY  HA1    82 PHE  HN      2.74                
 81 GLY  HA2    82 PHE  HN      2.74                
 81 GLY  QA     82 PHE  QD      8.50                
 82 PHE  HN     82 PHE  HB2     3.40                
 82 PHE  HN     82 PHE  HB3     3.40                
 82 PHE  HN     82 PHE  QB      3.02                
 82 PHE  HN     82 PHE  QE      7.17                
 82 PHE  HN     83 LYS+ HN      4.48                
 82 PHE  HA     83 LYS+ HN      2.62                
 82 PHE  HB2    83 LYS+ HN      3.55                
 82 PHE  HB3    83 LYS+ HN      3.55                
 82 PHE  QB     83 LYS+ HN      3.20                
 82 PHE  QD     83 LYS+ HN      5.94                
 82 PHE  QD     83 LYS+ QB      8.50                
 83 LYS+ HN     83 LYS+ HA      2.80                
 83 LYS+ HN     83 LYS+ HB2     2.62                
 83 LYS+ HN     83 LYS+ HB3     2.62                
 83 LYS+ HN     83 LYS+ QB      2.41                
 83 LYS+ HN     83 LYS+ QD      4.88                
 83 LYS+ HN     83 LYS+ QE      5.36                
 83 LYS+ HA     83 LYS+ QB      2.64                
 83 LYS+ HA     84 GLN  HN      2.83                
 83 LYS+ QB     84 GLN  HN      3.92                
 83 LYS+ QE     84 GLN  HN      5.60                
 84 GLN  HN     84 GLN  HB2     2.62                
 84 GLN  HN     84 GLN  HB3     2.62                
 84 GLN  HN     84 GLN  QB      2.41                
 84 GLN  HN     84 GLN  QG      3.92                
 84 GLN  HN     85 GLY  HN      3.43                
 84 GLN  HA     85 GLY  HN      2.50                
 84 GLN  QB     85 GLY  HN      4.46                
 84 GLN  QG     85 GLY  HN      5.54                
  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1          1H        MET   1   5.212   1.937 -10.859
    2    H2   MET   1          2H        MET   1   5.170   2.197  -9.262
    3    H3   MET   1          3H        MET   1   5.435   3.468 -10.259
    4    HA   MET   1           HA       MET   1   7.520   2.800 -10.876
    5   1HB   MET   1          1HB       MET   1   6.938   3.621  -8.334
    6   2HB   MET   1          2HB       MET   1   7.785   2.135  -7.980
    7   1HG   MET   1          1HG       MET   1   8.824   4.441  -9.688
    8   2HG   MET   1          2HG       MET   1   9.254   4.116  -8.020
    9   1HE   MET   1          1HE       MET   1   9.549   2.928 -11.758
   10   2HE   MET   1          2HE       MET   1  10.726   4.188 -11.345
   11   3HE   MET   1          3HE       MET   1  11.283   2.550 -11.758
   12    QB   MET   1           QB       MET   1   7.362   2.878  -8.157
   13    QG   MET   1           QG       MET   1   9.039   4.279  -8.854
   14    ME   MET   1           QE       MET   1  10.519   3.222 -11.620
   15    H    GLU   2           H        GLU   2   9.166   1.167 -11.102
   16    HA   GLU   2           HA       GLU   2   8.184  -1.526 -11.195
   17   1HB   GLU   2          1HB       GLU   2  10.903  -0.295 -11.893
   18   2HB   GLU   2          2HB       GLU   2  10.366  -1.900 -12.404
   19   1HG   GLU   2          1HG       GLU   2   8.684  -0.959 -13.871
   20   2HG   GLU   2          2HG       GLU   2   8.998   0.678 -13.281
   21    QB   GLU   2           QB       GLU   2  10.635  -1.097 -12.149
   22    QG   GLU   2           QG       GLU   2   8.841  -0.140 -13.576
   23    H    LEU   3           H        LEU   3   8.418  -0.676  -8.629
   24    HA   LEU   3           HA       LEU   3  10.626  -1.514  -7.382
   25   1HB   LEU   3          1HB       LEU   3   7.920  -0.755  -6.399
   26   2HB   LEU   3          2HB       LEU   3   9.077  -1.361  -5.224
   27    HG   LEU   3           HG       LEU   3   9.609   0.995  -7.066
   28   1HD1  LEU   3          1HD1      LEU   3   7.689   1.448  -5.562
   29   2HD1  LEU   3          2HD1      LEU   3   8.671   0.990  -4.159
   30   3HD1  LEU   3          3HD1      LEU   3   9.098   2.422  -5.127
   31   1HD2  LEU   3          1HD2      LEU   3  11.018   0.040  -4.527
   32   2HD2  LEU   3          2HD2      LEU   3  11.675  -0.036  -6.182
   33   3HD2  LEU   3          3HD2      LEU   3  11.388   1.528  -5.425
   34    MD1  LEU   3           QD1      LEU   3   8.486   1.620  -4.949
   35    MD2  LEU   3           QD2      LEU   3  11.360   0.511  -5.378
   36    QB   LEU   3           QB       LEU   3   8.499  -1.058  -5.812
   37    QD   LEU   3           QQD      LEU   3   9.923   1.065  -5.164
   38    H    LYS   4           H        LYS   4  10.008  -3.139  -5.223
   39    HA   LYS   4           HA       LYS   4  10.360  -5.808  -5.897
   40   1HB   LYS   4          1HB       LYS   4   8.506  -5.115  -3.667
   41   2HB   LYS   4          2HB       LYS   4   9.600  -6.449  -3.813
   42   1HG   LYS   4          1HG       LYS   4  11.461  -5.240  -3.129
   43   2HG   LYS   4          2HG       LYS   4  10.744  -3.664  -3.516
   44   1HD   LYS   4          1HD       LYS   4   9.302  -3.665  -1.700
   45   2HD   LYS   4          2HD       LYS   4   9.353  -5.412  -1.471
   46   1HE   LYS   4          1HE       LYS   4  11.875  -3.806  -1.073
   47   2HE   LYS   4          2HE       LYS   4  10.609  -3.748   0.155
   48   1HZ   LYS   4          1HZ       LYS   4  11.845  -6.270  -0.783
   49   2HZ   LYS   4          2HZ       LYS   4  12.133  -5.413   0.675
   50   3HZ   LYS   4          3HZ       LYS   4  10.707  -6.107   0.379
   51    QB   LYS   4           QB       LYS   4   9.053  -5.782  -3.740
   52    QD   LYS   4           QD       LYS   4   9.328  -4.538  -1.586
   53    QG   LYS   4           QG       LYS   4  11.103  -4.452  -3.323
   54    QE   LYS   4           QE       LYS   4  11.242  -3.777  -0.459
   55    QZ   LYS   4           QZ       LYS   4  11.562  -5.930   0.090
   56    H    ASN   5           H        ASN   5   9.392  -7.173  -7.102
   57    HA   ASN   5           HA       ASN   5   7.026  -6.269  -8.378
   58   1HB   ASN   5          1HB       ASN   5   8.349  -8.994  -8.674
   59   2HB   ASN   5          2HB       ASN   5   7.242  -8.229  -9.802
   60   1HD2  ASN   5          2HD2      ASN   5   8.859  -5.434  -9.352
   61   2HD2  ASN   5          1HD2      ASN   5  10.170  -5.761 -10.428
   62    QB   ASN   5           QB       ASN   5   7.796  -8.611  -9.238
   63    QD   ASN   5           QD2      ASN   5   9.515  -5.597  -9.890
   64    H    SER   6           H        SER   6   7.133  -7.844  -5.347
   65    HA   SER   6           HA       SER   6   4.280  -8.335  -5.714
   66   1HB   SER   6          1HB       SER   6   6.080 -10.450  -4.524
   67   2HB   SER   6          2HB       SER   6   4.365 -10.474  -4.774
   68    HG   SER   6           HG       SER   6   5.273 -10.044  -7.145
   69    QB   SER   6           QB       SER   6   5.223 -10.462  -4.649
   70    H    ILE   7           H        ILE   7   3.130  -8.352  -3.789
   71    HA   ILE   7           HA       ILE   7   3.950  -6.912  -1.581
   72    HB   ILE   7           HB       ILE   7   1.721  -8.658  -2.412
   73   1HG1  ILE   7          1HG1      ILE   7   1.698  -6.172  -2.441
   74   2HG1  ILE   7          2HG1      ILE   7   0.374  -6.961  -1.608
   75   1HG2  ILE   7          1HG2      ILE   7   2.162  -8.437   0.550
   76   2HG2  ILE   7          2HG2      ILE   7   0.618  -8.845  -0.230
   77   3HG2  ILE   7          3HG2      ILE   7   2.002  -9.919  -0.433
   78   1HD1  ILE   7          1HD1      ILE   7   2.723  -5.605  -0.262
   79   2HD1  ILE   7          2HD1      ILE   7   1.132  -4.881  -0.533
   80   3HD1  ILE   7          3HD1      ILE   7   1.267  -6.290   0.528
   81    MG   ILE   7           QG2      ILE   7   1.594  -9.067  -0.038
   82    MD   ILE   7           QD1      ILE   7   1.707  -5.592  -0.089
   83    QG   ILE   7           QG1      ILE   7   1.036  -6.566  -2.025
   84    H    SER   8           H        SER   8   4.283 -10.464  -2.111
   85    HA   SER   8           HA       SER   8   5.084 -10.808   0.665
   86   1HB   SER   8          1HB       SER   8   4.004 -12.580  -0.806
   87   2HB   SER   8          2HB       SER   8   5.539 -12.705  -1.690
   88    HG   SER   8           HG       SER   8   6.390 -13.021   0.588
   89    QB   SER   8           QB       SER   8   4.772 -12.642  -1.248
   90    H    ASP   9           H        ASP   9   6.868  -9.379  -1.925
   91    HA   ASP   9           HA       ASP   9   9.337 -10.097  -0.490
   92   1HB   ASP   9          1HB       ASP   9   9.605  -9.939  -2.949
   93   2HB   ASP   9          2HB       ASP   9   9.168  -8.239  -2.828
   94    QB   ASP   9           QB       ASP   9   9.387  -9.089  -2.889
   95    H    TYR  10           H        TYR  10   6.771  -7.677  -0.588
   96    HA   TYR  10           HA       TYR  10   8.282  -5.636   0.809
   97   1HB   TYR  10          1HB       TYR  10   5.355  -6.120   0.120
   98   2HB   TYR  10          2HB       TYR  10   5.811  -5.050   1.386
   99    HD1  TYR  10           HD1      TYR  10   6.115  -5.638  -2.348
  100    HD2  TYR  10           HD2      TYR  10   6.560  -2.912   0.957
  101    HE1  TYR  10           HE1      TYR  10   6.698  -3.831  -3.893
  102    HE2  TYR  10           HE2      TYR  10   7.014  -1.054  -0.639
  103    HH   TYR  10           HH       TYR  10   6.776  -1.459  -4.058
  104    QB   TYR  10           QB       TYR  10   5.583  -5.585   0.753
  105    QD   TYR  10           QD       TYR  10   6.338  -4.275  -0.696
  106    QE   TYR  10           QE       TYR  10   6.856  -2.442  -2.266
  107    QR   TYR  10           QR       TYR  10   6.597  -3.359  -1.481
  108    H    THR  11           H        THR  11   7.588  -5.211   3.029
  109    HA   THR  11           HA       THR  11   6.888  -7.291   4.852
  110    HB   THR  11           HB       THR  11   8.251  -5.879   6.471
  111    HG1  THR  11           HG1      THR  11   9.455  -4.827   4.158
  112   1HG2  THR  11          1HG2      THR  11   9.781  -7.120   4.153
  113   2HG2  THR  11          2HG2      THR  11  10.587  -6.394   5.556
  114   3HG2  THR  11          3HG2      THR  11   9.487  -7.758   5.800
  115    MG   THR  11           QG2      THR  11   9.952  -7.091   5.170
  116    H    GLU  12           H        GLU  12   5.855  -6.176   6.539
  117    HA   GLU  12           HA       GLU  12   3.827  -4.320   5.535
  118   1HB   GLU  12          1HB       GLU  12   2.872  -4.211   7.668
  119   2HB   GLU  12          2HB       GLU  12   3.501  -5.832   7.486
  120   1HG   GLU  12          1HG       GLU  12   4.174  -5.419   9.610
  121   2HG   GLU  12          2HG       GLU  12   5.618  -4.886   8.749
  122    QB   GLU  12           QB       GLU  12   3.187  -5.021   7.577
  123    QG   GLU  12           QG       GLU  12   4.896  -5.152   9.179
  124    H    THR  13           H        THR  13   6.936  -3.697   7.204
  125    HA   THR  13           HA       THR  13   6.307  -0.952   7.544
  126    HB   THR  13           HB       THR  13   9.124  -2.077   7.704
  127    HG1  THR  13           HG1      THR  13   6.933  -2.732   9.379
  128   1HG2  THR  13          1HG2      THR  13   8.690   0.272   8.398
  129   2HG2  THR  13          2HG2      THR  13   7.496  -0.307   9.582
  130   3HG2  THR  13          3HG2      THR  13   9.211  -0.738   9.762
  131    MG   THR  13           QG2      THR  13   8.466  -0.258   9.247
  132    H    GLU  14           H        GLU  14   8.364  -2.750   5.044
  133    HA   GLU  14           HA       GLU  14   9.328  -0.409   3.747
  134   1HB   GLU  14          1HB       GLU  14   8.558  -3.179   2.733
  135   2HB   GLU  14          2HB       GLU  14   9.404  -1.974   1.758
  136   1HG   GLU  14          1HG       GLU  14  11.285  -1.951   3.239
  137   2HG   GLU  14          2HG       GLU  14  10.543  -2.942   4.422
  138    QB   GLU  14           QB       GLU  14   8.981  -2.576   2.245
  139    QG   GLU  14           QG       GLU  14  10.914  -2.446   3.830
  140    H    PHE  15           H        PHE  15   6.232  -2.264   3.520
  141    HA   PHE  15           HA       PHE  15   5.251  -0.658   1.366
  142   1HB   PHE  15          1HB       PHE  15   4.399  -2.961   2.251
  143   2HB   PHE  15          2HB       PHE  15   3.458  -2.010   3.391
  144    HD1  PHE  15           HD1      PHE  15   4.319  -1.834  -0.322
  145    HD2  PHE  15           HD2      PHE  15   1.211  -1.734   2.665
  146    HE1  PHE  15           HE1      PHE  15   2.616  -1.726  -2.084
  147    HE2  PHE  15           HE2      PHE  15  -0.480  -1.676   0.876
  148    HZ   PHE  15           HZ       PHE  15   0.215  -1.861  -1.509
  149    QB   PHE  15           QB       PHE  15   3.929  -2.485   2.821
  150    QD   PHE  15           QD       PHE  15   2.765  -1.784   1.171
  151    QE   PHE  15           QE       PHE  15   1.068  -1.701  -0.604
  152    QR   PHE  15           QR       PHE  15   1.576  -1.766  -0.075
  153    H    LYS  16           H        LYS  16   5.090  -0.287   4.977
  154    HA   LYS  16           HA       LYS  16   3.505   2.113   5.051
  155   1HB   LYS  16          1HB       LYS  16   5.198   0.493   6.755
  156   2HB   LYS  16          2HB       LYS  16   6.030   1.998   6.690
  157   1HG   LYS  16          1HG       LYS  16   4.667   2.103   8.631
  158   2HG   LYS  16          2HG       LYS  16   3.767   3.048   7.426
  159   1HD   LYS  16          1HD       LYS  16   2.152   1.572   8.311
  160   2HD   LYS  16          2HD       LYS  16   2.637   0.835   6.795
  161   1HE   LYS  16          1HE       LYS  16   2.402  -0.915   8.324
  162   2HE   LYS  16          2HE       LYS  16   4.122  -0.744   8.029
  163   1HZ   LYS  16          1HZ       LYS  16   2.670   0.246  10.421
  164   2HZ   LYS  16          2HZ       LYS  16   3.514  -1.168  10.280
  165   3HZ   LYS  16          3HZ       LYS  16   4.312   0.268  10.193
  166    QB   LYS  16           QB       LYS  16   5.614   1.246   6.722
  167    QD   LYS  16           QD       LYS  16   2.395   1.204   7.553
  168    QG   LYS  16           QG       LYS  16   4.217   2.576   8.028
  169    QE   LYS  16           QE       LYS  16   3.262  -0.829   8.176
  170    QZ   LYS  16           QZ       LYS  16   3.499  -0.218  10.298
  171    H    LYS  17           H        LYS  17   7.286   1.948   4.480
  172    HA   LYS  17           HA       LYS  17   7.226   4.656   4.255
  173   1HB   LYS  17          1HB       LYS  17   9.191   2.934   4.266
  174   2HB   LYS  17          2HB       LYS  17   9.045   2.969   2.504
  175   1HG   LYS  17          1HG       LYS  17   8.995   5.694   3.686
  176   2HG   LYS  17          2HG       LYS  17  10.366   4.760   4.248
  177   1HD   LYS  17          1HD       LYS  17  11.213   5.860   2.412
  178   2HD   LYS  17          2HD       LYS  17  10.889   4.229   1.831
  179   1HE   LYS  17          1HE       LYS  17  10.304   5.782   0.087
  180   2HE   LYS  17          2HE       LYS  17   8.811   5.076   0.706
  181   1HZ   LYS  17          1HZ       LYS  17   9.803   7.834   1.309
  182   2HZ   LYS  17          2HZ       LYS  17   8.676   7.427   0.280
  183   3HZ   LYS  17          3HZ       LYS  17   8.379   7.129   1.862
  184    QB   LYS  17           QB       LYS  17   9.118   2.952   3.385
  185    QD   LYS  17           QD       LYS  17  11.051   5.045   2.121
  186    QG   LYS  17           QG       LYS  17   9.681   5.227   3.967
  187    QE   LYS  17           QE       LYS  17   9.558   5.429   0.396
  188    QZ   LYS  17           QZ       LYS  17   8.953   7.463   1.150
  189    H    ILE  18           H        ILE  18   6.204   2.336   1.710
  190    HA   ILE  18           HA       ILE  18   6.066   4.399  -0.341
  191    HB   ILE  18           HB       ILE  18   5.961   1.723  -0.385
  192   1HG1  ILE  18          1HG1      ILE  18   5.220   3.968  -2.314
  193   2HG1  ILE  18          2HG1      ILE  18   6.769   3.144  -2.142
  194   1HG2  ILE  18          1HG2      ILE  18   3.637   1.344   0.160
  195   2HG2  ILE  18          2HG2      ILE  18   3.132   2.386  -1.173
  196   3HG2  ILE  18          3HG2      ILE  18   3.984   0.861  -1.459
  197   1HD1  ILE  18          1HD1      ILE  18   5.732   1.123  -3.129
  198   2HD1  ILE  18          2HD1      ILE  18   4.228   2.049  -3.386
  199   3HD1  ILE  18          3HD1      ILE  18   5.701   2.559  -4.213
  200    MG   ILE  18           QG2      ILE  18   3.584   1.530  -0.824
  201    MD   ILE  18           QD1      ILE  18   5.220   1.910  -3.576
  202    QG   ILE  18           QG1      ILE  18   5.995   3.556  -2.228
  203    H    ILE  19           H        ILE  19   3.775   2.953   1.828
  204    HA   ILE  19           HA       ILE  19   1.518   4.418   0.949
  205    HB   ILE  19           HB       ILE  19   2.164   2.808   3.444
  206   1HG1  ILE  19          1HG1      ILE  19   2.073   1.293   1.617
  207   2HG1  ILE  19          2HG1      ILE  19   0.551   1.124   2.413
  208   1HG2  ILE  19          1HG2      ILE  19   0.286   4.322   3.942
  209   2HG2  ILE  19          2HG2      ILE  19  -0.663   3.482   2.700
  210   3HG2  ILE  19          3HG2      ILE  19  -0.035   2.586   4.113
  211   1HD1  ILE  19          1HD1      ILE  19   1.034   2.676  -0.164
  212   2HD1  ILE  19          2HD1      ILE  19   0.361   1.068   0.029
  213   3HD1  ILE  19          3HD1      ILE  19  -0.540   2.469   0.648
  214    MG   ILE  19           QG2      ILE  19  -0.137   3.463   3.585
  215    MD   ILE  19           QD1      ILE  19   0.285   2.071   0.171
  216    QG   ILE  19           QG1      ILE  19   1.312   1.209   2.015
  217    H    GLU  20           H        GLU  20   3.890   5.135   3.543
  218    HA   GLU  20           HA       GLU  20   2.724   7.482   4.517
  219   1HB   GLU  20          1HB       GLU  20   4.476   5.699   5.350
  220   2HB   GLU  20          2HB       GLU  20   5.656   6.680   4.479
  221   1HG   GLU  20          1HG       GLU  20   4.264   8.520   5.979
  222   2HG   GLU  20          2HG       GLU  20   4.161   7.078   6.992
  223    QB   GLU  20           QB       GLU  20   5.066   6.190   4.914
  224    QG   GLU  20           QG       GLU  20   4.213   7.799   6.485
  225    H    ASP  21           H        ASP  21   5.118   6.634   2.058
  226    HA   ASP  21           HA       ASP  21   6.303   9.006   1.266
  227   1HB   ASP  21          1HB       ASP  21   6.463   6.676   0.062
  228   2HB   ASP  21          2HB       ASP  21   5.082   7.198  -0.876
  229    QB   ASP  21           QB       ASP  21   5.773   6.937  -0.407
  230    H    ILE  22           H        ILE  22   3.278   7.732   0.111
  231    HA   ILE  22           HA       ILE  22   2.435  10.010  -1.360
  232    HB   ILE  22           HB       ILE  22   0.277   8.751  -1.334
  233   1HG1  ILE  22          1HG1      ILE  22   1.746   6.725   0.233
  234   2HG1  ILE  22          2HG1      ILE  22   0.133   7.428   0.508
  235   1HG2  ILE  22          1HG2      ILE  22   2.585   8.440  -2.815
  236   2HG2  ILE  22          2HG2      ILE  22   2.600   6.874  -2.045
  237   3HG2  ILE  22          3HG2      ILE  22   1.211   7.336  -3.070
  238   1HD1  ILE  22          1HD1      ILE  22  -0.551   6.128  -1.616
  239   2HD1  ILE  22          2HD1      ILE  22   0.990   5.248  -1.346
  240   3HD1  ILE  22          3HD1      ILE  22  -0.229   5.214  -0.115
  241    MG   ILE  22           QG2      ILE  22   2.132   7.550  -2.643
  242    MD   ILE  22           QD1      ILE  22   0.070   5.530  -1.026
  243    QG   ILE  22           QG1      ILE  22   0.940   7.077   0.370
  244    H    ILE  23           H        ILE  23   1.070   8.661   1.584
  245    HA   ILE  23           HA       ILE  23  -0.729  10.699   2.184
  246    HB   ILE  23           HB       ILE  23   0.849   8.932   4.065
  247   1HG1  ILE  23          1HG1      ILE  23  -2.104   8.916   3.215
  248   2HG1  ILE  23          2HG1      ILE  23  -0.865   7.959   2.429
  249   1HG2  ILE  23          1HG2      ILE  23  -1.500  10.735   4.814
  250   2HG2  ILE  23          2HG2      ILE  23  -0.786   9.492   5.861
  251   3HG2  ILE  23          3HG2      ILE  23   0.169  10.895   5.405
  252   1HD1  ILE  23          1HD1      ILE  23  -0.408   6.827   4.651
  253   2HD1  ILE  23          2HD1      ILE  23  -1.875   7.629   5.266
  254   3HD1  ILE  23          3HD1      ILE  23  -1.989   6.497   3.915
  255    MG   ILE  23           QG2      ILE  23  -0.706  10.374   5.360
  256    MD   ILE  23           QD1      ILE  23  -1.424   6.984   4.611
  257    QG   ILE  23           QG1      ILE  23  -1.484   8.438   2.822
  258    H    ASN  24           H        ASN  24   2.894  10.945   2.962
  259    HA   ASN  24           HA       ASN  24   2.776  13.478   4.203
  260   1HB   ASN  24          1HB       ASN  24   4.678  11.515   2.813
  261   2HB   ASN  24          2HB       ASN  24   5.183  13.056   3.166
  262   1HD2  ASN  24          2HD2      ASN  24   4.936  10.092   4.264
  263   2HD2  ASN  24          1HD2      ASN  24   5.732  10.353   5.809
  264    QB   ASN  24           QB       ASN  24   4.931  12.286   2.989
  265    QD   ASN  24           QD2      ASN  24   5.334  10.223   5.036
  266    H    CYS  25           H        CYS  25   3.711  12.097   1.196
  267    HA   CYS  25           HA       CYS  25   3.606  12.629  -1.009
  268   1HB   CYS  25          1HB       CYS  25   1.777  14.361  -0.558
  269   2HB   CYS  25          2HB       CYS  25   3.086  15.555  -0.467
  270    HG   CYS  25           HG       CYS  25   2.040  15.723  -2.811
  271    QB   CYS  25           QB       CYS  25   2.432  14.958  -0.513
  272    H    GLU  26           H        GLU  26   5.812  11.935  -0.212
  273    HA   GLU  26           HA       GLU  26   7.881  13.735  -0.088
  274   1HB   GLU  26          1HB       GLU  26   7.718  11.350   0.806
  275   2HB   GLU  26          2HB       GLU  26   7.804  10.801  -0.863
  276   1HG   GLU  26          1HG       GLU  26  10.008  12.227  -0.931
  277   2HG   GLU  26          2HG       GLU  26   9.898  12.125   0.825
  278    QB   GLU  26           QB       GLU  26   7.761  11.076  -0.029
  279    QG   GLU  26           QG       GLU  26   9.953  12.176  -0.053
  280    H    GLY  27           H        GLY  27   6.651  14.865  -2.081
  281   1HA   GLY  27          2HA       GLY  27   6.453  13.397  -4.466
  282   2HA   GLY  27          1HA       GLY  27   7.876  14.428  -4.645
  283    QA   GLY  27           QA       GLY  27   7.165  13.913  -4.556
  284    H    ASP  28           H        ASP  28   5.418  14.362  -6.127
  285    HA   ASP  28           HA       ASP  28   4.534  17.203  -6.010
  286   1HB   ASP  28          1HB       ASP  28   6.749  17.096  -7.037
  287   2HB   ASP  28          2HB       ASP  28   6.231  15.775  -8.090
  288    QB   ASP  28           QB       ASP  28   6.490  16.436  -7.564
  289    H    GLU  29           H        GLU  29   3.002  14.763  -5.700
  290    HA   GLU  29           HA       GLU  29   0.856  13.966  -6.171
  291   1HB   GLU  29          1HB       GLU  29   0.922  15.334  -8.865
  292   2HB   GLU  29          2HB       GLU  29  -0.469  14.847  -7.923
  293   1HG   GLU  29          1HG       GLU  29  -0.430  16.810  -6.621
  294   2HG   GLU  29          2HG       GLU  29   1.250  17.172  -6.987
  295    QB   GLU  29           QB       GLU  29   0.227  15.091  -8.394
  296    QG   GLU  29           QG       GLU  29   0.410  16.991  -6.804
  297    H    LYS  30           H        LYS  30   2.903  14.298  -8.833
  298    HA   LYS  30           HA       LYS  30   2.243  12.027 -10.317
  299   1HB   LYS  30          1HB       LYS  30   4.818  13.703 -10.128
  300   2HB   LYS  30          2HB       LYS  30   4.395  12.684 -11.498
  301   1HG   LYS  30          1HG       LYS  30   2.362  14.073 -11.883
  302   2HG   LYS  30          2HG       LYS  30   2.604  14.979 -10.490
  303   1HD   LYS  30          1HD       LYS  30   4.904  15.729 -11.527
  304   2HD   LYS  30          2HD       LYS  30   4.101  15.273 -13.037
  305   1HE   LYS  30          1HE       LYS  30   3.598  17.610 -12.696
  306   2HE   LYS  30          2HE       LYS  30   2.119  16.719 -12.277
  307   1HZ   LYS  30          1HZ       LYS  30   2.957  16.882  -9.919
  308   2HZ   LYS  30          2HZ       LYS  30   4.038  17.966 -10.369
  309   3HZ   LYS  30          3HZ       LYS  30   2.356  18.195 -10.493
  310    QB   LYS  30           QB       LYS  30   4.607  13.194 -10.813
  311    QD   LYS  30           QD       LYS  30   4.503  15.501 -12.282
  312    QG   LYS  30           QG       LYS  30   2.483  14.526 -11.187
  313    QE   LYS  30           QE       LYS  30   2.859  17.165 -12.487
  314    QZ   LYS  30           QZ       LYS  30   3.117  17.681 -10.260
  315    H    LYS  31           H        LYS  31   4.732  12.468  -7.918
  316    HA   LYS  31           HA       LYS  31   5.787   9.915  -7.860
  317   1HB   LYS  31          1HB       LYS  31   6.322  12.327  -6.775
  318   2HB   LYS  31          2HB       LYS  31   5.437  11.658  -5.434
  319   1HG   LYS  31          1HG       LYS  31   7.953  10.622  -6.816
  320   2HG   LYS  31          2HG       LYS  31   7.864  11.437  -5.256
  321   1HD   LYS  31          1HD       LYS  31   6.435   9.369  -4.497
  322   2HD   LYS  31          2HD       LYS  31   7.023   8.605  -5.973
  323   1HE   LYS  31          1HE       LYS  31   8.522   7.902  -4.287
  324   2HE   LYS  31          2HE       LYS  31   9.407   9.152  -5.183
  325   1HZ   LYS  31          1HZ       LYS  31   8.707  10.699  -3.323
  326   2HZ   LYS  31          2HZ       LYS  31   8.006   9.420  -2.601
  327   3HZ   LYS  31          3HZ       LYS  31   9.603   9.447  -2.726
  328    QB   LYS  31           QB       LYS  31   5.880  11.993  -6.105
  329    QD   LYS  31           QD       LYS  31   6.729   8.987  -5.235
  330    QG   LYS  31           QG       LYS  31   7.909  11.030  -6.036
  331    QE   LYS  31           QE       LYS  31   8.965   8.527  -4.735
  332    QZ   LYS  31           QZ       LYS  31   8.772   9.855  -2.883
  333    H    GLN  32           H        GLN  32   2.793  11.319  -6.249
  334    HA   GLN  32           HA       GLN  32   2.249   8.910  -4.811
  335   1HB   GLN  32          1HB       GLN  32   0.079  10.805  -5.748
  336   2HB   GLN  32          2HB       GLN  32   0.116   9.764  -4.342
  337   1HG   GLN  32          1HG       GLN  32   1.888  11.276  -3.360
  338   2HG   GLN  32          2HG       GLN  32   1.643  12.364  -4.719
  339   1HE2  GLN  32          2HE2      GLN  32   0.719  12.243  -1.504
  340   2HE2  GLN  32          1HE2      GLN  32  -0.853  12.948  -1.730
  341    QB   GLN  32           QB       GLN  32   0.098  10.285  -5.045
  342    QG   GLN  32           QG       GLN  32   1.766  11.820  -4.040
  343    QE   GLN  32           QE2      GLN  32  -0.067  12.596  -1.617
  344    H    ASP  33           H        ASP  33   1.123  10.261  -7.969
  345    HA   ASP  33           HA       ASP  33  -0.473   8.042  -8.753
  346   1HB   ASP  33          1HB       ASP  33   0.029  10.261 -10.017
  347   2HB   ASP  33          2HB       ASP  33   1.429   9.417 -10.685
  348    QB   ASP  33           QB       ASP  33   0.729   9.839 -10.351
  349    H    ASP  34           H        ASP  34   2.990   8.401  -9.181
  350    HA   ASP  34           HA       ASP  34   3.482   5.966 -10.487
  351   1HB   ASP  34          1HB       ASP  34   5.149   7.692 -10.522
  352   2HB   ASP  34          2HB       ASP  34   5.272   7.715  -8.766
  353    QB   ASP  34           QB       ASP  34   5.211   7.704  -9.644
  354    H    ASN  35           H        ASN  35   3.571   6.755  -7.030
  355    HA   ASN  35           HA       ASN  35   3.891   4.022  -5.993
  356   1HB   ASN  35          1HB       ASN  35   4.035   5.737  -4.285
  357   2HB   ASN  35          2HB       ASN  35   2.608   6.550  -4.864
  358   1HD2  ASN  35          2HD2      ASN  35   0.455   5.556  -4.492
  359   2HD2  ASN  35          1HD2      ASN  35   0.313   4.388  -3.176
  360    QB   ASN  35           QB       ASN  35   3.322   6.144  -4.575
  361    QD   ASN  35           QD2      ASN  35   0.384   4.972  -3.834
  362    H    LEU  36           H        LEU  36   0.974   5.877  -7.145
  363    HA   LEU  36           HA       LEU  36  -0.646   4.021  -5.901
  364   1HB   LEU  36          1HB       LEU  36  -0.883   6.442  -7.564
  365   2HB   LEU  36          2HB       LEU  36  -2.259   5.471  -7.670
  366    HG   LEU  36           HG       LEU  36  -0.948   6.580  -5.172
  367   1HD1  LEU  36          1HD1      LEU  36  -2.152   8.241  -6.522
  368   2HD1  LEU  36          2HD1      LEU  36  -3.622   7.253  -6.461
  369   3HD1  LEU  36          3HD1      LEU  36  -2.962   7.983  -4.975
  370   1HD2  LEU  36          1HD2      LEU  36  -3.253   4.670  -5.326
  371   2HD2  LEU  36          2HD2      LEU  36  -1.851   4.662  -4.253
  372   3HD2  LEU  36          3HD2      LEU  36  -3.122   5.840  -3.981
  373    MD1  LEU  36           QD1      LEU  36  -2.912   7.826  -5.986
  374    MD2  LEU  36           QD2      LEU  36  -2.742   5.057  -4.520
  375    QB   LEU  36           QB       LEU  36  -1.571   5.957  -7.617
  376    QD   LEU  36           QQD      LEU  36  -2.827   6.442  -5.253
  377    H    GLU  37           H        GLU  37   0.486   4.123  -9.074
  378    HA   GLU  37           HA       GLU  37  -0.883   1.730 -10.112
  379   1HB   GLU  37          1HB       GLU  37   0.425   3.109 -11.643
  380   2HB   GLU  37          2HB       GLU  37   1.885   2.947 -10.679
  381   1HG   GLU  37          1HG       GLU  37   0.530   0.562 -12.014
  382   2HG   GLU  37          2HG       GLU  37   1.682   1.582 -12.862
  383    QB   GLU  37           QB       GLU  37   1.155   3.028 -11.161
  384    QG   GLU  37           QG       GLU  37   1.106   1.072 -12.438
  385    H    HIS  38           H        HIS  38   2.203   2.182  -8.364
  386    HA   HIS  38           HA       HIS  38   2.787  -0.562  -8.210
  387   1HB   HIS  38          1HB       HIS  38   4.345   1.374  -7.753
  388   2HB   HIS  38          2HB       HIS  38   3.658   1.458  -6.123
  389    HD1  HIS  38           HD1      HIS  38   5.384  -1.128  -8.416
  390    HD2  HIS  38           HD2      HIS  38   4.479  -0.313  -4.369
  391    HE1  HIS  38           HE1      HIS  38   6.383  -3.053  -7.031
  392    QB   HIS  38           QB       HIS  38   4.002   1.416  -6.938
  393    H    PHE  39           H        PHE  39   1.089   1.475  -5.903
  394    HA   PHE  39           HA       PHE  39   0.369  -0.405  -3.885
  395   1HB   PHE  39          1HB       PHE  39   0.308   2.038  -3.668
  396   2HB   PHE  39          2HB       PHE  39  -0.958   2.142  -4.883
  397    HD1  PHE  39           HD1      PHE  39  -3.054   2.744  -3.924
  398    HD2  PHE  39           HD2      PHE  39  -0.406   0.140  -1.791
  399    HE1  PHE  39           HE1      PHE  39  -4.617   2.701  -1.972
  400    HE2  PHE  39           HE2      PHE  39  -2.025   0.006   0.099
  401    HZ   PHE  39           HZ       PHE  39  -4.198   1.252  -0.074
  402    QB   PHE  39           QB       PHE  39  -0.325   2.090  -4.276
  403    QD   PHE  39           QD       PHE  39  -1.730   1.442  -2.858
  404    QE   PHE  39           QE       PHE  39  -3.321   1.354  -0.937
  405    QR   PHE  39           QR       PHE  39  -2.860   1.369  -1.532
  406    H    ILE  40           H        ILE  40  -1.087   0.053  -7.109
  407    HA   ILE  40           HA       ILE  40  -3.216  -1.913  -6.438
  408    HB   ILE  40           HB       ILE  40  -2.283  -0.638  -9.060
  409   1HG1  ILE  40          1HG1      ILE  40  -4.853  -0.409  -9.260
  410   2HG1  ILE  40          2HG1      ILE  40  -4.943  -0.913  -7.565
  411   1HG2  ILE  40          1HG2      ILE  40  -4.055  -3.123  -8.855
  412   2HG2  ILE  40          2HG2      ILE  40  -3.850  -2.115 -10.308
  413   3HG2  ILE  40          3HG2      ILE  40  -2.481  -3.010  -9.682
  414   1HD1  ILE  40          1HD1      ILE  40  -3.283   1.375  -8.668
  415   2HD1  ILE  40          2HD1      ILE  40  -4.887   1.565  -7.931
  416   3HD1  ILE  40          3HD1      ILE  40  -3.531   0.991  -6.937
  417    MG   ILE  40           QG2      ILE  40  -3.462  -2.749  -9.615
  418    MD   ILE  40           QD1      ILE  40  -3.900   1.310  -7.845
  419    QG   ILE  40           QG1      ILE  40  -4.898  -0.661  -8.413
  420    H    SER  41           H        SER  41  -0.060  -1.763  -8.068
  421    HA   SER  41           HA       SER  41  -0.229  -4.015  -9.292
  422   1HB   SER  41          1HB       SER  41   1.548  -1.968  -9.030
  423   2HB   SER  41          2HB       SER  41   2.577  -3.318  -8.612
  424    HG   SER  41           HG       SER  41   2.057  -2.401 -10.896
  425    QB   SER  41           QB       SER  41   2.063  -2.643  -8.821
  426    H    VAL  42           H        VAL  42   1.903  -3.754  -6.111
  427    HA   VAL  42           HA       VAL  42   2.599  -6.382  -5.975
  428    HB   VAL  42           HB       VAL  42   3.130  -5.619  -3.884
  429   1HG1  VAL  42          1HG1      VAL  42   4.610  -5.746  -5.749
  430   2HG1  VAL  42          2HG1      VAL  42   4.120  -4.102  -6.239
  431   3HG1  VAL  42          3HG1      VAL  42   4.980  -4.372  -4.720
  432   1HG2  VAL  42          1HG2      VAL  42   1.649  -3.621  -3.524
  433   2HG2  VAL  42          2HG2      VAL  42   3.370  -3.529  -3.095
  434   3HG2  VAL  42          3HG2      VAL  42   2.824  -2.776  -4.577
  435    MG1  VAL  42           QG1      VAL  42   4.570  -4.740  -5.569
  436    MG2  VAL  42           QG2      VAL  42   2.614  -3.309  -3.732
  437    QG   VAL  42           QQG      VAL  42   3.592  -4.024  -4.651
  438    H    THR  43           H        THR  43  -0.234  -4.446  -4.788
  439    HA   THR  43           HA       THR  43  -0.963  -6.200  -2.818
  440    HB   THR  43           HB       THR  43  -2.751  -4.123  -3.740
  441    HG1  THR  43           HG1      THR  43  -1.356  -2.534  -3.649
  442   1HG2  THR  43          1HG2      THR  43  -2.826  -5.280  -1.513
  443   2HG2  THR  43          2HG2      THR  43  -1.255  -4.521  -1.145
  444   3HG2  THR  43          3HG2      THR  43  -2.692  -3.499  -1.428
  445    MG   THR  43           QG2      THR  43  -2.258  -4.433  -1.362
  446    H    GLU  44           H        GLU  44  -2.281  -5.661  -6.079
  447    HA   GLU  44           HA       GLU  44  -3.907  -6.750  -7.257
  448   1HB   GLU  44          1HB       GLU  44  -2.813  -8.835  -5.994
  449   2HB   GLU  44          2HB       GLU  44  -4.311  -8.772  -5.076
  450   1HG   GLU  44          1HG       GLU  44  -5.534  -9.045  -7.297
  451   2HG   GLU  44          2HG       GLU  44  -3.951  -9.471  -7.979
  452    QB   GLU  44           QB       GLU  44  -3.562  -8.803  -5.535
  453    QG   GLU  44           QG       GLU  44  -4.742  -9.258  -7.638
  454    H    HIS  45           H        HIS  45  -4.188  -5.133  -4.442
  455    HA   HIS  45           HA       HIS  45  -6.765  -5.922  -3.457
  456   1HB   HIS  45          1HB       HIS  45  -5.061  -5.128  -1.915
  457   2HB   HIS  45          2HB       HIS  45  -5.066  -3.532  -2.681
  458    HD1  HIS  45           HD1      HIS  45  -7.786  -2.525  -2.736
  459    HD2  HIS  45           HD2      HIS  45  -6.556  -5.034   0.474
  460    HE1  HIS  45           HE1      HIS  45  -9.603  -2.425  -0.968
  461    QB   HIS  45           QB       HIS  45  -5.063  -4.330  -2.298
  462    HA   PRO  46           HA       PRO  46  -8.503  -4.039  -7.007
  463   1HB   PRO  46          1HB       PRO  46 -11.249  -4.110  -6.301
  464   2HB   PRO  46          2HB       PRO  46 -10.279  -5.428  -7.019
  465   1HG   PRO  46          1HG       PRO  46 -10.920  -4.990  -4.074
  466   2HG   PRO  46          2HG       PRO  46 -10.890  -6.506  -5.001
  467   1HD   PRO  46          1HD       PRO  46  -8.880  -5.723  -3.407
  468   2HD   PRO  46          2HD       PRO  46  -8.542  -6.526  -4.989
  469    QB   PRO  46           QB       PRO  46 -10.764  -4.769  -6.660
  470    QG   PRO  46           QG       PRO  46 -10.905  -5.748  -4.538
  471    QD   PRO  46           QD       PRO  46  -8.711  -6.124  -4.198
  472    H    SER  47           H        SER  47  -9.634  -2.559  -3.928
  473    HA   SER  47           HA       SER  47 -10.672  -0.173  -4.841
  474   1HB   SER  47          1HB       SER  47  -8.955  -0.920  -2.448
  475   2HB   SER  47          2HB       SER  47  -9.729   0.612  -2.543
  476    HG   SER  47           HG       SER  47 -11.552  -0.179  -2.138
  477    QB   SER  47           QB       SER  47  -9.342  -0.154  -2.496
  478    H    GLY  48           H        GLY  48  -7.167  -1.088  -4.672
  479   1HA   GLY  48          2HA       GLY  48  -6.163   1.145  -6.047
  480   2HA   GLY  48          1HA       GLY  48  -5.282   0.274  -4.784
  481    QA   GLY  48           QA       GLY  48  -5.722   0.710  -5.416
  482    H    SER  49           H        SER  49  -5.987   3.179  -5.565
  483    HA   SER  49           HA       SER  49  -5.567   4.425  -3.148
  484   1HB   SER  49          1HB       SER  49  -7.021   6.069  -5.144
  485   2HB   SER  49          2HB       SER  49  -5.396   6.280  -4.497
  486    HG   SER  49           HG       SER  49  -5.275   5.841  -6.698
  487    QB   SER  49           QB       SER  49  -6.208   6.175  -4.821
  488    H    ASP  50           H        ASP  50  -8.611   3.097  -3.986
  489    HA   ASP  50           HA       ASP  50 -10.326   5.069  -2.837
  490   1HB   ASP  50          1HB       ASP  50 -11.362   3.553  -4.209
  491   2HB   ASP  50          2HB       ASP  50 -10.449   2.200  -3.636
  492    QB   ASP  50           QB       ASP  50 -10.905   2.877  -3.923
  493    H    LEU  51           H        LEU  51  -8.276   2.577  -1.258
  494    HA   LEU  51           HA       LEU  51  -9.386   2.969   1.447
  495   1HB   LEU  51          1HB       LEU  51  -6.991   1.697   0.105
  496   2HB   LEU  51          2HB       LEU  51  -6.857   2.061   1.805
  497    HG   LEU  51           HG       LEU  51  -8.414   0.531   2.502
  498   1HD1  LEU  51          1HD1      LEU  51  -9.566   0.367  -0.311
  499   2HD1  LEU  51          2HD1      LEU  51  -9.988  -0.724   1.029
  500   3HD1  LEU  51          3HD1      LEU  51 -10.377   0.989   1.133
  501   1HD2  LEU  51          1HD2      LEU  51  -6.351  -0.418   1.501
  502   2HD2  LEU  51          2HD2      LEU  51  -7.722  -1.535   1.394
  503   3HD2  LEU  51          3HD2      LEU  51  -7.203  -0.627  -0.048
  504    MD1  LEU  51           QD1      LEU  51  -9.977   0.211   0.617
  505    MD2  LEU  51           QD2      LEU  51  -7.092  -0.860   0.949
  506    QB   LEU  51           QB       LEU  51  -6.924   1.879   0.955
  507    QD   LEU  51           QQD      LEU  51  -8.534  -0.325   0.783
  508    H    ILE  52           H        ILE  52  -7.681   5.075  -0.549
  509    HA   ILE  52           HA       ILE  52  -6.094   6.229   1.682
  510    HB   ILE  52           HB       ILE  52  -5.537   5.592  -1.114
  511   1HG1  ILE  52          1HG1      ILE  52  -4.064   5.425   1.522
  512   2HG1  ILE  52          2HG1      ILE  52  -4.816   4.107   0.611
  513   1HG2  ILE  52          1HG2      ILE  52  -5.083   7.995  -1.228
  514   2HG2  ILE  52          2HG2      ILE  52  -3.983   7.851   0.166
  515   3HG2  ILE  52          3HG2      ILE  52  -3.624   7.058  -1.386
  516   1HD1  ILE  52          1HD1      ILE  52  -3.104   4.598  -1.235
  517   2HD1  ILE  52          2HD1      ILE  52  -2.335   5.676  -0.051
  518   3HD1  ILE  52          3HD1      ILE  52  -2.456   3.940   0.292
  519    MG   ILE  52           QG2      ILE  52  -4.230   7.635  -0.816
  520    MD   ILE  52           QD1      ILE  52  -2.632   4.738  -0.331
  521    QG   ILE  52           QG1      ILE  52  -4.440   4.766   1.066
  522    H    TYR  53           H        TYR  53  -8.111   6.967  -1.253
  523    HA   TYR  53           HA       TYR  53  -8.284   9.797  -0.471
  524   1HB   TYR  53          1HB       TYR  53  -8.783   8.202  -3.012
  525   2HB   TYR  53          2HB       TYR  53  -9.164   9.885  -2.840
  526    HD1  TYR  53           HD1      TYR  53  -6.447  10.588  -1.228
  527    HD2  TYR  53           HD2      TYR  53  -7.386   8.570  -4.929
  528    HE1  TYR  53           HE1      TYR  53  -4.274  11.273  -2.144
  529    HE2  TYR  53           HE2      TYR  53  -5.186   9.270  -5.852
  530    HH   TYR  53           HH       TYR  53  -2.868  11.373  -4.154
  531    QB   TYR  53           QB       TYR  53  -8.973   9.044  -2.926
  532    QD   TYR  53           QD       TYR  53  -6.916   9.579  -3.079
  533    QE   TYR  53           QE       TYR  53  -4.730  10.272  -3.998
  534    QR   TYR  53           QR       TYR  53  -5.823   9.925  -3.538
  535    H    TYR  54           H        TYR  54 -10.271   6.839  -0.539
  536    HA   TYR  54           HA       TYR  54 -12.638   8.523   0.050
  537   1HB   TYR  54          1HB       TYR  54 -12.757   5.882  -1.398
  538   2HB   TYR  54          2HB       TYR  54 -14.037   7.061  -1.193
  539    HD1  TYR  54           HD1      TYR  54 -12.531   5.568  -3.653
  540    HD2  TYR  54           HD2      TYR  54 -12.768   9.597  -2.165
  541    HE1  TYR  54           HE1      TYR  54 -11.913   6.406  -5.887
  542    HE2  TYR  54           HE2      TYR  54 -12.170  10.471  -4.406
  543    HH   TYR  54           HH       TYR  54 -11.318   8.295  -7.107
  544    QB   TYR  54           QB       TYR  54 -13.397   6.472  -1.296
  545    QD   TYR  54           QD       TYR  54 -12.649   7.583  -2.909
  546    QE   TYR  54           QE       TYR  54 -12.041   8.439  -5.147
  547    QR   TYR  54           QR       TYR  54 -12.345   8.011  -4.028
  548    HA   PRO  55           HA       PRO  55 -11.236   4.823   2.831
  549   1HB   PRO  55          1HB       PRO  55 -10.434   5.991   5.128
  550   2HB   PRO  55          2HB       PRO  55  -9.384   5.839   3.668
  551   1HG   PRO  55          1HG       PRO  55 -10.992   8.183   4.551
  552   2HG   PRO  55          2HG       PRO  55  -9.229   8.085   4.124
  553   1HD   PRO  55          1HD       PRO  55 -11.075   8.859   2.248
  554   2HD   PRO  55          2HD       PRO  55  -9.705   7.778   1.835
  555    QB   PRO  55           QB       PRO  55  -9.909   5.915   4.398
  556    QG   PRO  55           QG       PRO  55 -10.110   8.134   4.337
  557    QD   PRO  55           QD       PRO  55 -10.390   8.319   2.041
  558    H    GLU  56           H        GLU  56 -12.268   3.925   4.668
  559    HA   GLU  56           HA       GLU  56 -14.905   5.088   5.363
  560   1HB   GLU  56          1HB       GLU  56 -15.552   2.597   5.553
  561   2HB   GLU  56          2HB       GLU  56 -15.445   3.342   3.993
  562   1HG   GLU  56          1HG       GLU  56 -14.470   0.964   4.316
  563   2HG   GLU  56          2HG       GLU  56 -13.582   2.136   3.341
  564    QB   GLU  56           QB       GLU  56 -15.498   2.970   4.773
  565    QG   GLU  56           QG       GLU  56 -14.026   1.550   3.828
  566    H    GLY  57           H        GLY  57 -15.456   3.107   7.241
  567   1HA   GLY  57          2HA       GLY  57 -15.732   3.650   9.507
  568   2HA   GLY  57          1HA       GLY  57 -14.283   4.665   9.454
  569    QA   GLY  57           QA       GLY  57 -15.007   4.158   9.480
  570    H    ASN  58           H        ASN  58 -13.396   1.808   8.261
  571    HA   ASN  58           HA       ASN  58 -12.500   0.639  10.870
  572   1HB   ASN  58          1HB       ASN  58 -12.219  -1.274   9.612
  573   2HB   ASN  58          2HB       ASN  58 -12.823  -0.446   8.198
  574   1HD2  ASN  58          2HD2      ASN  58 -11.290   0.408   6.770
  575   2HD2  ASN  58          1HD2      ASN  58  -9.843  -0.626   6.759
  576    QB   ASN  58           QB       ASN  58 -12.521  -0.860   8.905
  577    QD   ASN  58           QD2      ASN  58 -10.566  -0.109   6.764
  578    H    ASN  59           H        ASN  59 -11.840   3.137   8.588
  579    HA   ASN  59           HA       ASN  59  -8.967   2.663   8.519
  580   1HB   ASN  59          1HB       ASN  59 -10.672   3.217   6.662
  581   2HB   ASN  59          2HB       ASN  59 -10.411   4.888   7.081
  582   1HD2  ASN  59          2HD2      ASN  59  -9.883   3.505   4.635
  583   2HD2  ASN  59          1HD2      ASN  59  -8.299   4.093   4.296
  584    QB   ASN  59           QB       ASN  59 -10.541   4.053   6.871
  585    QD   ASN  59           QD2      ASN  59  -9.091   3.799   4.465
  586    H    ASP  60           H        ASP  60  -7.385   3.893   9.443
  587    HA   ASP  60           HA       ASP  60  -8.221   6.024  11.309
  588   1HB   ASP  60          1HB       ASP  60  -6.336   5.677  12.540
  589   2HB   ASP  60          2HB       ASP  60  -6.752   4.038  12.066
  590    QB   ASP  60           QB       ASP  60  -6.544   4.858  12.303
  591    H    GLY  61           H        GLY  61  -7.278   5.667   8.121
  592   1HA   GLY  61          2HA       GLY  61  -6.948   8.434   7.702
  593   2HA   GLY  61          1HA       GLY  61  -6.768   7.136   6.518
  594    QA   GLY  61           QA       GLY  61  -6.858   7.785   7.110
  595    H    SER  62           H        SER  62  -4.593   6.279   8.970
  596    HA   SER  62           HA       SER  62  -2.381   7.854   7.978
  597   1HB   SER  62          1HB       SER  62  -1.735   7.634  10.067
  598   2HB   SER  62          2HB       SER  62  -3.340   7.171  10.470
  599    HG   SER  62           HG       SER  62  -2.741   5.291  10.932
  600    QB   SER  62           QB       SER  62  -2.537   7.403  10.268
  601    HA   PRO  63           HA       PRO  63  -0.887   4.399   5.709
  602   1HB   PRO  63          1HB       PRO  63   1.652   3.740   6.563
  603   2HB   PRO  63          2HB       PRO  63   1.310   5.269   5.698
  604   1HG   PRO  63          1HG       PRO  63   1.442   4.855   8.701
  605   2HG   PRO  63          2HG       PRO  63   2.293   6.090   7.719
  606   1HD   PRO  63          1HD       PRO  63  -0.013   6.680   8.964
  607   2HD   PRO  63          2HD       PRO  63   0.273   7.282   7.304
  608    QB   PRO  63           QB       PRO  63   1.481   4.505   6.130
  609    QG   PRO  63           QG       PRO  63   1.868   5.473   8.210
  610    QD   PRO  63           QD       PRO  63   0.130   6.981   8.134
  611    H    GLU  64           H        GLU  64  -1.535   4.043   9.043
  612    HA   GLU  64           HA       GLU  64  -0.609   1.319   9.316
  613   1HB   GLU  64          1HB       GLU  64  -2.302   3.240  10.951
  614   2HB   GLU  64          2HB       GLU  64  -2.111   1.580  11.445
  615   1HG   GLU  64          1HG       GLU  64   0.336   3.272  10.769
  616   2HG   GLU  64          2HG       GLU  64  -0.444   3.369  12.323
  617    QB   GLU  64           QB       GLU  64  -2.206   2.410  11.198
  618    QG   GLU  64           QG       GLU  64  -0.054   3.321  11.546
  619    H    ALA  65           H        ALA  65  -3.891   2.798   9.192
  620    HA   ALA  65           HA       ALA  65  -5.164   0.248   9.184
  621   1HB   ALA  65          3HB       ALA  65  -6.389   2.241   9.783
  622   2HB   ALA  65          2HB       ALA  65  -7.158   1.457   8.386
  623   3HB   ALA  65          1HB       ALA  65  -6.159   2.913   8.145
  624    MB   ALA  65           QB       ALA  65  -6.569   2.204   8.771
  625    H    VAL  66           H        VAL  66  -3.739   2.082   6.477
  626    HA   VAL  66           HA       VAL  66  -5.053   0.321   4.490
  627    HB   VAL  66           HB       VAL  66  -2.415   1.775   4.172
  628   1HG1  VAL  66          1HG1      VAL  66  -4.272   0.635   2.132
  629   2HG1  VAL  66          2HG1      VAL  66  -2.850   1.677   1.799
  630   3HG1  VAL  66          3HG1      VAL  66  -2.629   0.097   2.541
  631   1HG2  VAL  66          1HG2      VAL  66  -4.224   3.489   4.666
  632   2HG2  VAL  66          2HG2      VAL  66  -3.677   3.596   2.999
  633   3HG2  VAL  66          3HG2      VAL  66  -5.207   2.795   3.371
  634    MG1  VAL  66           QG1      VAL  66  -3.250   0.803   2.157
  635    MG2  VAL  66           QG2      VAL  66  -4.369   3.293   3.679
  636    QG   VAL  66           QQG      VAL  66  -3.810   2.048   2.918
  637    H    ILE  67           H        ILE  67  -1.866   0.165   6.283
  638    HA   ILE  67           HA       ILE  67  -1.053  -2.181   4.862
  639    HB   ILE  67           HB       ILE  67  -0.204  -0.728   7.340
  640   1HG1  ILE  67          1HG1      ILE  67   2.029  -1.236   6.319
  641   2HG1  ILE  67          2HG1      ILE  67   1.285  -2.357   5.194
  642   1HG2  ILE  67          1HG2      ILE  67   0.453  -3.698   7.242
  643   2HG2  ILE  67          2HG2      ILE  67   1.266  -2.500   8.253
  644   3HG2  ILE  67          3HG2      ILE  67  -0.432  -2.839   8.522
  645   1HD1  ILE  67          1HD1      ILE  67   0.412   0.513   5.445
  646   2HD1  ILE  67          2HD1      ILE  67   1.676  -0.010   4.312
  647   3HD1  ILE  67          3HD1      ILE  67  -0.003  -0.578   4.147
  648    MG   ILE  67           QG2      ILE  67   0.429  -3.012   8.006
  649    MD   ILE  67           QD1      ILE  67   0.695  -0.025   4.635
  650    QG   ILE  67           QG1      ILE  67   1.657  -1.796   5.756
  651    H    LYS  68           H        LYS  68  -2.803  -1.692   7.585
  652    HA   LYS  68           HA       LYS  68  -3.466  -4.475   8.349
  653   1HB   LYS  68          1HB       LYS  68  -5.213  -1.982   8.735
  654   2HB   LYS  68          2HB       LYS  68  -5.471  -3.552   9.472
  655   1HG   LYS  68          1HG       LYS  68  -3.101  -3.341  10.439
  656   2HG   LYS  68          2HG       LYS  68  -3.048  -1.752   9.819
  657   1HD   LYS  68          1HD       LYS  68  -5.370  -1.528  11.237
  658   2HD   LYS  68          2HD       LYS  68  -4.484  -2.698  12.223
  659   1HE   LYS  68          1HE       LYS  68  -3.647   0.107  11.359
  660   2HE   LYS  68          2HE       LYS  68  -3.966  -0.434  13.007
  661   1HZ   LYS  68          1HZ       LYS  68  -1.949  -1.822  12.831
  662   2HZ   LYS  68          2HZ       LYS  68  -1.697  -1.269  11.298
  663   3HZ   LYS  68          3HZ       LYS  68  -1.571  -0.255  12.541
  664    QB   LYS  68           QB       LYS  68  -5.342  -2.767   9.103
  665    QD   LYS  68           QD       LYS  68  -4.927  -2.113  11.730
  666    QG   LYS  68           QG       LYS  68  -3.074  -2.546  10.129
  667    QE   LYS  68           QE       LYS  68  -3.806  -0.163  12.183
  668    QZ   LYS  68           QZ       LYS  68  -1.739  -1.115  12.223
  669    H    GLU  69           H        GLU  69  -5.509  -2.243   6.254
  670    HA   GLU  69           HA       GLU  69  -7.130  -4.419   5.655
  671   1HB   GLU  69          1HB       GLU  69  -6.806  -1.693   5.021
  672   2HB   GLU  69          2HB       GLU  69  -6.723  -2.399   3.531
  673   1HG   GLU  69          1HG       GLU  69  -8.997  -2.511   5.568
  674   2HG   GLU  69          2HG       GLU  69  -9.077  -1.856   3.942
  675    QB   GLU  69           QB       GLU  69  -6.764  -2.046   4.276
  676    QG   GLU  69           QG       GLU  69  -9.037  -2.183   4.755
  677    H    ILE  70           H        ILE  70  -3.908  -3.728   4.454
  678    HA   ILE  70           HA       ILE  70  -4.226  -5.030   1.969
  679    HB   ILE  70           HB       ILE  70  -1.890  -4.010   3.437
  680   1HG1  ILE  70          1HG1      ILE  70  -2.287  -2.309   2.312
  681   2HG1  ILE  70          2HG1      ILE  70  -2.136  -3.085   0.756
  682   1HG2  ILE  70          1HG2      ILE  70  -2.100  -5.688   0.950
  683   2HG2  ILE  70          2HG2      ILE  70  -0.672  -4.677   1.367
  684   3HG2  ILE  70          3HG2      ILE  70  -1.151  -6.019   2.428
  685   1HD1  ILE  70          1HD1      ILE  70  -4.645  -2.249   2.265
  686   2HD1  ILE  70          2HD1      ILE  70  -3.946  -1.516   0.845
  687   3HD1  ILE  70          3HD1      ILE  70  -4.648  -3.140   0.720
  688    MG   ILE  70           QG2      ILE  70  -1.308  -5.461   1.582
  689    MD   ILE  70           QD1      ILE  70  -4.413  -2.302   1.277
  690    QG   ILE  70           QG1      ILE  70  -2.211  -2.697   1.534
  691    H    LYS  71           H        LYS  71  -2.513  -5.771   5.254
  692    HA   LYS  71           HA       LYS  71  -2.169  -8.509   5.017
  693   1HB   LYS  71          1HB       LYS  71  -3.420  -7.129   7.451
  694   2HB   LYS  71          2HB       LYS  71  -2.694  -8.698   7.435
  695   1HG   LYS  71          1HG       LYS  71  -1.181  -6.127   6.922
  696   2HG   LYS  71          2HG       LYS  71  -1.406  -6.897   8.501
  697   1HD   LYS  71          1HD       LYS  71  -0.384  -8.969   7.426
  698   2HD   LYS  71          2HD       LYS  71   0.103  -7.879   6.095
  699   1HE   LYS  71          1HE       LYS  71   1.386  -6.480   7.636
  700   2HE   LYS  71          2HE       LYS  71   0.690  -7.263   9.048
  701   1HZ   LYS  71          1HZ       LYS  71   2.374  -8.907   7.273
  702   2HZ   LYS  71          2HZ       LYS  71   3.069  -7.897   8.354
  703   3HZ   LYS  71          3HZ       LYS  71   2.147  -8.994   8.914
  704    QB   LYS  71           QB       LYS  71  -3.057  -7.913   7.443
  705    QD   LYS  71           QD       LYS  71  -0.140  -8.424   6.760
  706    QG   LYS  71           QG       LYS  71  -1.293  -6.512   7.711
  707    QE   LYS  71           QE       LYS  71   1.038  -6.871   8.342
  708    QZ   LYS  71           QZ       LYS  71   2.530  -8.599   8.180
  709    H    GLU  72           H        GLU  72  -5.245  -6.755   6.078
  710    HA   GLU  72           HA       GLU  72  -6.277  -9.272   6.638
  711   1HB   GLU  72          1HB       GLU  72  -6.523  -6.480   7.263
  712   2HB   GLU  72          2HB       GLU  72  -8.018  -6.973   6.671
  713   1HG   GLU  72          1HG       GLU  72  -7.744  -7.230   9.133
  714   2HG   GLU  72          2HG       GLU  72  -7.940  -8.846   8.398
  715    QB   GLU  72           QB       GLU  72  -7.270  -6.726   6.967
  716    QG   GLU  72           QG       GLU  72  -7.842  -8.038   8.765
  717    H    TRP  73           H        TRP  73  -7.053  -6.890   3.985
  718    HA   TRP  73           HA       TRP  73  -8.883  -8.428   2.551
  719   1HB   TRP  73          1HB       TRP  73  -8.203  -6.164   2.006
  720   2HB   TRP  73          2HB       TRP  73  -6.659  -6.845   1.421
  721    HD1  TRP  73           HD1      TRP  73 -10.323  -6.608   0.663
  722    HE1  TRP  73           HE1      TRP  73 -10.750  -7.185  -1.813
  723    HE3  TRP  73           HE3      TRP  73  -5.668  -8.106  -0.531
  724    HZ2  TRP  73           HZ2      TRP  73  -9.218  -8.341  -4.000
  725    HZ3  TRP  73           HZ3      TRP  73  -5.089  -8.829  -2.884
  726    HH2  TRP  73           HH2      TRP  73  -6.757  -8.999  -4.538
  727    QB   TRP  73           QB       TRP  73  -7.431  -6.504   1.713
  728    H    ARG  74           H        ARG  74  -5.147  -8.689   2.448
  729    HA   ARG  74           HA       ARG  74  -5.392 -10.591   0.350
  730   1HB   ARG  74          1HB       ARG  74  -3.203 -10.053   2.395
  731   2HB   ARG  74          2HB       ARG  74  -2.995 -11.103   0.989
  732   1HG   ARG  74          1HG       ARG  74  -3.925  -8.223   0.663
  733   2HG   ARG  74          2HG       ARG  74  -2.258  -8.582   0.897
  734   1HD   ARG  74          1HD       ARG  74  -4.062  -9.706  -1.298
  735   2HD   ARG  74          2HD       ARG  74  -3.058  -8.270  -1.463
  736    HE   ARG  74           HE       ARG  74  -1.396 -10.414  -0.630
  737   1HH1  ARG  74          1HH1      ARG  74  -0.473 -11.983  -1.927
  738   2HH1  ARG  74          2HH1      ARG  74  -0.886 -12.100  -3.635
  739   1HH2  ARG  74          1HH2      ARG  74  -2.974  -9.292  -3.565
  740   2HH2  ARG  74          2HH2      ARG  74  -2.741 -10.724  -4.507
  741    QB   ARG  74           QB       ARG  74  -3.099 -10.578   1.692
  742    QG   ARG  74           QG       ARG  74  -3.091  -8.402   0.780
  743    QD   ARG  74           QD       ARG  74  -3.560  -8.988  -1.381
  744    QH1  ARG  74           QH1      ARG  74  -0.679 -12.041  -2.781
  745    QH2  ARG  74           QH2      ARG  74  -2.857 -10.008  -4.036
  746    H    ALA  75           H        ALA  75  -4.980 -11.049   3.945
  747    HA   ALA  75           HA       ALA  75  -4.927 -13.803   3.684
  748   1HB   ALA  75          3HB       ALA  75  -5.285 -13.785   6.174
  749   2HB   ALA  75          1HB       ALA  75  -4.073 -12.583   5.676
  750   3HB   ALA  75          2HB       ALA  75  -5.723 -12.066   6.082
  751    MB   ALA  75           QB       ALA  75  -5.027 -12.811   5.977
  752    H    ALA  76           H        ALA  76  -7.742 -11.576   4.215
  753    HA   ALA  76           HA       ALA  76  -9.674 -13.625   4.646
  754   1HB   ALA  76          3HB       ALA  76 -10.114 -11.241   5.106
  755   2HB   ALA  76          1HB       ALA  76  -9.972 -10.861   3.377
  756   3HB   ALA  76          2HB       ALA  76 -11.303 -11.886   3.956
  757    MB   ALA  76           QB       ALA  76 -10.463 -11.329   4.146
  758    H    ASN  77           H        ASN  77  -8.420 -12.067   1.617
  759    HA   ASN  77           HA       ASN  77  -9.946 -13.670  -0.178
  760   1HB   ASN  77          1HB       ASN  77  -7.457 -11.916  -0.305
  761   2HB   ASN  77          2HB       ASN  77  -7.927 -12.929  -1.606
  762   1HD2  ASN  77          2HD2      ASN  77  -9.342 -10.410   0.445
  763   2HD2  ASN  77          1HD2      ASN  77 -10.259  -9.675  -0.835
  764    QB   ASN  77           QB       ASN  77  -7.692 -12.422  -0.956
  765    QD   ASN  77           QD2      ASN  77  -9.800 -10.042  -0.195
  766    H    GLY  78           H        GLY  78  -7.516 -14.745   1.974
  767   1HA   GLY  78          2HA       GLY  78  -7.174 -17.236   0.518
  768   2HA   GLY  78          1HA       GLY  78  -6.621 -16.838   2.146
  769    QA   GLY  78           QA       GLY  78  -6.897 -17.037   1.332
  770    H    LYS  79           H        LYS  79  -5.228 -14.283   0.735
  771    HA   LYS  79           HA       LYS  79  -3.190 -15.590  -0.855
  772   1HB   LYS  79          1HB       LYS  79  -3.990 -12.652  -0.510
  773   2HB   LYS  79          2HB       LYS  79  -3.010 -13.374  -1.767
  774   1HG   LYS  79          1HG       LYS  79  -5.029 -14.743  -2.441
  775   2HG   LYS  79          2HG       LYS  79  -5.958 -13.795  -1.308
  776   1HD   LYS  79          1HD       LYS  79  -5.552 -11.729  -2.491
  777   2HD   LYS  79          2HD       LYS  79  -4.503 -12.553  -3.667
  778   1HE   LYS  79          1HE       LYS  79  -6.247 -13.643  -4.717
  779   2HE   LYS  79          2HE       LYS  79  -7.256 -13.690  -3.266
  780   1HZ   LYS  79          1HZ       LYS  79  -7.589 -11.234  -3.622
  781   2HZ   LYS  79          2HZ       LYS  79  -6.790 -11.434  -5.083
  782   3HZ   LYS  79          3HZ       LYS  79  -8.206 -12.179  -4.795
  783    QB   LYS  79           QB       LYS  79  -3.500 -13.013  -1.139
  784    QD   LYS  79           QD       LYS  79  -5.027 -12.141  -3.079
  785    QG   LYS  79           QG       LYS  79  -5.493 -14.269  -1.875
  786    QE   LYS  79           QE       LYS  79  -6.751 -13.666  -3.992
  787    QZ   LYS  79           QZ       LYS  79  -7.528 -11.616  -4.500
  788    H    SER  80           H        SER  80  -0.978 -14.586  -0.712
  789    HA   SER  80           HA       SER  80   0.015 -14.338   1.969
  790   1HB   SER  80          1HB       SER  80   2.065 -13.526   0.512
  791   2HB   SER  80          2HB       SER  80   1.567 -15.222   0.500
  792    HG   SER  80           HG       SER  80   1.922 -14.403  -1.598
  793    QB   SER  80           QB       SER  80   1.816 -14.374   0.506
  794    H    GLY  81           H        GLY  81   0.079 -12.534   3.185
  795   1HA   GLY  81          2HA       GLY  81   0.053 -10.320   3.806
  796   2HA   GLY  81          1HA       GLY  81  -0.243  -9.793   2.139
  797    QA   GLY  81           QA       GLY  81  -0.095 -10.056   2.972
  798    H    PHE  82           H        PHE  82   1.819  -8.619   3.657
  799    HA   PHE  82           HA       PHE  82   4.113  -9.043   2.117
  800   1HB   PHE  82          1HB       PHE  82   4.450  -7.829   4.822
  801   2HB   PHE  82          2HB       PHE  82   4.976  -7.261   3.268
  802    HD1  PHE  82           HD1      PHE  82   2.350  -7.119   5.742
  803    HD2  PHE  82           HD2      PHE  82   3.585  -5.898   1.826
  804    HE1  PHE  82           HE1      PHE  82   0.553  -5.355   5.724
  805    HE2  PHE  82           HE2      PHE  82   1.807  -4.195   1.797
  806    HZ   PHE  82           HZ       PHE  82   0.310  -3.894   3.755
  807    QB   PHE  82           QB       PHE  82   4.713  -7.545   4.045
  808    QD   PHE  82           QD       PHE  82   2.968  -6.508   3.784
  809    QE   PHE  82           QE       PHE  82   1.180  -4.775   3.760
  810    QR   PHE  82           QR       PHE  82   1.721  -5.292   3.769
  811    H    LYS  83           H        LYS  83   6.229  -9.181   3.668
  812    HA   LYS  83           HA       LYS  83   7.019 -11.625   4.415
  813   1HB   LYS  83          1HB       LYS  83   7.909  -9.055   4.414
  814   2HB   LYS  83          2HB       LYS  83   7.536  -9.187   6.050
  815   1HG   LYS  83          1HG       LYS  83   9.918  -9.872   5.798
  816   2HG   LYS  83          2HG       LYS  83   9.075 -11.402   5.941
  817   1HD   LYS  83          1HD       LYS  83  10.674 -11.517   4.109
  818   2HD   LYS  83          2HD       LYS  83   9.042 -11.599   3.436
  819   1HE   LYS  83          1HE       LYS  83   9.178  -9.164   2.871
  820   2HE   LYS  83          2HE       LYS  83  10.828  -9.116   3.492
  821   1HZ   LYS  83          1HZ       LYS  83   9.879 -10.738   1.202
  822   2HZ   LYS  83          2HZ       LYS  83  10.670  -9.336   1.073
  823   3HZ   LYS  83          3HZ       LYS  83  11.466 -10.612   1.675
  824    QB   LYS  83           QB       LYS  83   7.723  -9.121   5.232
  825    QD   LYS  83           QD       LYS  83   9.858 -11.558   3.772
  826    QG   LYS  83           QG       LYS  83   9.497 -10.637   5.869
  827    QE   LYS  83           QE       LYS  83  10.003  -9.140   3.181
  828    QZ   LYS  83           QZ       LYS  83  10.672 -10.229   1.317
  829    H    GLN  84           H        GLN  84   7.166 -12.748   6.493
  830    HA   GLN  84           HA       GLN  84   4.922 -12.717   8.111
  831   1HB   GLN  84          1HB       GLN  84   6.656 -14.556   7.283
  832   2HB   GLN  84          2HB       GLN  84   7.625 -14.046   8.659
  833   1HG   GLN  84          1HG       GLN  84   4.957 -14.407   9.611
  834   2HG   GLN  84          2HG       GLN  84   5.265 -15.726   8.473
  835   1HE2  GLN  84          2HE2      GLN  84   6.933 -13.989  11.178
  836   2HE2  GLN  84          1HE2      GLN  84   7.557 -15.463  11.932
  837    QB   GLN  84           QB       GLN  84   7.141 -14.301   7.971
  838    QG   GLN  84           QG       GLN  84   5.111 -15.066   9.042
  839    QE   GLN  84           QE2      GLN  84   7.245 -14.726  11.555
  840    H    GLY  85           H        GLY  85   5.634 -10.251   8.371
  841   1HA   GLY  85          2HA       GLY  85   6.788  -8.793  10.259
  842   2HA   GLY  85          1HA       GLY  85   5.786  -9.941  11.220
  843    QA   GLY  85           QA       GLY  85   6.287  -9.367  10.739

  No H/Q in entry =         843