*HEADER    BACTERIOCIN                             28-MAR-00   1E0H
*TITLE     INHIBITOR PROTEIN IM9 BOUND TO ITS PARTNER E9 DNASE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: IMMUNITY PROTEIN FOR COLICIN E9;
*COMPND   3 CHAIN: A;
*COMPND   5 OTHER_DETAILS: BOUND TO COLICIN E9 DNASE DOMAIN
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   3 STRAIN: JM105
*KEYWDS    COLICIN IMMUNITY PROTEIN, E-TYPE COLICINS, INHIBITOR OF E9
*KEYWDS   2 DNASE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    R.BOETZEL,M.CZISCH,R.KAPTEIN,A.M.HEMMINGS,R.JAMES,
*AUTHOR   2 C.KLEANTHOUS,G.R.MOORE
*REVDAT   1   30-OCT-00 1E0H    0




  1 MET  HA      1 MET  QE      5.01                
  1 MET  HA      2 GLU- HA      5.50                
  1 MET  HA      2 GLU- QB      6.04                
  1 MET  QB      3 LEU  QB      7.25                
  1 MET  QB      3 LEU  QQD     8.97                
  1 MET  HG2     3 LEU  QD1     9.67                
  1 MET  HG2     3 LEU  QD2     9.67                
  1 MET  HG3     3 LEU  QD1     9.67                
  1 MET  HG3     3 LEU  QD2     9.67                
  1 MET  QG      3 LEU  QB      7.13                
  1 MET  QG      3 LEU  QD1     7.40                
  1 MET  QG      3 LEU  QD2     7.40                
  1 MET  QG      3 LEU  QQD     6.66                
  1 MET  QG      3 LEU  QQD     6.66                
  2 GLU- HA      2 GLU- HB2     2.96                
  2 GLU- HA      2 GLU- HB3     2.96                
  2 GLU- HA      2 GLU- QB      2.71                
  2 GLU- HA      2 GLU- HG2     4.26                
  2 GLU- HA      2 GLU- HG3     4.26                
  2 GLU- HA      2 GLU- QG      3.86                
  2 GLU- HA      3 LEU  QB      5.63                
  2 GLU- HA      3 LEU  HG      5.10                
  2 GLU- HA      3 LEU  QQD     8.10                
  2 GLU- QB      4 LYS+ QD      5.42                
  2 GLU- QB      4 LYS+ QE      7.25                
  2 GLU- HG2     3 LEU  HN      4.88                
  2 GLU- HG3     3 LEU  HN      4.88                
  2 GLU- QG      3 LEU  HN      4.74                
  3 LEU  HN      3 LEU  HA      2.62                
  3 LEU  HN      3 LEU  HB2     3.76                
  3 LEU  HN      3 LEU  HB3     3.76                
  3 LEU  HN      3 LEU  QB      3.41                
  3 LEU  HN      3 LEU  HG      3.95                
  3 LEU  HN      3 LEU  QD1     5.94                
  3 LEU  HN      3 LEU  QD2     5.94                
  3 LEU  HN      3 LEU  QQD     8.10                
  3 LEU  HN      3 LEU  QQD     5.32                
  3 LEU  HN      4 LYS+ HN      4.76                
  3 LEU  HN      4 LYS+ HA      4.04                
  3 LEU  HN      4 LYS+ QB      4.92                
  3 LEU  HA      3 LEU  HG      3.67                
  3 LEU  HA      3 LEU  QD1     5.41                
  3 LEU  HA      3 LEU  QD2     5.41                
  3 LEU  HA      3 LEU  QQD     4.36                
  3 LEU  HA      4 LYS+ HN      3.27                
  3 LEU  HA     10 TYR  QE      7.63                
  3 LEU  HA     18 LEU  QD2     7.50                
  3 LEU  HA     39 HIS  HE1     5.50                
  3 LEU  HB2     4 LYS+ HN      4.17                
  3 LEU  HB3     4 LYS+ HN      4.17                
  3 LEU  QB      4 LYS+ HN      3.75                
  3 LEU  QB      4 LYS+ HA      4.39                
  3 LEU  HG     36 LEU  QB      6.38                
  3 LEU  QD1     4 LYS+ HN      5.01                
  3 LEU  QD1    18 LEU  QD1    10.69                
  3 LEU  QD1    18 LEU  QD2    10.69                
  3 LEU  QD1    35 LYS+ HG2     9.29                
  3 LEU  QD1    35 LYS+ HG2     9.67                
  3 LEU  QD1    35 LYS+ HG3     9.29                
  3 LEU  QD1    35 LYS+ HG3     9.67                
  3 LEU  QD1    39 HIS  HN      6.53                
  3 LEU  QD1    39 HIS  HB2     6.53                
  3 LEU  QD1    39 HIS  HB3     6.53                
  3 LEU  QD1    39 HIS  HD2     6.53                
  3 LEU  QD2     4 LYS+ HN      5.01                
  3 LEU  QD2    18 LEU  QD1    10.69                
  3 LEU  QD2    18 LEU  QD2    10.69                
  3 LEU  QD2    35 LYS+ HG2     9.67                
  3 LEU  QD2    35 LYS+ HG3     9.67                
  3 LEU  QD2    39 HIS  HN      6.53                
  3 LEU  QD2    39 HIS  HB2     6.53                
  3 LEU  QD2    39 HIS  HB3     6.53                
  3 LEU  QD2    39 HIS  HD2     6.53                
  3 LEU  QQD     4 LYS+ HN      4.61                
  3 LEU  QQD     5 HIS  HN      8.10                
  3 LEU  QQD    18 LEU  QQD     8.99                
  3 LEU  QQD    35 LYS+ QB      8.97                
  3 LEU  QQD    35 LYS+ QG      7.11                
  3 LEU  QQD    35 LYS+ QG      8.05                
  3 LEU  QQD    35 LYS+ QD      8.97                
  3 LEU  QQD    35 LYS+ QE      8.97                
  3 LEU  QQD    36 LEU  HA      8.10                
  3 LEU  QQD    36 LEU  QB      6.34                
  3 LEU  QQD    36 LEU  QB      8.97                
  3 LEU  QQD    36 LEU  HG      8.10                
  3 LEU  QQD    36 LEU  QQD    10.69                
  3 LEU  QQD    39 HIS  HN      6.09                
  3 LEU  QQD    39 HIS  HA      8.10                
  3 LEU  QQD    43 MET  QE      9.13                
  4 LYS+ HN      4 LYS+ HA      2.83                
  4 LYS+ HN      4 LYS+ HB2     4.20                
  4 LYS+ HN      4 LYS+ HB3     4.20                
  4 LYS+ HN      4 LYS+ QE      6.38                
  4 LYS+ HN      5 HIS  HN      4.38                
  4 LYS+ HA      4 LYS+ HD2     4.72                
  4 LYS+ HA      4 LYS+ HD3     4.72                
  4 LYS+ HA      4 LYS+ QD      4.34                
  4 LYS+ HA      4 LYS+ HE2     5.50                
  4 LYS+ HA      4 LYS+ HE3     5.50                
  4 LYS+ HA      4 LYS+ QE      5.18                
  4 LYS+ HA      5 HIS  HN      3.11                
  4 LYS+ HA      5 HIS  HA      4.82                
  4 LYS+ HA      5 HIS  HD1     5.50                
  4 LYS+ HA      5 HIS  HD2     5.50                
  4 LYS+ HA      6 SER  HN      3.95                
  4 LYS+ HA      9 ASP- QB      4.24                
  4 LYS+ HA     10 TYR  QE      7.63                
  4 LYS+ HB2     4 LYS+ HE2     5.50                
  4 LYS+ HB2     4 LYS+ HE3     5.50                
  4 LYS+ HB2     5 HIS  HN      5.47                
  4 LYS+ HB2     6 SER  HN      4.01                
  4 LYS+ HB2     9 ASP- HB2     7.25                
  4 LYS+ HB2     9 ASP- HB3     7.25                
  4 LYS+ HB2    10 TYR  QE      7.32                
  4 LYS+ HB3     4 LYS+ HE2     5.50                
  4 LYS+ HB3     4 LYS+ HE3     5.50                
  4 LYS+ HB3     5 HIS  HN      5.47                
  4 LYS+ HB3     6 SER  HN      4.01                
  4 LYS+ HB3     9 ASP- HB2     7.25                
  4 LYS+ HB3     9 ASP- HB3     7.25                
  4 LYS+ HB3    10 TYR  QE      7.32                
  4 LYS+ QB      5 HIS  HN      4.70                
  4 LYS+ QB      5 HIS  HD1     6.38                
  4 LYS+ QB      6 SER  HN      3.54                
  4 LYS+ QB      9 ASP- QB      5.82                
  4 LYS+ QB     10 TYR  QE      6.88                
  4 LYS+ HG2     9 ASP- HB2     7.25                
  4 LYS+ HG2     9 ASP- HB3     7.25                
  4 LYS+ HG3     9 ASP- HB2     7.25                
  4 LYS+ HG3     9 ASP- HB3     7.25                
  4 LYS+ QG      9 ASP- QB      6.03                
  4 LYS+ QG     10 TYR  QE      8.51                
  4 LYS+ QG     10 TYR  QE      8.51                
  4 LYS+ HD2     9 ASP- HB2     5.36                
  4 LYS+ HD2     9 ASP- HB3     5.36                
  4 LYS+ HD2    10 TYR  HA      5.50                
  4 LYS+ HD2    10 TYR  QE      7.63                
  4 LYS+ HD3     9 ASP- HB2     5.36                
  4 LYS+ HD3     9 ASP- HB3     5.36                
  4 LYS+ HD3    10 TYR  HA      5.50                
  4 LYS+ HD3    10 TYR  QE      7.63                
  4 LYS+ QD      9 ASP- QB      4.29                
  4 LYS+ QD     10 TYR  HA      4.94                
  4 LYS+ QD     10 TYR  QD      8.52                
  4 LYS+ QD     10 TYR  QE      7.03                
  4 LYS+ HE2    10 TYR  HA      5.50                
  4 LYS+ HE2    10 TYR  QB      6.38                
  4 LYS+ HE3    10 TYR  HA      5.50                
  4 LYS+ HE3    10 TYR  QB      6.38                
  4 LYS+ QE      5 HIS  HN      6.38                
  4 LYS+ QE     10 TYR  HA      5.08                
  5 HIS  HN      5 HIS  HB2     3.67                
  5 HIS  HN      5 HIS  HB3     3.67                
  5 HIS  HN      5 HIS  QB      3.45                
  5 HIS  HN      6 SER  HN      2.77                
  5 HIS  HN      6 SER  HA      5.50                
  5 HIS  HN      9 ASP- HN      4.38                
  5 HIS  HA      5 HIS  HD2     5.50                
  5 HIS  HA      6 SER  HN      3.30                
  5 HIS  HB2     6 SER  HN      3.55                
  5 HIS  HB2     6 SER  HB2     7.25                
  5 HIS  HB2     6 SER  HB3     7.25                
  5 HIS  HB3     6 SER  HN      3.92                
  5 HIS  HB3     6 SER  HB2     7.25                
  5 HIS  HB3     6 SER  HB3     7.25                
  5 HIS  QB      6 SER  HN      3.75                
  5 HIS  QB      6 SER  QB      5.86                
  5 HIS  HD2     6 SER  HA      5.50                
  5 HIS  HD2     6 SER  QB      6.38                
  6 SER  HN      6 SER  HB2     3.39                
  6 SER  HN      6 SER  HB3     3.39                
  6 SER  HN      6 SER  QB      3.18                
  6 SER  HN      7 ILE  HN      4.39                
  6 SER  HN      7 ILE  QG2     7.03                
  6 SER  HN      8 SER  HN      3.86                
  6 SER  HN      9 ASP- QB      4.05                
  6 SER  HN     43 MET  QE      4.76                
  6 SER  HA      6 SER  HB2     2.87                
  6 SER  HA      6 SER  HB3     2.87                
  6 SER  HA      7 ILE  HN      2.93                
  6 SER  HA      7 ILE  QG2     6.53                
  6 SER  HA      8 SER  HN      4.07                
  6 SER  HA      9 ASP- HN      4.42                
  6 SER  HA     43 MET  QE      5.91                
  6 SER  HB2     7 ILE  HN      3.30                
  6 SER  HB2     7 ILE  QG2     6.53                
  6 SER  HB2    43 MET  QE      6.53                
  6 SER  HB3     7 ILE  HN      3.30                
  6 SER  HB3     7 ILE  QG2     6.53                
  6 SER  HB3    43 MET  QE      6.53                
  6 SER  QB      7 ILE  HN      3.07                
  6 SER  QB      7 ILE  QD1     7.40                
  6 SER  QB      8 SER  HN      4.61                
  6 SER  QB      9 ASP- HN      6.25                
  7 ILE  HN      7 ILE  HB      3.52                
  7 ILE  HN      7 ILE  QG2     4.42                
  7 ILE  HN      7 ILE  QD1     6.16                
  7 ILE  HN      8 SER  HN      3.21                
  7 ILE  HN      9 ASP- HN      5.04                
  7 ILE  HN     43 MET  HB2     5.50                
  7 ILE  HN     43 MET  HB3     5.50                
  7 ILE  HN     43 MET  QB      5.18                
  7 ILE  HA      7 ILE  QG1     3.97                
  7 ILE  HA      9 ASP- HN      5.31                
  7 ILE  HA     10 TYR  HN      4.29                
  7 ILE  HA     10 TYR  QB      5.91                
  7 ILE  HA     10 TYR  QE      6.80                
  7 ILE  HA     15 PHE  QE      7.62                
  7 ILE  HA     83 PHE  QD      6.72                
  7 ILE  HA     83 PHE  QE      7.62                
  7 ILE  HB     15 PHE  QE      7.62                
  7 ILE  HB     43 MET  HA      4.38                
  7 ILE  HB     43 MET  QB      5.82                
  7 ILE  HB     43 MET  QE      6.53                
  7 ILE  HB     44 THR  HA      4.23                
  7 ILE  HB     44 THR  QG2     6.53                
  7 ILE  HB     71 VAL  QQG     8.09                
  7 ILE  HB     83 PHE  QD      7.62                
  7 ILE  QG2     8 SER  HA      6.53                
  7 ILE  QG2     8 SER  HB2     6.53                
  7 ILE  QG2     8 SER  HB3     6.53                
  7 ILE  QG2    43 MET  HA      6.53                
  7 ILE  QG2    43 MET  QB      7.40                
  7 ILE  QG2    43 MET  QE      7.56                
  7 ILE  QG2    44 THR  HA      6.53                
  7 ILE  QG2    44 THR  QG2     7.56                
  7 ILE  QG2    71 VAL  QQG     9.12                
  7 ILE  QG2    82 GLY  HA1     6.53                
  7 ILE  QG2    82 GLY  HA2     6.53                
  7 ILE  QG2    83 PHE  HA      6.53                
  7 ILE  QG2    83 PHE  QD      8.65                
  7 ILE  QG2    83 PHE  QE      8.65                
  7 ILE  HG12   83 PHE  QD      7.62                
  7 ILE  HG13   83 PHE  QD      7.62                
  7 ILE  QG1     8 SER  HN      5.57                
  7 ILE  QG1     9 ASP- HN      6.38                
  7 ILE  QG1    10 TYR  HN      6.38                
  7 ILE  QG1    83 PHE  HN      6.38                
  7 ILE  QG1    83 PHE  QD      7.15                
  7 ILE  QG1    83 PHE  QE      7.10                
  7 ILE  QD1     8 SER  HB2     6.53                
  7 ILE  QD1     8 SER  HB3     6.53                
  7 ILE  QD1    15 PHE  QD      8.65                
  7 ILE  QD1    15 PHE  QE      8.65                
  7 ILE  QD1    15 PHE  QR      9.01                
  7 ILE  QD1    43 MET  HA      6.53                
  7 ILE  QD1    43 MET  HB2     6.53                
  7 ILE  QD1    43 MET  HB3     6.53                
  7 ILE  QD1    43 MET  HG2     6.53                
  7 ILE  QD1    43 MET  HG3     6.53                
  7 ILE  QD1    43 MET  QE      7.56                
  7 ILE  QD1    44 THR  HN      6.22                
  7 ILE  QD1    44 THR  HA      6.53                
  7 ILE  QD1    44 THR  HB      6.53                
  7 ILE  QD1    44 THR  QG2     7.56                
  7 ILE  QD1    45 GLU- HN      6.53                
  7 ILE  QD1    71 VAL  HB      6.53                
  7 ILE  QD1    71 VAL  QG1     7.56                
  7 ILE  QD1    71 VAL  QG2     7.56                
  7 ILE  QD1    75 ARG+ HD2     6.53                
  7 ILE  QD1    75 ARG+ HD3     6.53                
  7 ILE  QD1    82 GLY  QA      7.19                
  7 ILE  QD1    83 PHE  QD      8.65                
  7 ILE  QD1    83 PHE  QE      8.65                
  7 ILE  QD1    83 PHE  HZ      6.53                
  8 SER  HN      8 SER  HB2     3.30                
  8 SER  HN      8 SER  HB3     3.30                
  8 SER  HN      9 ASP- HN      3.45                
  8 SER  HN     10 TYR  HN      5.47                
  8 SER  HA      8 SER  HB2     2.46                
  8 SER  HA      8 SER  HB3     2.46                
  8 SER  HA     10 TYR  HN      3.45                
  8 SER  HA     83 PHE  HA      3.27                
  8 SER  HA     84 LYS+ HN      4.14                
  8 SER  HB2     9 ASP- HA      5.50                
  8 SER  HB2    83 PHE  HA      4.82                
  8 SER  HB3     9 ASP- HA      5.50                
  8 SER  HB3    83 PHE  HA      4.82                
  8 SER  QB      9 ASP- HN      4.39                
  8 SER  QB     10 TYR  HN      4.73                
  8 SER  QB     83 PHE  HA      4.19                
  9 ASP- HN      9 ASP- QB      3.60                
  9 ASP- HN     10 TYR  HN      2.99                
  9 ASP- HA     10 TYR  HN      3.45                
  9 ASP- HA     84 LYS+ QB      4.76                
  9 ASP- HA     84 LYS+ QG      6.38                
  9 ASP- HA     84 LYS+ QD      4.39                
  9 ASP- HA     84 LYS+ QE      5.66                
  9 ASP- QB     10 TYR  HN      4.24                
  9 ASP- QB     10 TYR  HA      5.91                
  9 ASP- QB     43 MET  QE      7.40                
 10 TYR  HN     11 THR  HN      4.66                
 10 TYR  HN     11 THR  QG2     6.53                
 10 TYR  HN     84 LYS+ QG      6.38                
 10 TYR  HN     84 LYS+ QD      6.38                
 10 TYR  HA     11 THR  HA      5.50                
 10 TYR  HA     11 THR  QG2     6.53                
 10 TYR  HA     84 LYS+ QD      6.38                
 10 TYR  HA     84 LYS+ QE      6.38                
 10 TYR  QB     15 PHE  QB      7.25                
 10 TYR  QB     83 PHE  QD      8.50                
 10 TYR  QD     11 THR  HA      7.64                
 10 TYR  QD     12 GLU- HA      6.83                
 10 TYR  QD     12 GLU- QG      8.52                
 10 TYR  QD     14 GLU- HA      7.64                
 10 TYR  QD     14 GLU- HB2     7.64                
 10 TYR  QD     14 GLU- HB3     7.64                
 10 TYR  QD     14 GLU- HG2     7.64                
 10 TYR  QD     14 GLU- HG3     7.64                
 10 TYR  QD     15 PHE  HA      7.61                
 10 TYR  QD     15 PHE  QD      9.76                
 10 TYR  QD     15 PHE  QE      9.76                
 10 TYR  QD     18 LEU  QQD    10.24                
 10 TYR  QD     43 MET  QE      8.67                
 10 TYR  QE     12 GLU- HG2     7.63                
 10 TYR  QE     12 GLU- HG3     7.63                
 10 TYR  QE     14 GLU- HB2     7.63                
 10 TYR  QE     14 GLU- HB3     7.63                
 10 TYR  QE     18 LEU  QQD    10.23                
 10 TYR  QE     43 MET  HG2     7.63                
 10 TYR  QE     43 MET  HG3     7.63                
 10 TYR  QE     43 MET  QE      8.66                
 11 THR  HN     11 THR  QG2     4.67                
 11 THR  HN     12 GLU- HN      5.13                
 11 THR  HN     14 GLU- HN      5.31                
 11 THR  HN     14 GLU- QB      4.80                
 11 THR  HN     14 GLU- QG      6.38                
 11 THR  HN     84 LYS+ QG      6.38                
 11 THR  HA     11 THR  HB      2.65                
 11 THR  HA     12 GLU- HN      3.48                
 11 THR  HA     12 GLU- QB      5.48                
 11 THR  HA     13 ALA  HN      4.57                
 11 THR  HA     83 PHE  HA      4.17                
 11 THR  HA     83 PHE  HB2     3.42                
 11 THR  HA     83 PHE  HB3     3.42                
 11 THR  HA     84 LYS+ HN      3.89                
 11 THR  HA     84 LYS+ HA      3.86                
 11 THR  HA     84 LYS+ HB2     3.27                
 11 THR  HA     84 LYS+ HB3     3.27                
 11 THR  HA     84 LYS+ QB      2.96                
 11 THR  HA     84 LYS+ QG      6.31                
 11 THR  HA     84 LYS+ QD      5.45                
 11 THR  HA     84 LYS+ QE      6.38                
 11 THR  HA     85 GLN  HA      4.54                
 11 THR  HB     12 GLU- HN      3.21                
 11 THR  HB     13 ALA  HN      3.79                
 11 THR  HB     13 ALA  QB      6.53                
 11 THR  HB     84 LYS+ HA      4.20                
 11 THR  HB     84 LYS+ HB2     5.50                
 11 THR  HB     84 LYS+ HB3     5.50                
 11 THR  HB     84 LYS+ QB      4.95                
 11 THR  HB     84 LYS+ QG      5.73                
 11 THR  HB     84 LYS+ QD      6.38                
 11 THR  HB     85 GLN  HA      4.07                
 11 THR  HB     86 GLY  QA      4.89                
 11 THR  QG2    12 GLU- HN      4.92                
 11 THR  QG2    12 GLU- QB      7.40                
 11 THR  QG2    13 ALA  QB      7.56                
 11 THR  QG2    14 GLU- HN      5.54                
 11 THR  QG2    14 GLU- HG2     6.53                
 11 THR  QG2    14 GLU- HG3     6.53                
 11 THR  QG2    84 LYS+ HN      5.50                
 11 THR  QG2    84 LYS+ HA      6.53                
 11 THR  QG2    84 LYS+ HB2     6.53                
 11 THR  QG2    84 LYS+ HB3     6.53                
 11 THR  QG2    84 LYS+ QG      7.40                
 11 THR  QG2    84 LYS+ QD      7.16                
 11 THR  QG2    84 LYS+ QE      7.40                
 11 THR  QG2    85 GLN  HN      5.44                
 11 THR  QG2    85 GLN  HA      6.53                
 11 THR  QG2    85 GLN  QG      7.40                
 11 THR  QG2    86 GLY  HN      4.33                
 11 THR  QG2    86 GLY  QA      7.40                
 12 GLU- HN     12 GLU- QG      4.52                
 12 GLU- HN     13 ALA  HN      3.39                
 12 GLU- HN     13 ALA  QB      5.75                
 12 GLU- HN     83 PHE  QB      6.38                
 12 GLU- HN     84 LYS+ HN      5.25                
 12 GLU- HA     12 GLU- HB2     3.02                
 12 GLU- HA     12 GLU- HB3     3.02                
 12 GLU- HA     12 GLU- HG2     4.17                
 12 GLU- HA     12 GLU- HG3     4.17                
 12 GLU- HA     12 GLU- QG      3.51                
 12 GLU- HA     13 ALA  HN      3.42                
 12 GLU- HA     15 PHE  HN      3.64                
 12 GLU- HA     15 PHE  HB2     3.67                
 12 GLU- HA     15 PHE  HB3     3.67                
 12 GLU- HA     15 PHE  QE      7.62                
 12 GLU- HA     68 VAL  QQG     8.09                
 12 GLU- HA     83 PHE  QD      7.62                
 12 GLU- HG2    68 VAL  QG1     8.28                
 12 GLU- HG2    68 VAL  QG2     8.28                
 12 GLU- HG3    68 VAL  QG1     8.28                
 12 GLU- HG3    68 VAL  QG2     8.28                
 12 GLU- QG     13 ALA  HN      5.23                
 12 GLU- QG     14 GLU- HN      6.38                
 12 GLU- QG     68 VAL  QQG     6.77                
 12 GLU- QG     83 PHE  QD      8.50                
 12 GLU- O      16 LEU  HN      2.30                
 13 ALA  HN     14 GLU- HN      3.30                
 13 ALA  HN     14 GLU- QB      4.86                
 13 ALA  HN     15 PHE  HN      3.76                
 13 ALA  HN     16 LEU  HN      4.26                
 13 ALA  HN     16 LEU  QB      5.32                
 13 ALA  HN     16 LEU  QQD     7.66                
 13 ALA  HA     16 LEU  HN      4.14                
 13 ALA  HA     16 LEU  HN      3.24                
 13 ALA  HA     16 LEU  HB2     3.45                
 13 ALA  HA     16 LEU  HB3     3.45                
 13 ALA  HA     16 LEU  QB      3.15                
 13 ALA  HA     16 LEU  QD1     6.53                
 13 ALA  HA     16 LEU  QD2     6.53                
 13 ALA  HA     16 LEU  QQD     6.05                
 13 ALA  HA     17 GLN  HN      3.95                
 13 ALA  QB     14 GLU- HN      4.20                
 13 ALA  QB     16 LEU  QB      7.40                
 13 ALA  QB     16 LEU  QQD     9.13                
 13 ALA  QB     16 LEU  QQD     9.13                
 13 ALA  QB     17 GLN  QB      7.40                
 13 ALA  QB     17 GLN  QB      7.40                
 13 ALA  O      17 GLN  HN      2.30                
 14 GLU- HN     14 GLU- HG2     5.50                
 14 GLU- HN     14 GLU- HG3     5.50                
 14 GLU- HN     14 GLU- QG      4.97                
 14 GLU- HN     15 PHE  HN      3.30                
 14 GLU- HN     16 LEU  HN      5.04                
 14 GLU- HN     16 LEU  QQD     8.10                
 14 GLU- HA     14 GLU- QB      2.73                
 14 GLU- HA     14 GLU- HG2     3.39                
 14 GLU- HA     14 GLU- HG3     3.39                
 14 GLU- HA     14 GLU- QG      3.17                
 14 GLU- HA     16 LEU  HN      4.45                
 14 GLU- HA     17 GLN  QB      4.52                
 14 GLU- HB2    83 PHE  QD      6.88                
 14 GLU- HB3    83 PHE  QD      6.88                
 14 GLU- QB     15 PHE  HN      4.52                
 14 GLU- QB     83 PHE  QD      6.76                
 14 GLU- QG     83 PHE  QD      8.50                
 15 PHE  HN     16 LEU  HN      3.64                
 15 PHE  HN     17 GLN  HN      4.11                
 15 PHE  HN     68 VAL  QQG     8.09                
 15 PHE  HA     18 LEU  HN      3.86                
 15 PHE  HA     18 LEU  HB2     4.20                
 15 PHE  HA     18 LEU  HB3     4.20                
 15 PHE  HA     18 LEU  QB      3.73                
 15 PHE  HA     18 LEU  HG      5.04                
 15 PHE  HA     18 LEU  QD1     6.53                
 15 PHE  HA     18 LEU  QD2     6.53                
 15 PHE  HA     19 VAL  HN      4.42                
 15 PHE  QB     18 LEU  QQD     8.97                
 15 PHE  QD     68 VAL  QG1     8.65                
 15 PHE  QD     68 VAL  QG2     8.65                
 15 PHE  QD     71 VAL  QG1     8.65                
 15 PHE  QD     71 VAL  QG2     8.65                
 15 PHE  QE     18 LEU  QB      8.50                
 15 PHE  QE     18 LEU  QQD    10.22                
 15 PHE  QE     43 MET  HG2     7.62                
 15 PHE  QE     43 MET  HG3     7.62                
 15 PHE  QE     68 VAL  HA      7.62                
 15 PHE  QE     68 VAL  QG1     8.65                
 15 PHE  QE     68 VAL  QG2     8.65                
 15 PHE  QE     71 VAL  HB      7.62                
 15 PHE  QE     71 VAL  QQG    10.21                
 15 PHE  QR     18 LEU  QB      8.86                
 15 PHE  O      19 VAL  HN      2.30                
 16 LEU  HN     16 LEU  HB2     3.36                
 16 LEU  HN     16 LEU  HB3     3.36                
 16 LEU  HN     16 LEU  HG      4.50                
 16 LEU  HN     16 LEU  HG      5.50                
 16 LEU  HN     16 LEU  QD1     5.29                
 16 LEU  HN     16 LEU  QD1     6.53                
 16 LEU  HN     16 LEU  QD2     5.29                
 16 LEU  HN     16 LEU  QD2     6.53                
 16 LEU  HN     16 LEU  QQD     4.95                
 16 LEU  HN     17 GLN  HN      2.93                
 16 LEU  HN     17 GLN  QB      6.04                
 16 LEU  HN     17 GLN  QG      6.38                
 16 LEU  HN     18 LEU  QQD     8.10                
 16 LEU  HN     19 VAL  HB      5.50                
 16 LEU  HN     68 VAL  QQG     8.09                
 16 LEU  HN     68 VAL  QQG     6.41                
 16 LEU  HA     16 LEU  HG      5.00                
 16 LEU  HA     16 LEU  QD1     5.91                
 16 LEU  HA     16 LEU  QD2     5.91                
 16 LEU  HA     19 VAL  HN      3.45                
 16 LEU  HA     19 VAL  HB      3.79                
 16 LEU  HA     19 VAL  QG1     6.53                
 16 LEU  HA     19 VAL  QG2     6.53                
 16 LEU  HA     68 VAL  HN      5.50                
 16 LEU  HA     68 VAL  QG1     6.53                
 16 LEU  HA     68 VAL  QG2     6.53                
 16 LEU  HB2    17 GLN  HN      3.92                
 16 LEU  HB2    68 VAL  QG1     6.53                
 16 LEU  HB2    68 VAL  QG2     6.53                
 16 LEU  HB3    17 GLN  HN      3.92                
 16 LEU  HB3    68 VAL  QG1     6.53                
 16 LEU  HB3    68 VAL  QG2     6.53                
 16 LEU  QB     17 GLN  HN      3.66                
 16 LEU  QB     17 GLN  HA      5.26                
 16 LEU  QB     18 LEU  HN      5.11                
 16 LEU  QB     19 VAL  QQG     8.96                
 16 LEU  QB     19 VAL  QQG     8.96                
 16 LEU  HG     17 GLN  HN      4.35                
 16 LEU  HG     17 GLN  HA      4.32                
 16 LEU  HG     68 VAL  QG1     6.53                
 16 LEU  HG     68 VAL  QG2     6.53                
 16 LEU  QD1    17 GLN  HN      5.47                
 16 LEU  QD1    19 VAL  HB      6.53                
 16 LEU  QD1    65 SER  HA      6.53                
 16 LEU  QD1    65 SER  HB2     6.53                
 16 LEU  QD1    65 SER  HB3     6.53                
 16 LEU  QD1    68 VAL  HB      6.53                
 16 LEU  QD1    68 VAL  QG1     7.56                
 16 LEU  QD1    68 VAL  QG2     7.56                
 16 LEU  QD1    69 ASN  HN      6.53                
 16 LEU  QD2    19 VAL  HB      6.53                
 16 LEU  QD2    65 SER  HA      6.53                
 16 LEU  QD2    65 SER  HB2     6.53                
 16 LEU  QD2    65 SER  HB3     6.53                
 16 LEU  QD2    68 VAL  HB      6.53                
 16 LEU  QD2    68 VAL  QG1     7.56                
 16 LEU  QD2    68 VAL  QG2     7.56                
 16 LEU  QD2    69 ASN  HN      6.53                
 16 LEU  QQD    17 GLN  HN      5.18                
 16 LEU  QQD    17 GLN  QB      8.97                
 16 LEU  QQD    64 PRO  HA      7.29                
 16 LEU  QQD    65 SER  HA      6.26                
 16 LEU  QQD    69 ASN  HN      5.63                
 16 LEU  O      20 THR  HN      2.30                
 17 GLN  HN     17 GLN  HA      2.65                
 17 GLN  HN     17 GLN  QB      3.68                
 17 GLN  HN     17 GLN  QG      4.11                
 17 GLN  HN     18 LEU  HN      3.14                
 17 GLN  HN     18 LEU  QB      4.64                
 17 GLN  HN     19 VAL  HN      4.07                
 17 GLN  HN     20 THR  HN      4.88                
 17 GLN  HN     20 THR  QG2     5.60                
 17 GLN  HA     17 GLN  QG      3.56                
 17 GLN  HA     18 LEU  HN      3.52                
 17 GLN  HA     20 THR  HN      3.45                
 17 GLN  HA     20 THR  HN      3.52                
 17 GLN  HA     20 THR  HB      2.43                
 17 GLN  HA     20 THR  QG2     6.53                
 17 GLN  HA     21 THR  HN      5.07                
 17 GLN  QB     18 LEU  HN      4.39                
 17 GLN  QB     18 LEU  HA      4.92                
 17 GLN  QB     20 THR  HB      5.66                
 17 GLN  QB     20 THR  QG2     7.40                
 17 GLN  QG     18 LEU  HN      5.42                
 17 GLN  QG     18 LEU  HA      4.08                
 17 GLN  QG     20 THR  HB      5.66                
 17 GLN  QG     20 THR  QG2     7.40                
 18 LEU  HN     18 LEU  HA      2.93                
 18 LEU  HN     18 LEU  HG      4.57                
 18 LEU  HN     18 LEU  QD1     5.35                
 18 LEU  HN     18 LEU  QD2     5.35                
 18 LEU  HN     18 LEU  QQD     4.83                
 18 LEU  HN     19 VAL  HN      3.27                
 18 LEU  HN     19 VAL  QQG     8.09                
 18 LEU  HN     20 THR  HN      4.57                
 18 LEU  HA     18 LEU  HG      3.45                
 18 LEU  HA     18 LEU  QD1     6.53                
 18 LEU  HA     18 LEU  QD2     6.53                
 18 LEU  HA     21 THR  HN      5.07                
 18 LEU  HA     21 THR  HB      4.00                
 18 LEU  HA     21 THR  QG2     6.53                
 18 LEU  HA     36 LEU  QQD     8.10                
 18 LEU  HB2    19 VAL  HN      5.50                
 18 LEU  HB3    19 VAL  HN      5.50                
 18 LEU  QB     19 VAL  HN      5.17                
 18 LEU  QB     19 VAL  HA      5.63                
 18 LEU  QB     19 VAL  QQG     8.96                
 18 LEU  HG     19 VAL  HN      5.50                
 18 LEU  HG     19 VAL  HN      5.50                
 18 LEU  HG     22 ILE  QD1     6.53                
 18 LEU  HG     36 LEU  HG      5.50                
 18 LEU  HG     36 LEU  QQD     8.10                
 18 LEU  HG     39 HIS  HD2     4.51                
 18 LEU  QD1    21 THR  HB      6.53                
 18 LEU  QD1    36 LEU  HB2     8.28                
 18 LEU  QD1    36 LEU  HB3     8.28                
 18 LEU  QD1    36 LEU  QD1    10.69                
 18 LEU  QD1    36 LEU  QD2    10.69                
 18 LEU  QD1    39 HIS  HD2     6.53                
 18 LEU  QD1    40 PHE  HB2     9.67                
 18 LEU  QD1    40 PHE  HB3     9.67                
 18 LEU  QD2    21 THR  HB      6.53                
 18 LEU  QD2    36 LEU  HB2     8.28                
 18 LEU  QD2    36 LEU  HB3     8.28                
 18 LEU  QD2    36 LEU  QD1    10.69                
 18 LEU  QD2    36 LEU  QD2    10.69                
 18 LEU  QD2    39 HIS  HD2     6.53                
 18 LEU  QD2    40 PHE  HB2     9.67                
 18 LEU  QD2    40 PHE  HB3     9.67                
 18 LEU  QQD    19 VAL  HN      8.10                
 18 LEU  QQD    19 VAL  HN      8.10                
 18 LEU  QQD    19 VAL  HA      8.10                
 18 LEU  QQD    19 VAL  HB      8.10                
 18 LEU  QQD    19 VAL  QQG    10.47                
 18 LEU  QQD    21 THR  HB      5.45                
 18 LEU  QQD    22 ILE  HN      8.10                
 18 LEU  QQD    22 ILE  QD1     9.13                
 18 LEU  QQD    36 LEU  HA      8.10                
 18 LEU  QQD    36 LEU  QB      6.77                
 18 LEU  QQD    36 LEU  HG      8.10                
 18 LEU  QQD    36 LEU  QQD     8.15                
 18 LEU  QQD    39 HIS  QB      8.97                
 18 LEU  QQD    39 HIS  HD2     5.86                
 18 LEU  QQD    40 PHE  HN      8.10                
 18 LEU  QQD    40 PHE  HN      6.36                
 18 LEU  QQD    40 PHE  QB      8.05                
 18 LEU  O      22 ILE  HN      2.30                
 19 VAL  HN     19 VAL  HB      3.27                
 19 VAL  HN     19 VAL  QG1     4.82                
 19 VAL  HN     19 VAL  QG2     4.82                
 19 VAL  HN     19 VAL  QQG     4.07                
 19 VAL  HN     20 THR  HN      3.30                
 19 VAL  HN     20 THR  QG2     6.03                
 19 VAL  HN     21 THR  HN      4.72                
 19 VAL  HA     22 ILE  HN      4.11                
 19 VAL  HA     22 ILE  HN      4.69                
 19 VAL  HA     22 ILE  HB      3.64                
 19 VAL  HA     22 ILE  QG2     6.53                
 19 VAL  HA     22 ILE  QD1     6.53                
 19 VAL  HA     23 CYS  HN      5.50                
 19 VAL  HA     40 PHE  QD      7.62                
 19 VAL  HA     53 ILE  QG1     6.35                
 19 VAL  HA     68 VAL  QG1     6.53                
 19 VAL  HA     68 VAL  QG2     6.53                
 19 VAL  HB     68 VAL  QG1     6.53                
 19 VAL  HB     68 VAL  QG2     6.53                
 19 VAL  QG1    40 PHE  QD      8.65                
 19 VAL  QG1    40 PHE  QE      8.65                
 19 VAL  QG1    64 PRO  HA      6.53                
 19 VAL  QG1    67 ILE  QD1     7.56                
 19 VAL  QG2    40 PHE  QD      8.65                
 19 VAL  QG2    40 PHE  QE      8.65                
 19 VAL  QG2    64 PRO  HA      6.53                
 19 VAL  QG2    67 ILE  QD1     7.56                
 19 VAL  QQG    20 THR  HN      8.09                
 19 VAL  QQG    20 THR  HN      6.38                
 19 VAL  QQG    22 ILE  QD1     9.12                
 19 VAL  QQG    23 CYS  HN      8.09                
 19 VAL  QQG    40 PHE  HA      8.03                
 19 VAL  QQG    40 PHE  HA      8.09                
 19 VAL  QQG    40 PHE  QB      8.90                
 19 VAL  QQG    40 PHE  QB      8.96                
 19 VAL  QQG    52 LEU  QQD    10.69                
 19 VAL  QQG    53 ILE  QG2     9.12                
 19 VAL  QQG    53 ILE  QD1     9.12                
 19 VAL  QQG    65 SER  HN      6.76                
 19 VAL  QQG    67 ILE  HB      8.09                
 19 VAL  QQG    68 VAL  HA      8.09                
 19 VAL  QQG    68 VAL  HB      8.09                
 19 VAL  QQG    68 VAL  QQG    10.68                
 19 VAL  O      23 CYS  HN      2.30                
 20 THR  HN     20 THR  HB      3.79                
 20 THR  HN     20 THR  HB      3.21                
 20 THR  HN     21 THR  HN      3.64                
 20 THR  HN     21 THR  HB      4.26                
 20 THR  HN     68 VAL  QQG     6.88                
 20 THR  HA     23 CYS  HB2     3.95                
 20 THR  HA     23 CYS  HB3     3.95                
 20 THR  HA     23 CYS  QB      3.67                
 20 THR  HA     24 ASN  HN      4.38                
 20 THR  HA     64 PRO  HB2     4.14                
 20 THR  HA     64 PRO  HB3     4.14                
 20 THR  HA     64 PRO  QB      3.92                
 20 THR  HA     64 PRO  QG      5.23                
 20 THR  HB     21 THR  HN      4.23                
 20 THR  HB     23 CYS  QB      6.38                
 20 THR  QG2    21 THR  HN      4.54                
 20 THR  QG2    21 THR  HA      6.53                
 20 THR  QG2    21 THR  HB      6.53                
 20 THR  QG2    23 CYS  QB      7.40                
 20 THR  QG2    24 ASN  QB      7.40                
 20 THR  QG2    64 PRO  HB2     6.53                
 20 THR  QG2    64 PRO  HB3     6.53                
 20 THR  QG2    64 PRO  QG      7.40                
 21 THR  HN     21 THR  HB      3.76                
 21 THR  HN     22 ILE  HN      3.30                
 21 THR  HN     23 CYS  HN      5.00                
 21 THR  HN     26 ASP- HB2     5.50                
 21 THR  HN     26 ASP- HB3     5.50                
 21 THR  HN     36 LEU  QQD     6.89                
 21 THR  HA     24 ASN  HB2     3.92                
 21 THR  HA     24 ASN  HB3     3.92                
 21 THR  HA     24 ASN  QB      3.76                
 21 THR  HA     26 ASP- HB2     2.68                
 21 THR  HA     26 ASP- HB3     2.68                
 21 THR  HB     22 ILE  HN      3.45                
 21 THR  HB     22 ILE  HN      3.83                
 21 THR  HB     22 ILE  QG1     6.38                
 21 THR  HB     22 ILE  QD1     6.53                
 21 THR  HB     24 ASN  QB      6.38                
 21 THR  HB     26 ASP- QB      6.38                
 21 THR  HB     36 LEU  QQD     8.10                
 21 THR  QG2    22 ILE  HN      6.53                
 21 THR  QG2    22 ILE  HN      4.82                
 21 THR  QG2    22 ILE  HA      6.53                
 21 THR  QG2    22 ILE  QG2     7.56                
 21 THR  QG2    22 ILE  QG1     7.40                
 21 THR  QG2    22 ILE  QD1     7.56                
 21 THR  QG2    23 CYS  HN      6.53                
 21 THR  QG2    25 ALA  HN      5.23                
 21 THR  QG2    26 ASP- HN      4.79                
 21 THR  QG2    26 ASP- HA      6.53                
 21 THR  QG2    26 ASP- HB2     6.53                
 21 THR  QG2    26 ASP- HB3     6.53                
 21 THR  QG2    27 THR  HA      6.53                
 21 THR  QG2    27 THR  HB      6.53                
 21 THR  QG2    27 THR  QG2     7.56                
 21 THR  QG2    32 GLU- QB      7.40                
 21 THR  QG2    32 GLU- QB      7.40                
 21 THR  QG2    36 LEU  HN      6.34                
 21 THR  QG2    36 LEU  HA      6.53                
 21 THR  QG2    36 LEU  HB2     6.53                
 21 THR  QG2    36 LEU  HB3     6.53                
 21 THR  QG2    36 LEU  HG      6.53                
 21 THR  QG2    36 LEU  QD1     7.56                
 21 THR  QG2    36 LEU  QD2     7.56                
 21 THR  O      25 ALA  HN      2.30                
 22 ILE  HN     22 ILE  HB      3.36                
 22 ILE  HN     22 ILE  QG2     4.73                
 22 ILE  HN     22 ILE  QD1     4.54                
 22 ILE  HN     22 ILE  QD1     6.53                
 22 ILE  HN     23 CYS  HN      2.93                
 22 ILE  HN     24 ASN  HN      3.02                
 22 ILE  HN     26 ASP- QB      6.38                
 22 ILE  HN     36 LEU  QQD     6.42                
 22 ILE  HA     25 ALA  HA      3.95                
 22 ILE  HA     25 ALA  QB      6.53                
 22 ILE  HA     27 THR  QG2     6.53                
 22 ILE  HA     33 LEU  QB      5.20                
 22 ILE  HA     33 LEU  HG      4.45                
 22 ILE  HA     33 LEU  QQD     8.10                
 22 ILE  HA     36 LEU  QQD     8.10                
 22 ILE  HB     23 CYS  HN      4.23                
 22 ILE  HB     23 CYS  HN      5.50                
 22 ILE  HB     23 CYS  QB      6.38                
 22 ILE  HB     36 LEU  QB      6.38                
 22 ILE  HB     53 ILE  QD1     6.53                
 22 ILE  QG2    23 CYS  HN      6.53                
 22 ILE  QG2    23 CYS  HN      4.73                
 22 ILE  QG2    24 ASN  HN      6.53                
 22 ILE  QG2    27 THR  QG2     7.56                
 22 ILE  QG2    33 LEU  HA      6.53                
 22 ILE  QG2    33 LEU  HG      6.53                
 22 ILE  QG2    33 LEU  QQD     9.13                
 22 ILE  QG2    34 VAL  QQG     9.12                
 22 ILE  QG2    36 LEU  HB2     6.53                
 22 ILE  QG2    36 LEU  HB3     6.53                
 22 ILE  QG2    36 LEU  HG      6.53                
 22 ILE  QG2    36 LEU  QQD     9.13                
 22 ILE  QG2    37 VAL  HN      5.85                
 22 ILE  QG2    37 VAL  HA      6.53                
 22 ILE  QG2    37 VAL  HB      6.53                
 22 ILE  QG2    37 VAL  QG1     7.56                
 22 ILE  QG2    37 VAL  QG2     6.48                
 22 ILE  QG2    37 VAL  QG2     7.56                
 22 ILE  QG2    53 ILE  QG2     7.56                
 22 ILE  QG2    53 ILE  QD1     7.56                
 22 ILE  QG2    54 TYR  HE2     6.53                
 22 ILE  QG2    67 ILE  HG12    7.50                
 22 ILE  QG2    67 ILE  QD1     7.56                
 22 ILE  QG1    36 LEU  QQD     8.97                
 22 ILE  QD1    23 CYS  HN      5.57                
 22 ILE  QD1    23 CYS  HN      6.53                
 22 ILE  QD1    33 LEU  QQD     9.13                
 22 ILE  QD1    34 VAL  QQG     9.12                
 22 ILE  QD1    36 LEU  HN      4.76                
 22 ILE  QD1    36 LEU  HA      6.53                
 22 ILE  QD1    36 LEU  HB2     6.53                
 22 ILE  QD1    36 LEU  HB3     6.53                
 22 ILE  QD1    36 LEU  HG      6.53                
 22 ILE  QD1    36 LEU  QD1     7.56                
 22 ILE  QD1    36 LEU  QD2     7.56                
 22 ILE  QD1    37 VAL  HN      6.53                
 22 ILE  QD1    37 VAL  HA      6.53                
 22 ILE  QD1    37 VAL  HB      6.53                
 22 ILE  QD1    37 VAL  QG1     7.56                
 22 ILE  QD1    37 VAL  QG2     7.56                
 22 ILE  QD1    40 PHE  HN      5.04                
 22 ILE  QD1    40 PHE  HA      6.53                
 22 ILE  QD1    40 PHE  HB2     6.53                
 22 ILE  QD1    40 PHE  HB3     6.53                
 22 ILE  QD1    40 PHE  QD      8.65                
 22 ILE  QD1    41 GLU- HN      6.53                
 22 ILE  QD1    53 ILE  QG2     7.56                
 22 ILE  QD1    53 ILE  QD1     7.56                
 22 ILE  QD1    67 ILE  QG2     8.97                
 22 ILE  QD1    67 ILE  QD1     8.97                
 23 CYS  HN     24 ASN  HN      2.93                
 23 CYS  HN     24 ASN  QB      5.42                
 23 CYS  HN     25 ALA  HN      5.50                
 23 CYS  HA     53 ILE  QG2     6.53                
 23 CYS  HB2    64 PRO  HB2     7.25                
 23 CYS  HB2    64 PRO  HB2     5.50                
 23 CYS  HB2    64 PRO  HB3     7.25                
 23 CYS  HB2    64 PRO  HD2     7.25                
 23 CYS  HB2    64 PRO  HD2     5.50                
 23 CYS  HB2    64 PRO  HD3     5.50                
 23 CYS  HB2    64 PRO  HD3     7.25                
 23 CYS  HB3    64 PRO  HB2     5.50                
 23 CYS  HB3    64 PRO  HB2     7.25                
 23 CYS  HB3    64 PRO  HB3     7.25                
 23 CYS  HB3    64 PRO  HD2     7.25                
 23 CYS  HB3    64 PRO  HD2     5.50                
 23 CYS  HB3    64 PRO  HD3     7.25                
 23 CYS  QB     64 PRO  QB      6.32                
 23 CYS  QB     64 PRO  QG      7.25                
 23 CYS  QB     64 PRO  QD      5.86                
 24 ASN  HN     24 ASN  HB2     3.36                
 24 ASN  HN     24 ASN  HB3     3.36                
 24 ASN  HN     24 ASN  QB      3.17                
 24 ASN  HN     25 ALA  HN      2.83                
 24 ASN  HN     25 ALA  QB      5.81                
 24 ASN  HN     26 ASP- HN      4.04                
 24 ASN  HN     26 ASP- QB      5.29                
 24 ASN  HN     33 LEU  QQD     6.33                
 24 ASN  HA     25 ALA  QB      6.53                
 24 ASN  HB2    26 ASP- HB2     5.70                
 24 ASN  HB2    26 ASP- HB3     5.70                
 24 ASN  HB3    26 ASP- HB2     5.70                
 24 ASN  HB3    26 ASP- HB3     5.70                
 24 ASN  QB     26 ASP- QB      4.70                
 25 ALA  HN     26 ASP- HN      2.49                
 25 ALA  HN     26 ASP- HB2     4.20                
 25 ALA  HN     26 ASP- HB3     4.20                
 25 ALA  HA     26 ASP- HN      2.99                
 25 ALA  HA     26 ASP- HA      4.91                
 25 ALA  HA     27 THR  HN      3.86                
 25 ALA  HA     27 THR  QG2     6.53                
 25 ALA  HA     33 LEU  HG      2.74                
 25 ALA  HA     33 LEU  QD1     6.53                
 25 ALA  HA     33 LEU  QD2     6.53                
 25 ALA  QB     26 ASP- HA      6.53                
 25 ALA  QB     27 THR  HN      6.40                
 25 ALA  QB     33 LEU  QQD     9.13                
 26 ASP- HN     26 ASP- HB2     2.74                
 26 ASP- HN     26 ASP- HB3     2.74                
 26 ASP- HN     27 THR  HN      3.48                
 26 ASP- HN     27 THR  QG2     5.75                
 26 ASP- HA     26 ASP- HB2     2.71                
 26 ASP- HA     26 ASP- QB      2.48                
 26 ASP- HA     27 THR  HN      3.10                
 26 ASP- HA     27 THR  HA      4.79                
 26 ASP- HB2    27 THR  HN      3.95                
 26 ASP- HB3    27 THR  HN      3.95                
 26 ASP- QB     27 THR  HN      3.68                
 26 ASP- QB     27 THR  HB      6.38                
 26 ASP- QB     27 THR  QG2     7.40                
 27 THR  HN     27 THR  QG2     4.30                
 27 THR  HN     29 SER  HN      4.38                
 27 THR  HN     33 LEU  QD1     6.53                
 27 THR  HN     33 LEU  QD2     6.53                
 27 THR  HA     27 THR  HB      2.59                
 27 THR  HA     29 SER  HN      4.07                
 27 THR  HA     32 GLU- QB      3.93                
 27 THR  HA     36 LEU  QQD     8.10                
 27 THR  HB     28 SER  QB      5.11                
 27 THR  HB     32 GLU- HB2     3.36                
 27 THR  HB     32 GLU- HB3     3.36                
 27 THR  HB     32 GLU- QB      2.79                
 27 THR  HB     32 GLU- HG2     4.20                
 27 THR  HB     32 GLU- HG3     4.20                
 27 THR  HB     32 GLU- QG      3.80                
 27 THR  HB     33 LEU  HA      4.57                
 27 THR  HB     36 LEU  QD1     6.53                
 27 THR  HB     36 LEU  QD2     6.53                
 27 THR  QG2    28 SER  QB      7.40                
 27 THR  QG2    29 SER  HN      4.79                
 27 THR  QG2    32 GLU- HB2     6.53                
 27 THR  QG2    32 GLU- HB3     6.53                
 27 THR  QG2    32 GLU- HG2     6.53                
 27 THR  QG2    32 GLU- HG3     6.53                
 27 THR  QG2    33 LEU  HA      6.53                
 27 THR  QG2    33 LEU  HB2     6.53                
 27 THR  QG2    33 LEU  HB3     6.53                
 27 THR  QG2    33 LEU  HG      6.53                
 27 THR  QG2    33 LEU  QQD     9.13                
 27 THR  QG2    36 LEU  HG      6.53                
 28 SER  HN     29 SER  HN      4.69                
 28 SER  HA     28 SER  HB2     2.56                
 28 SER  HA     28 SER  HB3     2.56                
 28 SER  HA     28 SER  QB      2.32                
 28 SER  HA     29 SER  HN      3.36                
 28 SER  HB2    29 SER  HN      4.01                
 28 SER  HB3    29 SER  HN      4.01                
 28 SER  QB     29 SER  HN      3.79                
 29 SER  HN     30 GLU- HN      4.42                
 29 SER  HN     30 GLU- HA      4.51                
 29 SER  HN     31 GLU- HN      4.72                
 29 SER  HN     31 GLU- QB      4.45                
 29 SER  HN     32 GLU- HN      4.11                
 29 SER  HN     32 GLU- QB      3.87                
 29 SER  HN     32 GLU- QG      6.38                
 29 SER  HA     29 SER  HB2     2.59                
 29 SER  HA     29 SER  HB3     2.59                
 29 SER  HA     30 GLU- HN      3.14                
 29 SER  HA     31 GLU- HN      4.66                
 29 SER  HB2    30 GLU- HN      4.85                
 29 SER  HB3    30 GLU- HN      4.85                
 29 SER  QB     30 GLU- HN      4.42                
 29 SER  QB     31 GLU- HN      5.17                
 30 GLU- HN     31 GLU- HN      3.11                
 30 GLU- HN     31 GLU- HB2     5.31                
 30 GLU- HN     31 GLU- HB3     5.31                
 30 GLU- HN     31 GLU- QB      4.85                
 30 GLU- HN     32 GLU- HN      5.50                
 30 GLU- HN     33 LEU  HN      5.25                
 30 GLU- HN     33 LEU  QB      4.58                
 30 GLU- HA     31 GLU- HN      3.61                
 30 GLU- QB     31 GLU- HN      3.65                
 31 GLU- HN     31 GLU- HA      2.77                
 31 GLU- HN     31 GLU- HB2     3.02                
 31 GLU- HN     31 GLU- HB3     3.02                
 31 GLU- HN     31 GLU- QB      2.67                
 31 GLU- HN     31 GLU- QG      4.08                
 31 GLU- HN     32 GLU- HN      3.21                
 31 GLU- HN     32 GLU- QB      4.61                
 31 GLU- HN     33 LEU  HN      4.14                
 31 GLU- HN     33 LEU  HG      5.16                
 31 GLU- HN     34 VAL  QQG     7.44                
 31 GLU- HA     31 GLU- HB2     2.56                
 31 GLU- HA     31 GLU- HB3     2.56                
 31 GLU- HA     33 LEU  HN      4.38                
 31 GLU- HA     34 VAL  HN      3.92                
 31 GLU- HA     34 VAL  HB      2.99                
 31 GLU- HA     34 VAL  QG1     6.53                
 31 GLU- HA     34 VAL  QG2     6.53                
 31 GLU- HA     35 LYS+ HN      4.29                
 31 GLU- HB2    32 GLU- HN      2.99                
 31 GLU- HB3    32 GLU- HN      2.99                
 31 GLU- QB     32 GLU- HN      2.58                
 31 GLU- QB     33 LEU  HN      5.01                
 31 GLU- QB     33 LEU  HG      6.38                
 31 GLU- QB     34 VAL  HN      6.38                
 31 GLU- QG     32 GLU- HN      5.14                
 31 GLU- QG     33 LEU  QQD     8.97                
 31 GLU- O      35 LYS+ HN      2.30                
 32 GLU- HN     32 GLU- HG2     4.11                
 32 GLU- HN     32 GLU- HG3     4.11                
 32 GLU- HN     32 GLU- QG      3.75                
 32 GLU- HN     33 LEU  HN      3.24                
 32 GLU- HN     34 VAL  HN      5.25                
 32 GLU- HN     35 LYS+ HN      4.69                
 32 GLU- HA     32 GLU- HB2     2.74                
 32 GLU- HA     32 GLU- HB3     2.74                
 32 GLU- HA     32 GLU- QB      2.42                
 32 GLU- HA     32 GLU- HG2     3.58                
 32 GLU- HA     32 GLU- HG3     3.58                
 32 GLU- HA     32 GLU- QG      3.21                
 32 GLU- HA     35 LYS+ HN      3.67                
 32 GLU- HA     35 LYS+ QB      3.37                
 32 GLU- HA     35 LYS+ QG      5.66                
 32 GLU- HA     35 LYS+ QD      4.21                
 32 GLU- HA     35 LYS+ QE      6.38                
 32 GLU- HA     36 LEU  HN      3.98                
 32 GLU- HB2    36 LEU  QD1     8.28                
 32 GLU- HB2    36 LEU  QD2     8.28                
 32 GLU- HB3    36 LEU  QD1     8.28                
 32 GLU- HB3    36 LEU  QD2     8.28                
 32 GLU- QB     33 LEU  HN      4.36                
 32 GLU- QB     33 LEU  HA      4.92                
 32 GLU- QB     33 LEU  QB      6.07                
 32 GLU- QB     33 LEU  HG      4.36                
 32 GLU- QB     33 LEU  QQD     8.97                
 32 GLU- QB     35 LYS+ QD      7.04                
 32 GLU- QB     36 LEU  QQD     6.77                
 32 GLU- HG2    36 LEU  QD1     9.67                
 32 GLU- HG2    36 LEU  QD2     9.67                
 32 GLU- HG3    36 LEU  QD1     9.67                
 32 GLU- HG3    36 LEU  QD2     9.67                
 32 GLU- QG     33 LEU  HA      6.38                
 32 GLU- QG     35 LYS+ QB      7.25                
 32 GLU- QG     35 LYS+ QG      6.29                
 32 GLU- QG     35 LYS+ QD      6.20                
 32 GLU- QG     35 LYS+ QE      5.83                
 32 GLU- QG     36 LEU  QQD     8.05                
 33 LEU  HN     33 LEU  HG      4.51                
 33 LEU  HN     33 LEU  QD1     6.53                
 33 LEU  HN     33 LEU  QD2     6.53                
 33 LEU  HN     34 VAL  HN      3.36                
 33 LEU  HN     34 VAL  HB      4.79                
 33 LEU  HN     35 LYS+ HN      4.17                
 33 LEU  HN     36 LEU  HN      4.57                
 33 LEU  HN     37 VAL  QQG     8.09                
 33 LEU  HA     33 LEU  HG      3.76                
 33 LEU  HA     33 LEU  QD1     6.53                
 33 LEU  HA     33 LEU  QD2     6.53                
 33 LEU  HA     36 LEU  HN      3.58                
 33 LEU  HA     37 VAL  QQG     8.09                
 33 LEU  HB2    37 VAL  QG1     9.65                
 33 LEU  HB2    37 VAL  QG2     9.65                
 33 LEU  HB3    37 VAL  QG1     9.65                
 33 LEU  HB3    37 VAL  QG2     9.65                
 33 LEU  QB     34 VAL  HN      4.86                
 33 LEU  QB     37 VAL  QQG     8.04                
 33 LEU  HG     34 VAL  HN      4.97                
 33 LEU  HG     36 LEU  QB      5.23                
 33 LEU  HG     36 LEU  QQD     8.10                
 33 LEU  HG     37 VAL  QQG     8.09                
 33 LEU  QQD    34 VAL  HA      8.10                
 33 LEU  QQD    36 LEU  QQD    10.69                
 33 LEU  QQD    53 ILE  QG2     9.13                
 33 LEU  O      37 VAL  HN      2.30                
 34 VAL  HN     34 VAL  HB      3.36                
 34 VAL  HN     34 VAL  QQG     4.19                
 34 VAL  HN     35 LYS+ HN      3.14                
 34 VAL  HN     35 LYS+ QB      4.92                
 34 VAL  HN     36 LEU  HN      4.35                
 34 VAL  HN     37 VAL  QQG     6.72                
 34 VAL  HN     37 VAL  QQG     8.09                
 34 VAL  HA     34 VAL  HB      2.80                
 34 VAL  HA     37 VAL  HN      5.50                
 34 VAL  HA     37 VAL  HN      4.51                
 34 VAL  HA     37 VAL  HB      3.73                
 34 VAL  HA     37 VAL  QG1     6.53                
 34 VAL  HA     37 VAL  QG2     6.53                
 34 VAL  HA     38 THR  HN      5.00                
 34 VAL  HB     35 LYS+ HN      3.45                
 34 VAL  HB     37 VAL  QG1     6.53                
 34 VAL  HB     37 VAL  QG2     6.53                
 34 VAL  QG1    35 LYS+ HA      6.53                
 34 VAL  QG1    37 VAL  HB      6.53                
 34 VAL  QG1    37 VAL  QG1    10.68                
 34 VAL  QG1    37 VAL  QG2    10.68                
 34 VAL  QG2    35 LYS+ HA      6.53                
 34 VAL  QG2    37 VAL  HB      6.53                
 34 VAL  QG2    37 VAL  QG1    10.68                
 34 VAL  QG2    37 VAL  QG2    10.68                
 34 VAL  QQG    35 LYS+ HN      6.17                
 34 VAL  QQG    35 LYS+ QB      8.96                
 34 VAL  QQG    35 LYS+ QG      8.96                
 34 VAL  QQG    35 LYS+ QD      8.96                
 34 VAL  QQG    36 LEU  HN      8.09                
 34 VAL  QQG    37 VAL  QQG     8.29                
 34 VAL  QQG    38 THR  HN      8.09                
 34 VAL  QQG    38 THR  HA      8.09                
 34 VAL  QQG    38 THR  HB      8.09                
 34 VAL  QQG    38 THR  QG2     9.12                
 35 LYS+ HN     35 LYS+ HG2     4.66                
 35 LYS+ HN     35 LYS+ HG3     4.66                
 35 LYS+ HN     35 LYS+ QG      4.32                
 35 LYS+ HN     35 LYS+ QG      6.38                
 35 LYS+ HN     35 LYS+ QD      5.42                
 35 LYS+ HN     36 LEU  HN      2.40                
 35 LYS+ HN     37 VAL  HN      3.52                
 35 LYS+ HN     37 VAL  QQG     7.59                
 35 LYS+ HA     35 LYS+ HG2     3.45                
 35 LYS+ HA     35 LYS+ HG3     3.45                
 35 LYS+ HA     35 LYS+ QG      3.17                
 35 LYS+ HA     35 LYS+ QD      4.52                
 35 LYS+ HA     35 LYS+ QE      6.38                
 35 LYS+ HA     36 LEU  QQD     8.10                
 35 LYS+ HA     37 VAL  QQG     7.87                
 35 LYS+ HA     38 THR  HN      3.64                
 35 LYS+ HA     38 THR  HB      2.65                
 35 LYS+ QB     35 LYS+ QE      5.89                
 35 LYS+ QB     36 LEU  HN      3.99                
 35 LYS+ QB     36 LEU  QQD     8.97                
 35 LYS+ QB     38 THR  HB      6.38                
 35 LYS+ HG2    36 LEU  HN      4.94                
 35 LYS+ HG3    36 LEU  HN      4.94                
 35 LYS+ QG     36 LEU  HN      4.40                
 35 LYS+ QG     36 LEU  QQD     8.97                
 35 LYS+ QG     37 VAL  HN      6.38                
 35 LYS+ QD     36 LEU  QD1     7.40                
 35 LYS+ QD     36 LEU  QD2     7.40                
 35 LYS+ QE     36 LEU  QQD     8.97                
 36 LEU  HN     36 LEU  HA      2.83                
 36 LEU  HN     36 LEU  HG      2.77                
 36 LEU  HN     36 LEU  HG      5.50                
 36 LEU  HN     36 LEU  QD1     6.53                
 36 LEU  HN     36 LEU  QD2     6.53                
 36 LEU  HN     36 LEU  QQD     5.12                
 36 LEU  HN     37 VAL  HN      3.02                
 36 LEU  HA     36 LEU  HG      4.23                
 36 LEU  HA     36 LEU  QD1     6.53                
 36 LEU  HA     36 LEU  QD2     6.53                
 36 LEU  HA     39 HIS  HN      4.32                
 36 LEU  HA     39 HIS  HB2     3.58                
 36 LEU  HA     39 HIS  HB3     3.58                
 36 LEU  HA     39 HIS  QB      3.39                
 36 LEU  HA     39 HIS  HD2     5.50                
 36 LEU  HA     40 PHE  HN      5.07                
 36 LEU  HB2    37 VAL  HN      5.50                
 36 LEU  HB2    37 VAL  HA      4.69                
 36 LEU  HB3    37 VAL  HN      5.50                
 36 LEU  HB3    37 VAL  HA      4.69                
 36 LEU  QD1    39 HIS  HB2     6.53                
 36 LEU  QD1    39 HIS  HB3     6.53                
 36 LEU  QD2    39 HIS  HB2     6.53                
 36 LEU  QD2    39 HIS  HB3     6.53                
 36 LEU  QQD    38 THR  HN      8.10                
 36 LEU  QQD    39 HIS  HN      6.70                
 36 LEU  QQD    39 HIS  HA      8.10                
 36 LEU  QQD    39 HIS  HD2     8.10                
 36 LEU  QQD    40 PHE  HN      7.69                
 36 LEU  O      40 PHE  HN      2.30                
 37 VAL  HN     37 VAL  HB      3.36                
 37 VAL  HN     38 THR  HN      3.73                
 37 VAL  HA     40 PHE  HN      4.01                
 37 VAL  HA     40 PHE  HN      4.04                
 37 VAL  HA     40 PHE  HB2     4.66                
 37 VAL  HA     40 PHE  HB3     4.66                
 37 VAL  HA     40 PHE  QB      4.30                
 37 VAL  HA     40 PHE  QD      7.62                
 37 VAL  HB     38 THR  HN      4.60                
 37 VAL  QG1    40 PHE  HB2     9.65                
 37 VAL  QG1    40 PHE  HB3     9.65                
 37 VAL  QG1    53 ILE  QG2     7.56                
 37 VAL  QG1    53 ILE  QD1     7.56                
 37 VAL  QG1    54 TYR  HE2     6.53                
 37 VAL  QG1    54 TYR  HD2     6.53                
 37 VAL  QG2    40 PHE  HB2     9.65                
 37 VAL  QG2    40 PHE  HB3     9.65                
 37 VAL  QG2    53 ILE  QG2     7.56                
 37 VAL  QG2    53 ILE  QD1     7.56                
 37 VAL  QG2    54 TYR  HE2     6.53                
 37 VAL  QG2    54 TYR  HD2     6.53                
 37 VAL  QQG    38 THR  HB      8.09                
 37 VAL  QQG    38 THR  QG2     9.12                
 37 VAL  QQG    40 PHE  QB      5.90                
 37 VAL  QQG    40 PHE  QB      7.47                
 37 VAL  QQG    41 GLU- QB      8.96                
 37 VAL  QQG    54 TYR  HE1     8.09                
 38 THR  HN     38 THR  HB      3.76                
 38 THR  HN     39 HIS  HN      3.27                
 38 THR  HN     40 PHE  HN      3.92                
 38 THR  HA     38 THR  HB      2.56                
 38 THR  HA     41 GLU- HN      3.86                
 38 THR  HA     41 GLU- HA      4.82                
 38 THR  HA     41 GLU- HB2     4.14                
 38 THR  HA     41 GLU- HB3     4.14                
 38 THR  HA     41 GLU- QB      3.53                
 38 THR  HA     41 GLU- HG2     5.50                
 38 THR  HA     41 GLU- HG3     5.50                
 38 THR  HA     41 GLU- QG      4.77                
 38 THR  HA     42 GLU- HN      4.48                
 38 THR  HB     39 HIS  HN      3.42                
 38 THR  HB     41 GLU- QG      6.13                
 38 THR  QG2    39 HIS  HN      4.88                
 38 THR  QG2    39 HIS  HA      6.53                
 38 THR  QG2    42 GLU- HN      5.44                
 38 THR  QG2    42 GLU- HA      6.53                
 38 THR  QG2    42 GLU- HA      6.53                
 38 THR  QG2    42 GLU- HB2     6.53                
 38 THR  QG2    42 GLU- HB3     6.53                
 38 THR  QG2    42 GLU- QG      7.40                
 39 HIS  HN     40 PHE  HN      3.42                
 39 HIS  HN     41 GLU- HN      4.85                
 39 HIS  HA     39 HIS  HB2     2.87                
 39 HIS  HA     39 HIS  HB3     2.87                
 39 HIS  HA     39 HIS  QB      2.66                
 39 HIS  HA     39 HIS  HD2     5.31                
 39 HIS  HA     42 GLU- HN      3.61                
 39 HIS  HA     42 GLU- HB2     3.11                
 39 HIS  HA     42 GLU- HB3     3.11                
 39 HIS  HA     42 GLU- QB      2.92                
 39 HIS  HA     42 GLU- HG3     4.20                
 39 HIS  HA     42 GLU- QG      4.45                
 39 HIS  HA     43 MET  QE      6.53                
 39 HIS  HB2    40 PHE  HN      5.50                
 39 HIS  HB3    40 PHE  HN      5.50                
 39 HIS  QB     40 PHE  HN      4.86                
 39 HIS  HE1    43 MET  QE      6.53                
 39 HIS  O      43 MET  HN      2.30                
 40 PHE  HN     41 GLU- HN      4.01                
 40 PHE  HN     42 GLU- HN      4.76                
 40 PHE  HN     42 GLU- QB      5.42                
 40 PHE  HN     43 MET  QB      5.94                
 40 PHE  HB2    41 GLU- HB2     7.25                
 40 PHE  HB2    41 GLU- HB3     7.25                
 40 PHE  HB2    41 GLU- HG2     7.19                
 40 PHE  HB2    41 GLU- HG3     7.19                
 40 PHE  HB3    41 GLU- HB2     7.25                
 40 PHE  HB3    41 GLU- HB3     7.25                
 40 PHE  HB3    41 GLU- HG2     7.19                
 40 PHE  HB3    41 GLU- HG3     7.19                
 40 PHE  QB     41 GLU- HA      4.98                
 40 PHE  QB     41 GLU- QB      6.24                
 40 PHE  QB     41 GLU- QG      5.62                
 40 PHE  QB     53 ILE  HB      7.25                
 40 PHE  QB     53 ILE  QG2     7.40                
 40 PHE  QB     71 VAL  QQG     8.96                
 40 PHE  QB     71 VAL  QQG     8.96                
 40 PHE  QD     41 GLU- HA      7.22                
 40 PHE  QD     41 GLU- HB2     7.62                
 40 PHE  QD     41 GLU- HB3     7.62                
 40 PHE  QD     41 GLU- HG2     7.62                
 40 PHE  QD     41 GLU- HG3     7.62                
 40 PHE  QD     43 MET  HA      7.62                
 40 PHE  QD     43 MET  HB2     7.62                
 40 PHE  QD     43 MET  HB3     7.62                
 40 PHE  QD     44 THR  HA      7.62                
 40 PHE  QD     44 THR  HB      7.62                
 40 PHE  QD     44 THR  QG2     8.65                
 40 PHE  QD     52 LEU  HB2     7.62                
 40 PHE  QD     52 LEU  HB3     7.62                
 40 PHE  QD     52 LEU  QD1     8.65                
 40 PHE  QD     52 LEU  QD2     8.65                
 40 PHE  QD     53 ILE  QG2     8.65                
 40 PHE  QD     53 ILE  QG1     8.50                
 40 PHE  QD     53 ILE  QD1     8.65                
 40 PHE  QD     67 ILE  QD1     8.65                
 40 PHE  QD     71 VAL  HB      7.62                
 40 PHE  QD     71 VAL  QG1     8.65                
 40 PHE  QD     71 VAL  QG2     8.65                
 40 PHE  QE     41 GLU- HA      7.62                
 40 PHE  QE     41 GLU- HG2     7.62                
 40 PHE  QE     41 GLU- HG3     7.62                
 40 PHE  QE     52 LEU  HB2     7.62                
 40 PHE  QE     52 LEU  HB3     7.62                
 40 PHE  QE     52 LEU  QD1     8.65                
 40 PHE  QE     52 LEU  QD2     8.65                
 40 PHE  QE     53 ILE  QG1     7.41                
 40 PHE  QE     53 ILE  QD1     8.65                
 40 PHE  QE     67 ILE  QG2     8.65                
 40 PHE  QE     71 VAL  QG1     8.65                
 40 PHE  QE     71 VAL  QG2     8.65                
 41 GLU- HN     41 GLU- HG2     5.50                
 41 GLU- HN     41 GLU- HG3     5.50                
 41 GLU- HN     41 GLU- QG      4.97                
 41 GLU- HN     42 GLU- HN      3.02                
 41 GLU- HN     44 THR  QG2     5.60                
 41 GLU- HA     41 GLU- HB2     2.74                
 41 GLU- HA     41 GLU- HB3     2.74                
 41 GLU- HA     41 GLU- HG2     3.39                
 41 GLU- HA     41 GLU- HG3     3.39                
 41 GLU- HA     41 GLU- QG      3.14                
 41 GLU- HA     42 GLU- HA      4.82                
 41 GLU- HA     44 THR  HN      5.25                
 41 GLU- HA     44 THR  QG2     6.53                
 41 GLU- HA     49 GLY  HA1     4.82                
 41 GLU- HA     49 GLY  HA2     4.82                
 41 GLU- HA     49 GLY  QA      4.39                
 41 GLU- HB2    49 GLY  HA1     5.80                
 41 GLU- HB2    49 GLY  HA2     5.80                
 41 GLU- HB3    49 GLY  HA1     5.80                
 41 GLU- HB3    49 GLY  HA2     5.80                
 41 GLU- QB     42 GLU- HN      4.02                
 41 GLU- QB     42 GLU- HN      4.24                
 41 GLU- QB     42 GLU- HA      5.32                
 41 GLU- QB     49 GLY  QA      4.59                
 41 GLU- QB     53 ILE  QG1     7.25                
 41 GLU- HG2    49 GLY  HA1     5.44                
 41 GLU- HG2    49 GLY  HA2     5.44                
 41 GLU- HG2    53 ILE  HG12    7.25                
 41 GLU- HG2    53 ILE  HG13    7.25                
 41 GLU- HG3    49 GLY  HA1     5.44                
 41 GLU- HG3    49 GLY  HA2     5.44                
 41 GLU- HG3    53 ILE  HG12    7.25                
 41 GLU- HG3    53 ILE  HG13    7.25                
 41 GLU- QG     49 GLY  QA      4.54                
 41 GLU- QG     53 ILE  QG1     5.74                
 42 GLU- HN     42 GLU- HB2     2.80                
 42 GLU- HN     42 GLU- HB3     2.80                
 42 GLU- HN     42 GLU- QG      4.76                
 42 GLU- HN     43 MET  HN      3.76                
 42 GLU- HN     43 MET  HB2     5.50                
 42 GLU- HN     43 MET  HB3     5.50                
 42 GLU- HN     43 MET  QB      4.84                
 42 GLU- HA     42 GLU- HB2     2.56                
 42 GLU- HA     42 GLU- HB3     3.00                
 42 GLU- HA     42 GLU- QG      5.00                
 42 GLU- HB2    43 MET  HN      3.83                
 42 GLU- HB3    43 MET  HN      3.83                
 42 GLU- QB     42 GLU- QG      2.36                
 42 GLU- QB     43 MET  HN      3.65                
 42 GLU- QB     43 MET  HA      4.39                
 42 GLU- QB     43 MET  QE      7.40                
 42 GLU- QB     44 THR  HN      6.22                
 42 GLU- QG     43 MET  HA      5.63                
 42 GLU- QG     43 MET  QG      6.51                
 42 GLU- QG     43 MET  QE      7.40                
 43 MET  HN     43 MET  QB      3.60                
 43 MET  HN     43 MET  QG      5.97                
 43 MET  HN     44 THR  HN      3.52                
 43 MET  HN     44 THR  QG2     6.53                
 43 MET  HN     45 GLU- HN      4.72                
 43 MET  HA     43 MET  QE      6.12                
 43 MET  HA     44 THR  QG2     6.53                
 43 MET  HB2    43 MET  QE      6.53                
 43 MET  HB3    43 MET  QE      6.53                
 43 MET  QB     44 THR  HB      6.38                
 43 MET  QB     44 THR  QG2     7.40                
 43 MET  QB     45 GLU- HN      5.63                
 43 MET  QG     44 THR  HA      6.38                
 43 MET  QG     44 THR  QG2     7.40                
 44 THR  HN     44 THR  HB      3.83                
 44 THR  HN     44 THR  QG2     4.05                
 44 THR  HN     45 GLU- HN      3.52                
 44 THR  HN     45 GLU- HA      5.50                
 44 THR  HA     44 THR  HB      2.87                
 44 THR  HA     71 VAL  QG1     6.53                
 44 THR  HA     71 VAL  QG2     6.53                
 44 THR  HA     75 ARG+ QD      5.82                
 44 THR  HB     46 HIS  HB2     5.50                
 44 THR  HB     46 HIS  HB3     5.50                
 44 THR  HB     46 HIS  QB      4.84                
 44 THR  HB     52 LEU  QQD     8.10                
 44 THR  HB     71 VAL  QG1     6.53                
 44 THR  HB     71 VAL  QG2     6.53                
 44 THR  HB     75 ARG+ HD2     4.40                
 44 THR  QG2    45 GLU- HN      5.72                
 44 THR  QG2    46 HIS  HN      5.54                
 44 THR  QG2    46 HIS  HD1     6.40                
 44 THR  QG2    52 LEU  QQD     9.13                
 44 THR  QG2    71 VAL  QQG     9.12                
 45 GLU- HN     45 GLU- QG      5.07                
 45 GLU- HN     46 HIS  HN      3.39                
 45 GLU- HA     45 GLU- HB2     2.93                
 45 GLU- HA     45 GLU- HB3     2.93                
 45 GLU- HA     45 GLU- HG2     3.45                
 45 GLU- HA     45 GLU- HG3     3.45                
 45 GLU- HA     45 GLU- QG      3.28                
 45 GLU- HA     74 TRP  HZ3     5.41                
 45 GLU- HB2    74 TRP  HZ3     5.50                
 45 GLU- HB2    80 LYS+ HE2     7.25                
 45 GLU- HB2    80 LYS+ HE3     7.25                
 45 GLU- HB3    74 TRP  HZ3     5.50                
 45 GLU- HB3    80 LYS+ HE2     7.25                
 45 GLU- HB3    80 LYS+ HE3     7.25                
 45 GLU- QB     80 LYS+ QD      7.25                
 46 HIS  HN     52 LEU  QQD     7.73                
 46 HIS  HA     47 PRO  QG      5.71                
 46 HIS  HA     74 TRP  HZ3     5.50                
 46 HIS  HB2    52 LEU  QD1     6.53                
 46 HIS  HB2    52 LEU  QD2     6.53                
 46 HIS  HB2    71 VAL  QG1     9.65                
 46 HIS  HB2    71 VAL  QG2     9.65                
 46 HIS  HB3    52 LEU  QD1     6.53                
 46 HIS  HB3    52 LEU  QD2     6.53                
 46 HIS  HB3    71 VAL  QG1     9.65                
 46 HIS  HB3    71 VAL  QG2     9.65                
 46 HIS  QB     49 GLY  HN      5.35                
 46 HIS  QB     71 VAL  QQG     8.04                
 46 HIS  HD1    71 VAL  QQG     7.78                
 46 HIS  HD2    47 PRO  QD      6.38                
 46 HIS  HD2    52 LEU  QD1     6.53                
 46 HIS  HD2    52 LEU  QD2     6.53                
 46 HIS  HD2    71 VAL  HA      4.23                
 46 HIS  HD2    71 VAL  HB      5.50                
 46 HIS  HD2    71 VAL  QG1     6.53                
 46 HIS  HD2    71 VAL  QG2     6.53                
 46 HIS  HD2    74 TRP  HA      4.85                
 46 HIS  HD2    74 TRP  HB2     4.63                
 46 HIS  HD2    74 TRP  HB3     4.63                
 46 HIS  HD2    74 TRP  QB      4.45                
 46 HIS  HD2    74 TRP  HD1     5.50                
 46 HIS  HD2    74 TRP  HE3     5.50                
 46 HIS  HE1    47 PRO  HG2     5.50                
 46 HIS  HE1    47 PRO  HG3     5.50                
 46 HIS  HE1    47 PRO  QD      6.38                
 46 HIS  HE1    48 SER  HA      5.50                
 46 HIS  HE1    48 SER  QB      5.66                
 46 HIS  HE1    52 LEU  HA      5.50                
 46 HIS  HE1    52 LEU  HG      4.69                
 46 HIS  HE1    52 LEU  QD1     6.53                
 46 HIS  HE1    52 LEU  QD2     6.53                
 47 PRO  HA     48 SER  HA      4.51                
 47 PRO  HA     49 GLY  HN      4.88                
 47 PRO  HB2    48 SER  HN      4.57                
 47 PRO  HB3    48 SER  HN      4.57                
 47 PRO  QB     48 SER  HN      4.27                
 47 PRO  QB     48 SER  HA      6.19                
 47 PRO  QB     49 GLY  HN      5.26                
 47 PRO  QB     74 TRP  HE1     5.63                
 47 PRO  HG2    74 TRP  HD1     4.85                
 47 PRO  HG2    74 TRP  HZ3     5.50                
 47 PRO  HG3    74 TRP  HD1     4.85                
 47 PRO  HG3    74 TRP  HZ3     5.50                
 47 PRO  QG     48 SER  HA      6.38                
 47 PRO  QG     74 TRP  HD1     4.44                
 47 PRO  QG     74 TRP  HE1     6.38                
 47 PRO  HD2    74 TRP  HD1     5.16                
 47 PRO  HD2    74 TRP  HE3     4.38                
 47 PRO  HD2    74 TRP  HZ3     4.57                
 47 PRO  HD3    74 TRP  HD1     5.16                
 47 PRO  HD3    74 TRP  HE3     4.38                
 47 PRO  HD3    74 TRP  HZ3     4.57                
 47 PRO  QD     52 LEU  QQD     8.97                
 47 PRO  QD     74 TRP  HD1     4.71                
 47 PRO  QD     74 TRP  HE3     4.05                
 47 PRO  QD     74 TRP  HE1     6.38                
 47 PRO  QD     74 TRP  HZ3     4.31                
 48 SER  HN     48 SER  QB      3.58                
 48 SER  HN     49 GLY  HN      3.24                
 48 SER  HN     52 LEU  HG      5.22                
 48 SER  HN     52 LEU  QQD     6.80                
 48 SER  HA     48 SER  HB2     2.90                
 48 SER  HA     48 SER  HB3     2.90                
 48 SER  HA     49 GLY  QA      5.29                
 48 SER  HA     51 ASP- HB2     4.51                
 48 SER  HA     51 ASP- HB3     4.51                
 48 SER  HA     51 ASP- QB      4.03                
 48 SER  HA     52 LEU  QD1     6.53                
 48 SER  HA     52 LEU  QD2     6.53                
 48 SER  HB2    51 ASP- HB2     6.57                
 48 SER  HB2    51 ASP- HB3     6.57                
 48 SER  HB2    52 LEU  QD1     8.28                
 48 SER  HB2    52 LEU  QD2     8.28                
 48 SER  HB3    51 ASP- HB2     6.57                
 48 SER  HB3    51 ASP- HB3     6.57                
 48 SER  HB3    52 LEU  QD1     8.28                
 48 SER  HB3    52 LEU  QD2     8.28                
 48 SER  QB     51 ASP- QB      5.44                
 48 SER  QB     52 LEU  HG      6.38                
 48 SER  QB     52 LEU  QQD     7.24                
 49 GLY  HN     50 SER  HN      3.61                
 49 GLY  HN     51 ASP- HN      4.51                
 49 GLY  HN     52 LEU  HN      4.76                
 49 GLY  HN     52 LEU  QQD     6.89                
 50 SER  HN     51 ASP- HN      3.58                
 50 SER  HN     52 LEU  HN      4.88                
 50 SER  HN     53 ILE  QG1     6.38                
 51 ASP- HN     51 ASP- HB2     3.67                
 51 ASP- HN     51 ASP- HB3     3.67                
 51 ASP- HN     52 LEU  HN      3.11                
 51 ASP- HN     52 LEU  HA      4.26                
 51 ASP- HN     52 LEU  QQD     6.76                
 51 ASP- HN     53 ILE  HN      5.19                
 51 ASP- HA     54 TYR  HN      5.50                
 51 ASP- HA     55 TYR  HN      5.50                
 51 ASP- HA     55 TYR  HN      4.17                
 51 ASP- HA     55 TYR  QB      5.04                
 51 ASP- HA     55 TYR  QD      6.77                
 51 ASP- QB     52 LEU  HA      4.89                
 51 ASP- QB     55 TYR  QD      8.52                
 52 LEU  HN     52 LEU  HB2     3.86                
 52 LEU  HN     52 LEU  HB3     3.86                
 52 LEU  HN     52 LEU  QB      3.60                
 52 LEU  HN     52 LEU  HG      4.88                
 52 LEU  HN     52 LEU  HG      4.01                
 52 LEU  HN     52 LEU  QD1     6.53                
 52 LEU  HN     52 LEU  QD2     6.53                
 52 LEU  HN     52 LEU  QQD     5.31                
 52 LEU  HN     53 ILE  HN      3.52                
 52 LEU  HN     53 ILE  HG12    5.50                
 52 LEU  HN     53 ILE  HG13    5.50                
 52 LEU  HN     53 ILE  QD1     6.19                
 52 LEU  HN     54 TYR  HN      4.76                
 52 LEU  HA     52 LEU  HG      3.90                
 52 LEU  HA     52 LEU  QD1     5.78                
 52 LEU  HA     52 LEU  QD2     5.78                
 52 LEU  HA     53 ILE  HA      4.57                
 52 LEU  HA     53 ILE  QG1     6.38                
 52 LEU  HA     54 TYR  HN      4.76                
 52 LEU  HA     56 PRO  HA      5.22                
 52 LEU  HA     62 ASP- HA      4.69                
 52 LEU  HB2    53 ILE  HG12    7.25                
 52 LEU  HB2    53 ILE  HG13    7.25                
 52 LEU  HB3    53 ILE  HG12    7.25                
 52 LEU  HB3    53 ILE  HG13    7.25                
 52 LEU  QB     53 ILE  HN      6.38                
 52 LEU  QB     53 ILE  QG1     5.55                
 52 LEU  QB     53 ILE  QD1     7.40                
 52 LEU  HG     53 ILE  QD1     6.53                
 52 LEU  QD1    53 ILE  HA      6.53                
 52 LEU  QD1    53 ILE  QG2     7.56                
 52 LEU  QD1    53 ILE  HG12    8.28                
 52 LEU  QD1    53 ILE  HG13    8.28                
 52 LEU  QD1    53 ILE  QD1     7.56                
 52 LEU  QD1    70 THR  HB      6.53                
 52 LEU  QD1    70 THR  QG2     7.56                
 52 LEU  QD1    70 THR  QG2     6.25                
 52 LEU  QD1    71 VAL  HA      6.53                
 52 LEU  QD1    71 VAL  HB      6.53                
 52 LEU  QD1    71 VAL  QG1     7.56                
 52 LEU  QD1    71 VAL  QG2     7.56                
 52 LEU  QD2    53 ILE  HA      6.53                
 52 LEU  QD2    53 ILE  HG12    8.28                
 52 LEU  QD2    53 ILE  HG13    8.28                
 52 LEU  QD2    53 ILE  QD1     7.56                
 52 LEU  QD2    70 THR  HB      6.53                
 52 LEU  QD2    70 THR  QG2     6.25                
 52 LEU  QD2    70 THR  QG2     7.56                
 52 LEU  QD2    71 VAL  HA      6.53                
 52 LEU  QD2    71 VAL  HB      6.53                
 52 LEU  QD2    71 VAL  QG1     7.56                
 52 LEU  QD2    71 VAL  QG2     7.56                
 52 LEU  QQD    53 ILE  HN      6.89                
 52 LEU  QQD    53 ILE  HB      8.10                
 52 LEU  QQD    53 ILE  QG1     6.77                
 52 LEU  QQD    54 TYR  HN      7.82                
 52 LEU  QQD    67 ILE  QG1     8.97                
 52 LEU  QQD    68 VAL  QQG    10.69                
 52 LEU  QQD    70 THR  HN      7.94                
 52 LEU  QQD    70 THR  QG2     5.20                
 52 LEU  QQD    70 THR  QG2     7.33                
 52 LEU  QQD    71 VAL  HN      7.88                
 53 ILE  HN     53 ILE  HB      4.04                
 53 ILE  HN     53 ILE  QG2     4.45                
 53 ILE  HN     53 ILE  HG12    5.50                
 53 ILE  HN     53 ILE  HG12    5.50                
 53 ILE  HN     53 ILE  HG13    5.50                
 53 ILE  HN     53 ILE  HG13    5.50                
 53 ILE  HN     53 ILE  QG1     5.20                
 53 ILE  HN     53 ILE  QD1     6.53                
 53 ILE  HN     54 TYR  HN      3.48                
 53 ILE  HN     54 TYR  HA      5.50                
 53 ILE  HN     55 TYR  HN      3.98                
 53 ILE  HN     56 PRO  QD      6.38                
 53 ILE  HA     53 ILE  HG12    3.70                
 53 ILE  HA     53 ILE  HG13    3.70                
 53 ILE  HA     53 ILE  QG1     3.47                
 53 ILE  HA     67 ILE  QG2     6.53                
 53 ILE  HA     67 ILE  QG1     6.38                
 53 ILE  HA     67 ILE  QD1     6.09                
 53 ILE  HB     54 TYR  HN      5.50                
 53 ILE  HB     54 TYR  HD1     5.50                
 53 ILE  HB     54 TYR  HE2     5.34                
 53 ILE  HB     54 TYR  HD2     5.50                
 53 ILE  HB     67 ILE  QD1     6.53                
 53 ILE  QG2    54 TYR  HN      6.06                
 53 ILE  QG2    54 TYR  HN      6.53                
 53 ILE  QG2    54 TYR  HA      6.53                
 53 ILE  QG2    54 TYR  HD1     6.53                
 53 ILE  QG2    54 TYR  HE1     6.53                
 53 ILE  QG2    54 TYR  HE2     6.53                
 53 ILE  QG2    54 TYR  HD2     6.53                
 53 ILE  QG2    55 TYR  HN      6.53                
 53 ILE  QG2    67 ILE  HB      6.53                
 53 ILE  QG2    67 ILE  QG2     7.56                
 53 ILE  QG2    67 ILE  QG1     7.40                
 53 ILE  QG2    67 ILE  QD1     7.56                
 53 ILE  QG1    67 ILE  QG2     7.40                
 53 ILE  QG1    67 ILE  QD1     7.40                
 53 ILE  QD1    54 TYR  HD1     6.53                
 53 ILE  QD1    54 TYR  HE1     6.53                
 53 ILE  QD1    54 TYR  HE2     6.53                
 53 ILE  QD1    67 ILE  HB      6.53                
 53 ILE  QD1    67 ILE  QG2     7.56                
 53 ILE  QD1    67 ILE  QG1     7.40                
 53 ILE  QD1    67 ILE  QD1     7.56                
 53 ILE  QD1    68 VAL  HA      6.47                
 53 ILE  QD1    68 VAL  HA      6.53                
 54 TYR  HN     55 TYR  HN      3.45                
 54 TYR  HN     56 PRO  QD      6.38                
 54 TYR  HA     54 TYR  HD1     4.38                
 54 TYR  HA     54 TYR  HE1     5.50                
 54 TYR  HA     54 TYR  HD2     5.50                
 54 TYR  HA     56 PRO  QD      6.38                
 54 TYR  QB     55 TYR  QB      7.25                
 54 TYR  QB     56 PRO  QG      6.79                
 54 TYR  QB     57 LYS+ QB      7.25                
 55 TYR  HN     56 PRO  HD2     5.50                
 55 TYR  HN     56 PRO  HD3     5.50                
 55 TYR  HN     56 PRO  QD      5.32                
 55 TYR  HA     56 PRO  QG      5.71                
 55 TYR  QB     56 PRO  QB      6.89                
 56 PRO  HA     57 LYS+ HN      2.77                
 56 PRO  HA     57 LYS+ QB      4.70                
 56 PRO  HA     60 ASP- HB2     4.85                
 56 PRO  HA     60 ASP- HB3     4.85                
 56 PRO  HA     60 ASP- QB      4.32                
 56 PRO  HB2    60 ASP- HB2     6.51                
 56 PRO  HB2    60 ASP- HB3     6.51                
 56 PRO  HB3    60 ASP- HB2     6.51                
 56 PRO  HB3    60 ASP- HB3     6.51                
 56 PRO  QB     60 ASP- QB      5.73                
 56 PRO  QB     62 ASP- QB      7.25                
 56 PRO  HG2    62 ASP- HA      5.50                
 56 PRO  HG2    62 ASP- HB2     7.25                
 56 PRO  HG2    62 ASP- HB3     7.25                
 56 PRO  HG3    62 ASP- HA      5.50                
 56 PRO  HG3    62 ASP- HB2     7.25                
 56 PRO  HG3    62 ASP- HB3     7.25                
 56 PRO  QG     60 ASP- QB      5.58                
 56 PRO  QG     62 ASP- HA      5.15                
 56 PRO  QG     62 ASP- QB      5.71                
 57 LYS+ HN     57 LYS+ QG      5.04                
 57 LYS+ HN     58 GLU- HN      2.93                
 57 LYS+ HN     58 GLU- QB      6.04                
 57 LYS+ HN     58 GLU- QG      6.38                
 57 LYS+ HN     60 ASP- HN      5.07                
 57 LYS+ HN     60 ASP- HB2     4.72                
 57 LYS+ HN     60 ASP- HB3     4.72                
 57 LYS+ HN     60 ASP- QB      4.58                
 57 LYS+ HN     62 ASP- QB      6.38                
 57 LYS+ HA     57 LYS+ QD      4.36                
 57 LYS+ HA     57 LYS+ QE      6.38                
 57 LYS+ HA     58 GLU- HN      3.27                
 57 LYS+ QB     57 LYS+ QE      6.97                
 57 LYS+ QB     58 GLU- HN      4.11                
 57 LYS+ QB     58 GLU- HB2     6.38                
 57 LYS+ QB     58 GLU- HB3     6.38                
 57 LYS+ QB     58 GLU- QG      7.25                
 57 LYS+ QB     60 ASP- HN      5.42                
 57 LYS+ QB     60 ASP- HB2     6.38                
 57 LYS+ QB     60 ASP- HB3     6.38                
 57 LYS+ QG     58 GLU- HN      5.76                
 57 LYS+ QG     58 GLU- QB      7.25                
 57 LYS+ QG     60 ASP- HN      5.35                
 57 LYS+ QE     58 GLU- HN      6.38                
 58 GLU- HN     58 GLU- HB2     2.99                
 58 GLU- HN     58 GLU- HB3     2.99                
 58 GLU- HN     58 GLU- QG      5.32                
 58 GLU- HN     59 GLY  HN      4.04                
 58 GLU- HN     60 ASP- HN      4.48                
 58 GLU- HA     58 GLU- HB2     2.71                
 58 GLU- HA     58 GLU- HB3     2.71                
 58 GLU- HA     58 GLU- QB      2.41                
 58 GLU- HA     58 GLU- QG      3.28                
 58 GLU- HA     59 GLY  HN      2.71                
 58 GLU- HA     59 GLY  QA      5.17                
 58 GLU- HA     60 ASP- HN      3.64                
 58 GLU- HB2    59 GLY  HN      3.89                
 58 GLU- HB2    60 ASP- HB2     7.25                
 58 GLU- HB2    60 ASP- HB3     7.25                
 58 GLU- HB3    59 GLY  HN      3.89                
 58 GLU- HB3    60 ASP- HB2     7.25                
 58 GLU- HB3    60 ASP- HB3     7.25                
 58 GLU- QB     59 GLY  HN      3.56                
 58 GLU- QB     60 ASP- HN      4.55                
 58 GLU- QB     60 ASP- QB      5.68                
 58 GLU- QG     59 GLY  HN      4.95                
 58 GLU- QG     59 GLY  HA1     6.38                
 58 GLU- QG     59 GLY  HA2     6.38                
 58 GLU- QG     59 GLY  QA      5.76                
 58 GLU- QG     60 ASP- HN      6.31                
 59 GLY  HN     60 ASP- HN      3.27                
 60 ASP- HN     60 ASP- HB2     3.76                
 60 ASP- HN     60 ASP- HB3     3.76                
 60 ASP- HN     60 ASP- QB      3.60                
 60 ASP- HN     61 ASP- HN      4.04                
 60 ASP- HA     60 ASP- HB2     2.99                
 60 ASP- HA     60 ASP- HB3     2.99                
 60 ASP- HA     60 ASP- QB      2.75                
 60 ASP- HA     61 ASP- HN      2.80                
 60 ASP- HA     61 ASP- HA      4.17                
 61 ASP- HN     61 ASP- HB2     3.27                
 61 ASP- HN     61 ASP- HB3     3.27                
 61 ASP- HN     61 ASP- QB      3.02                
 61 ASP- HN     62 ASP- HN      4.38                
 61 ASP- HN     62 ASP- QB      6.16                
 61 ASP- HA     61 ASP- HB2     2.71                
 61 ASP- HA     61 ASP- HB3     2.71                
 61 ASP- HA     62 ASP- HN      2.77                
 61 ASP- HA     66 GLY  QA      6.16                
 61 ASP- HB2    66 GLY  HA1     5.04                
 61 ASP- HB2    66 GLY  HA2     5.04                
 61 ASP- HB3    66 GLY  HA1     5.04                
 61 ASP- HB3    66 GLY  HA2     5.04                
 61 ASP- QB     66 GLY  QA      4.23                
 62 ASP- HN     63 SER  HN      2.93                
 62 ASP- HN     63 SER  HA      4.72                
 62 ASP- HA     62 ASP- HB2     2.80                
 62 ASP- HA     62 ASP- HB3     2.80                
 62 ASP- HA     63 SER  HN      3.64                
 62 ASP- HA     67 ILE  HA      3.02                
 62 ASP- HA     67 ILE  HB      4.23                
 62 ASP- HA     67 ILE  QG2     6.53                
 62 ASP- HA     67 ILE  HG12    5.38                
 62 ASP- HA     67 ILE  HG13    5.38                
 62 ASP- HA     67 ILE  QG1     4.94                
 62 ASP- HA     67 ILE  QD1     6.53                
 62 ASP- HB2    67 ILE  QD1     6.53                
 62 ASP- HB3    67 ILE  QD1     6.53                
 63 SER  HN     63 SER  QB      3.92                
 63 SER  HN     64 PRO  QD      5.79                
 63 SER  HN     67 ILE  HN      4.48                
 63 SER  HA     64 PRO  QD      3.80                
 63 SER  HA     65 SER  HN      4.38                
 63 SER  HB2    64 PRO  HD2     4.32                
 63 SER  HB2    64 PRO  HD3     4.32                
 63 SER  HB2    65 SER  HB2     6.63                
 63 SER  HB2    65 SER  HB3     6.63                
 63 SER  HB3    64 PRO  HD2     4.32                
 63 SER  HB3    64 PRO  HD3     4.32                
 63 SER  HB3    65 SER  HB2     6.63                
 63 SER  HB3    65 SER  HB3     6.63                
 63 SER  QB     64 PRO  QD      3.84                
 63 SER  QB     65 SER  QB      5.31                
 64 PRO  HA     67 ILE  HN      4.72                
 64 PRO  HA     67 ILE  HB      5.41                
 64 PRO  HA     67 ILE  QG2     6.53                
 64 PRO  HA     67 ILE  QG1     6.38                
 64 PRO  HA     67 ILE  QD1     6.53                
 64 PRO  HA     68 VAL  QQG     6.48                
 64 PRO  HB2    65 SER  HN      4.11                
 64 PRO  HB3    65 SER  HN      4.11                
 64 PRO  QB     65 SER  HN      3.84                
 64 PRO  HD2    65 SER  HN      4.04                
 64 PRO  HD3    65 SER  HN      4.04                
 64 PRO  QD     65 SER  HN      3.49                
 65 SER  HN     65 SER  HB2     3.42                
 65 SER  HN     65 SER  HB3     3.42                
 65 SER  HN     65 SER  QB      3.03                
 65 SER  HN     66 GLY  HN      2.71                
 65 SER  HN     67 ILE  HN      4.42                
 65 SER  HN     67 ILE  QG2     6.53                
 65 SER  HN     67 ILE  QG1     5.04                
 65 SER  HN     68 VAL  QQG     8.09                
 65 SER  HA     65 SER  HB2     2.49                
 65 SER  HA     65 SER  HB3     2.49                
 65 SER  HA     66 GLY  QA      4.89                
 65 SER  HA     68 VAL  HN      3.33                
 65 SER  HA     68 VAL  HB      3.02                
 65 SER  HA     68 VAL  QG1     6.53                
 65 SER  HA     68 VAL  QG2     6.53                
 65 SER  HA     69 ASN  QB      5.35                
 65 SER  QB     66 GLY  HN      3.62                
 65 SER  QB     68 VAL  HB      5.26                
 65 SER  O      69 ASN  HN      2.30                
 66 GLY  HN     67 ILE  HN      3.52                
 66 GLY  HN     67 ILE  QG2     6.31                
 66 GLY  HN     67 ILE  QD1     6.53                
 66 GLY  HN     68 VAL  HN      4.07                
 66 GLY  HN     68 VAL  QQG     8.09                
 66 GLY  HN     69 ASN  HN      5.22                
 66 GLY  HN     69 ASN  QB      4.49                
 66 GLY  HA1    69 ASN  HB2     4.01                
 66 GLY  HA1    69 ASN  HB3     4.01                
 66 GLY  HA2    69 ASN  HB2     4.01                
 66 GLY  HA2    69 ASN  HB3     4.01                
 66 GLY  QA     69 ASN  QB      3.47                
 67 ILE  HN     67 ILE  QG2     4.26                
 67 ILE  HN     67 ILE  QG1     5.01                
 67 ILE  HN     67 ILE  QD1     4.64                
 67 ILE  HN     68 VAL  HN      3.11                
 67 ILE  HN     68 VAL  QQG     8.09                
 67 ILE  HA     67 ILE  QG1     3.91                
 67 ILE  HA     68 VAL  HN      3.45                
 67 ILE  HA     68 VAL  HA      5.50                
 67 ILE  HA     68 VAL  HA      5.50                
 67 ILE  HA     68 VAL  QQG     8.09                
 67 ILE  HA     69 ASN  HN      3.76                
 67 ILE  HA     70 THR  HN      3.45                
 67 ILE  HA     70 THR  HB      3.02                
 67 ILE  HA     71 VAL  HN      5.47                
 67 ILE  HA     71 VAL  QQG     8.09                
 67 ILE  HB     68 VAL  HN      3.76                
 67 ILE  HB     68 VAL  HN      5.50                
 67 ILE  HB     68 VAL  HA      3.98                
 67 ILE  HB     68 VAL  QG2     6.53                
 67 ILE  HB     71 VAL  QQG     8.09                
 67 ILE  QG2    68 VAL  HN      5.13                
 67 ILE  QG2    68 VAL  HA      6.53                
 67 ILE  QG2    68 VAL  QG2     7.56                
 67 ILE  QG2    70 THR  HN      6.09                
 67 ILE  QG2    70 THR  HB      6.53                
 67 ILE  QG2    70 THR  QG2     7.56                
 67 ILE  QG2    71 VAL  QQG     9.12                
 67 ILE  HG12   68 VAL  QG1     8.00                
 67 ILE  HG12   68 VAL  QG2     8.00                
 67 ILE  HG13   68 VAL  QG1     8.00                
 67 ILE  HG13   68 VAL  QG2     8.00                
 67 ILE  QG1    68 VAL  HN      4.05                
 67 ILE  QG1    68 VAL  HA      4.61                
 67 ILE  QG1    68 VAL  HB      4.73                
 67 ILE  QG1    68 VAL  QQG     6.78                
 67 ILE  QG1    70 THR  HB      6.38                
 67 ILE  QD1    68 VAL  HN      5.41                
 67 ILE  QD1    68 VAL  HA      6.53                
 67 ILE  QD1    68 VAL  QG1     7.56                
 67 ILE  QD1    68 VAL  QG2     7.56                
 67 ILE  QD1    68 VAL  QQG     7.33                
 68 VAL  HN     68 VAL  HB      3.08                
 68 VAL  HN     68 VAL  QQG     3.99                
 68 VAL  HN     69 ASN  HN      3.30                
 68 VAL  HN     69 ASN  HA      5.10                
 68 VAL  HN     69 ASN  QB      4.64                
 68 VAL  HA     70 THR  HN      4.76                
 68 VAL  HA     71 VAL  HN      3.52                
 68 VAL  HA     71 VAL  HN      3.61                
 68 VAL  HA     71 VAL  HB      3.02                
 68 VAL  HA     71 VAL  QG1     6.53                
 68 VAL  HA     71 VAL  QG2     6.53                
 68 VAL  HA     72 LYS+ HN      4.26                
 68 VAL  HA     83 PHE  QE      7.62                
 68 VAL  HA     83 PHE  HZ      5.50                
 68 VAL  HB     69 ASN  HN      3.24                
 68 VAL  HB     69 ASN  QB      6.38                
 68 VAL  QG1    69 ASN  HD21    9.65                
 68 VAL  QG1    69 ASN  HD22    9.65                
 68 VAL  QG1    71 VAL  QG1    10.68                
 68 VAL  QG1    71 VAL  QG2    10.68                
 68 VAL  QG1    72 LYS+ HG2     9.65                
 68 VAL  QG1    72 LYS+ HG3     9.65                
 68 VAL  QG1    83 PHE  QE      8.65                
 68 VAL  QG2    69 ASN  HD21    9.65                
 68 VAL  QG2    69 ASN  HD22    9.65                
 68 VAL  QG2    71 VAL  QG1    10.68                
 68 VAL  QG2    71 VAL  QG2    10.68                
 68 VAL  QG2    72 LYS+ HG2     9.65                
 68 VAL  QG2    72 LYS+ HG3     9.65                
 68 VAL  QG2    83 PHE  QE      8.65                
 68 VAL  QQG    69 ASN  HN      5.52                
 68 VAL  QQG    69 ASN  HA      8.09                
 68 VAL  QQG    69 ASN  QB      8.96                
 68 VAL  QQG    69 ASN  QD2     7.69                
 68 VAL  QQG    70 THR  HN      7.72                
 68 VAL  QQG    71 VAL  HN      8.09                
 68 VAL  QQG    71 VAL  HN      6.26                
 68 VAL  QQG    71 VAL  HB      8.09                
 68 VAL  QQG    71 VAL  QQG     8.98                
 68 VAL  QQG    72 LYS+ HN      7.56                
 68 VAL  QQG    72 LYS+ QB      8.96                
 68 VAL  QQG    72 LYS+ QG      8.04                
 68 VAL  QQG    72 LYS+ QE      8.96                
 68 VAL  QQG    83 PHE  QD     10.21                
 68 VAL  QQG    83 PHE  HZ      8.09                
 68 VAL  O      72 LYS+ HN      2.30                
 69 ASN  HN     69 ASN  QB      3.31                
 69 ASN  HN     69 ASN  QD2     6.37                
 69 ASN  HN     70 THR  HN      2.93                
 69 ASN  HN     71 VAL  HN      5.44                
 69 ASN  HN     72 LYS+ HN      4.35                
 69 ASN  HA     69 ASN  HB2     2.62                
 69 ASN  HA     69 ASN  HB3     2.62                
 69 ASN  HA     69 ASN  QB      2.38                
 69 ASN  HA     72 LYS+ HN      5.50                
 69 ASN  HA     72 LYS+ HN      3.58                
 69 ASN  HA     72 LYS+ HA      4.54                
 69 ASN  HA     72 LYS+ QB      3.83                
 69 ASN  HA     72 LYS+ HG2     5.50                
 69 ASN  HA     72 LYS+ HG3     5.50                
 69 ASN  HA     72 LYS+ QG      4.85                
 69 ASN  HA     72 LYS+ QD      4.55                
 69 ASN  HA     72 LYS+ QD      4.55                
 69 ASN  HA     72 LYS+ QE      5.11                
 69 ASN  HA     73 GLN  HN      4.63                
 69 ASN  HB2    73 GLN  HG2     7.25                
 69 ASN  HB2    73 GLN  HG3     7.25                
 69 ASN  HB3    70 THR  HA      4.07                
 69 ASN  HB3    73 GLN  HG2     7.25                
 69 ASN  HB3    73 GLN  HG3     7.25                
 69 ASN  QB     70 THR  HN      3.68                
 69 ASN  QB     70 THR  HA      4.18                
 69 ASN  QB     72 LYS+ QB      6.85                
 69 ASN  QB     72 LYS+ QD      7.25                
 69 ASN  QB     73 GLN  QG      5.68                
 70 THR  HN     70 THR  HB      3.02                
 70 THR  HN     70 THR  QG2     4.67                
 70 THR  HN     71 VAL  HN      3.33                
 70 THR  HN     71 VAL  HB      4.54                
 70 THR  HN     72 LYS+ HN      4.38                
 70 THR  HN     72 LYS+ QB      5.48                
 70 THR  HA     70 THR  HB      3.02                
 70 THR  HA     71 VAL  HN      3.48                
 70 THR  HA     73 GLN  QB      4.08                
 70 THR  HA     73 GLN  HG2     5.50                
 70 THR  HA     73 GLN  HG3     5.50                
 70 THR  HA     73 GLN  QG      4.71                
 70 THR  HB     71 VAL  HN      3.55                
 70 THR  HB     71 VAL  HA      5.28                
 70 THR  HB     71 VAL  HB      5.50                
 70 THR  HB     71 VAL  QG1     6.53                
 70 THR  HB     71 VAL  QG2     6.53                
 70 THR  QG2    71 VAL  HN      6.53                
 70 THR  QG2    71 VAL  QQG     9.12                
 70 THR  QG2    73 GLN  QB      7.40                
 70 THR  QG2    73 GLN  QG      7.40                
 70 THR  QG2    73 GLN  QG      7.40                
 70 THR  QG2    74 TRP  HN      6.53                
 70 THR  QG2    74 TRP  QB      7.40                
 70 THR  O      74 TRP  HN      2.30                
 71 VAL  HN     71 VAL  HB      3.21                
 71 VAL  HN     71 VAL  QG1     4.36                
 71 VAL  HN     71 VAL  QG2     4.36                
 71 VAL  HN     71 VAL  QQG     3.67                
 71 VAL  HN     72 LYS+ HN      2.83                
 71 VAL  HN     72 LYS+ QB      5.04                
 71 VAL  HA     73 GLN  HN      4.23                
 71 VAL  HA     74 TRP  HN      3.86                
 71 VAL  HB     72 LYS+ HN      5.50                
 71 VAL  HB     72 LYS+ HN      3.52                
 71 VAL  HB     72 LYS+ QG      6.38                
 71 VAL  QG1    72 LYS+ HN      6.53                
 71 VAL  QG1    72 LYS+ HN      4.70                
 71 VAL  QG1    72 LYS+ HD2     9.65                
 71 VAL  QG1    72 LYS+ HD3     9.65                
 71 VAL  QG1    73 GLN  HN      6.00                
 71 VAL  QG1    74 TRP  HB2     8.28                
 71 VAL  QG1    74 TRP  HB3     8.28                
 71 VAL  QG1    83 PHE  QE      8.65                
 71 VAL  QG2    72 LYS+ HN      6.53                
 71 VAL  QG2    72 LYS+ HN      4.70                
 71 VAL  QG2    72 LYS+ HD2     9.65                
 71 VAL  QG2    72 LYS+ HD3     9.65                
 71 VAL  QG2    73 GLN  HN      6.00                
 71 VAL  QG2    74 TRP  HB2     8.28                
 71 VAL  QG2    74 TRP  HB3     8.28                
 71 VAL  QG2    83 PHE  QE      8.65                
 71 VAL  QQG    72 LYS+ HN      4.32                
 71 VAL  QQG    72 LYS+ HA      8.09                
 71 VAL  QQG    72 LYS+ QB      8.96                
 71 VAL  QQG    72 LYS+ QG      8.96                
 71 VAL  QQG    72 LYS+ QD      8.04                
 71 VAL  QQG    73 GLN  HN      5.54                
 71 VAL  QQG    73 GLN  QB      8.96                
 71 VAL  QQG    74 TRP  QB      7.24                
 71 VAL  QQG    74 TRP  HE3     8.09                
 71 VAL  QQG    74 TRP  HZ3     8.09                
 71 VAL  QQG    75 ARG+ HN      8.09                
 71 VAL  QQG    75 ARG+ HA      8.09                
 71 VAL  QQG    75 ARG+ QD      8.96                
 71 VAL  O      75 ARG+ HN      2.30                
 72 LYS+ HN     72 LYS+ HG2     5.50                
 72 LYS+ HN     72 LYS+ HG2     4.76                
 72 LYS+ HN     72 LYS+ HG3     5.50                
 72 LYS+ HN     72 LYS+ HG3     4.76                
 72 LYS+ HN     72 LYS+ QG      4.34                
 72 LYS+ HN     72 LYS+ QD      6.38                
 72 LYS+ HN     72 LYS+ QE      6.38                
 72 LYS+ HN     73 GLN  HN      2.83                
 72 LYS+ HA     72 LYS+ HG2     3.24                
 72 LYS+ HA     72 LYS+ HG3     3.02                
 72 LYS+ HA     72 LYS+ QG      2.76                
 72 LYS+ HA     72 LYS+ HD2     2.77                
 72 LYS+ HA     72 LYS+ HD3     2.77                
 72 LYS+ HA     72 LYS+ QE      6.38                
 72 LYS+ HA     73 GLN  HN      3.05                
 72 LYS+ HA     75 ARG+ HN      4.45                
 72 LYS+ HA     75 ARG+ QB      3.28                
 72 LYS+ HA     76 ALA  HN      4.17                
 72 LYS+ HA     83 PHE  QE      7.62                
 72 LYS+ QB     72 LYS+ QE      7.25                
 72 LYS+ QB     73 GLN  HN      3.83                
 72 LYS+ QB     73 GLN  QB      7.25                
 72 LYS+ QB     73 GLN  QE2     7.24                
 72 LYS+ QB     83 PHE  QE      8.50                
 72 LYS+ HG2    76 ALA  QB      6.53                
 72 LYS+ HG2    83 PHE  QD      7.62                
 72 LYS+ HG2    83 PHE  QE      7.50                
 72 LYS+ HG3    76 ALA  QB      6.53                
 72 LYS+ HG3    83 PHE  QD      7.62                
 72 LYS+ HG3    83 PHE  QE      7.50                
 72 LYS+ QG     72 LYS+ QD      2.45                
 72 LYS+ QG     73 GLN  HN      5.48                
 72 LYS+ QG     73 GLN  HA      6.38                
 72 LYS+ QG     73 GLN  QE2     7.15                
 72 LYS+ QG     83 PHE  QE      6.75                
 72 LYS+ QG     83 PHE  HZ      6.38                
 72 LYS+ QD     73 GLN  HN      5.73                
 72 LYS+ QD     83 PHE  QD      7.75                
 72 LYS+ QD     83 PHE  QD      7.75                
 72 LYS+ QD     83 PHE  QE      6.79                
 72 LYS+ QD     83 PHE  HZ      6.38                
 72 LYS+ QE     83 PHE  QD      8.50                
 72 LYS+ QE     83 PHE  QE      8.50                
 73 GLN  HN     73 GLN  HA      2.77                
 73 GLN  HN     73 GLN  QB      3.93                
 73 GLN  HN     73 GLN  HG2     3.58                
 73 GLN  HN     73 GLN  HG3     3.58                
 73 GLN  HN     73 GLN  QG      3.31                
 73 GLN  HN     73 GLN  QE2     4.94                
 73 GLN  HN     74 TRP  HN      2.56                
 73 GLN  HN     76 ALA  QB      5.04                
 73 GLN  HA     73 GLN  HG2     2.99                
 73 GLN  HA     73 GLN  HG3     2.99                
 73 GLN  HA     73 GLN  QG      2.76                
 73 GLN  HA     75 ARG+ HN      5.50                
 73 GLN  HA     76 ALA  HN      3.36                
 73 GLN  HA     76 ALA  QB      6.31                
 73 GLN  HA     77 ALA  HN      5.00                
 73 GLN  HA     77 ALA  QB      6.53                
 73 GLN  QB     76 ALA  QB      7.40                
 73 GLN  QB     77 ALA  QB      7.40                
 73 GLN  HG2    76 ALA  QB      6.53                
 73 GLN  HG3    76 ALA  QB      6.53                
 73 GLN  QG     74 TRP  HN      6.38                
 73 GLN  QG     77 ALA  QB      7.40                
 74 TRP  HN     75 ARG+ HN      3.67                
 74 TRP  HN     76 ALA  HN      3.86                
 74 TRP  HN     77 ALA  HN      4.54                
 74 TRP  HA     74 TRP  HB2     2.80                
 74 TRP  HA     74 TRP  HB3     2.80                
 74 TRP  HA     74 TRP  HD1     2.99                
 74 TRP  HA     74 TRP  HE3     5.50                
 74 TRP  HA     74 TRP  HE1     5.50                
 74 TRP  HA     77 ALA  HN      3.61                
 74 TRP  HA     77 ALA  QB      6.53                
 74 TRP  HA     78 ASN  HN      3.73                
 74 TRP  HB2    77 ALA  QB      6.53                
 74 TRP  HB3    77 ALA  QB      6.53                
 74 TRP  QB     75 ARG+ HN      6.38                
 74 TRP  QB     75 ARG+ HN      5.01                
 74 TRP  HD1    77 ALA  QB      6.53                
 74 TRP  HE3    75 ARG+ HA      4.14                
 74 TRP  HE3    80 LYS+ HD2     5.50                
 74 TRP  HE3    80 LYS+ HD3     5.50                
 74 TRP  HE3    80 LYS+ HE2     4.88                
 74 TRP  HE3    80 LYS+ HE3     4.88                
 74 TRP  HE3    80 LYS+ QE      4.56                
 74 TRP  HE1    78 ASN  QB      6.19                
 74 TRP  HZ3    75 ARG+ HA      5.07                
 74 TRP  HZ3    80 LYS+ QG      6.38                
 74 TRP  HZ3    80 LYS+ HD2     3.98                
 74 TRP  HZ3    80 LYS+ HD3     3.98                
 74 TRP  HZ3    80 LYS+ HE2     3.36                
 74 TRP  HZ3    80 LYS+ HE3     3.36                
 74 TRP  HZ3    80 LYS+ QE      3.00                
 75 ARG+ HN     76 ALA  HN      3.64                
 75 ARG+ HN     76 ALA  QB      6.31                
 75 ARG+ HA     75 ARG+ QG      3.84                
 75 ARG+ HA     75 ARG+ HD2     5.50                
 75 ARG+ HA     75 ARG+ HD3     5.50                
 75 ARG+ HA     75 ARG+ QD      4.97                
 75 ARG+ HA     76 ALA  HA      5.50                
 75 ARG+ HA     77 ALA  QB      6.53                
 75 ARG+ HA     78 ASN  HB2     3.92                
 75 ARG+ HA     78 ASN  HB3     3.92                
 75 ARG+ HA     78 ASN  QB      3.65                
 75 ARG+ HA     80 LYS+ HN      4.32                
 75 ARG+ HA     80 LYS+ HA      4.11                
 75 ARG+ HA     80 LYS+ HB2     4.29                
 75 ARG+ HA     80 LYS+ HB3     4.29                
 75 ARG+ HA     80 LYS+ QB      3.98                
 75 ARG+ HA     80 LYS+ QG      6.38                
 75 ARG+ HA     80 LYS+ HD2     4.11                
 75 ARG+ HA     80 LYS+ HD3     4.11                
 75 ARG+ HA     80 LYS+ QD      3.72                
 75 ARG+ HA     80 LYS+ HE2     5.50                
 75 ARG+ HA     80 LYS+ HE3     5.50                
 75 ARG+ QG     80 LYS+ QD      7.25                
 75 ARG+ QD     80 LYS+ HA      6.38                
 76 ALA  HN     77 ALA  HN      2.83                
 76 ALA  HN     77 ALA  QB      5.10                
 76 ALA  HN     78 ASN  HN      4.88                
 76 ALA  HN     78 ASN  QB      4.64                
 76 ALA  HA     77 ALA  HN      3.20                
 76 ALA  HA     79 GLY  HN      3.86                
 76 ALA  HA     80 LYS+ HN      3.89                
 76 ALA  QB     77 ALA  HA      6.53                
 76 ALA  QB     78 ASN  QB      7.40                
 77 ALA  HN     77 ALA  HA      2.90                
 77 ALA  HN     77 ALA  QB      3.43                
 77 ALA  HN     78 ASN  HN      2.77                
 77 ALA  HN     78 ASN  QB      6.38                
 77 ALA  HN     79 GLY  HN      2.83                
 77 ALA  HA     78 ASN  HN      3.58                
 77 ALA  HA     79 GLY  HN      3.45                
 77 ALA  QB     78 ASN  HA      6.53                
 77 ALA  QB     79 GLY  HN      5.16                
 78 ASN  HN     78 ASN  HB2     3.45                
 78 ASN  HN     78 ASN  HB3     3.45                
 78 ASN  HN     78 ASN  QB      3.02                
 78 ASN  HN     79 GLY  HN      2.74                
 78 ASN  HN     79 GLY  QA      6.10                
 78 ASN  HN     80 LYS+ HN      3.79                
 78 ASN  HN     80 LYS+ QG      4.80                
 78 ASN  HA     78 ASN  HB2     3.02                
 78 ASN  HA     78 ASN  HB3     3.02                
 78 ASN  HA     79 GLY  HN      3.17                
 78 ASN  HB2    79 GLY  HN      4.57                
 78 ASN  HB2    80 LYS+ HN      4.51                
 78 ASN  HB2    80 LYS+ HG2     7.25                
 78 ASN  HB2    80 LYS+ HG3     7.25                
 78 ASN  HB2    80 LYS+ HE2     7.07                
 78 ASN  HB2    80 LYS+ HE3     7.07                
 78 ASN  HB3    79 GLY  HN      4.57                
 78 ASN  HB3    80 LYS+ HN      4.51                
 78 ASN  HB3    80 LYS+ HG2     7.25                
 78 ASN  HB3    80 LYS+ HG3     7.25                
 78 ASN  HB3    80 LYS+ HE2     7.07                
 78 ASN  HB3    80 LYS+ HE3     7.07                
 78 ASN  QB     79 GLY  HN      3.97                
 78 ASN  QB     80 LYS+ HN      3.83                
 78 ASN  QB     80 LYS+ QG      6.15                
 78 ASN  QB     80 LYS+ QD      7.25                
 78 ASN  QB     80 LYS+ QE      5.84                
 79 GLY  HN     80 LYS+ HN      2.52                
 79 GLY  HN     80 LYS+ QG      5.48                
 80 LYS+ HN     80 LYS+ HA      2.83                
 80 LYS+ HN     80 LYS+ QB      3.89                
 80 LYS+ HN     80 LYS+ HG2     3.30                
 80 LYS+ HN     80 LYS+ HG3     3.30                
 80 LYS+ HN     80 LYS+ QD      6.38                
 80 LYS+ HN     81 SER  HN      3.33                
 80 LYS+ HA     80 LYS+ HB2     2.77                
 80 LYS+ HA     80 LYS+ HB3     2.77                
 80 LYS+ HA     80 LYS+ QB      2.52                
 80 LYS+ HA     80 LYS+ HG2     3.00                
 80 LYS+ HA     80 LYS+ HG3     3.50                
 80 LYS+ HA     80 LYS+ HD2     3.17                
 80 LYS+ HA     80 LYS+ HD3     3.50                
 80 LYS+ HA     80 LYS+ QD      3.02                
 80 LYS+ HA     80 LYS+ HE2     5.50                
 80 LYS+ HA     80 LYS+ HE3     5.50                
 80 LYS+ HA     80 LYS+ QE      5.02                
 80 LYS+ HA     81 SER  HN      3.33                
 80 LYS+ HB2    80 LYS+ HE2     4.45                
 80 LYS+ HB2    80 LYS+ HE3     4.45                
 80 LYS+ HB2    81 SER  HN      4.23                
 80 LYS+ HB3    80 LYS+ HE2     4.45                
 80 LYS+ HB3    80 LYS+ HE3     4.45                
 80 LYS+ HB3    81 SER  HN      4.23                
 80 LYS+ QB     80 LYS+ QE      3.36                
 80 LYS+ QB     81 SER  HN      3.89                
 80 LYS+ HG2    80 LYS+ HD2     2.80                
 80 LYS+ HG2    80 LYS+ HD3     2.80                
 80 LYS+ HG2    80 LYS+ HE2     3.79                
 80 LYS+ HG2    80 LYS+ HE3     3.79                
 80 LYS+ HG2    81 SER  HN      5.50                
 80 LYS+ HG3    80 LYS+ HD2     2.80                
 80 LYS+ HG3    80 LYS+ HD3     2.80                
 80 LYS+ HG3    80 LYS+ HE2     3.79                
 80 LYS+ HG3    80 LYS+ HE3     3.79                
 80 LYS+ HG3    81 SER  HN      5.50                
 80 LYS+ QG     80 LYS+ QD      2.32                
 80 LYS+ QG     80 LYS+ QE      3.37                
 80 LYS+ QG     81 SER  HN      5.15                
 80 LYS+ QD     81 SER  HN      6.31                
 81 SER  HN     81 SER  QB      3.61                
 81 SER  HN     82 GLY  HN      4.20                
 81 SER  HN     83 PHE  HN      5.50                
 81 SER  HA     81 SER  HB2     2.62                
 81 SER  HA     81 SER  HB3     2.62                
 81 SER  HA     81 SER  QB      2.35                
 81 SER  HA     82 GLY  HN      2.96                
 81 SER  HA     83 PHE  HN      4.07                
 81 SER  HB2    82 GLY  HN      3.11                
 81 SER  HB3    82 GLY  HN      3.11                
 81 SER  QB     83 PHE  HN      6.38                
 82 GLY  HN     83 PHE  HN      3.58                
 82 GLY  HA1    83 PHE  HN      3.55                
 82 GLY  HA2    83 PHE  HN      3.55                
 82 GLY  QA     83 PHE  HN      3.10                
 82 GLY  QA     83 PHE  QD      8.50                
 82 GLY  QA     83 PHE  QE      8.50                
 83 PHE  HN     83 PHE  HB2     3.61                
 83 PHE  HN     83 PHE  HB3     3.61                
 83 PHE  HN     83 PHE  QB      3.42                
 83 PHE  HN     84 LYS+ HN      3.98                
 83 PHE  HA     84 LYS+ HN      3.08                
 83 PHE  HB2    84 LYS+ HN      4.29                
 83 PHE  HB3    84 LYS+ HN      4.29                
 83 PHE  QB     84 LYS+ HN      3.85                
 83 PHE  QE     84 LYS+ QB      7.78                
 84 LYS+ HN     84 LYS+ QG      4.49                
 84 LYS+ HN     84 LYS+ QD      6.38                
 84 LYS+ HN     84 LYS+ QE      6.38                
 84 LYS+ HN     85 GLN  HN      3.89                
 84 LYS+ HA     84 LYS+ HB2     2.83                
 84 LYS+ HA     84 LYS+ HB3     2.83                
 84 LYS+ HA     84 LYS+ QB      2.48                
 84 LYS+ HA     84 LYS+ QD      4.27                
 84 LYS+ HA     84 LYS+ QE      6.38                
 84 LYS+ HA     85 GLN  HN      3.02                
 84 LYS+ HA     85 GLN  QG      6.38                
 84 LYS+ HB2    84 LYS+ QD      4.06                
 84 LYS+ HB2    84 LYS+ QE      5.72                
 84 LYS+ HB2    85 GLN  HN      4.01                
 84 LYS+ HB3    84 LYS+ QD      4.06                
 84 LYS+ HB3    84 LYS+ QE      5.85                
 84 LYS+ HB3    85 GLN  HN      4.01                
 84 LYS+ QB     84 LYS+ QE      5.72                
 84 LYS+ QB     85 GLN  HN      3.64                
 84 LYS+ QB     86 GLY  HN      5.23                
 84 LYS+ HG2    85 GLN  HN      4.29                
 84 LYS+ HG3    85 GLN  HN      4.29                
 84 LYS+ QG     85 GLN  HN      4.14                
 84 LYS+ QG     85 GLN  HA      6.38                
 84 LYS+ QG     85 GLN  HB2     6.38                
 84 LYS+ QG     85 GLN  HB3     6.38                
 84 LYS+ QG     85 GLN  QG      7.25                
 84 LYS+ QG     86 GLY  QA      7.25                
 84 LYS+ QD     85 GLN  HN      6.38                
 84 LYS+ QD     86 GLY  HN      6.38                
 84 LYS+ QE     85 GLN  HN      6.38                
 84 LYS+ QE     86 GLY  HN      6.38                
 84 LYS+ QE     86 GLY  QA      7.25                
 85 GLN  HN     85 GLN  HB2     3.55                
 85 GLN  HN     85 GLN  HB3     3.55                
 85 GLN  HN     85 GLN  QB      3.18                
 85 GLN  HN     85 GLN  QG      5.32                
 85 GLN  HN     86 GLY  HN      3.27                
 85 GLN  HN     86 GLY  QA      5.48                
 85 GLN  HA     85 GLN  HB2     2.40                
 85 GLN  HA     85 GLN  HB3     2.40                
 85 GLN  HA     85 GLN  QG      3.62                
 85 GLN  HA     86 GLY  HN      3.60                
 85 GLN  HB2    85 GLN  HE21    7.25                
 85 GLN  HB2    85 GLN  HE22    7.25                
 85 GLN  HB2    86 GLY  HN      3.08                
 85 GLN  HB2    86 GLY  QA      6.38                
 85 GLN  HB3    85 GLN  HE21    7.25                
 85 GLN  HB3    85 GLN  HE22    7.25                
 85 GLN  HB3    86 GLY  HN      3.08                
 85 GLN  HB3    86 GLY  QA      6.38                
 85 GLN  QB     86 GLY  HN      2.84                
 85 GLN  QB     86 GLY  QA      6.01                
 85 GLN  QG     86 GLY  HN      4.86                
 85 GLN  QG     86 GLY  QA      7.25                
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -7.979   3.013  13.413
    2    H2   MET   1           H2       MET   1  -7.919   4.641  13.212
    3    H3   MET   1           H3       MET   1  -9.258   3.804  12.670
    4    HA   MET   1           HA       MET   1  -7.883   2.636  11.113
    5   1HB   MET   1          1HB       MET   1  -8.815   4.968  10.482
    6   2HB   MET   1          2HB       MET   1  -7.168   5.580  10.784
    7   1HG   MET   1          1HG       MET   1  -7.826   4.925   8.383
    8   2HG   MET   1          2HG       MET   1  -6.261   4.439   9.019
    9   1HE   MET   1          1HE       MET   1  -9.828   3.343   7.953
   10   2HE   MET   1          2HE       MET   1  -9.821   1.587   8.202
   11   3HE   MET   1          3HE       MET   1  -9.873   2.683   9.595
   12    H    GLU   2           H        GLU   2  -5.895   1.823  10.829
   13    HA   GLU   2           HA       GLU   2  -3.824   3.008  12.596
   14   1HB   GLU   2          1HB       GLU   2  -3.516   0.332  11.270
   15   2HB   GLU   2          2HB       GLU   2  -2.738   0.986  12.705
   16   1HG   GLU   2          1HG       GLU   2  -5.517  -0.112  12.360
   17   2HG   GLU   2          2HG       GLU   2  -4.284  -0.607  13.521
   18    H    LEU   3           H        LEU   3  -1.632   2.535  11.237
   19    HA   LEU   3           HA       LEU   3  -1.772   3.418   8.695
   20   1HB   LEU   3          1HB       LEU   3  -1.225   5.345  10.903
   21   2HB   LEU   3          2HB       LEU   3  -0.091   5.421   9.543
   22    HG   LEU   3           HG       LEU   3  -3.111   5.574   9.259
   23   1HD1  LEU   3          1HD1      LEU   3  -2.270   7.606  10.412
   24   2HD1  LEU   3          2HD1      LEU   3  -1.077   7.852   9.110
   25   3HD1  LEU   3          3HD1      LEU   3  -2.808   7.988   8.760
   26   1HD2  LEU   3          1HD2      LEU   3  -1.807   4.866   7.175
   27   2HD2  LEU   3          2HD2      LEU   3  -2.743   6.353   6.981
   28   3HD2  LEU   3          3HD2      LEU   3  -0.993   6.428   7.244
   29    H    LYS   4           H        LYS   4   0.458   3.994  11.059
   30    HA   LYS   4           HA       LYS   4   2.344   2.546  11.983
   31   1HB   LYS   4          2HB       LYS   4   2.424   1.533   9.190
   32   2HB   LYS   4          1HB       LYS   4   3.456   1.088  10.540
   33   1HG   LYS   4          1HG       LYS   4   0.445   0.641  10.860
   34   2HG   LYS   4          2HG       LYS   4   1.363  -0.448   9.890
   35   1HD   LYS   4          1HD       LYS   4   2.884  -0.657  11.925
   36   2HD   LYS   4          2HD       LYS   4   1.691   0.289  12.813
   37   1HE   LYS   4          2HE       LYS   4   1.596  -2.503  11.742
   38   2HE   LYS   4          1HE       LYS   4   1.239  -1.925  13.365
   39   1HZ   LYS   4          1HZ       LYS   4  -0.458  -1.404  11.005
   40   2HZ   LYS   4          2HZ       LYS   4  -0.593  -2.723  11.955
   41   3HZ   LYS   4          3HZ       LYS   4  -0.888  -1.219  12.607
   42    H    HIS   5           H        HIS   5   4.576   2.673  10.958
   43    HA   HIS   5           HA       HIS   5   4.959   5.538  10.511
   44   1HB   HIS   5          1HB       HIS   5   6.781   5.270  12.337
   45   2HB   HIS   5          2HB       HIS   5   5.086   5.508  12.797
   46    HD1  HIS   5           HD1      HIS   5   3.935   3.529  14.216
   47    HD2  HIS   5           HD2      HIS   5   7.849   2.875  12.838
   48    HE1  HIS   5           HE1      HIS   5   4.813   1.489  15.472
   49    H    SER   6           H        SER   6   6.071   2.459  10.384
   50    HA   SER   6           HA       SER   6   7.624   3.073   8.030
   51   1HB   SER   6          1HB       SER   6   8.501   0.817   8.759
   52   2HB   SER   6          2HB       SER   6   9.153   2.382   9.305
   53    HG   SER   6           HG       SER   6   8.961   0.664  10.951
   54    H    ILE   7           H        ILE   7   7.557   1.522   6.596
   55    HA   ILE   7           HA       ILE   7   5.245  -0.092   5.989
   56    HB   ILE   7           HB       ILE   7   6.703   0.516   4.268
   57   1HG1  ILE   7          1HG1      ILE   7   7.309  -2.415   4.780
   58   2HG1  ILE   7          2HG1      ILE   7   5.711  -1.771   4.340
   59   1HG2  ILE   7          1HG2      ILE   7   8.836   0.946   5.461
   60   2HG2  ILE   7          2HG2      ILE   7   9.061  -0.819   5.667
   61   3HG2  ILE   7          3HG2      ILE   7   9.081  -0.056   4.072
   62   1HD1  ILE   7          1HD1      ILE   7   8.210  -1.437   2.681
   63   2HD1  ILE   7          2HD1      ILE   7   6.940  -2.642   2.432
   64   3HD1  ILE   7          3HD1      ILE   7   6.540  -0.909   2.292
   65    H    SER   8           H        SER   8   7.828  -0.354   8.234
   66    HA   SER   8           HA       SER   8   8.019  -3.189   8.109
   67   1HB   SER   8          2HB       SER   8  10.083  -2.763   8.345
   68   2HB   SER   8          1HB       SER   8   9.611  -1.204   7.890
   69    HG   SER   8           HG       SER   8  10.116  -2.005  10.541
   70    H    ASP   9           H        ASP   9   6.750  -0.647  10.184
   71    HA   ASP   9           HA       ASP   9   6.536  -2.602  12.342
   72   1HB   ASP   9          1HB       ASP   9   6.441  -0.200  12.889
   73   2HB   ASP   9          2HB       ASP   9   4.898  -0.059  12.076
   74    H    TYR  10           H        TYR  10   5.384  -2.776   9.229
   75    HA   TYR  10           HA       TYR  10   3.156  -4.389  10.296
   76   1HB   TYR  10          1HB       TYR  10   1.520  -3.515   8.917
   77   2HB   TYR  10          2HB       TYR  10   2.253  -2.281   9.834
   78    HD1  TYR  10           HD1      TYR  10   1.905  -3.699   6.423
   79    HD2  TYR  10           HD2      TYR  10   3.384  -0.448   8.765
   80    HE1  TYR  10           HE1      TYR  10   1.977  -2.323   4.465
   81    HE2  TYR  10           HE2      TYR  10   3.314   1.023   6.772
   82    HH   TYR  10           HH       TYR  10   2.425  -0.227   3.523
   83    H    THR  11           H        THR  11   2.264  -5.994   8.891
   84    HA   THR  11           HA       THR  11   4.509  -7.282   7.441
   85    HB   THR  11           HB       THR  11   3.842  -9.053   8.241
   86    HG1  THR  11           HG1      THR  11   2.114 -10.183   7.844
   87   1HG2  THR  11          1HG2      THR  11   2.994  -7.818  10.285
   88   2HG2  THR  11          2HG2      THR  11   1.361  -7.985   9.614
   89   3HG2  THR  11          3HG2      THR  11   2.277  -9.407  10.050
   90    H    GLU  12           H        GLU  12   3.538  -8.752   5.415
   91    HA   GLU  12           HA       GLU  12   2.367  -6.819   3.553
   92   1HB   GLU  12          1HB       GLU  12   3.621  -9.514   3.391
   93   2HB   GLU  12          2HB       GLU  12   2.277  -9.276   2.246
   94   1HG   GLU  12          1HG       GLU  12   3.244  -7.143   1.466
   95   2HG   GLU  12          2HG       GLU  12   4.293  -7.159   2.695
   96    H    ALA  13           H        ALA  13   0.984  -8.921   5.790
   97    HA   ALA  13           HA       ALA  13  -1.561  -9.186   4.150
   98   1HB   ALA  13          1HB       ALA  13  -0.997 -11.129   5.647
   99   2HB   ALA  13          3HB       ALA  13  -0.954 -10.025   7.045
  100   3HB   ALA  13          2HB       ALA  13  -2.477 -10.298   6.173
  101    H    GLU  14           H        GLU  14  -0.096  -7.575   6.869
  102    HA   GLU  14           HA       GLU  14  -2.157  -5.802   7.536
  103   1HB   GLU  14          1HB       GLU  14   0.527  -6.421   8.235
  104   2HB   GLU  14          2HB       GLU  14   0.617  -4.809   7.614
  105   1HG   GLU  14          1HG       GLU  14  -0.832  -3.893   9.125
  106   2HG   GLU  14          2HG       GLU  14  -1.556  -5.474   9.552
  107    H    PHE  15           H        PHE  15   0.489  -5.479   5.135
  108    HA   PHE  15           HA       PHE  15  -0.274  -2.853   4.229
  109   1HB   PHE  15          1HB       PHE  15   1.930  -4.260   3.702
  110   2HB   PHE  15          2HB       PHE  15   1.004  -5.058   2.494
  111    HD1  PHE  15           HD1      PHE  15   0.548  -1.330   3.109
  112    HD2  PHE  15           HD2      PHE  15   2.299  -4.389   0.624
  113    HE1  PHE  15           HE1      PHE  15   1.501   0.398   1.651
  114    HE2  PHE  15           HE2      PHE  15   3.119  -2.626  -0.911
  115    HZ   PHE  15           HZ       PHE  15   2.872  -0.237  -0.300
  116    H    LEU  16           H        LEU  16  -1.125  -6.187   3.339
  117    HA   LEU  16           HA       LEU  16  -2.295  -5.292   0.867
  118   1HB   LEU  16          1HB       LEU  16  -1.434  -7.505   1.310
  119   2HB   LEU  16          2HB       LEU  16  -2.692  -7.800   2.514
  120    HG   LEU  16           HG       LEU  16  -4.347  -8.033   0.944
  121   1HD1  LEU  16          1HD1      LEU  16  -3.827  -6.057  -0.531
  122   2HD1  LEU  16          2HD1      LEU  16  -2.594  -7.045  -1.350
  123   3HD1  LEU  16          3HD1      LEU  16  -4.334  -7.477  -1.354
  124   1HD2  LEU  16          1HD2      LEU  16  -2.370  -9.793   0.847
  125   2HD2  LEU  16          2HD2      LEU  16  -3.420  -9.812  -0.548
  126   3HD2  LEU  16          3HD2      LEU  16  -1.828  -9.011  -0.650
  127    H    GLN  17           H        GLN  17  -3.433  -5.742   4.118
  128    HA   GLN  17           HA       GLN  17  -5.995  -5.367   3.500
  129   1HB   GLN  17          1HB       GLN  17  -5.525  -6.491   5.578
  130   2HB   GLN  17          2HB       GLN  17  -4.327  -5.255   6.058
  131   1HG   GLN  17          1HG       GLN  17  -5.916  -3.664   6.519
  132   2HG   GLN  17          2HG       GLN  17  -7.220  -4.619   5.747
  133   2HE2  GLN  17          2HE2      GLN  17  -8.011  -3.707   8.049
  134   1HE2  GLN  17          1HE2      GLN  17  -7.866  -4.892   9.342
  135    H    LEU  18           H        LEU  18  -3.266  -3.327   4.196
  136    HA   LEU  18           HA       LEU  18  -4.630  -0.998   5.033
  137   1HB   LEU  18          1HB       LEU  18  -2.150  -1.552   5.353
  138   2HB   LEU  18          2HB       LEU  18  -1.919  -1.266   3.633
  139    HG   LEU  18           HG       LEU  18  -2.835   1.063   4.113
  140   1HD1  LEU  18          1HD1      LEU  18  -3.567   0.706   6.449
  141   2HD1  LEU  18          2HD1      LEU  18  -1.897   0.295   6.908
  142   3HD1  LEU  18          3HD1      LEU  18  -2.295   1.937   6.388
  143   1HD2  LEU  18          1HD2      LEU  18  -0.580   0.633   3.373
  144   2HD2  LEU  18          2HD2      LEU  18  -0.631   1.937   4.540
  145   3HD2  LEU  18          3HD2      LEU  18  -0.074   0.330   5.066
  146    H    VAL  19           H        VAL  19  -3.492  -2.297   2.042
  147    HA   VAL  19           HA       VAL  19  -3.984  -0.197  -0.071
  148    HB   VAL  19           HB       VAL  19  -3.571  -3.149   0.083
  149   1HG1  VAL  19          1HG1      VAL  19  -4.307  -1.281  -2.201
  150   2HG1  VAL  19          2HG1      VAL  19  -3.692  -2.936  -2.404
  151   3HG1  VAL  19          3HG1      VAL  19  -5.239  -2.708  -1.690
  152   1HG2  VAL  19          1HG2      VAL  19  -1.906  -0.962   0.357
  153   2HG2  VAL  19          2HG2      VAL  19  -1.407  -2.429  -0.387
  154   3HG2  VAL  19          3HG2      VAL  19  -2.028  -1.072  -1.400
  155    H    THR  20           H        THR  20  -5.720  -3.129   1.442
  156    HA   THR  20           HA       THR  20  -8.039  -2.805  -0.175
  157    HB   THR  20           HB       THR  20  -6.943  -4.902   1.253
  158    HG1  THR  20           HG1      THR  20  -9.538  -4.607   0.207
  159   1HG2  THR  20          1HG2      THR  20  -8.025  -4.266   3.393
  160   2HG2  THR  20          2HG2      THR  20  -9.587  -4.476   2.614
  161   3HG2  THR  20          3HG2      THR  20  -8.443  -5.844   2.755
  162    H    THR  21           H        THR  21  -7.170  -1.416   2.980
  163    HA   THR  21           HA       THR  21  -9.758  -0.511   3.816
  164    HB   THR  21           HB       THR  21  -6.895  -0.261   4.434
  165    HG1  THR  21           HG1      THR  21  -9.165  -0.340   6.132
  166   1HG2  THR  21          1HG2      THR  21  -8.569   2.208   5.012
  167   2HG2  THR  21          2HG2      THR  21  -7.003   1.798   5.752
  168   3HG2  THR  21          3HG2      THR  21  -7.114   2.110   4.029
  169    H    ILE  22           H        ILE  22  -7.382   0.519   1.441
  170    HA   ILE  22           HA       ILE  22  -8.571   3.190   1.104
  171    HB   ILE  22           HB       ILE  22  -6.563   2.123  -0.877
  172   1HG1  ILE  22          1HG1      ILE  22  -5.981   2.549   2.034
  173   2HG1  ILE  22          2HG1      ILE  22  -5.329   1.391   0.849
  174   1HG2  ILE  22          1HG2      ILE  22  -7.693   4.366  -0.992
  175   2HG2  ILE  22          2HG2      ILE  22  -6.825   4.817   0.500
  176   3HG2  ILE  22          3HG2      ILE  22  -5.933   4.389  -0.987
  177   1HD1  ILE  22          1HD1      ILE  22  -3.977   3.152  -0.148
  178   2HD1  ILE  22          2HD1      ILE  22  -4.680   4.285   1.027
  179   3HD1  ILE  22          3HD1      ILE  22  -3.666   2.956   1.609
  180    H    CYS  23           H        CYS  23  -8.032   0.232  -0.880
  181    HA   CYS  23           HA       CYS  23 -10.062   0.812  -2.790
  182   1HB   CYS  23          2HB       CYS  23  -9.257  -2.016  -1.910
  183   2HB   CYS  23          1HB       CYS  23  -9.974  -1.487  -3.405
  184    HG   CYS  23           HG       CYS  23  -7.937   0.009  -4.213
  185    H    ASN  24           H        ASN  24 -10.298   0.297   0.598
  186    HA   ASN  24           HA       ASN  24 -13.262  -0.289   0.116
  187   1HB   ASN  24          1HB       ASN  24 -12.240  -1.969   1.490
  188   2HB   ASN  24          2HB       ASN  24 -11.819  -0.772   2.711
  189   2HD2  ASN  24          2HD2      ASN  24 -13.402  -0.985   4.548
  190   1HD2  ASN  24          1HD2      ASN  24 -15.056  -1.286   4.151
  191    H    ALA  25           H        ALA  25 -11.246   2.316   1.381
  192    HA   ALA  25           HA       ALA  25 -11.795   4.423   2.150
  193   1HB   ALA  25          1HB       ALA  25 -14.468   3.843   0.718
  194   2HB   ALA  25          3HB       ALA  25 -14.018   5.403   1.376
  195   3HB   ALA  25          2HB       ALA  25 -13.071   4.703   0.042
  196    H    ASP  26           H        ASP  26 -11.999   2.140   3.504
  197    HA   ASP  26           HA       ASP  26 -13.737   1.471   5.499
  198   1HB   ASP  26          1HB       ASP  26 -11.856   0.546   4.383
  199   2HB   ASP  26          2HB       ASP  26 -10.762   1.484   5.371
  200    H    THR  27           H        THR  27 -12.682   4.260   5.178
  201    HA   THR  27           HA       THR  27 -11.422   5.039   7.751
  202    HB   THR  27           HB       THR  27 -10.011   6.375   6.556
  203    HG1  THR  27           HG1      THR  27 -11.894   6.227   4.430
  204   1HG2  THR  27          1HG2      THR  27  -9.461   4.113   5.918
  205   2HG2  THR  27          2HG2      THR  27 -10.545   4.197   4.506
  206   3HG2  THR  27          3HG2      THR  27  -9.156   5.255   4.599
  207    H    SER  28           H        SER  28 -11.271   7.501   7.952
  208    HA   SER  28           HA       SER  28 -13.582   8.794   8.679
  209   1HB   SER  28          1HB       SER  28 -12.316  10.870   8.302
  210   2HB   SER  28          2HB       SER  28 -11.413   9.567   9.181
  211    HG   SER  28           HG       SER  28 -10.114  10.634   7.695
  212    H    SER  29           H        SER  29 -12.472   8.260   5.590
  213    HA   SER  29           HA       SER  29 -14.221   7.562   4.065
  214   1HB   SER  29          1HB       SER  29 -15.634   9.706   4.829
  215   2HB   SER  29          2HB       SER  29 -16.201   8.535   3.665
  216    HG   SER  29           HG       SER  29 -15.431   7.348   6.030
  217    H    GLU  30           H        GLU  30 -12.380  10.096   4.091
  218    HA   GLU  30           HA       GLU  30 -12.183   9.771   1.403
  219   1HB   GLU  30          1HB       GLU  30 -14.028  11.551   1.341
  220   2HB   GLU  30          2HB       GLU  30 -12.987  12.624   2.258
  221   1HG   GLU  30          1HG       GLU  30 -11.512  12.881   0.269
  222   2HG   GLU  30          2HG       GLU  30 -12.563  11.782  -0.636
  223    H    GLU  31           H        GLU  31 -11.101  10.837   4.199
  224    HA   GLU  31           HA       GLU  31  -8.933  12.423   3.518
  225   1HB   GLU  31          1HB       GLU  31 -10.918  12.613   4.953
  226   2HB   GLU  31          2HB       GLU  31 -10.123  11.507   5.699
  227   1HG   GLU  31          1HG       GLU  31  -8.611  13.971   5.450
  228   2HG   GLU  31          2HG       GLU  31  -9.982  13.890   6.611
  229    H    GLU  32           H        GLU  32  -9.332  10.213   5.831
  230    HA   GLU  32           HA       GLU  32  -6.776   9.062   6.320
  231   1HB   GLU  32          1HB       GLU  32  -9.447   8.203   6.398
  232   2HB   GLU  32          2HB       GLU  32  -8.139   6.955   6.450
  233   1HG   GLU  32          1HG       GLU  32  -7.202   7.918   8.301
  234   2HG   GLU  32          2HG       GLU  32  -8.446   9.243   8.306
  235    H    LEU  33           H        LEU  33  -9.173   8.639   3.742
  236    HA   LEU  33           HA       LEU  33  -7.944   6.525   2.413
  237   1HB   LEU  33          1HB       LEU  33  -9.843   8.753   1.757
  238   2HB   LEU  33          2HB       LEU  33  -9.193   7.905   0.376
  239    HG   LEU  33           HG       LEU  33 -10.004   6.214   2.724
  240   1HD1  LEU  33          1HD1      LEU  33 -11.690   7.962   2.635
  241   2HD1  LEU  33          2HD1      LEU  33 -12.109   7.528   0.951
  242   3HD1  LEU  33          3HD1      LEU  33 -12.376   6.418   2.316
  243   1HD2  LEU  33          1HD2      LEU  33  -9.022   5.612   0.341
  244   2HD2  LEU  33          2HD2      LEU  33 -10.366   4.644   0.832
  245   3HD2  LEU  33          3HD2      LEU  33 -10.623   5.981  -0.294
  246    H    VAL  34           H        VAL  34  -7.764  10.030   1.549
  247    HA   VAL  34           HA       VAL  34  -5.707   9.916  -0.362
  248    HB   VAL  34           HB       VAL  34  -6.830  11.900   1.387
  249   1HG1  VAL  34          1HG1      VAL  34  -4.581  12.484  -0.575
  250   2HG1  VAL  34          2HG1      VAL  34  -5.622  13.731   0.153
  251   3HG1  VAL  34          3HG1      VAL  34  -4.552  12.769   1.177
  252   1HG2  VAL  34          1HG2      VAL  34  -8.109  11.118  -0.570
  253   2HG2  VAL  34          2HG2      VAL  34  -7.718  12.837  -0.689
  254   3HG2  VAL  34          3HG2      VAL  34  -6.780  11.644  -1.628
  255    H    LYS  35           H        LYS  35  -5.651   9.725   3.112
  256    HA   LYS  35           HA       LYS  35  -2.806  10.425   3.417
  257   1HB   LYS  35          1HB       LYS  35  -4.452  11.238   4.942
  258   2HB   LYS  35          2HB       LYS  35  -5.095   9.616   5.213
  259   1HG   LYS  35          1HG       LYS  35  -3.055   8.872   6.228
  260   2HG   LYS  35          2HG       LYS  35  -2.287  10.437   5.868
  261   1HD   LYS  35          1HD       LYS  35  -2.971  10.560   8.100
  262   2HD   LYS  35          2HD       LYS  35  -4.104  11.552   7.125
  263   1HE   LYS  35          1HE       LYS  35  -5.294   9.022   7.335
  264   2HE   LYS  35          2HE       LYS  35  -4.626   9.275   8.932
  265   1HZ   LYS  35          1HZ       LYS  35  -6.362  11.322   7.618
  266   2HZ   LYS  35          2HZ       LYS  35  -6.958  10.192   8.599
  267   3HZ   LYS  35          3HZ       LYS  35  -5.894  11.305   9.147
  268    H    LEU  36           H        LEU  36  -4.902   7.363   3.339
  269    HA   LEU  36           HA       LEU  36  -2.775   5.699   4.128
  270   1HB   LEU  36          1HB       LEU  36  -5.678   5.602   3.134
  271   2HB   LEU  36          2HB       LEU  36  -4.828   4.102   3.313
  272    HG   LEU  36           HG       LEU  36  -4.698   6.066   5.577
  273   1HD1  LEU  36          1HD1      LEU  36  -7.093   5.455   4.970
  274   2HD1  LEU  36          2HD1      LEU  36  -6.706   3.877   5.634
  275   3HD1  LEU  36          3HD1      LEU  36  -6.527   5.309   6.649
  276   1HD2  LEU  36          1HD2      LEU  36  -3.135   4.117   5.561
  277   2HD2  LEU  36          2HD2      LEU  36  -4.253   4.125   6.944
  278   3HD2  LEU  36          3HD2      LEU  36  -4.539   3.038   5.565
  279    H    VAL  37           H        VAL  37  -4.182   7.163   1.268
  280    HA   VAL  37           HA       VAL  37  -2.902   5.585  -0.681
  281    HB   VAL  37           HB       VAL  37  -4.092   8.329  -0.538
  282   1HG1  VAL  37          1HG1      VAL  37  -2.368   7.643  -2.923
  283   2HG1  VAL  37          2HG1      VAL  37  -3.551   8.975  -2.824
  284   3HG1  VAL  37          3HG1      VAL  37  -2.140   8.997  -1.789
  285   1HG2  VAL  37          1HG2      VAL  37  -4.476   6.037  -2.455
  286   2HG2  VAL  37          2HG2      VAL  37  -5.515   6.514  -1.084
  287   3HG2  VAL  37          3HG2      VAL  37  -5.379   7.579  -2.480
  288    H    THR  38           H        THR  38  -1.947   8.601   0.945
  289    HA   THR  38           HA       THR  38   0.575   8.788  -0.190
  290    HB   THR  38           HB       THR  38  -1.026  10.224   1.338
  291    HG1  THR  38           HG1      THR  38   0.322  10.549  -0.816
  292   1HG2  THR  38          1HG2      THR  38   0.549  10.118   3.217
  293   2HG2  THR  38          2HG2      THR  38   1.882  10.571   2.125
  294   3HG2  THR  38          3HG2      THR  38   0.597  11.741   2.499
  295    H    HIS  39           H        HIS  39  -0.493   7.524   3.008
  296    HA   HIS  39           HA       HIS  39   2.023   6.735   3.977
  297   1HB   HIS  39          1HB       HIS  39  -0.455   6.603   4.960
  298   2HB   HIS  39          2HB       HIS  39  -0.360   5.036   4.190
  299    HD1  HIS  39           HD1      HIS  39   2.128   6.988   6.394
  300    HD2  HIS  39           HD2      HIS  39   0.184   3.253   6.045
  301    HE1  HIS  39           HE1      HIS  39   2.912   5.606   8.361
  302    H    PHE  40           H        PHE  40   0.084   5.308   1.289
  303    HA   PHE  40           HA       PHE  40   1.834   2.935   1.273
  304   1HB   PHE  40          1HB       PHE  40  -0.436   3.014   0.172
  305   2HB   PHE  40          2HB       PHE  40   0.257   4.026  -1.083
  306    HD1  PHE  40           HD1      PHE  40   2.656   3.000  -2.113
  307    HD2  PHE  40           HD2      PHE  40  -0.528   0.765  -0.262
  308    HE1  PHE  40           HE1      PHE  40   3.212   1.057  -3.485
  309    HE2  PHE  40           HE2      PHE  40   0.017  -1.186  -1.804
  310    HZ   PHE  40           HZ       PHE  40   1.758  -0.983  -3.447
  311    H    GLU  41           H        GLU  41   1.563   5.791  -0.768
  312    HA   GLU  41           HA       GLU  41   3.776   5.849  -2.322
  313   1HB   GLU  41          1HB       GLU  41   2.836   8.190  -1.069
  314   2HB   GLU  41          2HB       GLU  41   3.694   8.069  -2.601
  315   1HG   GLU  41          1HG       GLU  41   1.715   6.898  -3.553
  316   2HG   GLU  41          2HG       GLU  41   0.878   7.131  -2.054
  317    H    GLU  42           H        GLU  42   3.697   6.506   1.084
  318    HA   GLU  42           HA       GLU  42   6.227   7.691   1.427
  319   1HB   GLU  42          1HB       GLU  42   4.373   8.399   2.663
  320   2HB   GLU  42          2HB       GLU  42   4.282   6.750   3.019
  321   1HG   GLU  42          2HG       GLU  42   4.934   8.131   4.952
  322   2HG   GLU  42          1HG       GLU  42   5.887   6.713   4.626
  323    H    MET  43           H        MET  43   4.561   4.822   2.393
  324    HA   MET  43           HA       MET  43   6.426   3.867   3.991
  325   1HB   MET  43          1HB       MET  43   3.969   2.754   2.754
  326   2HB   MET  43          2HB       MET  43   4.989   1.593   3.419
  327   1HG   MET  43          1HG       MET  43   3.186   2.671   4.954
  328   2HG   MET  43          2HG       MET  43   4.770   2.291   5.614
  329   1HE   MET  43          1HE       MET  43   6.682   4.057   6.019
  330   2HE   MET  43          2HE       MET  43   6.198   5.588   6.774
  331   3HE   MET  43          3HE       MET  43   5.616   4.050   7.447
  332    H    THR  44           H        THR  44   5.883   2.765   0.736
  333    HA   THR  44           HA       THR  44   7.776   0.553   1.178
  334    HB   THR  44           HB       THR  44   5.718  -0.133   0.345
  335    HG1  THR  44           HG1      THR  44   7.772  -0.048  -1.467
  336   1HG2  THR  44          1HG2      THR  44   5.734   2.315  -1.395
  337   2HG2  THR  44          2HG2      THR  44   4.880   0.862  -1.953
  338   3HG2  THR  44          3HG2      THR  44   4.466   1.577  -0.411
  339    H    GLU  45           H        GLU  45   8.409   3.648   0.410
  340    HA   GLU  45           HA       GLU  45   9.888   4.769  -0.904
  341   1HB   GLU  45          1HB       GLU  45  11.374   2.190  -1.039
  342   2HB   GLU  45          2HB       GLU  45  12.051   3.770  -1.322
  343   1HG   GLU  45          1HG       GLU  45  11.961   4.330   1.028
  344   2HG   GLU  45          2HG       GLU  45  10.980   2.893   1.402
  345    H    HIS  46           H        HIS  46   7.587   3.460  -2.275
  346    HA   HIS  46           HA       HIS  46   8.837   1.910  -4.385
  347   1HB   HIS  46          1HB       HIS  46   6.902   0.930  -3.387
  348   2HB   HIS  46          2HB       HIS  46   5.899   2.330  -3.823
  349    HD1  HIS  46           HD1      HIS  46   5.171   2.504  -6.376
  350    HD2  HIS  46           HD2      HIS  46   7.710  -0.726  -5.493
  351    HE1  HIS  46           HE1      HIS  46   5.382   1.094  -8.515
  352    HA   PRO  47           HA       PRO  47   9.111   4.984  -7.680
  353   1HB   PRO  47          2HB       PRO  47   7.805   2.554  -8.968
  354   2HB   PRO  47          1HB       PRO  47   9.002   3.683  -9.676
  355   1HG   PRO  47          1HG       PRO  47   9.726   1.280  -8.436
  356   2HG   PRO  47          2HG       PRO  47  10.713   2.755  -8.263
  357   1HD   PRO  47          2HD       PRO  47   8.929   1.340  -6.444
  358   2HD   PRO  47          1HD       PRO  47  10.339   2.290  -6.140
  359    H    SER  48           H        SER  48   6.191   3.039  -8.041
  360    HA   SER  48           HA       SER  48   4.891   5.270  -9.271
  361   1HB   SER  48          1HB       SER  48   3.859   2.516  -9.485
  362   2HB   SER  48          2HB       SER  48   3.933   3.789 -10.690
  363    HG   SER  48           HG       SER  48   5.401   2.311 -11.244
  364    H    GLY  49           H        GLY  49   4.580   5.182  -6.419
  365   1HA   GLY  49          2HA       GLY  49   2.949   6.342  -5.197
  366   2HA   GLY  49          1HA       GLY  49   2.511   4.664  -4.896
  367    H    SER  50           H        SER  50   1.879   7.361  -7.200
  368    HA   SER  50           HA       SER  50  -0.963   7.229  -6.926
  369   1HB   SER  50          1HB       SER  50  -0.764   8.883  -8.877
  370   2HB   SER  50          2HB       SER  50   0.117   9.291  -7.396
  371    HG   SER  50           HG       SER  50   1.172   8.202  -9.824
  372    H    ASP  51           H        ASP  51   0.821   4.815  -8.471
  373    HA   ASP  51           HA       ASP  51  -0.674   4.562 -10.897
  374   1HB   ASP  51          1HB       ASP  51   2.299   5.110 -10.552
  375   2HB   ASP  51          2HB       ASP  51   1.661   4.249 -11.940
  376    H    LEU  52           H        LEU  52   0.506   3.203  -7.723
  377    HA   LEU  52           HA       LEU  52  -0.153   0.750  -9.201
  378   1HB   LEU  52          1HB       LEU  52   0.933  -0.370  -7.247
  379   2HB   LEU  52          2HB       LEU  52   1.856   0.164  -8.637
  380    HG   LEU  52           HG       LEU  52   3.085   1.719  -7.480
  381   1HD1  LEU  52          1HD1      LEU  52   1.250   1.346  -5.100
  382   2HD1  LEU  52          2HD1      LEU  52   2.738   2.355  -5.169
  383   3HD1  LEU  52          3HD1      LEU  52   1.320   2.779  -6.117
  384   1HD2  LEU  52          1HD2      LEU  52   2.408  -0.695  -5.782
  385   2HD2  LEU  52          2HD2      LEU  52   3.643  -0.597  -7.063
  386   3HD2  LEU  52          3HD2      LEU  52   3.840   0.305  -5.537
  387    H    ILE  53           H        ILE  53  -1.943   2.858  -8.190
  388    HA   ILE  53           HA       ILE  53  -3.124   1.258  -6.048
  389    HB   ILE  53           HB       ILE  53  -2.483   4.130  -6.031
  390   1HG1  ILE  53          2HG1      ILE  53  -0.808   2.435  -5.005
  391   2HG1  ILE  53          1HG1      ILE  53  -1.607   3.377  -3.774
  392   1HG2  ILE  53          1HG2      ILE  53  -4.590   2.675  -4.411
  393   2HG2  ILE  53          2HG2      ILE  53  -3.888   4.285  -4.013
  394   3HG2  ILE  53          3HG2      ILE  53  -4.763   4.000  -5.529
  395   1HD1  ILE  53          1HD1      ILE  53  -3.057   1.665  -3.267
  396   2HD1  ILE  53          2HD1      ILE  53  -2.193   0.622  -4.440
  397   3HD1  ILE  53          3HD1      ILE  53  -1.290   1.330  -3.113
  398    H    TYR  54           H        TYR  54  -3.795   3.424  -8.882
  399    HA   TYR  54           HA       TYR  54  -6.384   1.994  -9.122
  400   1HB   TYR  54          1HB       TYR  54  -6.410   4.995  -9.418
  401   2HB   TYR  54          2HB       TYR  54  -7.746   3.885  -9.268
  402    HD1  TYR  54           HD1      TYR  54  -7.772   2.574  -6.856
  403    HD2  TYR  54           HD2      TYR  54  -5.658   6.251  -7.535
  404    HE1  TYR  54           HE1      TYR  54  -8.157   3.202  -4.492
  405    HE2  TYR  54           HE2      TYR  54  -5.667   6.641  -5.083
  406    HH   TYR  54           HH       TYR  54  -6.599   6.066  -3.054
  407    H    TYR  55           H        TYR  55  -4.212   4.424 -10.609
  408    HA   TYR  55           HA       TYR  55  -5.434   4.449 -13.178
  409   1HB   TYR  55          1HB       TYR  55  -4.135   6.301 -12.353
  410   2HB   TYR  55          2HB       TYR  55  -2.715   5.289 -12.144
  411    HD1  TYR  55           HD1      TYR  55  -5.109   5.884 -15.045
  412    HD2  TYR  55           HD2      TYR  55  -1.041   5.878 -13.611
  413    HE1  TYR  55           HE1      TYR  55  -4.302   6.518 -17.305
  414    HE2  TYR  55           HE2      TYR  55  -0.228   6.496 -15.806
  415    HH   TYR  55           HH       TYR  55  -0.813   6.860 -17.998
  416    HA   PRO  56           HA       PRO  56  -1.842   0.940 -14.172
  417   1HB   PRO  56          1HB       PRO  56  -2.032  -0.856 -12.116
  418   2HB   PRO  56          2HB       PRO  56  -0.749   0.364 -12.291
  419   1HG   PRO  56          2HG       PRO  56  -3.420   0.771 -10.843
  420   2HG   PRO  56          1HG       PRO  56  -1.810   0.869 -10.133
  421   1HD   PRO  56          1HD       PRO  56  -2.653   3.139 -10.955
  422   2HD   PRO  56          2HD       PRO  56  -1.231   2.642 -11.859
  423    H    LYS  57           H        LYS  57  -3.182  -0.460 -15.557
  424    HA   LYS  57           HA       LYS  57  -5.522  -1.738 -14.432
  425   1HB   LYS  57          1HB       LYS  57  -6.328   0.655 -14.664
  426   2HB   LYS  57          2HB       LYS  57  -6.159   0.491 -16.380
  427   1HG   LYS  57          1HG       LYS  57  -8.111  -0.624 -16.538
  428   2HG   LYS  57          2HG       LYS  57  -7.632  -1.836 -15.357
  429   1HD   LYS  57          1HD       LYS  57  -8.694   0.888 -14.564
  430   2HD   LYS  57          2HD       LYS  57  -9.684  -0.568 -14.814
  431   1HE   LYS  57          1HE       LYS  57  -9.397  -0.538 -12.503
  432   2HE   LYS  57          2HE       LYS  57  -8.216  -1.729 -13.066
  433   1HZ   LYS  57          1HZ       LYS  57  -7.507   1.064 -12.272
  434   2HZ   LYS  57          2HZ       LYS  57  -7.272  -0.321 -11.438
  435   3HZ   LYS  57          3HZ       LYS  57  -6.488  -0.121 -12.769
  436    H    GLU  58           H        GLU  58  -4.237  -0.673 -17.289
  437    HA   GLU  58           HA       GLU  58  -5.690  -2.499 -18.818
  438   1HB   GLU  58          1HB       GLU  58  -5.182  -0.136 -19.228
  439   2HB   GLU  58          2HB       GLU  58  -3.720  -0.875 -19.936
  440   1HG   GLU  58          1HG       GLU  58  -5.001  -1.930 -21.714
  441   2HG   GLU  58          2HG       GLU  58  -6.517  -1.622 -20.864
  442    H    GLY  59           H        GLY  59  -3.113  -2.967 -17.870
  443   1HA   GLY  59          2HA       GLY  59  -1.397  -4.846 -19.192
  444   2HA   GLY  59          1HA       GLY  59  -2.909  -5.689 -18.763
  445    H    ASP  60           H        ASP  60  -3.110  -3.569 -16.442
  446    HA   ASP  60           HA       ASP  60  -0.781  -4.468 -14.807
  447   1HB   ASP  60          1HB       ASP  60  -1.307  -1.874 -15.789
  448   2HB   ASP  60          2HB       ASP  60  -1.896  -1.845 -14.137
  449    H    ASP  61           H        ASP  61  -1.246  -5.670 -13.497
  450    HA   ASP  61           HA       ASP  61  -3.790  -6.136 -12.389
  451   1HB   ASP  61          1HB       ASP  61  -2.486  -8.030 -12.592
  452   2HB   ASP  61          2HB       ASP  61  -1.373  -7.232 -11.517
  453    H    ASP  62           H        ASP  62  -4.321  -3.975 -11.613
  454    HA   ASP  62           HA       ASP  62  -2.975  -3.048  -9.110
  455   1HB   ASP  62          2HB       ASP  62  -3.947  -1.028  -9.578
  456   2HB   ASP  62          1HB       ASP  62  -3.793  -1.642 -11.219
  457    H    SER  63           H        SER  63  -4.923  -5.626  -9.557
  458    HA   SER  63           HA       SER  63  -7.373  -4.992  -8.269
  459   1HB   SER  63          1HB       SER  63  -7.380  -7.348  -7.424
  460   2HB   SER  63          2HB       SER  63  -7.053  -7.249  -9.155
  461    HG   SER  63           HG       SER  63  -4.963  -7.739  -8.827
  462    HA   PRO  64           HA       PRO  64  -6.177  -3.639  -4.238
  463   1HB   PRO  64          2HB       PRO  64  -7.950  -5.801  -3.087
  464   2HB   PRO  64          1HB       PRO  64  -7.696  -4.124  -2.593
  465   1HG   PRO  64          1HG       PRO  64  -9.840  -4.730  -4.165
  466   2HG   PRO  64          2HG       PRO  64  -8.839  -3.303  -4.613
  467   1HD   PRO  64          1HD       PRO  64  -8.624  -6.133  -5.633
  468   2HD   PRO  64          2HD       PRO  64  -8.679  -4.625  -6.606
  469    H    SER  65           H        SER  65  -5.663  -6.629  -5.089
  470    HA   SER  65           HA       SER  65  -3.484  -7.344  -3.239
  471   1HB   SER  65          1HB       SER  65  -5.274  -8.881  -4.332
  472   2HB   SER  65          2HB       SER  65  -3.622  -9.323  -4.893
  473    HG   SER  65           HG       SER  65  -4.553  -9.074  -2.239
  474    H    GLY  66           H        GLY  66  -3.912  -7.232  -6.698
  475   1HA   GLY  66          2HA       GLY  66  -2.700  -6.857  -8.335
  476   2HA   GLY  66          1HA       GLY  66  -1.464  -7.862  -7.650
  477    H    ILE  67           H        ILE  67  -2.969  -4.660  -6.666
  478    HA   ILE  67           HA       ILE  67  -0.551  -3.417  -7.244
  479    HB   ILE  67           HB       ILE  67  -1.343  -1.614  -5.495
  480   1HG1  ILE  67          1HG1      ILE  67  -3.559  -3.581  -5.174
  481   2HG1  ILE  67          2HG1      ILE  67  -2.593  -2.688  -4.124
  482   1HG2  ILE  67          1HG2      ILE  67  -1.909  -1.551  -8.060
  483   2HG2  ILE  67          2HG2      ILE  67  -3.522  -2.129  -7.480
  484   3HG2  ILE  67          3HG2      ILE  67  -2.975  -0.601  -7.000
  485   1HD1  ILE  67          1HD1      ILE  67  -4.826  -1.439  -5.814
  486   2HD1  ILE  67          2HD1      ILE  67  -5.010  -1.943  -4.168
  487   3HD1  ILE  67          3HD1      ILE  67  -3.909  -0.625  -4.529
  488    H    VAL  68           H        VAL  68  -1.470  -4.981  -4.435
  489    HA   VAL  68           HA       VAL  68   0.798  -3.795  -2.848
  490    HB   VAL  68           HB       VAL  68  -0.918  -6.375  -2.437
  491   1HG1  VAL  68          1HG1      VAL  68   1.137  -5.539  -0.849
  492   2HG1  VAL  68          2HG1      VAL  68  -0.019  -4.312  -0.346
  493   3HG1  VAL  68          3HG1      VAL  68  -0.409  -6.010  -0.074
  494   1HG2  VAL  68          1HG2      VAL  68  -1.572  -3.521  -2.131
  495   2HG2  VAL  68          2HG2      VAL  68  -2.552  -4.907  -2.673
  496   3HG2  VAL  68          3HG2      VAL  68  -2.233  -4.651  -0.961
  497    H    ASN  69           H        ASN  69  -0.093  -6.252  -4.819
  498    HA   ASN  69           HA       ASN  69   2.254  -7.956  -4.958
  499   1HB   ASN  69          1HB       ASN  69  -0.105  -7.948  -6.037
  500   2HB   ASN  69          2HB       ASN  69   1.098  -7.941  -7.356
  501   2HD2  ASN  69          2HD2      ASN  69  -0.835 -10.012  -6.678
  502   1HD2  ASN  69          1HD2      ASN  69   0.037 -11.418  -6.076
  503    H    THR  70           H        THR  70   1.474  -4.803  -6.483
  504    HA   THR  70           HA       THR  70   3.387  -5.308  -8.343
  505    HB   THR  70           HB       THR  70   2.265  -2.629  -7.405
  506    HG1  THR  70           HG1      THR  70   1.069  -3.156  -9.559
  507   1HG2  THR  70          1HG2      THR  70   3.655  -3.221 -10.056
  508   2HG2  THR  70          2HG2      THR  70   2.793  -1.722  -9.656
  509   3HG2  THR  70          3HG2      THR  70   4.262  -2.152  -8.768
  510    H    VAL  71           H        VAL  71   3.305  -3.860  -5.217
  511    HA   VAL  71           HA       VAL  71   6.004  -2.876  -5.018
  512    HB   VAL  71           HB       VAL  71   3.828  -3.545  -2.906
  513   1HG1  VAL  71          1HG1      VAL  71   6.608  -2.693  -2.567
  514   2HG1  VAL  71          2HG1      VAL  71   5.334  -2.590  -1.317
  515   3HG1  VAL  71          3HG1      VAL  71   5.848  -4.192  -1.914
  516   1HG2  VAL  71          1HG2      VAL  71   5.306  -1.155  -4.001
  517   2HG2  VAL  71          2HG2      VAL  71   3.626  -1.653  -4.322
  518   3HG2  VAL  71          3HG2      VAL  71   4.097  -1.157  -2.672
  519    H    LYS  72           H        LYS  72   4.148  -5.847  -4.343
  520    HA   LYS  72           HA       LYS  72   6.384  -7.041  -3.118
  521   1HB   LYS  72          1HB       LYS  72   3.792  -7.936  -3.911
  522   2HB   LYS  72          2HB       LYS  72   4.924  -9.241  -4.277
  523   1HG   LYS  72          1HG       LYS  72   4.465  -9.466  -1.942
  524   2HG   LYS  72          2HG       LYS  72   5.959  -8.556  -1.941
  525   1HD   LYS  72          2HD       LYS  72   4.975  -6.983  -0.897
  526   2HD   LYS  72          1HD       LYS  72   4.182  -6.502  -2.207
  527   1HE   LYS  72          1HE       LYS  72   2.567  -6.895  -0.265
  528   2HE   LYS  72          2HE       LYS  72   2.117  -7.226  -1.921
  529   1HZ   LYS  72          1HZ       LYS  72   3.068  -9.365  -0.165
  530   2HZ   LYS  72          2HZ       LYS  72   1.468  -8.967  -0.308
  531   3HZ   LYS  72          3HZ       LYS  72   2.335  -9.511  -1.610
  532    H    GLN  73           H        GLN  73   6.320  -6.284  -6.075
  533    HA   GLN  73           HA       GLN  73   8.136  -8.146  -7.078
  534   1HB   GLN  73          1HB       GLN  73   6.060  -6.558  -8.590
  535   2HB   GLN  73          2HB       GLN  73   7.257  -7.638  -9.368
  536   1HG   GLN  73          1HG       GLN  73   6.581  -9.387  -7.668
  537   2HG   GLN  73          2HG       GLN  73   5.360  -8.467  -7.116
  538   2HE2  GLN  73          2HE2      GLN  73   3.448  -8.422  -7.903
  539   1HE2  GLN  73          1HE2      GLN  73   2.893  -9.292  -9.339
  540    H    TRP  74           H        TRP  74   7.539  -4.699  -6.948
  541    HA   TRP  74           HA       TRP  74  10.135  -3.792  -7.827
  542   1HB   TRP  74          1HB       TRP  74   8.175  -2.342  -7.670
  543   2HB   TRP  74          2HB       TRP  74   8.535  -2.402  -5.929
  544    HD1  TRP  74           HD1      TRP  74  10.013  -1.370  -9.252
  545    HE1  TRP  74           HE1      TRP  74  12.085   0.081  -9.043
  546    HE3  TRP  74           HE3      TRP  74  10.079  -1.004  -4.205
  547    HZ2  TRP  74           HZ2      TRP  74  13.428   1.499  -6.931
  548    HZ3  TRP  74           HZ3      TRP  74  11.556   0.625  -3.181
  549    HH2  TRP  74           HH2      TRP  74  13.230   1.911  -4.487
  550    H    ARG  75           H        ARG  75   8.662  -4.031  -4.551
  551    HA   ARG  75           HA       ARG  75  11.141  -4.003  -3.172
  552   1HB   ARG  75          1HB       ARG  75   8.283  -5.004  -2.415
  553   2HB   ARG  75          2HB       ARG  75   9.583  -5.353  -1.413
  554   1HG   ARG  75          1HG       ARG  75   9.963  -2.810  -1.083
  555   2HG   ARG  75          2HG       ARG  75   8.530  -2.560  -1.948
  556   1HD   ARG  75          1HD       ARG  75   8.500  -2.514   0.540
  557   2HD   ARG  75          2HD       ARG  75   7.317  -3.667  -0.112
  558    HE   ARG  75           HE       ARG  75   9.645  -4.147   1.553
  559   1HH1  ARG  75          1HH1      ARG  75   7.472  -5.839  -0.705
  560   2HH1  ARG  75          2HH1      ARG  75   7.318  -7.248   0.300
  561   1HH2  ARG  75          1HH2      ARG  75   9.518  -6.055   2.737
  562   2HH2  ARG  75          2HH2      ARG  75   8.758  -7.493   2.073
  563    H    ALA  76           H        ALA  76  10.006  -6.363  -5.018
  564    HA   ALA  76           HA       ALA  76  11.629  -8.331  -3.521
  565   1HB   ALA  76          1HB       ALA  76   9.632  -8.913  -5.719
  566   2HB   ALA  76          3HB       ALA  76  10.605 -10.155  -4.924
  567   3HB   ALA  76          2HB       ALA  76   9.426  -9.240  -3.969
  568    H    ALA  77           H        ALA  77  11.536  -6.623  -6.336
  569    HA   ALA  77           HA       ALA  77  13.790  -8.171  -7.490
  570   1HB   ALA  77          1HB       ALA  77  11.894  -7.481  -9.029
  571   2HB   ALA  77          3HB       ALA  77  12.212  -5.783  -8.620
  572   3HB   ALA  77          2HB       ALA  77  13.418  -6.703  -9.536
  573    H    ASN  78           H        ASN  78  13.008  -5.154  -6.209
  574    HA   ASN  78           HA       ASN  78  15.680  -4.104  -6.188
  575   1HB   ASN  78          1HB       ASN  78  13.199  -2.956  -6.326
  576   2HB   ASN  78          2HB       ASN  78  13.251  -3.176  -4.633
  577   2HD2  ASN  78          2HD2      ASN  78  14.827  -1.590  -7.442
  578   1HD2  ASN  78          1HD2      ASN  78  15.745  -0.420  -6.496
  579    H    GLY  79           H        GLY  79  13.799  -6.192  -4.692
  580   1HA   GLY  79          2HA       GLY  79  15.893  -7.203  -3.002
  581   2HA   GLY  79          1HA       GLY  79  14.220  -7.791  -2.965
  582    H    LYS  80           H        LYS  80  13.312  -5.074  -2.467
  583    HA   LYS  80           HA       LYS  80  14.324  -3.444  -0.583
  584   1HB   LYS  80          1HB       LYS  80  11.539  -4.020  -0.468
  585   2HB   LYS  80          2HB       LYS  80  12.355  -2.604   0.242
  586   1HG   LYS  80          1HG       LYS  80  12.820  -3.342  -2.632
  587   2HG   LYS  80          2HG       LYS  80  11.496  -2.396  -2.247
  588   1HD   LYS  80          1HD       LYS  80  14.097  -1.856  -2.007
  589   2HD   LYS  80          2HD       LYS  80  13.071  -1.352  -3.234
  590   1HE   LYS  80          1HE       LYS  80  11.707  -0.119  -1.684
  591   2HE   LYS  80          2HE       LYS  80  12.502  -0.609  -0.421
  592   1HZ   LYS  80          1HZ       LYS  80  14.594   0.523  -1.715
  593   2HZ   LYS  80          2HZ       LYS  80  13.328   1.556  -2.039
  594   3HZ   LYS  80          3HZ       LYS  80  13.742   1.220  -0.513
  595    H    SER  81           H        SER  81  12.186  -5.763   0.526
  596    HA   SER  81           HA       SER  81  11.959  -7.268   2.245
  597   1HB   SER  81          1HB       SER  81  14.242  -6.278   3.314
  598   2HB   SER  81          2HB       SER  81  13.377  -7.727   3.816
  599    HG   SER  81           HG       SER  81  14.801  -7.352   1.351
  600    H    GLY  82           H        GLY  82  12.119  -6.484   4.605
  601   1HA   GLY  82          2HA       GLY  82  11.614  -3.661   4.932
  602   2HA   GLY  82          1HA       GLY  82  11.806  -4.877   6.242
  603    H    PHE  83           H        PHE  83   9.474  -6.385   5.301
  604    HA   PHE  83           HA       PHE  83   7.465  -4.692   6.573
  605   1HB   PHE  83          1HB       PHE  83   7.069  -7.343   5.083
  606   2HB   PHE  83          2HB       PHE  83   6.001  -6.649   6.139
  607    HD1  PHE  83           HD1      PHE  83   4.698  -4.374   5.697
  608    HD2  PHE  83           HD2      PHE  83   6.743  -6.866   2.927
  609    HE1  PHE  83           HE1      PHE  83   3.815  -3.140   3.975
  610    HE2  PHE  83           HE2      PHE  83   5.726  -5.670   1.078
  611    HZ   PHE  83           HZ       PHE  83   4.347  -3.646   1.473
  612    H    LYS  84           H        LYS  84   6.413  -6.263   7.810
  613    HA   LYS  84           HA       LYS  84   7.565  -7.814   9.851
  614   1HB   LYS  84          1HB       LYS  84   6.065  -5.815   9.878
  615   2HB   LYS  84          2HB       LYS  84   4.918  -7.097   9.514
  616   1HG   LYS  84          1HG       LYS  84   5.053  -8.040  11.661
  617   2HG   LYS  84          2HG       LYS  84   6.720  -7.441  11.918
  618   1HD   LYS  84          1HD       LYS  84   6.019  -5.198  12.142
  619   2HD   LYS  84          2HD       LYS  84   4.401  -5.576  11.510
  620   1HE   LYS  84          1HE       LYS  84   3.807  -6.781  13.499
  621   2HE   LYS  84          2HE       LYS  84   5.402  -6.446  14.221
  622   1HZ   LYS  84          1HZ       LYS  84   3.557  -4.304  13.324
  623   2HZ   LYS  84          2HZ       LYS  84   3.561  -4.840  14.881
  624   3HZ   LYS  84          3HZ       LYS  84   4.842  -4.058  14.216
  625    H    GLN  85           H        GLN  85   6.028  -9.284  10.305
  626    HA   GLN  85           HA       GLN  85   5.950 -11.512   8.455
  627   1HB   GLN  85          1HB       GLN  85   6.094 -12.743  10.618
  628   2HB   GLN  85          2HB       GLN  85   7.442 -12.065   9.779
  629   1HG   GLN  85          1HG       GLN  85   7.806 -10.336  11.062
  630   2HG   GLN  85          2HG       GLN  85   6.228 -10.459  11.886
  631   2HE2  GLN  85          2HE2      GLN  85   5.986 -11.997  13.658
  632   1HE2  GLN  85          1HE2      GLN  85   7.375 -12.857  14.312
  633    H    GLY  86           H        GLY  86   4.870 -11.369  11.415
  634   1HA   GLY  86          2HA       GLY  86   2.427 -12.746  11.282
  635   2HA   GLY  86          1HA       GLY  86   2.110 -11.044  11.766

  No H/Q in entry =         635
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -9.158   1.068   9.658
    2    H2   MET   1           H2       MET   1  -9.755   1.731   8.267
    3    H3   MET   1           H3       MET   1  -9.134   0.235   8.236
    4    HA   MET   1           HA       MET   1  -7.502   1.515   7.342
    5   1HB   MET   1          2HB       MET   1  -6.748   3.605   8.059
    6   2HB   MET   1          1HB       MET   1  -8.503   3.674   8.049
    7   1HG   MET   1          2HG       MET   1  -6.601   3.660  10.386
    8   2HG   MET   1          1HG       MET   1  -7.822   4.839   9.965
    9   1HE   MET   1          1HE       MET   1  -6.704   1.897  11.651
   10   2HE   MET   1          2HE       MET   1  -7.340   2.750  13.057
   11   3HE   MET   1          3HE       MET   1  -8.064   1.193  12.544
   12    H    GLU   2           H        GLU   2  -5.117   1.923   8.161
   13    HA   GLU   2           HA       GLU   2  -4.311   0.963  10.692
   14   1HB   GLU   2          1HB       GLU   2  -4.087  -0.796   8.264
   15   2HB   GLU   2          2HB       GLU   2  -2.562  -0.494   9.083
   16   1HG   GLU   2          1HG       GLU   2  -5.055  -1.548  10.471
   17   2HG   GLU   2          2HG       GLU   2  -3.718  -2.532   9.859
   18    H    LEU   3           H        LEU   3  -1.647   1.719  10.746
   19    HA   LEU   3           HA       LEU   3  -0.669   2.829   8.527
   20   1HB   LEU   3          1HB       LEU   3  -1.499   4.657  10.854
   21   2HB   LEU   3          2HB       LEU   3  -0.100   4.980   9.830
   22    HG   LEU   3           HG       LEU   3  -2.997   4.961   9.010
   23   1HD1  LEU   3          1HD1      LEU   3  -2.040   6.984  10.167
   24   2HD1  LEU   3          2HD1      LEU   3  -0.737   7.050   8.952
   25   3HD1  LEU   3          3HD1      LEU   3  -2.419   7.344   8.462
   26   1HD2  LEU   3          1HD2      LEU   3  -0.505   5.433   7.319
   27   2HD2  LEU   3          2HD2      LEU   3  -1.660   4.097   7.083
   28   3HD2  LEU   3          3HD2      LEU   3  -2.150   5.767   6.765
   29    H    LYS   4           H        LYS   4   1.481   3.335   9.224
   30    HA   LYS   4           HA       LYS   4   2.220   2.493  11.840
   31   1HB   LYS   4          1HB       LYS   4   2.406   0.485   9.832
   32   2HB   LYS   4          2HB       LYS   4   3.902   0.836  10.649
   33   1HG   LYS   4          1HG       LYS   4   3.071  -0.051  12.715
   34   2HG   LYS   4          2HG       LYS   4   1.659   0.844  12.623
   35   1HD   LYS   4          1HD       LYS   4   0.716  -0.848  10.968
   36   2HD   LYS   4          2HD       LYS   4   2.025  -1.910  11.575
   37   1HE   LYS   4          1HE       LYS   4   1.251  -1.869  13.773
   38   2HE   LYS   4          2HE       LYS   4   0.248  -0.420  13.489
   39   1HZ   LYS   4          1HZ       LYS   4  -0.336  -2.973  12.151
   40   2HZ   LYS   4          2HZ       LYS   4  -1.091  -2.501  13.552
   41   3HZ   LYS   4          3HZ       LYS   4  -1.254  -1.621  12.244
   42    H    HIS   5           H        HIS   5   4.888   2.480  11.762
   43    HA   HIS   5           HA       HIS   5   5.345   5.243  10.841
   44   1HB   HIS   5          2HB       HIS   5   7.661   3.892  12.001
   45   2HB   HIS   5          1HB       HIS   5   6.995   5.469  12.282
   46    HD1  HIS   5           HD1      HIS   5   4.844   5.400  14.225
   47    HD2  HIS   5           HD2      HIS   5   7.464   2.195  13.677
   48    HE1  HIS   5           HE1      HIS   5   4.684   4.014  16.393
   49    H    SER   6           H        SER   6   5.998   2.065  10.425
   50    HA   SER   6           HA       SER   6   7.578   2.497   8.088
   51   1HB   SER   6          2HB       SER   6   8.117   0.024   9.364
   52   2HB   SER   6          1HB       SER   6   8.967   1.472   8.903
   53    HG   SER   6           HG       SER   6   7.726   1.307  11.394
   54    H    ILE   7           H        ILE   7   7.475   1.145   6.397
   55    HA   ILE   7           HA       ILE   7   5.646  -0.802   5.878
   56    HB   ILE   7           HB       ILE   7   6.825   0.337   4.222
   57   1HG1  ILE   7          1HG1      ILE   7   8.231  -2.215   3.617
   58   2HG1  ILE   7          2HG1      ILE   7   6.558  -2.448   4.116
   59   1HG2  ILE   7          1HG2      ILE   7   9.462  -0.795   5.220
   60   2HG2  ILE   7          2HG2      ILE   7   9.210   0.140   3.722
   61   3HG2  ILE   7          3HG2      ILE   7   8.932   0.913   5.258
   62   1HD1  ILE   7          1HD1      ILE   7   5.776  -0.781   2.637
   63   2HD1  ILE   7          2HD1      ILE   7   7.442  -0.697   1.967
   64   3HD1  ILE   7          3HD1      ILE   7   6.493  -2.244   1.909
   65    H    SER   8           H        SER   8   7.001  -1.176   8.454
   66    HA   SER   8           HA       SER   8   8.133  -3.818   8.226
   67   1HB   SER   8          1HB       SER   8   9.699  -2.956   7.757
   68   2HB   SER   8          2HB       SER   8   9.265  -1.497   8.206
   69    HG   SER   8           HG       SER   8   9.907  -2.052  10.482
   70    H    ASP   9           H        ASP   9   6.556  -1.209  10.163
   71    HA   ASP   9           HA       ASP   9   6.548  -3.001  12.388
   72   1HB   ASP   9          1HB       ASP   9   4.735  -0.680  11.596
   73   2HB   ASP   9          2HB       ASP   9   4.809  -1.189  13.259
   74    H    TYR  10           H        TYR  10   5.121  -3.082   9.383
   75    HA   TYR  10           HA       TYR  10   2.681  -4.350  10.400
   76   1HB   TYR  10          1HB       TYR  10   1.324  -3.230   8.926
   77   2HB   TYR  10          2HB       TYR  10   2.395  -2.045   9.543
   78    HD1  TYR  10           HD1      TYR  10   4.352  -3.505   6.971
   79    HD2  TYR  10           HD2      TYR  10   1.046  -0.834   7.734
   80    HE1  TYR  10           HE1      TYR  10   4.672  -2.545   4.838
   81    HE2  TYR  10           HE2      TYR  10   1.604   0.338   5.622
   82    HH   TYR  10           HH       TYR  10   3.064   0.408   3.798
   83    H    THR  11           H        THR  11   2.043  -6.277   9.270
   84    HA   THR  11           HA       THR  11   4.244  -7.607   7.841
   85    HB   THR  11           HB       THR  11   3.438  -9.401   8.462
   86    HG1  THR  11           HG1      THR  11   1.343 -10.193   7.919
   87   1HG2  THR  11          1HG2      THR  11   2.525  -8.311  10.451
   88   2HG2  THR  11          2HG2      THR  11   0.978  -8.065   9.607
   89   3HG2  THR  11          3HG2      THR  11   1.515  -9.679   9.995
   90    H    GLU  12           H        GLU  12   3.586  -8.796   5.762
   91    HA   GLU  12           HA       GLU  12   3.089  -6.787   3.776
   92   1HB   GLU  12          1HB       GLU  12   4.563  -8.943   3.723
   93   2HB   GLU  12          2HB       GLU  12   3.030  -9.821   3.540
   94   1HG   GLU  12          1HG       GLU  12   2.652  -7.920   1.679
   95   2HG   GLU  12          2HG       GLU  12   4.368  -7.849   1.690
   96    H    ALA  13           H        ALA  13   1.100  -8.878   5.560
   97    HA   ALA  13           HA       ALA  13  -1.169  -8.904   3.603
   98   1HB   ALA  13          1HB       ALA  13  -0.746 -11.010   4.867
   99   2HB   ALA  13          3HB       ALA  13  -0.950 -10.125   6.401
  100   3HB   ALA  13          2HB       ALA  13  -2.318 -10.298   5.284
  101    H    GLU  14           H        GLU  14   0.019  -7.508   6.551
  102    HA   GLU  14           HA       GLU  14  -2.184  -5.975   7.418
  103   1HB   GLU  14          1HB       GLU  14   0.601  -6.435   7.945
  104   2HB   GLU  14          2HB       GLU  14   0.396  -4.689   7.820
  105   1HG   GLU  14          1HG       GLU  14  -1.549  -5.079   9.387
  106   2HG   GLU  14          2HG       GLU  14  -0.910  -6.770   9.515
  107    H    PHE  15           H        PHE  15   0.497  -5.243   5.163
  108    HA   PHE  15           HA       PHE  15  -0.605  -2.601   4.562
  109   1HB   PHE  15          1HB       PHE  15   1.805  -3.355   4.388
  110   2HB   PHE  15          2HB       PHE  15   1.379  -4.259   2.953
  111    HD1  PHE  15           HD1      PHE  15   0.078  -0.781   3.738
  112    HD2  PHE  15           HD2      PHE  15   2.830  -3.148   1.419
  113    HE1  PHE  15           HE1      PHE  15   0.796   1.239   2.532
  114    HE2  PHE  15           HE2      PHE  15   3.594  -1.092   0.254
  115    HZ   PHE  15           HZ       PHE  15   2.623   1.097   0.852
  116    H    LEU  16           H        LEU  16  -0.898  -5.937   3.256
  117    HA   LEU  16           HA       LEU  16  -2.035  -5.043   0.765
  118   1HB   LEU  16          1HB       LEU  16  -1.124  -7.278   1.196
  119   2HB   LEU  16          2HB       LEU  16  -2.416  -7.608   2.338
  120    HG   LEU  16           HG       LEU  16  -4.052  -7.836   0.762
  121   1HD1  LEU  16          1HD1      LEU  16  -3.582  -5.821  -0.687
  122   2HD1  LEU  16          2HD1      LEU  16  -2.315  -6.774  -1.494
  123   3HD1  LEU  16          3HD1      LEU  16  -4.034  -7.263  -1.519
  124   1HD2  LEU  16          1HD2      LEU  16  -2.284  -9.671   0.578
  125   2HD2  LEU  16          2HD2      LEU  16  -3.082  -9.423  -0.979
  126   3HD2  LEU  16          3HD2      LEU  16  -1.453  -8.762  -0.695
  127    H    GLN  17           H        GLN  17  -3.343  -5.678   3.935
  128    HA   GLN  17           HA       GLN  17  -5.944  -5.481   3.444
  129   1HB   GLN  17          1HB       GLN  17  -5.298  -6.615   5.400
  130   2HB   GLN  17          2HB       GLN  17  -4.080  -5.399   5.800
  131   1HG   GLN  17          1HG       GLN  17  -5.709  -3.842   6.530
  132   2HG   GLN  17          2HG       GLN  17  -7.014  -4.989   6.113
  133   2HE2  GLN  17          2HE2      GLN  17  -4.619  -4.033   8.513
  134   1HE2  GLN  17          1HE2      GLN  17  -4.986  -5.313   9.649
  135    H    LEU  18           H        LEU  18  -3.340  -3.283   4.112
  136    HA   LEU  18           HA       LEU  18  -4.925  -1.106   4.948
  137   1HB   LEU  18          1HB       LEU  18  -2.538  -1.485   5.490
  138   2HB   LEU  18          2HB       LEU  18  -2.089  -1.070   3.834
  139    HG   LEU  18           HG       LEU  18  -3.609   0.830   5.609
  140   1HD1  LEU  18          1HD1      LEU  18  -1.540   0.080   6.783
  141   2HD1  LEU  18          2HD1      LEU  18  -0.584   0.647   5.392
  142   3HD1  LEU  18          3HD1      LEU  18  -1.525   1.785   6.371
  143   1HD2  LEU  18          1HD2      LEU  18  -1.835   1.194   3.138
  144   2HD2  LEU  18          2HD2      LEU  18  -3.551   1.623   3.314
  145   3HD2  LEU  18          3HD2      LEU  18  -2.334   2.543   4.170
  146    H    VAL  19           H        VAL  19  -3.540  -2.195   1.936
  147    HA   VAL  19           HA       VAL  19  -4.020   0.088  -0.031
  148    HB   VAL  19           HB       VAL  19  -3.627  -2.872  -0.187
  149   1HG1  VAL  19          1HG1      VAL  19  -4.049  -0.765  -2.341
  150   2HG1  VAL  19          2HG1      VAL  19  -3.525  -2.447  -2.560
  151   3HG1  VAL  19          3HG1      VAL  19  -5.128  -2.149  -2.005
  152   1HG2  VAL  19          1HG2      VAL  19  -1.929  -0.628   0.272
  153   2HG2  VAL  19          2HG2      VAL  19  -1.461  -2.238  -0.194
  154   3HG2  VAL  19          3HG2      VAL  19  -1.786  -0.998  -1.448
  155    H    THR  20           H        THR  20  -5.616  -2.879   1.284
  156    HA   THR  20           HA       THR  20  -8.067  -2.870  -0.170
  157    HB   THR  20           HB       THR  20  -6.555  -4.259   1.935
  158    HG1  THR  20           HG1      THR  20  -6.239  -4.994   0.009
  159   1HG2  THR  20          1HG2      THR  20  -8.434  -4.327   3.219
  160   2HG2  THR  20          2HG2      THR  20  -9.385  -5.016   1.857
  161   3HG2  THR  20          3HG2      THR  20  -8.003  -5.908   2.576
  162    H    THR  21           H        THR  21  -7.027  -1.322   2.879
  163    HA   THR  21           HA       THR  21  -9.624  -0.530   3.799
  164    HB   THR  21           HB       THR  21  -6.860  -0.375   4.562
  165    HG1  THR  21           HG1      THR  21  -8.842  -0.880   5.832
  166   1HG2  THR  21          1HG2      THR  21  -6.827   2.009   3.765
  167   2HG2  THR  21          2HG2      THR  21  -8.204   2.373   4.795
  168   3HG2  THR  21          3HG2      THR  21  -6.636   1.911   5.492
  169    H    ILE  22           H        ILE  22  -7.402   0.610   1.337
  170    HA   ILE  22           HA       ILE  22  -8.595   3.278   1.105
  171    HB   ILE  22           HB       ILE  22  -6.646   2.093  -0.905
  172   1HG1  ILE  22          1HG1      ILE  22  -6.037   2.860   1.932
  173   2HG1  ILE  22          2HG1      ILE  22  -5.417   1.541   0.921
  174   1HG2  ILE  22          1HG2      ILE  22  -7.786   4.319  -1.193
  175   2HG2  ILE  22          2HG2      ILE  22  -6.845   4.894   0.214
  176   3HG2  ILE  22          3HG2      ILE  22  -6.024   4.308  -1.260
  177   1HD1  ILE  22          1HD1      ILE  22  -4.080   3.150  -0.356
  178   2HD1  ILE  22          2HD1      ILE  22  -4.697   4.419   0.726
  179   3HD1  ILE  22          3HD1      ILE  22  -3.695   3.121   1.393
  180    H    CYS  23           H        CYS  23  -8.157   0.319  -0.855
  181    HA   CYS  23           HA       CYS  23 -10.177   0.861  -2.755
  182   1HB   CYS  23          2HB       CYS  23  -9.385  -1.934  -1.747
  183   2HB   CYS  23          1HB       CYS  23 -10.177  -1.490  -3.245
  184    H    ASN  24           H        ASN  24 -10.355   0.347   0.661
  185    HA   ASN  24           HA       ASN  24 -13.334  -0.214   0.325
  186   1HB   ASN  24          1HB       ASN  24 -12.185  -1.957   1.566
  187   2HB   ASN  24          2HB       ASN  24 -11.771  -0.801   2.833
  188   2HD2  ASN  24          2HD2      ASN  24 -13.329  -1.105   4.700
  189   1HD2  ASN  24          1HD2      ASN  24 -14.970  -1.477   4.310
  190    H    ALA  25           H        ALA  25 -11.237   2.340   1.516
  191    HA   ALA  25           HA       ALA  25 -11.730   4.468   2.303
  192   1HB   ALA  25          1HB       ALA  25 -14.526   3.778   1.161
  193   2HB   ALA  25          3HB       ALA  25 -14.103   5.344   1.810
  194   3HB   ALA  25          2HB       ALA  25 -13.254   4.728   0.372
  195    H    ASP  26           H        ASP  26 -11.801   2.127   3.737
  196    HA   ASP  26           HA       ASP  26 -13.499   1.672   5.932
  197   1HB   ASP  26          1HB       ASP  26 -11.967   0.418   4.619
  198   2HB   ASP  26          2HB       ASP  26 -10.610   1.220   5.426
  199    H    THR  27           H        THR  27 -12.761   4.089   5.611
  200    HA   THR  27           HA       THR  27 -10.938   5.243   7.719
  201    HB   THR  27           HB       THR  27 -10.135   6.642   6.112
  202    HG1  THR  27           HG1      THR  27 -12.359   5.830   4.567
  203   1HG2  THR  27          1HG2      THR  27  -9.239   4.391   5.873
  204   2HG2  THR  27          2HG2      THR  27 -10.394   4.075   4.560
  205   3HG2  THR  27          3HG2      THR  27  -9.204   5.345   4.380
  206    H    SER  28           H        SER  28 -10.986   7.777   7.610
  207    HA   SER  28           HA       SER  28 -13.357   8.769   8.743
  208   1HB   SER  28          1HB       SER  28 -12.169  10.959   8.234
  209   2HB   SER  28          2HB       SER  28 -11.261   9.714   9.166
  210    HG   SER  28           HG       SER  28  -9.976  10.646   7.624
  211    H    SER  29           H        SER  29 -12.356   8.341   5.594
  212    HA   SER  29           HA       SER  29 -14.137   7.611   4.136
  213   1HB   SER  29          1HB       SER  29 -15.511   9.763   4.950
  214   2HB   SER  29          2HB       SER  29 -16.123   8.673   3.736
  215    HG   SER  29           HG       SER  29 -15.365   7.560   6.212
  216    H    GLU  30           H        GLU  30 -12.232  10.094   4.086
  217    HA   GLU  30           HA       GLU  30 -12.195   9.887   1.412
  218   1HB   GLU  30          1HB       GLU  30 -14.036  11.672   1.483
  219   2HB   GLU  30          2HB       GLU  30 -12.934  12.732   2.345
  220   1HG   GLU  30          1HG       GLU  30 -11.559  12.966   0.284
  221   2HG   GLU  30          2HG       GLU  30 -12.658  11.866  -0.562
  222    H    GLU  31           H        GLU  31 -11.005  10.947   4.210
  223    HA   GLU  31           HA       GLU  31  -8.850  12.511   3.460
  224   1HB   GLU  31          1HB       GLU  31 -10.701  12.722   5.056
  225   2HB   GLU  31          2HB       GLU  31  -9.931  11.513   5.665
  226   1HG   GLU  31          1HG       GLU  31  -8.086  13.660   5.464
  227   2HG   GLU  31          2HG       GLU  31  -9.541  14.031   6.457
  228    H    GLU  32           H        GLU  32  -9.060  10.309   5.781
  229    HA   GLU  32           HA       GLU  32  -6.578   8.983   6.163
  230   1HB   GLU  32          1HB       GLU  32  -9.268   8.276   6.259
  231   2HB   GLU  32          2HB       GLU  32  -8.057   6.942   6.227
  232   1HG   GLU  32          1HG       GLU  32  -7.967   9.305   8.021
  233   2HG   GLU  32          2HG       GLU  32  -8.800   7.849   8.431
  234    H    LEU  33           H        LEU  33  -9.069   8.651   3.581
  235    HA   LEU  33           HA       LEU  33  -7.851   6.613   2.104
  236   1HB   LEU  33          1HB       LEU  33  -9.790   8.847   1.594
  237   2HB   LEU  33          2HB       LEU  33  -9.204   7.989   0.184
  238    HG   LEU  33           HG       LEU  33  -9.953   6.341   2.586
  239   1HD1  LEU  33          1HD1      LEU  33 -11.662   8.026   2.522
  240   2HD1  LEU  33          2HD1      LEU  33 -12.028   7.708   0.795
  241   3HD1  LEU  33          3HD1      LEU  33 -12.351   6.516   2.067
  242   1HD2  LEU  33          1HD2      LEU  33  -9.068   5.460   0.363
  243   2HD2  LEU  33          2HD2      LEU  33 -10.669   4.815   0.651
  244   3HD2  LEU  33          3HD2      LEU  33 -10.465   6.146  -0.469
  245    H    VAL  34           H        VAL  34  -7.696  10.137   1.379
  246    HA   VAL  34           HA       VAL  34  -5.711  10.101  -0.619
  247    HB   VAL  34           HB       VAL  34  -6.822  11.988   1.245
  248   1HG1  VAL  34          1HG1      VAL  34  -4.582  12.680  -0.700
  249   2HG1  VAL  34          2HG1      VAL  34  -5.623  13.884   0.100
  250   3HG1  VAL  34          3HG1      VAL  34  -4.540  12.875   1.065
  251   1HG2  VAL  34          1HG2      VAL  34  -8.113  11.304  -0.716
  252   2HG2  VAL  34          2HG2      VAL  34  -7.711  13.023  -0.781
  253   3HG2  VAL  34          3HG2      VAL  34  -6.794  11.858  -1.774
  254    H    LYS  35           H        LYS  35  -5.596   9.829   2.801
  255    HA   LYS  35           HA       LYS  35  -2.740  10.504   3.175
  256   1HB   LYS  35          1HB       LYS  35  -4.356  11.548   4.456
  257   2HB   LYS  35          2HB       LYS  35  -5.177  10.010   4.752
  258   1HG   LYS  35          1HG       LYS  35  -3.479   9.196   6.052
  259   2HG   LYS  35          2HG       LYS  35  -2.533  10.683   5.932
  260   1HD   LYS  35          1HD       LYS  35  -4.417  12.042   6.747
  261   2HD   LYS  35          2HD       LYS  35  -5.468  10.641   6.752
  262   1HE   LYS  35          1HE       LYS  35  -3.903   9.716   8.602
  263   2HE   LYS  35          2HE       LYS  35  -3.420  11.431   8.774
  264   1HZ   LYS  35          1HZ       LYS  35  -6.047  11.697   8.670
  265   2HZ   LYS  35          2HZ       LYS  35  -5.984  10.110   9.118
  266   3HZ   LYS  35          3HZ       LYS  35  -5.333  11.224  10.117
  267    H    LEU  36           H        LEU  36  -4.748   7.510   3.083
  268    HA   LEU  36           HA       LEU  36  -2.685   5.772   3.884
  269   1HB   LEU  36          1HB       LEU  36  -5.589   5.779   2.853
  270   2HB   LEU  36          2HB       LEU  36  -4.760   4.265   3.070
  271    HG   LEU  36           HG       LEU  36  -4.839   6.245   5.304
  272   1HD1  LEU  36          1HD1      LEU  36  -6.750   4.067   4.606
  273   2HD1  LEU  36          2HD1      LEU  36  -6.725   4.949   6.176
  274   3HD1  LEU  36          3HD1      LEU  36  -7.098   5.752   4.636
  275   1HD2  LEU  36          1HD2      LEU  36  -3.229   4.304   5.431
  276   2HD2  LEU  36          2HD2      LEU  36  -4.434   4.393   6.727
  277   3HD2  LEU  36          3HD2      LEU  36  -4.628   3.221   5.397
  278    H    VAL  37           H        VAL  37  -4.153   7.228   1.005
  279    HA   VAL  37           HA       VAL  37  -2.859   5.683  -0.981
  280    HB   VAL  37           HB       VAL  37  -4.136   8.393  -0.778
  281   1HG1  VAL  37          1HG1      VAL  37  -2.478   7.748  -3.223
  282   2HG1  VAL  37          2HG1      VAL  37  -3.714   9.027  -3.095
  283   3HG1  VAL  37          3HG1      VAL  37  -2.271   9.123  -2.110
  284   1HG2  VAL  37          1HG2      VAL  37  -5.456   6.431  -1.259
  285   2HG2  VAL  37          2HG2      VAL  37  -5.516   7.601  -2.580
  286   3HG2  VAL  37          3HG2      VAL  37  -4.504   6.130  -2.731
  287    H    THR  38           H        THR  38  -1.992   8.791   0.545
  288    HA   THR  38           HA       THR  38   0.575   8.945  -0.510
  289    HB   THR  38           HB       THR  38  -0.795  10.362   1.254
  290    HG1  THR  38           HG1      THR  38  -0.017  10.642  -1.416
  291   1HG2  THR  38          1HG2      THR  38   1.495  10.776   2.035
  292   2HG2  THR  38          2HG2      THR  38   2.016  11.035   0.354
  293   3HG2  THR  38          3HG2      THR  38   0.945  12.212   1.149
  294    H    HIS  39           H        HIS  39  -0.589   7.696   2.709
  295    HA   HIS  39           HA       HIS  39   1.898   6.992   3.736
  296   1HB   HIS  39          1HB       HIS  39  -0.455   6.558   4.781
  297   2HB   HIS  39          2HB       HIS  39  -0.444   5.229   3.667
  298    HD1  HIS  39           HD1      HIS  39   2.653   6.170   5.903
  299    HD2  HIS  39           HD2      HIS  39  -0.263   3.192   5.197
  300    HE1  HIS  39           HE1      HIS  39   2.980   4.435   7.644
  301    H    PHE  40           H        PHE  40   0.075   5.528   0.974
  302    HA   PHE  40           HA       PHE  40   1.839   3.195   0.974
  303   1HB   PHE  40          1HB       PHE  40  -0.462   3.319  -0.155
  304   2HB   PHE  40          2HB       PHE  40   0.335   4.177  -1.472
  305    HD1  PHE  40           HD1      PHE  40   2.471   3.040  -2.517
  306    HD2  PHE  40           HD2      PHE  40  -0.377   0.976  -0.051
  307    HE1  PHE  40           HE1      PHE  40   3.224   0.877  -3.443
  308    HE2  PHE  40           HE2      PHE  40   0.410  -1.208  -1.006
  309    HZ   PHE  40           HZ       PHE  40   2.118  -1.244  -2.765
  310    H    GLU  41           H        GLU  41   1.603   6.066  -1.032
  311    HA   GLU  41           HA       GLU  41   3.886   6.078  -2.541
  312   1HB   GLU  41          1HB       GLU  41   2.939   8.469  -1.392
  313   2HB   GLU  41          2HB       GLU  41   3.753   8.255  -2.943
  314   1HG   GLU  41          1HG       GLU  41   1.750   6.959  -3.701
  315   2HG   GLU  41          2HG       GLU  41   0.979   7.354  -2.218
  316    H    GLU  42           H        GLU  42   3.679   6.603   0.863
  317    HA   GLU  42           HA       GLU  42   6.181   7.884   1.317
  318   1HB   GLU  42          1HB       GLU  42   4.290   8.583   2.434
  319   2HB   GLU  42          2HB       GLU  42   4.239   6.941   2.913
  320   1HG   GLU  42          1HG       GLU  42   6.672   8.230   3.821
  321   2HG   GLU  42          2HG       GLU  42   5.177   9.004   4.397
  322    H    MET  43           H        MET  43   4.526   5.107   2.435
  323    HA   MET  43           HA       MET  43   6.206   4.041   4.060
  324   1HB   MET  43          1HB       MET  43   4.094   2.814   2.289
  325   2HB   MET  43          2HB       MET  43   5.052   1.721   3.205
  326   1HG   MET  43          1HG       MET  43   3.676   4.017   4.544
  327   2HG   MET  43          2HG       MET  43   2.851   2.499   4.176
  328   1HE   MET  43          1HE       MET  43   4.835   4.562   6.269
  329   2HE   MET  43          2HE       MET  43   5.126   3.630   7.714
  330   3HE   MET  43          3HE       MET  43   6.336   3.626   6.401
  331    H    THR  44           H        THR  44   5.895   3.251   0.683
  332    HA   THR  44           HA       THR  44   7.853   1.111   1.005
  333    HB   THR  44           HB       THR  44   5.708   0.328   0.433
  334    HG1  THR  44           HG1      THR  44   7.365   0.305  -1.826
  335   1HG2  THR  44          1HG2      THR  44   5.632   2.601  -1.464
  336   2HG2  THR  44          2HG2      THR  44   5.018   1.076  -2.115
  337   3HG2  THR  44          3HG2      THR  44   4.347   1.720  -0.624
  338    H    GLU  45           H        GLU  45   8.246   4.198   0.143
  339    HA   GLU  45           HA       GLU  45   9.791   5.286  -1.216
  340   1HB   GLU  45          1HB       GLU  45  11.136   2.639  -1.173
  341   2HB   GLU  45          2HB       GLU  45  11.956   4.154  -1.365
  342   1HG   GLU  45          1HG       GLU  45  11.971   4.566   0.943
  343   2HG   GLU  45          2HG       GLU  45  10.513   3.605   1.256
  344    H    HIS  46           H        HIS  46   7.567   4.026  -2.673
  345    HA   HIS  46           HA       HIS  46   8.887   2.342  -4.652
  346   1HB   HIS  46          1HB       HIS  46   7.003   1.406  -3.461
  347   2HB   HIS  46          2HB       HIS  46   5.942   2.695  -4.051
  348    HD1  HIS  46           HD1      HIS  46   5.049   2.440  -6.529
  349    HD2  HIS  46           HD2      HIS  46   7.823  -0.538  -5.403
  350    HE1  HIS  46           HE1      HIS  46   5.268   0.741  -8.473
  351    HA   PRO  47           HA       PRO  47   8.871   5.151  -8.169
  352   1HB   PRO  47          2HB       PRO  47   7.592   2.686  -9.403
  353   2HB   PRO  47          1HB       PRO  47   8.877   3.740 -10.063
  354   1HG   PRO  47          1HG       PRO  47   9.383   1.313  -8.663
  355   2HG   PRO  47          2HG       PRO  47  10.501   2.698  -8.659
  356   1HD   PRO  47          1HD       PRO  47   8.732   1.553  -6.727
  357   2HD   PRO  47          2HD       PRO  47  10.175   2.522  -6.508
  358    H    SER  48           H        SER  48   6.044   3.080  -8.045
  359    HA   SER  48           HA       SER  48   4.499   5.136  -9.345
  360   1HB   SER  48          1HB       SER  48   4.413   2.186  -9.357
  361   2HB   SER  48          2HB       SER  48   3.135   3.123 -10.057
  362    HG   SER  48           HG       SER  48   4.615   4.186 -11.327
  363    H    GLY  49           H        GLY  49   4.525   5.677  -7.023
  364   1HA   GLY  49          2HA       GLY  49   3.101   6.819  -5.477
  365   2HA   GLY  49          1HA       GLY  49   3.115   5.203  -4.761
  366    H    SER  50           H        SER  50   1.390   7.074  -7.338
  367    HA   SER  50           HA       SER  50  -1.165   5.918  -6.375
  368   1HB   SER  50          1HB       SER  50  -0.450   8.395  -7.962
  369   2HB   SER  50          2HB       SER  50  -2.107   7.789  -7.781
  370    HG   SER  50           HG       SER  50  -0.359   8.649  -5.666
  371    H    ASP  51           H        ASP  51   0.974   4.591  -8.495
  372    HA   ASP  51           HA       ASP  51  -0.672   4.381 -10.799
  373   1HB   ASP  51          1HB       ASP  51   1.926   3.738 -11.558
  374   2HB   ASP  51          2HB       ASP  51   0.894   4.956 -12.114
  375    H    LEU  52           H        LEU  52   0.720   2.997  -7.795
  376    HA   LEU  52           HA       LEU  52  -0.280   0.581  -9.112
  377   1HB   LEU  52          1HB       LEU  52   0.809  -0.534  -7.059
  378   2HB   LEU  52          2HB       LEU  52   1.755  -0.166  -8.500
  379    HG   LEU  52           HG       LEU  52   3.002   1.480  -7.440
  380   1HD1  LEU  52          1HD1      LEU  52   1.201   2.565  -6.027
  381   2HD1  LEU  52          2HD1      LEU  52   1.248   1.171  -4.970
  382   3HD1  LEU  52          3HD1      LEU  52   2.685   2.240  -5.152
  383   1HD2  LEU  52          1HD2      LEU  52   3.539  -0.806  -6.932
  384   2HD2  LEU  52          2HD2      LEU  52   3.842   0.262  -5.537
  385   3HD2  LEU  52          3HD2      LEU  52   2.408  -0.785  -5.542
  386    H    ILE  53           H        ILE  53  -1.775   3.017  -8.088
  387    HA   ILE  53           HA       ILE  53  -3.089   1.431  -6.098
  388    HB   ILE  53           HB       ILE  53  -2.476   4.313  -5.881
  389   1HG1  ILE  53          1HG1      ILE  53  -0.752   2.547  -5.035
  390   2HG1  ILE  53          2HG1      ILE  53  -1.510   3.454  -3.770
  391   1HG2  ILE  53          1HG2      ILE  53  -4.485   2.508  -4.475
  392   2HG2  ILE  53          2HG2      ILE  53  -3.967   4.130  -3.890
  393   3HG2  ILE  53          3HG2      ILE  53  -4.791   3.923  -5.450
  394   1HD1  ILE  53          1HD1      ILE  53  -2.366   0.780  -4.448
  395   2HD1  ILE  53          2HD1      ILE  53  -1.080   1.247  -3.345
  396   3HD1  ILE  53          3HD1      ILE  53  -2.791   1.825  -3.074
  397    H    TYR  54           H        TYR  54  -3.355   4.065  -8.631
  398    HA   TYR  54           HA       TYR  54  -5.904   2.747  -9.446
  399   1HB   TYR  54          1HB       TYR  54  -5.804   5.719  -9.332
  400   2HB   TYR  54          2HB       TYR  54  -7.181   4.630  -9.405
  401    HD1  TYR  54           HD1      TYR  54  -7.399   3.012  -7.167
  402    HD2  TYR  54           HD2      TYR  54  -5.148   6.680  -7.271
  403    HE1  TYR  54           HE1      TYR  54  -8.071   3.464  -4.839
  404    HE2  TYR  54           HE2      TYR  54  -5.433   6.864  -4.831
  405    HH   TYR  54           HH       TYR  54  -6.675   6.169  -2.991
  406    H    TYR  55           H        TYR  55  -3.012   4.363 -10.679
  407    HA   TYR  55           HA       TYR  55  -4.266   4.577 -13.323
  408   1HB   TYR  55          2HB       TYR  55  -1.323   4.229 -13.043
  409   2HB   TYR  55          1HB       TYR  55  -2.226   5.007 -14.310
  410    HD1  TYR  55           HD1      TYR  55  -3.262   6.656 -11.204
  411    HD2  TYR  55           HD2      TYR  55  -0.016   6.223 -14.036
  412    HE1  TYR  55           HE1      TYR  55  -1.983   8.372 -10.022
  413    HE2  TYR  55           HE2      TYR  55   1.269   7.925 -12.814
  414    HH   TYR  55           HH       TYR  55   1.311   8.314 -10.283
  415    HA   PRO  56           HA       PRO  56  -2.275   0.255 -13.948
  416   1HB   PRO  56          1HB       PRO  56  -2.344  -1.571 -11.982
  417   2HB   PRO  56          2HB       PRO  56  -1.054  -0.327 -12.017
  418   1HG   PRO  56          2HG       PRO  56  -3.693  -0.166 -10.500
  419   2HG   PRO  56          1HG       PRO  56  -2.062   0.022  -9.832
  420   1HD   PRO  56          1HD       PRO  56  -3.755   1.909 -10.617
  421   2HD   PRO  56          2HD       PRO  56  -2.005   2.214 -10.713
  422    H    LYS  57           H        LYS  57  -3.582  -1.890 -14.144
  423    HA   LYS  57           HA       LYS  57  -5.648  -3.195 -13.406
  424   1HB   LYS  57          1HB       LYS  57  -6.766  -1.214 -12.564
  425   2HB   LYS  57          2HB       LYS  57  -6.900  -0.653 -14.243
  426   1HG   LYS  57          1HG       LYS  57  -8.520  -2.303 -14.798
  427   2HG   LYS  57          2HG       LYS  57  -8.073  -3.305 -13.397
  428   1HD   LYS  57          1HD       LYS  57 -10.041  -2.316 -12.759
  429   2HD   LYS  57          2HD       LYS  57  -8.806  -1.411 -11.913
  430   1HE   LYS  57          2HE       LYS  57 -10.454  -0.526 -14.330
  431   2HE   LYS  57          1HE       LYS  57 -10.467   0.161 -12.695
  432   1HZ   LYS  57          1HZ       LYS  57  -8.043   0.764 -13.251
  433   2HZ   LYS  57          2HZ       LYS  57  -8.447   0.451 -14.811
  434   3HZ   LYS  57          3HZ       LYS  57  -9.220   1.637 -14.029
  435    H    GLU  58           H        GLU  58  -4.854  -0.969 -15.709
  436    HA   GLU  58           HA       GLU  58  -6.637  -1.833 -17.563
  437   1HB   GLU  58          1HB       GLU  58  -5.622   0.406 -16.897
  438   2HB   GLU  58          2HB       GLU  58  -4.784   0.013 -18.458
  439   1HG   GLU  58          1HG       GLU  58  -6.637   1.093 -19.267
  440   2HG   GLU  58          2HG       GLU  58  -7.217  -0.575 -19.230
  441    H    GLY  59           H        GLY  59  -4.073  -2.879 -17.310
  442   1HA   GLY  59          2HA       GLY  59  -2.846  -3.934 -19.622
  443   2HA   GLY  59          1HA       GLY  59  -4.381  -4.808 -19.293
  444    H    ASP  60           H        ASP  60  -3.950  -3.963 -16.249
  445    HA   ASP  60           HA       ASP  60  -1.664  -5.614 -15.441
  446   1HB   ASP  60          1HB       ASP  60  -2.312  -2.671 -15.186
  447   2HB   ASP  60          2HB       ASP  60  -1.695  -3.457 -13.749
  448    H    ASP  61           H        ASP  61  -1.619  -5.752 -13.412
  449    HA   ASP  61           HA       ASP  61  -4.146  -6.602 -12.192
  450   1HB   ASP  61          1HB       ASP  61  -2.992  -8.560 -12.400
  451   2HB   ASP  61          2HB       ASP  61  -1.698  -7.771 -11.533
  452    H    ASP  62           H        ASP  62  -4.666  -4.573 -11.376
  453    HA   ASP  62           HA       ASP  62  -3.018  -3.286  -9.223
  454   1HB   ASP  62          2HB       ASP  62  -4.834  -1.678  -9.259
  455   2HB   ASP  62          1HB       ASP  62  -4.402  -2.042 -10.936
  456    H    SER  63           H        SER  63  -6.259  -4.657  -9.760
  457    HA   SER  63           HA       SER  63  -7.976  -5.201  -8.295
  458   1HB   SER  63          1HB       SER  63  -5.824  -7.052  -7.193
  459   2HB   SER  63          2HB       SER  63  -7.569  -7.255  -6.971
  460    HG   SER  63           HG       SER  63  -5.975  -7.625  -9.282
  461    HA   PRO  64           HA       PRO  64  -6.360  -3.412  -4.329
  462   1HB   PRO  64          2HB       PRO  64  -7.438  -5.752  -2.698
  463   2HB   PRO  64          1HB       PRO  64  -7.423  -4.014  -2.342
  464   1HG   PRO  64          1HG       PRO  64  -9.705  -5.118  -3.313
  465   2HG   PRO  64          2HG       PRO  64  -9.111  -3.621  -4.126
  466   1HD   PRO  64          1HD       PRO  64  -8.527  -6.502  -4.841
  467   2HD   PRO  64          2HD       PRO  64  -9.174  -5.241  -5.935
  468    H    SER  65           H        SER  65  -5.545  -6.363  -5.099
  469    HA   SER  65           HA       SER  65  -3.288  -6.806  -3.390
  470   1HB   SER  65          1HB       SER  65  -3.781  -9.136  -4.311
  471   2HB   SER  65          2HB       SER  65  -4.973  -8.382  -3.216
  472    HG   SER  65           HG       SER  65  -5.157  -8.757  -6.022
  473    H    GLY  66           H        GLY  66  -3.653  -6.922  -6.813
  474   1HA   GLY  66          2HA       GLY  66  -2.489  -6.873  -8.464
  475   2HA   GLY  66          1HA       GLY  66  -1.233  -7.848  -7.734
  476    H    ILE  67           H        ILE  67  -2.753  -4.589  -7.015
  477    HA   ILE  67           HA       ILE  67  -0.468  -3.255  -7.491
  478    HB   ILE  67           HB       ILE  67  -1.386  -1.588  -5.660
  479   1HG1  ILE  67          1HG1      ILE  67  -3.456  -3.661  -5.382
  480   2HG1  ILE  67          2HG1      ILE  67  -2.511  -2.750  -4.280
  481   1HG2  ILE  67          1HG2      ILE  67  -1.809  -1.598  -8.238
  482   2HG2  ILE  67          2HG2      ILE  67  -3.448  -2.145  -7.689
  483   3HG2  ILE  67          3HG2      ILE  67  -2.869  -0.605  -7.203
  484   1HD1  ILE  67          1HD1      ILE  67  -3.833  -0.666  -4.747
  485   2HD1  ILE  67          2HD1      ILE  67  -4.756  -1.485  -5.999
  486   3HD1  ILE  67          3HD1      ILE  67  -4.945  -1.948  -4.338
  487    H    VAL  68           H        VAL  68  -1.330  -4.616  -4.505
  488    HA   VAL  68           HA       VAL  68   0.987  -3.531  -3.049
  489    HB   VAL  68           HB       VAL  68  -0.568  -5.988  -2.288
  490   1HG1  VAL  68          1HG1      VAL  68   1.486  -4.888  -0.924
  491   2HG1  VAL  68          2HG1      VAL  68   0.329  -3.640  -0.531
  492   3HG1  VAL  68          3HG1      VAL  68   0.002  -5.296  -0.016
  493   1HG2  VAL  68          1HG2      VAL  68  -1.456  -3.139  -2.289
  494   2HG2  VAL  68          2HG2      VAL  68  -2.319  -4.591  -2.825
  495   3HG2  VAL  68          3HG2      VAL  68  -2.118  -4.276  -1.111
  496    H    ASN  69           H        ASN  69   0.117  -6.048  -5.057
  497    HA   ASN  69           HA       ASN  69   2.416  -7.827  -5.012
  498   1HB   ASN  69          1HB       ASN  69   0.116  -7.878  -6.161
  499   2HB   ASN  69          2HB       ASN  69   1.338  -7.758  -7.460
  500   2HD2  ASN  69          2HD2      ASN  69  -0.490  -9.965  -6.010
  501   1HD2  ASN  69          1HD2      ASN  69   0.644 -11.301  -5.813
  502    H    THR  70           H        THR  70   1.590  -4.926  -6.975
  503    HA   THR  70           HA       THR  70   3.684  -5.296  -8.525
  504    HB   THR  70           HB       THR  70   2.377  -2.687  -7.634
  505    HG1  THR  70           HG1      THR  70   1.166  -3.080  -9.601
  506   1HG2  THR  70          1HG2      THR  70   4.054  -3.061 -10.150
  507   2HG2  THR  70          2HG2      THR  70   3.061  -1.637  -9.775
  508   3HG2  THR  70          3HG2      THR  70   4.458  -2.022  -8.763
  509    H    VAL  71           H        VAL  71   3.273  -3.771  -5.483
  510    HA   VAL  71           HA       VAL  71   5.911  -2.735  -4.991
  511    HB   VAL  71           HB       VAL  71   3.439  -3.137  -3.353
  512   1HG1  VAL  71          1HG1      VAL  71   5.955  -3.742  -1.878
  513   2HG1  VAL  71          2HG1      VAL  71   4.490  -3.021  -1.171
  514   3HG1  VAL  71          3HG1      VAL  71   4.416  -4.614  -1.887
  515   1HG2  VAL  71          1HG2      VAL  71   4.561  -1.159  -4.222
  516   2HG2  VAL  71          2HG2      VAL  71   4.426  -1.132  -2.432
  517   3HG2  VAL  71          3HG2      VAL  71   5.981  -1.543  -3.228
  518    H    LYS  72           H        LYS  72   4.322  -5.720  -4.313
  519    HA   LYS  72           HA       LYS  72   6.505  -6.931  -3.069
  520   1HB   LYS  72          1HB       LYS  72   3.996  -7.827  -4.016
  521   2HB   LYS  72          2HB       LYS  72   5.123  -9.038  -4.614
  522   1HG   LYS  72          1HG       LYS  72   4.782  -9.646  -2.291
  523   2HG   LYS  72          2HG       LYS  72   6.249  -8.679  -2.220
  524   1HD   LYS  72          2HD       LYS  72   5.145  -7.434  -0.867
  525   2HD   LYS  72          1HD       LYS  72   4.355  -6.684  -2.149
  526   1HE   LYS  72          1HE       LYS  72   2.609  -8.351  -2.497
  527   2HE   LYS  72          2HE       LYS  72   3.144  -9.253  -1.115
  528   1HZ   LYS  72          1HZ       LYS  72   2.524  -7.235   0.201
  529   2HZ   LYS  72          2HZ       LYS  72   1.794  -6.646  -1.173
  530   3HZ   LYS  72          3HZ       LYS  72   1.319  -8.081  -0.461
  531    H    GLN  73           H        GLN  73   6.486  -6.222  -6.044
  532    HA   GLN  73           HA       GLN  73   8.378  -8.027  -7.004
  533   1HB   GLN  73          2HB       GLN  73   6.353  -6.394  -8.540
  534   2HB   GLN  73          1HB       GLN  73   7.572  -7.447  -9.313
  535   1HG   GLN  73          1HG       GLN  73   6.832  -9.267  -7.725
  536   2HG   GLN  73          2HG       GLN  73   5.602  -8.353  -7.162
  537   2HE2  GLN  73          2HE2      GLN  73   3.673  -8.319  -8.110
  538   1HE2  GLN  73          1HE2      GLN  73   3.287  -8.995  -9.695
  539    H    TRP  74           H        TRP  74   7.687  -4.588  -7.030
  540    HA   TRP  74           HA       TRP  74  10.277  -3.579  -7.751
  541   1HB   TRP  74          1HB       TRP  74   8.182  -2.328  -7.749
  542   2HB   TRP  74          2HB       TRP  74   8.491  -2.243  -6.003
  543    HD1  TRP  74           HD1      TRP  74   9.960  -1.318  -9.385
  544    HE1  TRP  74           HE1      TRP  74  11.973   0.240  -9.220
  545    HE3  TRP  74           HE3      TRP  74   9.943  -0.735  -4.374
  546    HZ2  TRP  74           HZ2      TRP  74  13.203   1.834  -7.150
  547    HZ3  TRP  74           HZ3      TRP  74  11.285   1.011  -3.398
  548    HH2  TRP  74           HH2      TRP  74  12.925   2.354  -4.736
  549    H    ARG  75           H        ARG  75   8.706  -3.852  -4.566
  550    HA   ARG  75           HA       ARG  75  11.084  -3.686  -3.088
  551   1HB   ARG  75          1HB       ARG  75   8.298  -4.933  -2.364
  552   2HB   ARG  75          2HB       ARG  75   9.523  -4.921  -1.217
  553   1HG   ARG  75          1HG       ARG  75   9.414  -2.173  -1.773
  554   2HG   ARG  75          2HG       ARG  75   7.819  -2.692  -2.115
  555   1HD   ARG  75          1HD       ARG  75   7.604  -2.221   0.087
  556   2HD   ARG  75          2HD       ARG  75   8.014  -3.938   0.233
  557    HE   ARG  75           HE       ARG  75   9.750  -3.306   1.558
  558   1HH1  ARG  75          1HH1      ARG  75   8.963  -0.368  -0.377
  559   2HH1  ARG  75          2HH1      ARG  75  10.186   0.522   0.506
  560   1HH2  ARG  75          1HH2      ARG  75  11.217  -1.874   2.671
  561   2HH2  ARG  75          2HH2      ARG  75  11.295  -0.200   2.112
  562    H    ALA  76           H        ALA  76  10.141  -6.154  -4.909
  563    HA   ALA  76           HA       ALA  76  11.777  -8.031  -3.316
  564   1HB   ALA  76          1HB       ALA  76   9.886  -8.710  -5.563
  565   2HB   ALA  76          3HB       ALA  76  10.886  -9.905  -4.733
  566   3HB   ALA  76          2HB       ALA  76   9.654  -9.036  -3.809
  567    H    ALA  77           H        ALA  77  11.670  -6.456  -6.209
  568    HA   ALA  77           HA       ALA  77  13.979  -7.947  -7.284
  569   1HB   ALA  77          1HB       ALA  77  12.129  -7.233  -8.870
  570   2HB   ALA  77          3HB       ALA  77  12.433  -5.540  -8.430
  571   3HB   ALA  77          2HB       ALA  77  13.662  -6.445  -9.330
  572    H    ASN  78           H        ASN  78  13.190  -4.830  -6.152
  573    HA   ASN  78           HA       ASN  78  15.893  -3.901  -5.958
  574   1HB   ASN  78          1HB       ASN  78  13.512  -2.660  -6.012
  575   2HB   ASN  78          2HB       ASN  78  13.395  -3.199  -4.410
  576   2HD2  ASN  78          2HD2      ASN  78  16.254  -2.686  -3.496
  577   1HD2  ASN  78          1HD2      ASN  78  16.506  -0.957  -3.662
  578    H    GLY  79           H        GLY  79  13.873  -5.908  -4.527
  579   1HA   GLY  79          2HA       GLY  79  15.710  -7.111  -2.627
  580   2HA   GLY  79          1HA       GLY  79  13.970  -7.448  -2.655
  581    H    LYS  80           H        LYS  80  13.270  -4.649  -2.408
  582    HA   LYS  80           HA       LYS  80  14.235  -2.945  -0.609
  583   1HB   LYS  80          1HB       LYS  80  11.445  -3.490  -0.434
  584   2HB   LYS  80          2HB       LYS  80  12.349  -2.067   0.191
  585   1HG   LYS  80          1HG       LYS  80  12.724  -2.910  -2.588
  586   2HG   LYS  80          2HG       LYS  80  11.338  -2.048  -2.221
  587   1HD   LYS  80          1HD       LYS  80  13.888  -1.296  -2.012
  588   2HD   LYS  80          2HD       LYS  80  12.902  -0.974  -3.320
  589   1HE   LYS  80          1HE       LYS  80  11.373   0.271  -1.873
  590   2HE   LYS  80          2HE       LYS  80  12.257  -0.039  -0.573
  591   1HZ   LYS  80          1HZ       LYS  80  13.961   1.242  -2.466
  592   2HZ   LYS  80          2HZ       LYS  80  12.642   2.159  -2.078
  593   3HZ   LYS  80          3HZ       LYS  80  13.623   1.681  -0.884
  594    H    SER  81           H        SER  81  12.135  -5.289   0.532
  595    HA   SER  81           HA       SER  81  11.796  -6.611   2.347
  596   1HB   SER  81          1HB       SER  81  14.143  -5.733   3.376
  597   2HB   SER  81          2HB       SER  81  13.232  -7.147   3.901
  598    HG   SER  81           HG       SER  81  14.642  -6.814   1.417
  599    H    GLY  82           H        GLY  82  11.329  -6.244   4.478
  600   1HA   GLY  82          2HA       GLY  82   9.716  -3.835   4.736
  601   2HA   GLY  82          1HA       GLY  82  11.055  -3.823   5.871
  602    H    PHE  83           H        PHE  83   8.562  -6.000   4.687
  603    HA   PHE  83           HA       PHE  83   7.309  -5.717   7.041
  604   1HB   PHE  83          2HB       PHE  83   6.562  -8.084   5.306
  605   2HB   PHE  83          1HB       PHE  83   5.564  -7.060   6.264
  606    HD1  PHE  83           HD1      PHE  83   4.449  -5.086   5.550
  607    HD2  PHE  83           HD2      PHE  83   6.902  -7.544   3.092
  608    HE1  PHE  83           HE1      PHE  83   3.625  -3.999   3.692
  609    HE2  PHE  83           HE2      PHE  83   6.240  -6.370   1.139
  610    HZ   PHE  83           HZ       PHE  83   4.419  -4.550   1.255
  611    H    LYS  84           H        LYS  84   6.287  -7.359   7.647
  612    HA   LYS  84           HA       LYS  84   7.353  -8.690   9.943
  613   1HB   LYS  84          1HB       LYS  84   6.409  -6.413   9.657
  614   2HB   LYS  84          2HB       LYS  84   4.936  -7.373   9.694
  615   1HG   LYS  84          1HG       LYS  84   5.886  -8.588  11.792
  616   2HG   LYS  84          2HG       LYS  84   7.241  -7.459  11.702
  617   1HD   LYS  84          1HD       LYS  84   5.689  -6.791  13.252
  618   2HD   LYS  84          2HD       LYS  84   5.763  -5.640  11.834
  619   1HE   LYS  84          1HE       LYS  84   3.657  -6.387  11.008
  620   2HE   LYS  84          2HE       LYS  84   3.689  -7.843  12.011
  621   1HZ   LYS  84          1HZ       LYS  84   3.308  -5.186  13.147
  622   2HZ   LYS  84          2HZ       LYS  84   2.090  -6.080  12.500
  623   3HZ   LYS  84          3HZ       LYS  84   2.910  -6.736  13.775
  624    H    GLN  85           H        GLN  85   5.308  -9.621  10.714
  625    HA   GLN  85           HA       GLN  85   4.431 -11.999   9.141
  626   1HB   GLN  85          1HB       GLN  85   6.479 -12.250  10.568
  627   2HB   GLN  85          2HB       GLN  85   5.078 -13.083  11.319
  628   1HG   GLN  85          1HG       GLN  85   5.780 -13.501   8.465
  629   2HG   GLN  85          2HG       GLN  85   6.623 -14.370   9.751
  630   2HE2  GLN  85          2HE2      GLN  85   2.974 -13.629   9.667
  631   1HE2  GLN  85          1HE2      GLN  85   2.639 -15.341   9.642
  632    H    GLY  86           H        GLY  86   4.444 -10.809  12.369
  633   1HA   GLY  86          2HA       GLY  86   2.099 -11.231  13.606
  634   2HA   GLY  86          1HA       GLY  86   1.706 -10.011  12.357

  No H/Q in entry =         634
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -7.241  -0.389   8.732
    2    H2   MET   1           H2       MET   1  -7.699  -0.072  10.247
    3    H3   MET   1           H3       MET   1  -8.746   0.244   8.972
    4    HA   MET   1           HA       MET   1  -7.346   1.897   8.103
    5   1HB   MET   1          1HB       MET   1  -8.819   2.328  10.414
    6   2HB   MET   1          2HB       MET   1  -7.237   2.990  10.848
    7   1HG   MET   1          1HG       MET   1  -7.174   4.318   8.812
    8   2HG   MET   1          2HG       MET   1  -8.760   3.705   8.334
    9   1HE   MET   1          1HE       MET   1 -10.984   4.146   9.778
   10   2HE   MET   1          2HE       MET   1 -10.299   3.822  11.382
   11   3HE   MET   1          3HE       MET   1 -11.122   5.364  11.056
   12    H    GLU   2           H        GLU   2  -6.027   1.009  11.362
   13    HA   GLU   2           HA       GLU   2  -3.946   1.315  12.202
   14   1HB   GLU   2          1HB       GLU   2  -3.342  -0.141   9.611
   15   2HB   GLU   2          2HB       GLU   2  -2.340  -0.144  11.055
   16   1HG   GLU   2          1HG       GLU   2  -3.598  -2.229  10.932
   17   2HG   GLU   2          2HG       GLU   2  -4.089  -1.296  12.337
   18    H    LEU   3           H        LEU   3  -1.439   1.652  10.224
   19    HA   LEU   3           HA       LEU   3  -1.684   3.258   8.371
   20   1HB   LEU   3          1HB       LEU   3  -1.845   4.859  10.822
   21   2HB   LEU   3          2HB       LEU   3  -0.322   5.210   9.994
   22    HG   LEU   3           HG       LEU   3  -2.947   4.903   8.609
   23   1HD1  LEU   3          1HD1      LEU   3  -3.162   6.905  10.032
   24   2HD1  LEU   3          2HD1      LEU   3  -1.633   7.569   9.365
   25   3HD1  LEU   3          3HD1      LEU   3  -3.074   7.391   8.340
   26   1HD2  LEU   3          1HD2      LEU   3  -0.179   5.925   7.777
   27   2HD2  LEU   3          2HD2      LEU   3  -1.239   4.765   6.939
   28   3HD2  LEU   3          3HD2      LEU   3  -1.585   6.494   6.883
   29    H    LYS   4           H        LYS   4   0.455   3.759  10.835
   30    HA   LYS   4           HA       LYS   4   2.296   2.382  11.671
   31   1HB   LYS   4          2HB       LYS   4   2.543   1.250   8.902
   32   2HB   LYS   4          1HB       LYS   4   3.517   0.903  10.304
   33   1HG   LYS   4          1HG       LYS   4   0.484   0.562  10.550
   34   2HG   LYS   4          2HG       LYS   4   1.410  -0.615   9.727
   35   1HD   LYS   4          1HD       LYS   4   2.921  -0.655  11.835
   36   2HD   LYS   4          2HD       LYS   4   1.689   0.335  12.606
   37   1HE   LYS   4          2HE       LYS   4   1.610  -2.549  11.724
   38   2HE   LYS   4          1HE       LYS   4   1.318  -1.884  13.321
   39   1HZ   LYS   4          1HZ       LYS   4  -0.839  -1.040  12.423
   40   2HZ   LYS   4          2HZ       LYS   4  -0.450  -1.758  10.950
   41   3HZ   LYS   4          3HZ       LYS   4  -0.627  -2.686  12.163
   42    H    HIS   5           H        HIS   5   4.580   2.590  11.270
   43    HA   HIS   5           HA       HIS   5   5.048   5.408  10.593
   44   1HB   HIS   5          2HB       HIS   5   7.022   3.953  12.277
   45   2HB   HIS   5          1HB       HIS   5   6.369   5.563  12.463
   46    HD1  HIS   5           HD1      HIS   5   3.930   5.613  13.898
   47    HD2  HIS   5           HD2      HIS   5   5.691   1.934  13.017
   48    HE1  HIS   5           HE1      HIS   5   2.456   3.855  15.044
   49    H    SER   6           H        SER   6   6.039   2.322  10.129
   50    HA   SER   6           HA       SER   6   7.677   2.972   7.891
   51   1HB   SER   6          1HB       SER   6   8.497   0.577   8.936
   52   2HB   SER   6          2HB       SER   6   9.227   2.200   9.094
   53    HG   SER   6           HG       SER   6   9.016   1.054  11.114
   54    H    ILE   7           H        ILE   7   7.664   1.519   6.326
   55    HA   ILE   7           HA       ILE   7   5.581  -0.291   5.718
   56    HB   ILE   7           HB       ILE   7   6.841   0.548   3.929
   57   1HG1  ILE   7          1HG1      ILE   7   8.331  -1.194   2.873
   58   2HG1  ILE   7          2HG1      ILE   7   8.100  -2.198   4.291
   59   1HG2  ILE   7          1HG2      ILE   7   9.454  -0.116   5.291
   60   2HG2  ILE   7          2HG2      ILE   7   9.294   0.499   3.640
   61   3HG2  ILE   7          3HG2      ILE   7   8.759   1.522   4.921
   62   1HD1  ILE   7          1HD1      ILE   7   5.902  -1.024   2.540
   63   2HD1  ILE   7          2HD1      ILE   7   6.603  -2.667   2.371
   64   3HD1  ILE   7          3HD1      ILE   7   5.744  -2.212   3.850
   65    H    SER   8           H        SER   8   7.819  -0.605   8.156
   66    HA   SER   8           HA       SER   8   8.062  -3.462   7.960
   67   1HB   SER   8          1HB       SER   8  10.110  -2.998   8.081
   68   2HB   SER   8          2HB       SER   8   9.643  -1.523   7.438
   69    HG   SER   8           HG       SER   8  10.271  -1.987  10.148
   70    H    ASP   9           H        ASP   9   6.784  -0.838   9.824
   71    HA   ASP   9           HA       ASP   9   6.906  -2.555  12.200
   72   1HB   ASP   9          1HB       ASP   9   6.614   0.166  12.247
   73   2HB   ASP   9          2HB       ASP   9   4.945  -0.302  12.347
   74    H    TYR  10           H        TYR  10   5.464  -2.656   9.219
   75    HA   TYR  10           HA       TYR  10   3.459  -4.425  10.483
   76   1HB   TYR  10          1HB       TYR  10   1.674  -3.678   9.405
   77   2HB   TYR  10          2HB       TYR  10   2.499  -2.271   9.928
   78    HD1  TYR  10           HD1      TYR  10   4.438  -2.873   7.148
   79    HD2  TYR  10           HD2      TYR  10   0.314  -1.928   8.060
   80    HE1  TYR  10           HE1      TYR  10   4.227  -1.725   5.052
   81    HE2  TYR  10           HE2      TYR  10   0.208  -0.606   6.002
   82    HH   TYR  10           HH       TYR  10   1.822   0.846   4.834
   83    H    THR  11           H        THR  11   2.374  -5.792   8.811
   84    HA   THR  11           HA       THR  11   4.654  -7.232   7.539
   85    HB   THR  11           HB       THR  11   3.827  -9.043   8.340
   86    HG1  THR  11           HG1      THR  11   1.598  -9.651   8.337
   87   1HG2  THR  11          1HG2      THR  11   1.927  -7.366  10.026
   88   2HG2  THR  11          2HG2      THR  11   2.215  -9.066  10.279
   89   3HG2  THR  11          3HG2      THR  11   3.540  -7.924  10.470
   90    H    GLU  12           H        GLU  12   3.789  -8.604   5.658
   91    HA   GLU  12           HA       GLU  12   3.110  -6.707   3.667
   92   1HB   GLU  12          1HB       GLU  12   4.463  -8.957   3.589
   93   2HB   GLU  12          2HB       GLU  12   2.861  -9.717   3.392
   94   1HG   GLU  12          1HG       GLU  12   2.493  -7.824   1.613
   95   2HG   GLU  12          2HG       GLU  12   4.178  -7.571   1.705
   96    H    ALA  13           H        ALA  13   1.158  -8.589   5.715
   97    HA   ALA  13           HA       ALA  13  -1.219  -8.574   3.817
   98   1HB   ALA  13          1HB       ALA  13  -0.774 -10.753   4.961
   99   2HB   ALA  13          3HB       ALA  13  -0.922  -9.938   6.541
  100   3HB   ALA  13          2HB       ALA  13  -2.326 -10.046   5.459
  101    H    GLU  14           H        GLU  14   0.117  -7.170   6.585
  102    HA   GLU  14           HA       GLU  14  -2.004  -5.654   7.676
  103   1HB   GLU  14          1HB       GLU  14   0.750  -6.232   7.968
  104   2HB   GLU  14          2HB       GLU  14   0.670  -4.535   7.836
  105   1HG   GLU  14          1HG       GLU  14  -1.453  -6.073   9.505
  106   2HG   GLU  14          2HG       GLU  14   0.148  -6.235   9.948
  107    H    PHE  15           H        PHE  15   0.603  -4.974   5.374
  108    HA   PHE  15           HA       PHE  15  -0.218  -2.394   4.476
  109   1HB   PHE  15          1HB       PHE  15   1.976  -3.326   4.302
  110   2HB   PHE  15          2HB       PHE  15   1.435  -4.679   3.340
  111    HD1  PHE  15           HD1      PHE  15   0.980  -0.942   3.003
  112    HD2  PHE  15           HD2      PHE  15   2.151  -4.617   1.165
  113    HE1  PHE  15           HE1      PHE  15   2.215   0.344   1.276
  114    HE2  PHE  15           HE2      PHE  15   3.139  -3.354  -0.728
  115    HZ   PHE  15           HZ       PHE  15   3.333  -0.858  -0.573
  116    H    LEU  16           H        LEU  16  -0.977  -5.714   3.448
  117    HA   LEU  16           HA       LEU  16  -2.168  -4.882   0.925
  118   1HB   LEU  16          1HB       LEU  16  -1.284  -7.117   1.505
  119   2HB   LEU  16          2HB       LEU  16  -2.588  -7.316   2.673
  120    HG   LEU  16           HG       LEU  16  -4.171  -7.789   1.136
  121   1HD1  LEU  16          1HD1      LEU  16  -3.941  -5.754  -0.331
  122   2HD1  LEU  16          2HD1      LEU  16  -2.628  -6.604  -1.179
  123   3HD1  LEU  16          3HD1      LEU  16  -4.306  -7.235  -1.142
  124   1HD2  LEU  16          1HD2      LEU  16  -2.289  -9.482   0.897
  125   2HD2  LEU  16          2HD2      LEU  16  -3.171  -9.310  -0.626
  126   3HD2  LEU  16          3HD2      LEU  16  -1.585  -8.524  -0.417
  127    H    GLN  17           H        GLN  17  -3.281  -5.272   4.247
  128    HA   GLN  17           HA       GLN  17  -5.869  -5.113   3.632
  129   1HB   GLN  17          1HB       GLN  17  -5.366  -6.252   5.664
  130   2HB   GLN  17          2HB       GLN  17  -4.189  -5.018   6.153
  131   1HG   GLN  17          1HG       GLN  17  -5.798  -3.478   6.749
  132   2HG   GLN  17          2HG       GLN  17  -7.112  -4.459   6.037
  133   2HE2  GLN  17          2HE2      GLN  17  -6.094  -3.469   9.028
  134   1HE2  GLN  17          1HE2      GLN  17  -6.437  -4.940   9.913
  135    H    LEU  18           H        LEU  18  -3.260  -2.916   4.363
  136    HA   LEU  18           HA       LEU  18  -4.826  -0.773   4.978
  137   1HB   LEU  18          1HB       LEU  18  -2.485  -0.951   5.401
  138   2HB   LEU  18          2HB       LEU  18  -2.146  -0.606   3.691
  139    HG   LEU  18           HG       LEU  18  -2.350   1.291   5.393
  140   1HD1  LEU  18          1HD1      LEU  18  -2.526   1.502   2.748
  141   2HD1  LEU  18          2HD1      LEU  18  -4.169   2.005   3.156
  142   3HD1  LEU  18          3HD1      LEU  18  -2.813   2.911   3.784
  143   1HD2  LEU  18          1HD2      LEU  18  -4.329   0.548   6.505
  144   2HD2  LEU  18          2HD2      LEU  18  -4.109   2.242   6.252
  145   3HD2  LEU  18          3HD2      LEU  18  -5.222   1.356   5.191
  146    H    VAL  19           H        VAL  19  -3.580  -1.977   1.969
  147    HA   VAL  19           HA       VAL  19  -4.273   0.126  -0.051
  148    HB   VAL  19           HB       VAL  19  -3.919  -2.831  -0.209
  149   1HG1  VAL  19          1HG1      VAL  19  -5.423  -1.905  -1.982
  150   2HG1  VAL  19          2HG1      VAL  19  -4.196  -0.661  -2.329
  151   3HG1  VAL  19          3HG1      VAL  19  -3.875  -2.401  -2.554
  152   1HG2  VAL  19          1HG2      VAL  19  -2.183  -0.525   0.182
  153   2HG2  VAL  19          2HG2      VAL  19  -1.750  -2.204  -0.081
  154   3HG2  VAL  19          3HG2      VAL  19  -2.002  -1.098  -1.469
  155    H    THR  20           H        THR  20  -5.800  -2.883   1.418
  156    HA   THR  20           HA       THR  20  -8.215  -2.720  -0.090
  157    HB   THR  20           HB       THR  20  -6.823  -4.672   1.381
  158    HG1  THR  20           HG1      THR  20  -9.407  -4.719   0.253
  159   1HG2  THR  20          1HG2      THR  20  -8.011  -4.164   3.471
  160   2HG2  THR  20          2HG2      THR  20  -9.526  -4.570   2.664
  161   3HG2  THR  20          3HG2      THR  20  -8.217  -5.782   2.835
  162    H    THR  21           H        THR  21  -7.247  -1.227   2.979
  163    HA   THR  21           HA       THR  21  -9.857  -0.445   3.883
  164    HB   THR  21           HB       THR  21  -7.025  -0.172   4.535
  165    HG1  THR  21           HG1      THR  21  -9.064   0.119   6.415
  166   1HG2  THR  21          1HG2      THR  21  -8.688   2.356   4.933
  167   2HG2  THR  21          2HG2      THR  21  -7.332   1.891   5.947
  168   3HG2  THR  21          3HG2      THR  21  -7.112   2.159   4.201
  169    H    ILE  22           H        ILE  22  -7.610   0.697   1.416
  170    HA   ILE  22           HA       ILE  22  -8.828   3.289   1.156
  171    HB   ILE  22           HB       ILE  22  -6.933   2.147  -0.911
  172   1HG1  ILE  22          1HG1      ILE  22  -6.243   2.911   1.909
  173   2HG1  ILE  22          2HG1      ILE  22  -5.642   1.611   0.867
  174   1HG2  ILE  22          1HG2      ILE  22  -8.131   4.423  -1.114
  175   2HG2  ILE  22          2HG2      ILE  22  -7.023   4.971   0.171
  176   3HG2  ILE  22          3HG2      ILE  22  -6.385   4.360  -1.360
  177   1HD1  ILE  22          1HD1      ILE  22  -4.409   3.287  -0.482
  178   2HD1  ILE  22          2HD1      ILE  22  -4.935   4.500   0.714
  179   3HD1  ILE  22          3HD1      ILE  22  -3.895   3.159   1.216
  180    H    CYS  23           H        CYS  23  -8.401   0.324  -0.806
  181    HA   CYS  23           HA       CYS  23 -10.589   0.811  -2.540
  182   1HB   CYS  23          2HB       CYS  23  -9.582  -1.994  -1.753
  183   2HB   CYS  23          1HB       CYS  23 -10.470  -1.492  -3.151
  184    HG   CYS  23           HG       CYS  23  -8.607   0.133  -4.126
  185    H    ASN  24           H        ASN  24 -10.591   0.493   0.843
  186    HA   ASN  24           HA       ASN  24 -13.567  -0.176   0.632
  187   1HB   ASN  24          1HB       ASN  24 -12.362  -1.847   1.896
  188   2HB   ASN  24          2HB       ASN  24 -11.858  -0.622   3.069
  189   2HD2  ASN  24          2HD2      ASN  24 -13.140  -0.813   4.982
  190   1HD2  ASN  24          1HD2      ASN  24 -14.832  -1.233   4.897
  191    H    ALA  25           H        ALA  25 -11.515   2.437   1.656
  192    HA   ALA  25           HA       ALA  25 -11.931   4.562   2.573
  193   1HB   ALA  25          1HB       ALA  25 -14.889   3.976   1.859
  194   2HB   ALA  25          3HB       ALA  25 -14.154   5.551   2.149
  195   3HB   ALA  25          2HB       ALA  25 -13.719   4.615   0.692
  196    H    ASP  26           H        ASP  26 -12.054   2.083   3.952
  197    HA   ASP  26           HA       ASP  26 -13.529   1.607   6.182
  198   1HB   ASP  26          1HB       ASP  26 -11.806   0.355   5.197
  199   2HB   ASP  26          2HB       ASP  26 -10.616   1.566   5.550
  200    H    THR  27           H        THR  27 -12.028   4.205   5.588
  201    HA   THR  27           HA       THR  27 -10.436   5.026   7.668
  202    HB   THR  27           HB       THR  27  -9.996   6.744   6.170
  203    HG1  THR  27           HG1      THR  27 -12.489   6.027   5.048
  204   1HG2  THR  27          1HG2      THR  27  -9.328   4.410   5.747
  205   2HG2  THR  27          2HG2      THR  27 -10.430   4.518   4.336
  206   3HG2  THR  27          3HG2      THR  27  -9.068   5.667   4.547
  207    H    SER  28           H        SER  28 -10.334   7.595   7.932
  208    HA   SER  28           HA       SER  28 -12.211   8.330   9.831
  209   1HB   SER  28          1HB       SER  28 -11.417  10.640   9.413
  210   2HB   SER  28          2HB       SER  28 -10.063   9.483   9.588
  211    HG   SER  28           HG       SER  28  -9.793  10.971   7.846
  212    H    SER  29           H        SER  29 -12.251   8.415   6.489
  213    HA   SER  29           HA       SER  29 -14.372   8.567   5.264
  214   1HB   SER  29          1HB       SER  29 -15.742  10.576   5.377
  215   2HB   SER  29          2HB       SER  29 -15.980   9.386   6.676
  216    HG   SER  29           HG       SER  29 -14.763  10.758   8.002
  217    H    GLU  30           H        GLU  30 -13.031   8.699   3.800
  218    HA   GLU  30           HA       GLU  30 -12.379   9.350   2.126
  219   1HB   GLU  30          1HB       GLU  30 -14.505  10.734   2.339
  220   2HB   GLU  30          2HB       GLU  30 -13.484  12.161   2.519
  221   1HG   GLU  30          1HG       GLU  30 -12.667  11.904   0.220
  222   2HG   GLU  30          2HG       GLU  30 -13.494  10.347   0.068
  223    H    GLU  31           H        GLU  31 -11.076  10.862   4.490
  224    HA   GLU  31           HA       GLU  31  -9.004  12.358   3.414
  225   1HB   GLU  31          1HB       GLU  31 -10.845  12.740   5.010
  226   2HB   GLU  31          2HB       GLU  31  -9.933  11.749   5.820
  227   1HG   GLU  31          1HG       GLU  31  -8.278  13.863   4.943
  228   2HG   GLU  31          2HG       GLU  31  -9.664  14.426   5.939
  229    H    GLU  32           H        GLU  32  -9.272  10.324   5.882
  230    HA   GLU  32           HA       GLU  32  -6.591   9.187   6.232
  231   1HB   GLU  32          1HB       GLU  32  -9.201   8.316   6.608
  232   2HB   GLU  32          2HB       GLU  32  -7.931   7.038   6.441
  233   1HG   GLU  32          1HG       GLU  32  -8.089   9.408   8.317
  234   2HG   GLU  32          2HG       GLU  32  -8.272   7.728   8.755
  235    H    LEU  33           H        LEU  33  -9.152   8.833   3.714
  236    HA   LEU  33           HA       LEU  33  -7.868   6.671   2.376
  237   1HB   LEU  33          1HB       LEU  33  -9.870   8.806   1.688
  238   2HB   LEU  33          2HB       LEU  33  -9.207   7.870   0.362
  239    HG   LEU  33           HG       LEU  33 -10.082   6.367   2.884
  240   1HD1  LEU  33          1HD1      LEU  33 -11.800   7.892   0.849
  241   2HD1  LEU  33          2HD1      LEU  33 -12.249   6.262   1.081
  242   3HD1  LEU  33          3HD1      LEU  33 -12.242   7.301   2.508
  243   1HD2  LEU  33          1HD2      LEU  33 -10.024   5.852  -0.144
  244   2HD2  LEU  33          2HD2      LEU  33  -8.872   5.318   1.095
  245   3HD2  LEU  33          3HD2      LEU  33 -10.510   4.685   1.079
  246    H    VAL  34           H        VAL  34  -7.716  10.195   1.664
  247    HA   VAL  34           HA       VAL  34  -5.695  10.097  -0.318
  248    HB   VAL  34           HB       VAL  34  -6.586  12.056   1.588
  249   1HG1  VAL  34          1HG1      VAL  34  -4.556  12.532  -0.629
  250   2HG1  VAL  34          2HG1      VAL  34  -5.388  13.836   0.255
  251   3HG1  VAL  34          3HG1      VAL  34  -4.280  12.757   1.107
  252   1HG2  VAL  34          1HG2      VAL  34  -8.186  11.497  -0.137
  253   2HG2  VAL  34          2HG2      VAL  34  -7.599  13.146  -0.369
  254   3HG2  VAL  34          3HG2      VAL  34  -6.964  11.827  -1.390
  255    H    LYS  35           H        LYS  35  -5.615   9.764   3.208
  256    HA   LYS  35           HA       LYS  35  -2.755  10.348   3.506
  257   1HB   LYS  35          1HB       LYS  35  -4.166  11.383   4.868
  258   2HB   LYS  35          2HB       LYS  35  -5.128   9.928   5.178
  259   1HG   LYS  35          1HG       LYS  35  -3.422   8.835   6.279
  260   2HG   LYS  35          2HG       LYS  35  -2.210  10.030   5.819
  261   1HD   LYS  35          2HD       LYS  35  -3.756   9.905   8.072
  262   2HD   LYS  35          1HD       LYS  35  -2.536  11.125   7.524
  263   1HE   LYS  35          2HE       LYS  35  -4.267  12.443   8.305
  264   2HE   LYS  35          1HE       LYS  35  -4.507  12.440   6.559
  265   1HZ   LYS  35          1HZ       LYS  35  -5.934  10.695   8.481
  266   2HZ   LYS  35          2HZ       LYS  35  -6.538  12.120   7.853
  267   3HZ   LYS  35          3HZ       LYS  35  -6.263  10.857   6.877
  268    H    LEU  36           H        LEU  36  -4.936   7.368   3.313
  269    HA   LEU  36           HA       LEU  36  -2.850   5.614   3.988
  270   1HB   LEU  36          1HB       LEU  36  -5.760   5.630   3.054
  271   2HB   LEU  36          2HB       LEU  36  -4.927   4.117   3.208
  272    HG   LEU  36           HG       LEU  36  -5.229   6.104   5.368
  273   1HD1  LEU  36          1HD1      LEU  36  -7.080   4.443   4.731
  274   2HD1  LEU  36          2HD1      LEU  36  -6.029   3.421   5.792
  275   3HD1  LEU  36          3HD1      LEU  36  -6.708   4.923   6.424
  276   1HD2  LEU  36          1HD2      LEU  36  -3.293   4.037   5.543
  277   2HD2  LEU  36          2HD2      LEU  36  -3.444   5.679   6.195
  278   3HD2  LEU  36          3HD2      LEU  36  -4.351   4.399   6.957
  279    H    VAL  37           H        VAL  37  -4.216   7.268   1.225
  280    HA   VAL  37           HA       VAL  37  -2.982   5.674  -0.761
  281    HB   VAL  37           HB       VAL  37  -4.213   8.403  -0.620
  282   1HG1  VAL  37          1HG1      VAL  37  -2.579   7.677  -3.055
  283   2HG1  VAL  37          2HG1      VAL  37  -3.770   8.999  -2.932
  284   3HG1  VAL  37          3HG1      VAL  37  -2.312   9.056  -1.955
  285   1HG2  VAL  37          1HG2      VAL  37  -5.543   6.418  -1.090
  286   2HG2  VAL  37          2HG2      VAL  37  -5.612   7.588  -2.408
  287   3HG2  VAL  37          3HG2      VAL  37  -4.599   6.124  -2.567
  288    H    THR  38           H        THR  38  -2.022   8.698   0.878
  289    HA   THR  38           HA       THR  38   0.528   8.894  -0.234
  290    HB   THR  38           HB       THR  38  -0.755  10.236   1.647
  291    HG1  THR  38           HG1      THR  38  -0.187  10.641  -1.047
  292   1HG2  THR  38          1HG2      THR  38   1.592  10.640   2.244
  293   2HG2  THR  38          2HG2      THR  38   1.968  10.943   0.535
  294   3HG2  THR  38          3HG2      THR  38   0.977  12.104   1.451
  295    H    HIS  39           H        HIS  39  -0.553   7.625   2.972
  296    HA   HIS  39           HA       HIS  39   1.831   6.731   4.038
  297   1HB   HIS  39          1HB       HIS  39  -0.256   6.085   5.171
  298   2HB   HIS  39          2HB       HIS  39  -0.888   5.728   3.646
  299    HD1  HIS  39           HD1      HIS  39  -0.713   3.432   2.553
  300    HD2  HIS  39           HD2      HIS  39   0.853   3.785   6.433
  301    HE1  HIS  39           HE1      HIS  39  -0.295   1.042   3.443
  302    H    PHE  40           H        PHE  40  -0.053   5.368   1.222
  303    HA   PHE  40           HA       PHE  40   1.759   3.109   1.074
  304   1HB   PHE  40          1HB       PHE  40  -0.596   3.282   0.047
  305   2HB   PHE  40          2HB       PHE  40   0.167   4.125  -1.300
  306    HD1  PHE  40           HD1      PHE  40   2.169   2.952  -2.496
  307    HD2  PHE  40           HD2      PHE  40  -0.497   0.924   0.207
  308    HE1  PHE  40           HE1      PHE  40   2.783   0.768  -3.486
  309    HE2  PHE  40           HE2      PHE  40   0.121  -1.248  -0.871
  310    HZ   PHE  40           HZ       PHE  40   1.609  -1.303  -2.805
  311    H    GLU  41           H        GLU  41   1.487   6.034  -0.837
  312    HA   GLU  41           HA       GLU  41   3.745   6.060  -2.413
  313   1HB   GLU  41          1HB       GLU  41   2.853   8.380  -1.087
  314   2HB   GLU  41          2HB       GLU  41   3.708   8.283  -2.630
  315   1HG   GLU  41          1HG       GLU  41   1.716   7.247  -3.609
  316   2HG   GLU  41          2HG       GLU  41   0.877   7.422  -2.104
  317    H    GLU  42           H        GLU  42   3.697   6.422   1.064
  318    HA   GLU  42           HA       GLU  42   6.325   7.543   1.403
  319   1HB   GLU  42          1HB       GLU  42   4.314   8.125   2.679
  320   2HB   GLU  42          2HB       GLU  42   4.676   6.569   3.284
  321   1HG   GLU  42          1HG       GLU  42   6.498   8.900   3.581
  322   2HG   GLU  42          2HG       GLU  42   5.326   8.320   4.781
  323    H    MET  43           H        MET  43   4.634   4.853   2.557
  324    HA   MET  43           HA       MET  43   6.385   3.498   3.947
  325   1HB   MET  43          1HB       MET  43   4.029   2.556   2.262
  326   2HB   MET  43          2HB       MET  43   4.841   1.444   3.326
  327   1HG   MET  43          1HG       MET  43   3.916   4.084   4.372
  328   2HG   MET  43          2HG       MET  43   2.759   2.780   4.098
  329   1HE   MET  43          1HE       MET  43   3.275   4.400   6.753
  330   2HE   MET  43          2HE       MET  43   4.450   3.698   7.890
  331   3HE   MET  43          3HE       MET  43   5.023   4.522   6.420
  332    H    THR  44           H        THR  44   5.503   2.557   0.644
  333    HA   THR  44           HA       THR  44   7.357   0.390   0.843
  334    HB   THR  44           HB       THR  44   5.365  -0.101  -0.139
  335    HG1  THR  44           HG1      THR  44   5.846  -0.655  -2.292
  336   1HG2  THR  44          1HG2      THR  44   5.580   2.511  -1.535
  337   2HG2  THR  44          2HG2      THR  44   4.766   1.211  -2.428
  338   3HG2  THR  44          3HG2      THR  44   4.212   1.651  -0.811
  339    H    GLU  45           H        GLU  45   8.012   3.648   0.123
  340    HA   GLU  45           HA       GLU  45   9.841   4.693  -0.824
  341   1HB   GLU  45          1HB       GLU  45  10.629   3.020   0.998
  342   2HB   GLU  45          2HB       GLU  45  11.163   2.075  -0.392
  343   1HG   GLU  45          1HG       GLU  45  12.645   4.094  -0.963
  344   2HG   GLU  45          2HG       GLU  45  12.352   4.588   0.719
  345    H    HIS  46           H        HIS  46   8.062   3.895  -2.632
  346    HA   HIS  46           HA       HIS  46   9.348   2.134  -4.600
  347   1HB   HIS  46          1HB       HIS  46   7.511   1.195  -3.380
  348   2HB   HIS  46          2HB       HIS  46   6.476   2.585  -3.731
  349    HD1  HIS  46           HD1      HIS  46   5.301   2.615  -6.154
  350    HD2  HIS  46           HD2      HIS  46   7.785  -0.680  -5.340
  351    HE1  HIS  46           HE1      HIS  46   5.051   0.958  -8.113
  352    HA   PRO  47           HA       PRO  47   9.074   4.918  -8.102
  353   1HB   PRO  47          1HB       PRO  47   7.602   2.615  -9.403
  354   2HB   PRO  47          2HB       PRO  47   8.991   3.559  -9.990
  355   1HG   PRO  47          1HG       PRO  47   9.114   1.013  -8.649
  356   2HG   PRO  47          2HG       PRO  47  10.465   2.161  -8.799
  357   1HD   PRO  47          2HD       PRO  47   8.873   1.309  -6.645
  358   2HD   PRO  47          1HD       PRO  47  10.370   2.222  -6.647
  359    H    SER  48           H        SER  48   6.122   2.992  -8.186
  360    HA   SER  48           HA       SER  48   4.707   5.277  -9.223
  361   1HB   SER  48          1HB       SER  48   4.596   2.335  -9.444
  362   2HB   SER  48          2HB       SER  48   3.108   3.181  -9.769
  363    HG   SER  48           HG       SER  48   3.843   3.637 -11.568
  364    H    GLY  49           H        GLY  49   4.925   5.285  -6.395
  365   1HA   GLY  49          2HA       GLY  49   3.627   6.153  -4.684
  366   2HA   GLY  49          1HA       GLY  49   2.946   4.523  -4.630
  367    H    SER  50           H        SER  50   2.680   7.581  -6.540
  368    HA   SER  50           HA       SER  50  -0.017   7.993  -6.099
  369   1HB   SER  50          2HB       SER  50   1.487   9.029  -8.507
  370   2HB   SER  50          1HB       SER  50   0.338   9.874  -7.459
  371    HG   SER  50           HG       SER  50   1.960   9.726  -5.774
  372    H    ASP  51           H        ASP  51   0.705   5.159  -7.734
  373    HA   ASP  51           HA       ASP  51  -0.996   5.570 -10.034
  374   1HB   ASP  51          1HB       ASP  51   1.047   6.014 -11.019
  375   2HB   ASP  51          2HB       ASP  51   1.941   4.986  -9.922
  376    H    LEU  52           H        LEU  52   0.700   3.453  -7.370
  377    HA   LEU  52           HA       LEU  52  -0.481   1.248  -8.876
  378   1HB   LEU  52          1HB       LEU  52   0.789  -0.125  -7.356
  379   2HB   LEU  52          2HB       LEU  52   1.594   0.728  -8.690
  380    HG   LEU  52           HG       LEU  52   3.053   1.795  -7.379
  381   1HD1  LEU  52          1HD1      LEU  52   1.241   1.437  -4.998
  382   2HD1  LEU  52          2HD1      LEU  52   2.843   2.266  -5.024
  383   3HD1  LEU  52          3HD1      LEU  52   1.445   2.945  -5.857
  384   1HD2  LEU  52          1HD2      LEU  52   2.206  -0.659  -5.819
  385   2HD2  LEU  52          2HD2      LEU  52   3.349  -0.611  -7.172
  386   3HD2  LEU  52          3HD2      LEU  52   3.763   0.176  -5.633
  387    H    ILE  53           H        ILE  53  -2.205   2.770  -7.812
  388    HA   ILE  53           HA       ILE  53  -3.274   1.220  -5.647
  389    HB   ILE  53           HB       ILE  53  -2.970   4.172  -5.744
  390   1HG1  ILE  53          1HG1      ILE  53  -0.952   2.733  -4.923
  391   2HG1  ILE  53          2HG1      ILE  53  -1.725   3.613  -3.676
  392   1HG2  ILE  53          1HG2      ILE  53  -4.586   2.300  -3.941
  393   2HG2  ILE  53          2HG2      ILE  53  -4.317   4.057  -3.664
  394   3HG2  ILE  53          3HG2      ILE  53  -5.193   3.446  -5.091
  395   1HD1  ILE  53          1HD1      ILE  53  -2.303   0.778  -4.079
  396   2HD1  ILE  53          2HD1      ILE  53  -1.020   1.496  -3.121
  397   3HD1  ILE  53          3HD1      ILE  53  -2.755   1.883  -2.751
  398    H    TYR  54           H        TYR  54  -3.623   3.261  -8.628
  399    HA   TYR  54           HA       TYR  54  -5.782   1.501  -9.357
  400   1HB   TYR  54          1HB       TYR  54  -6.788   4.174  -9.671
  401   2HB   TYR  54          2HB       TYR  54  -7.533   2.644  -9.200
  402    HD1  TYR  54           HD1      TYR  54  -5.658   5.660  -7.875
  403    HD2  TYR  54           HD2      TYR  54  -7.671   2.059  -6.724
  404    HE1  TYR  54           HE1      TYR  54  -5.772   6.386  -5.512
  405    HE2  TYR  54           HE2      TYR  54  -8.232   2.999  -4.570
  406    HH   TYR  54           HH       TYR  54  -6.820   6.110  -3.466
  407    H    TYR  55           H        TYR  55  -3.310   3.674 -10.481
  408    HA   TYR  55           HA       TYR  55  -4.492   3.898 -13.170
  409   1HB   TYR  55          1HB       TYR  55  -1.962   5.025 -11.964
  410   2HB   TYR  55          2HB       TYR  55  -2.399   5.176 -13.653
  411    HD1  TYR  55           HD1      TYR  55  -4.608   6.305 -14.271
  412    HD2  TYR  55           HD2      TYR  55  -2.845   6.602 -10.352
  413    HE1  TYR  55           HE1      TYR  55  -5.970   8.340 -13.810
  414    HE2  TYR  55           HE2      TYR  55  -4.166   8.601  -9.877
  415    HH   TYR  55           HH       TYR  55  -5.797  10.031 -10.662
  416    HA   PRO  56           HA       PRO  56  -1.284   0.445 -13.969
  417   1HB   PRO  56          1HB       PRO  56  -1.854  -1.753 -12.209
  418   2HB   PRO  56          2HB       PRO  56  -0.420  -0.702 -12.162
  419   1HG   PRO  56          1HG       PRO  56  -2.527  -0.761 -10.183
  420   2HG   PRO  56          2HG       PRO  56  -1.203   0.407 -10.394
  421   1HD   PRO  56          2HD       PRO  56  -3.986   0.598 -11.328
  422   2HD   PRO  56          1HD       PRO  56  -2.874   1.723 -10.510
  423    H    LYS  57           H        LYS  57  -2.177  -2.126 -14.289
  424    HA   LYS  57           HA       LYS  57  -4.229  -3.571 -14.099
  425   1HB   LYS  57          1HB       LYS  57  -5.651  -1.673 -13.787
  426   2HB   LYS  57          2HB       LYS  57  -5.478  -1.307 -15.516
  427   1HG   LYS  57          1HG       LYS  57  -6.654  -3.235 -16.203
  428   2HG   LYS  57          2HG       LYS  57  -6.447  -4.041 -14.630
  429   1HD   LYS  57          1HD       LYS  57  -8.706  -3.108 -15.065
  430   2HD   LYS  57          2HD       LYS  57  -7.914  -2.608 -13.561
  431   1HE   LYS  57          1HE       LYS  57  -9.102  -0.691 -14.707
  432   2HE   LYS  57          2HE       LYS  57  -7.396  -0.444 -14.358
  433   1HZ   LYS  57          1HZ       LYS  57  -6.907  -1.028 -16.724
  434   2HZ   LYS  57          2HZ       LYS  57  -8.470  -1.105 -17.050
  435   3HZ   LYS  57          3HZ       LYS  57  -7.770   0.315 -16.562
  436    H    GLU  58           H        GLU  58  -2.755  -1.630 -16.316
  437    HA   GLU  58           HA       GLU  58  -3.788  -2.975 -18.541
  438   1HB   GLU  58          1HB       GLU  58  -3.623  -0.537 -17.823
  439   2HB   GLU  58          2HB       GLU  58  -2.210  -0.740 -18.937
  440   1HG   GLU  58          1HG       GLU  58  -3.792  -0.208 -20.471
  441   2HG   GLU  58          2HG       GLU  58  -4.026  -1.962 -20.407
  442    H    GLY  59           H        GLY  59  -1.334  -3.347 -17.289
  443   1HA   GLY  59          2HA       GLY  59   0.892  -4.069 -18.865
  444   2HA   GLY  59          1HA       GLY  59  -0.404  -5.304 -19.021
  445    H    ASP  60           H        ASP  60  -1.367  -4.314 -16.127
  446    HA   ASP  60           HA       ASP  60   0.480  -5.652 -14.325
  447   1HB   ASP  60          1HB       ASP  60   0.736  -2.890 -14.862
  448   2HB   ASP  60          2HB       ASP  60  -0.493  -2.907 -13.648
  449    H    ASP  61           H        ASP  61  -0.514  -5.057 -12.209
  450    HA   ASP  61           HA       ASP  61  -3.242  -6.053 -12.399
  451   1HB   ASP  61          1HB       ASP  61  -2.074  -7.970 -12.156
  452   2HB   ASP  61          2HB       ASP  61  -1.282  -7.225 -10.792
  453    H    ASP  62           H        ASP  62  -4.375  -4.201 -11.567
  454    HA   ASP  62           HA       ASP  62  -3.229  -2.602  -9.274
  455   1HB   ASP  62          2HB       ASP  62  -4.946  -1.010 -10.127
  456   2HB   ASP  62          1HB       ASP  62  -4.151  -1.641 -11.575
  457    H    SER  63           H        SER  63  -5.162  -5.440  -9.633
  458    HA   SER  63           HA       SER  63  -7.589  -4.787  -8.303
  459   1HB   SER  63          1HB       SER  63  -5.971  -7.266  -7.640
  460   2HB   SER  63          2HB       SER  63  -7.715  -7.088  -7.614
  461    HG   SER  63           HG       SER  63  -5.969  -7.290  -9.850
  462    HA   PRO  64           HA       PRO  64  -6.472  -3.294  -4.293
  463   1HB   PRO  64          2HB       PRO  64  -7.989  -5.607  -3.077
  464   2HB   PRO  64          1HB       PRO  64  -7.898  -3.909  -2.576
  465   1HG   PRO  64          1HG       PRO  64  -9.989  -4.691  -4.094
  466   2HG   PRO  64          2HG       PRO  64  -9.101  -3.215  -4.626
  467   1HD   PRO  64          2HD       PRO  64  -8.664  -6.078  -5.456
  468   2HD   PRO  64          1HD       PRO  64  -8.884  -4.698  -6.568
  469    H    SER  65           H        SER  65  -5.713  -6.387  -4.960
  470    HA   SER  65           HA       SER  65  -3.598  -6.861  -3.032
  471   1HB   SER  65          1HB       SER  65  -4.167  -9.200  -3.900
  472   2HB   SER  65          2HB       SER  65  -5.477  -8.396  -2.952
  473    HG   SER  65           HG       SER  65  -5.838  -9.473  -5.232
  474    H    GLY  66           H        GLY  66  -4.101  -6.899  -6.432
  475   1HA   GLY  66          2HA       GLY  66  -2.922  -6.876  -8.159
  476   2HA   GLY  66          1HA       GLY  66  -1.718  -7.864  -7.418
  477    H    ILE  67           H        ILE  67  -3.138  -4.575  -6.613
  478    HA   ILE  67           HA       ILE  67  -0.850  -3.319  -7.442
  479    HB   ILE  67           HB       ILE  67  -1.517  -1.533  -5.630
  480   1HG1  ILE  67          1HG1      ILE  67  -3.644  -3.482  -5.138
  481   2HG1  ILE  67          2HG1      ILE  67  -2.727  -2.376  -4.282
  482   1HG2  ILE  67          1HG2      ILE  67  -2.024  -1.399  -8.131
  483   2HG2  ILE  67          2HG2      ILE  67  -3.697  -1.879  -7.594
  484   3HG2  ILE  67          3HG2      ILE  67  -3.028  -0.419  -7.041
  485   1HD1  ILE  67          1HD1      ILE  67  -4.143  -0.481  -4.853
  486   2HD1  ILE  67          2HD1      ILE  67  -5.079  -1.479  -5.998
  487   3HD1  ILE  67          3HD1      ILE  67  -5.182  -1.767  -4.295
  488    H    VAL  68           H        VAL  68  -1.639  -4.524  -4.361
  489    HA   VAL  68           HA       VAL  68   0.745  -3.503  -2.927
  490    HB   VAL  68           HB       VAL  68  -0.929  -5.973  -2.329
  491   1HG1  VAL  68          1HG1      VAL  68   1.069  -5.026  -0.886
  492   2HG1  VAL  68          2HG1      VAL  68  -0.083  -3.759  -0.429
  493   3HG1  VAL  68          3HG1      VAL  68  -0.431  -5.457  -0.050
  494   1HG2  VAL  68          1HG2      VAL  68  -1.825  -3.142  -2.248
  495   2HG2  VAL  68          2HG2      VAL  68  -2.691  -4.580  -2.800
  496   3HG2  VAL  68          3HG2      VAL  68  -2.477  -4.287  -1.077
  497    H    ASN  69           H        ASN  69  -0.281  -6.009  -4.888
  498    HA   ASN  69           HA       ASN  69   2.004  -7.788  -4.878
  499   1HB   ASN  69          1HB       ASN  69  -0.339  -7.688  -6.020
  500   2HB   ASN  69          2HB       ASN  69   0.844  -8.104  -7.210
  501   2HD2  ASN  69          2HD2      ASN  69  -1.059  -9.938  -6.714
  502   1HD2  ASN  69          1HD2      ASN  69  -0.639 -11.159  -5.513
  503    H    THR  70           H        THR  70   1.258  -4.741  -6.616
  504    HA   THR  70           HA       THR  70   3.144  -5.360  -8.420
  505    HB   THR  70           HB       THR  70   2.090  -2.647  -7.512
  506    HG1  THR  70           HG1      THR  70   1.205  -3.816  -9.927
  507   1HG2  THR  70          1HG2      THR  70   4.084  -2.132  -8.801
  508   2HG2  THR  70          2HG2      THR  70   3.414  -3.031 -10.193
  509   3HG2  THR  70          3HG2      THR  70   2.600  -1.574  -9.580
  510    H    VAL  71           H        VAL  71   3.106  -3.801  -5.344
  511    HA   VAL  71           HA       VAL  71   5.825  -2.910  -5.107
  512    HB   VAL  71           HB       VAL  71   3.591  -3.487  -3.029
  513   1HG1  VAL  71          1HG1      VAL  71   6.422  -2.789  -2.703
  514   2HG1  VAL  71          2HG1      VAL  71   5.172  -2.568  -1.414
  515   3HG1  VAL  71          3HG1      VAL  71   5.574  -4.203  -1.976
  516   1HG2  VAL  71          1HG2      VAL  71   5.139  -1.162  -4.152
  517   2HG2  VAL  71          2HG2      VAL  71   3.416  -1.597  -4.324
  518   3HG2  VAL  71          3HG2      VAL  71   4.027  -1.100  -2.730
  519    H    LYS  72           H        LYS  72   3.957  -5.827  -4.312
  520    HA   LYS  72           HA       LYS  72   6.157  -7.063  -3.035
  521   1HB   LYS  72          1HB       LYS  72   3.574  -7.869  -3.917
  522   2HB   LYS  72          2HB       LYS  72   4.647  -9.178  -4.415
  523   1HG   LYS  72          1HG       LYS  72   4.207  -9.585  -2.131
  524   2HG   LYS  72          2HG       LYS  72   5.743  -8.738  -2.079
  525   1HD   LYS  72          1HD       LYS  72   4.760  -7.243  -0.812
  526   2HD   LYS  72          2HD       LYS  72   4.105  -6.543  -2.117
  527   1HE   LYS  72          1HE       LYS  72   2.390  -7.462  -0.174
  528   2HE   LYS  72          2HE       LYS  72   2.019  -6.744  -1.704
  529   1HZ   LYS  72          1HZ       LYS  72   1.997  -9.043  -2.666
  530   2HZ   LYS  72          2HZ       LYS  72   2.232  -9.601  -1.118
  531   3HZ   LYS  72          3HZ       LYS  72   0.869  -8.798  -1.490
  532    H    GLN  73           H        GLN  73   6.143  -6.325  -6.000
  533    HA   GLN  73           HA       GLN  73   7.925  -8.245  -6.949
  534   1HB   GLN  73          1HB       GLN  73   5.952  -6.646  -8.596
  535   2HB   GLN  73          2HB       GLN  73   7.138  -7.799  -9.283
  536   1HG   GLN  73          1HG       GLN  73   6.310  -9.459  -7.543
  537   2HG   GLN  73          2HG       GLN  73   5.131  -8.445  -7.087
  538   2HE2  GLN  73          2HE2      GLN  73   3.265  -8.204  -8.081
  539   1HE2  GLN  73          1HE2      GLN  73   2.744  -9.130  -9.492
  540    H    TRP  74           H        TRP  74   7.300  -4.792  -7.011
  541    HA   TRP  74           HA       TRP  74   9.928  -3.904  -7.733
  542   1HB   TRP  74          1HB       TRP  74   7.883  -2.544  -7.749
  543   2HB   TRP  74          2HB       TRP  74   8.196  -2.442  -6.010
  544    HD1  TRP  74           HD1      TRP  74   9.655  -1.647  -9.397
  545    HE1  TRP  74           HE1      TRP  74  11.744  -0.188  -9.318
  546    HE3  TRP  74           HE3      TRP  74   9.810  -1.020  -4.405
  547    HZ2  TRP  74           HZ2      TRP  74  13.194   1.273  -7.275
  548    HZ3  TRP  74           HZ3      TRP  74  11.257   0.658  -3.483
  549    HH2  TRP  74           HH2      TRP  74  13.006   1.829  -4.857
  550    H    ARG  75           H        ARG  75   8.410  -4.003  -4.462
  551    HA   ARG  75           HA       ARG  75  10.900  -3.997  -3.117
  552   1HB   ARG  75          1HB       ARG  75   7.965  -4.772  -2.343
  553   2HB   ARG  75          2HB       ARG  75   9.102  -5.233  -1.223
  554   1HG   ARG  75          1HG       ARG  75   9.170  -2.283  -1.896
  555   2HG   ARG  75          2HG       ARG  75   7.721  -2.874  -1.191
  556   1HD   ARG  75          1HD       ARG  75   8.308  -3.085   0.840
  557   2HD   ARG  75          2HD       ARG  75   9.939  -3.573   0.520
  558    HE   ARG  75           HE       ARG  75   9.146  -0.794  -0.163
  559   1HH1  ARG  75          1HH1      ARG  75  10.959  -2.749   2.261
  560   2HH1  ARG  75          2HH1      ARG  75  11.756  -1.331   2.872
  561   1HH2  ARG  75          1HH2      ARG  75  10.164   0.950   0.776
  562   2HH2  ARG  75          2HH2      ARG  75  11.560   0.771   1.740
  563    H    ALA  76           H        ALA  76   9.794  -6.399  -4.910
  564    HA   ALA  76           HA       ALA  76  11.431  -8.287  -3.334
  565   1HB   ALA  76          1HB       ALA  76   9.445  -8.959  -5.508
  566   2HB   ALA  76          3HB       ALA  76  10.403 -10.158  -4.630
  567   3HB   ALA  76          2HB       ALA  76   9.208  -9.191  -3.746
  568    H    ALA  77           H        ALA  77  11.251  -6.759  -6.250
  569    HA   ALA  77           HA       ALA  77  13.464  -8.329  -7.454
  570   1HB   ALA  77          1HB       ALA  77  11.489  -7.677  -8.863
  571   2HB   ALA  77          3HB       ALA  77  11.847  -5.963  -8.542
  572   3HB   ALA  77          2HB       ALA  77  12.986  -6.930  -9.492
  573    H    ASN  78           H        ASN  78  12.702  -5.179  -6.354
  574    HA   ASN  78           HA       ASN  78  15.361  -4.100  -6.513
  575   1HB   ASN  78          1HB       ASN  78  12.832  -2.989  -6.426
  576   2HB   ASN  78          2HB       ASN  78  13.087  -3.186  -4.753
  577   2HD2  ASN  78          2HD2      ASN  78  14.714  -1.875  -7.735
  578   1HD2  ASN  78          1HD2      ASN  78  15.557  -0.579  -6.887
  579    H    GLY  79           H        GLY  79  13.613  -6.154  -4.823
  580   1HA   GLY  79          2HA       GLY  79  15.832  -7.088  -3.234
  581   2HA   GLY  79          1HA       GLY  79  14.182  -7.736  -3.134
  582    H    LYS  80           H        LYS  80  13.158  -4.970  -2.633
  583    HA   LYS  80           HA       LYS  80  14.343  -3.415  -0.877
  584   1HB   LYS  80          1HB       LYS  80  11.548  -3.890  -0.541
  585   2HB   LYS  80          2HB       LYS  80  12.455  -2.467   0.071
  586   1HG   LYS  80          1HG       LYS  80  12.593  -3.283  -2.767
  587   2HG   LYS  80          2HG       LYS  80  11.250  -2.384  -2.199
  588   1HD   LYS  80          1HD       LYS  80  13.829  -1.709  -2.150
  589   2HD   LYS  80          2HD       LYS  80  12.831  -1.384  -3.447
  590   1HE   LYS  80          1HE       LYS  80  11.315  -0.121  -1.947
  591   2HE   LYS  80          2HE       LYS  80  12.278  -0.430  -0.689
  592   1HZ   LYS  80          1HZ       LYS  80  13.707   0.920  -2.802
  593   2HZ   LYS  80          2HZ       LYS  80  12.520   1.816  -2.103
  594   3HZ   LYS  80          3HZ       LYS  80  13.763   1.278  -1.194
  595    H    SER  81           H        SER  81  12.190  -5.745   0.192
  596    HA   SER  81           HA       SER  81  11.898  -7.326   1.803
  597   1HB   SER  81          1HB       SER  81  14.166  -6.442   2.991
  598   2HB   SER  81          2HB       SER  81  13.309  -7.934   3.353
  599    HG   SER  81           HG       SER  81  14.754  -7.342   0.942
  600    H    GLY  82           H        GLY  82  12.024  -6.763   4.204
  601   1HA   GLY  82          2HA       GLY  82  11.664  -3.934   4.766
  602   2HA   GLY  82          1HA       GLY  82  11.823  -5.245   5.979
  603    H    PHE  83           H        PHE  83   9.434  -6.595   4.911
  604    HA   PHE  83           HA       PHE  83   7.499  -4.935   6.400
  605   1HB   PHE  83          1HB       PHE  83   7.135  -7.713   5.141
  606   2HB   PHE  83          2HB       PHE  83   6.034  -6.844   6.030
  607    HD1  PHE  83           HD1      PHE  83   4.849  -4.726   5.508
  608    HD2  PHE  83           HD2      PHE  83   6.969  -7.358   2.856
  609    HE1  PHE  83           HE1      PHE  83   3.899  -3.637   3.718
  610    HE2  PHE  83           HE2      PHE  83   6.084  -6.229   0.948
  611    HZ   PHE  83           HZ       PHE  83   4.435  -4.329   1.203
  612    H    LYS  84           H        LYS  84   6.462  -7.192   7.444
  613    HA   LYS  84           HA       LYS  84   7.770  -8.226   9.702
  614   1HB   LYS  84          1HB       LYS  84   6.732  -5.988   9.682
  615   2HB   LYS  84          2HB       LYS  84   5.301  -6.978   9.503
  616   1HG   LYS  84          1HG       LYS  84   5.414  -7.868  11.648
  617   2HG   LYS  84          2HG       LYS  84   7.178  -7.664  11.770
  618   1HD   LYS  84          1HD       LYS  84   7.039  -5.377  12.163
  619   2HD   LYS  84          2HD       LYS  84   5.388  -5.282  11.498
  620   1HE   LYS  84          1HE       LYS  84   4.574  -6.658  13.403
  621   2HE   LYS  84          2HE       LYS  84   6.164  -6.547  14.149
  622   1HZ   LYS  84          1HZ       LYS  84   4.438  -4.214  13.465
  623   2HZ   LYS  84          2HZ       LYS  84   4.555  -4.869  14.967
  624   3HZ   LYS  84          3HZ       LYS  84   5.802  -4.066  14.257
  625    H    GLN  85           H        GLN  85   6.079  -9.517  10.590
  626    HA   GLN  85           HA       GLN  85   4.873 -11.492   8.732
  627   1HB   GLN  85          1HB       GLN  85   7.002 -12.100   9.923
  628   2HB   GLN  85          2HB       GLN  85   5.602 -13.023  10.584
  629   1HG   GLN  85          1HG       GLN  85   5.020 -13.623   8.270
  630   2HG   GLN  85          2HG       GLN  85   6.534 -12.865   7.731
  631   2HE2  GLN  85          2HE2      GLN  85   5.196 -15.851   8.316
  632   1HE2  GLN  85          1HE2      GLN  85   6.672 -16.687   8.804
  633    H    GLY  86           H        GLY  86   5.318 -10.707  12.092
  634   1HA   GLY  86          2HA       GLY  86   3.109 -11.114  13.519
  635   2HA   GLY  86          1HA       GLY  86   2.669  -9.761  12.433

  No H/Q in entry =         635
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -5.303   0.986   9.023
    2    H2   MET   1           H2       MET   1  -6.539   0.324   9.849
    3    H3   MET   1           H3       MET   1  -6.865   1.458   8.695
    4    HA   MET   1           HA       MET   1  -5.665   3.125   9.908
    5   1HB   MET   1          1HB       MET   1  -8.004   1.858  11.332
    6   2HB   MET   1          2HB       MET   1  -7.180   3.315  11.936
    7   1HG   MET   1          1HG       MET   1  -8.877   4.144  10.552
    8   2HG   MET   1          2HG       MET   1  -7.384   4.318   9.627
    9   1HE   MET   1          1HE       MET   1 -10.707   4.089   8.990
   10   2HE   MET   1          2HE       MET   1  -9.539   4.750   7.825
   11   3HE   MET   1          3HE       MET   1 -10.627   3.412   7.349
   12    H    GLU   2           H        GLU   2  -5.425  -0.095  11.381
   13    HA   GLU   2           HA       GLU   2  -2.951   0.656  12.629
   14   1HB   GLU   2          2HB       GLU   2  -2.164  -1.510  11.901
   15   2HB   GLU   2          1HB       GLU   2  -3.651  -1.643  12.827
   16   1HG   GLU   2          1HG       GLU   2  -3.575  -1.721   9.773
   17   2HG   GLU   2          2HG       GLU   2  -3.399  -3.136  10.795
   18    H    LEU   3           H        LEU   3  -1.044   1.017  11.552
   19    HA   LEU   3           HA       LEU   3  -0.471   1.881   9.089
   20   1HB   LEU   3          1HB       LEU   3  -1.653   3.700  11.252
   21   2HB   LEU   3          2HB       LEU   3  -0.278   4.278  10.327
   22    HG   LEU   3           HG       LEU   3  -2.932   3.417   9.075
   23   1HD1  LEU   3          1HD1      LEU   3  -2.928   5.632  10.354
   24   2HD1  LEU   3          2HD1      LEU   3  -1.507   6.142   9.409
   25   3HD1  LEU   3          3HD1      LEU   3  -3.063   5.902   8.601
   26   1HD2  LEU   3          1HD2      LEU   3  -0.389   4.601   8.040
   27   2HD2  LEU   3          2HD2      LEU   3  -1.129   3.048   7.490
   28   3HD2  LEU   3          3HD2      LEU   3  -1.822   4.606   7.068
   29    H    LYS   4           H        LYS   4   1.677   3.213   9.651
   30    HA   LYS   4           HA       LYS   4   2.873   1.993  11.953
   31   1HB   LYS   4          1HB       LYS   4   2.736   0.461   9.665
   32   2HB   LYS   4          2HB       LYS   4   4.368   1.065   9.799
   33   1HG   LYS   4          1HG       LYS   4   4.532  -0.754  11.036
   34   2HG   LYS   4          2HG       LYS   4   4.199   0.407  12.322
   35   1HD   LYS   4          1HD       LYS   4   1.654  -0.584  11.584
   36   2HD   LYS   4          2HD       LYS   4   2.711  -1.936  11.372
   37   1HE   LYS   4          1HE       LYS   4   3.532  -1.308  13.814
   38   2HE   LYS   4          2HE       LYS   4   1.856  -0.699  13.884
   39   1HZ   LYS   4          1HZ       LYS   4   1.236  -2.924  12.882
   40   2HZ   LYS   4          2HZ       LYS   4   2.736  -3.406  13.061
   41   3HZ   LYS   4          3HZ       LYS   4   1.835  -3.058  14.422
   42    H    HIS   5           H        HIS   5   5.321   2.079  11.451
   43    HA   HIS   5           HA       HIS   5   5.996   4.885  10.908
   44   1HB   HIS   5          2HB       HIS   5   8.141   3.198  12.031
   45   2HB   HIS   5          1HB       HIS   5   7.594   4.777  12.497
   46    HD1  HIS   5           HD1      HIS   5   5.197   4.602  14.171
   47    HD2  HIS   5           HD2      HIS   5   7.442   1.186  13.271
   48    HE1  HIS   5           HE1      HIS   5   4.283   2.747  15.693
   49    H    SER   6           H        SER   6   6.474   1.740  10.121
   50    HA   SER   6           HA       SER   6   8.117   2.248   7.827
   51   1HB   SER   6          1HB       SER   6   8.727  -0.194   8.886
   52   2HB   SER   6          2HB       SER   6   9.608   1.330   8.977
   53    HG   SER   6           HG       SER   6   9.269   0.244  11.094
   54    H    ILE   7           H        ILE   7   7.875   0.920   6.262
   55    HA   ILE   7           HA       ILE   7   5.749  -0.749   5.817
   56    HB   ILE   7           HB       ILE   7   7.816   0.323   4.468
   57   1HG1  ILE   7          1HG1      ILE   7   5.579  -1.019   3.876
   58   2HG1  ILE   7          2HG1      ILE   7   6.620  -0.127   2.833
   59   1HG2  ILE   7          1HG2      ILE   7   9.551  -1.168   5.359
   60   2HG2  ILE   7          2HG2      ILE   7   8.782  -2.533   4.526
   61   3HG2  ILE   7          3HG2      ILE   7   9.414  -1.148   3.601
   62   1HD1  ILE   7          1HD1      ILE   7   7.797  -2.156   2.207
   63   2HD1  ILE   7          2HD1      ILE   7   6.761  -3.091   3.326
   64   3HD1  ILE   7          3HD1      ILE   7   6.036  -2.261   1.913
   65    H    SER   8           H        SER   8   7.988  -1.356   8.174
   66    HA   SER   8           HA       SER   8   8.099  -4.197   7.893
   67   1HB   SER   8          1HB       SER   8  10.216  -3.813   8.033
   68   2HB   SER   8          2HB       SER   8   9.768  -2.423   7.171
   69    HG   SER   8           HG       SER   8  10.487  -2.521   9.896
   70    H    ASP   9           H        ASP   9   6.979  -1.525   9.705
   71    HA   ASP   9           HA       ASP   9   7.251  -3.275  12.095
   72   1HB   ASP   9          1HB       ASP   9   6.670  -0.398  12.110
   73   2HB   ASP   9          2HB       ASP   9   5.461  -1.292  12.974
   74    H    TYR  10           H        TYR  10   5.638  -3.072   9.293
   75    HA   TYR  10           HA       TYR  10   3.214  -4.225  10.475
   76   1HB   TYR  10          2HB       TYR  10   1.806  -2.887   9.376
   77   2HB   TYR  10          1HB       TYR  10   3.169  -1.820   9.387
   78    HD1  TYR  10           HD1      TYR  10   4.659  -3.306   7.037
   79    HD2  TYR  10           HD2      TYR  10   0.839  -1.417   7.688
   80    HE1  TYR  10           HE1      TYR  10   4.650  -2.611   4.770
   81    HE2  TYR  10           HE2      TYR  10   0.938  -0.479   5.421
   82    HH   TYR  10           HH       TYR  10   2.290  -0.536   3.278
   83    H    THR  11           H        THR  11   2.341  -6.043   9.352
   84    HA   THR  11           HA       THR  11   4.418  -7.482   7.828
   85    HB   THR  11           HB       THR  11   3.610  -9.283   8.547
   86    HG1  THR  11           HG1      THR  11   1.323  -9.830   8.617
   87   1HG2  THR  11          1HG2      THR  11   3.297  -8.058  10.707
   88   2HG2  THR  11          2HG2      THR  11   1.590  -7.824  10.281
   89   3HG2  THR  11          3HG2      THR  11   2.216  -9.435  10.547
   90    H    GLU  12           H        GLU  12   3.267  -8.936   5.888
   91    HA   GLU  12           HA       GLU  12   2.605  -7.018   3.869
   92   1HB   GLU  12          1HB       GLU  12   3.498  -9.348   3.375
   93   2HB   GLU  12          2HB       GLU  12   1.917  -9.985   3.857
   94   1HG   GLU  12          1HG       GLU  12   0.846  -8.408   2.132
   95   2HG   GLU  12          2HG       GLU  12   2.404  -7.918   1.660
   96    H    ALA  13           H        ALA  13   0.741  -8.653   6.188
   97    HA   ALA  13           HA       ALA  13  -1.783  -8.713   4.608
   98   1HB   ALA  13          1HB       ALA  13  -1.369 -10.568   6.208
   99   2HB   ALA  13          3HB       ALA  13  -1.287  -9.397   7.550
  100   3HB   ALA  13          2HB       ALA  13  -2.806  -9.628   6.665
  101    H    GLU  14           H        GLU  14  -0.208  -7.073   7.220
  102    HA   GLU  14           HA       GLU  14  -2.073  -5.117   7.960
  103   1HB   GLU  14          1HB       GLU  14   0.739  -5.938   8.293
  104   2HB   GLU  14          2HB       GLU  14   0.666  -4.202   8.167
  105   1HG   GLU  14          1HG       GLU  14  -1.244  -4.432   9.901
  106   2HG   GLU  14          2HG       GLU  14  -0.713  -6.151  10.010
  107    H    PHE  15           H        PHE  15   0.356  -5.157   5.329
  108    HA   PHE  15           HA       PHE  15  -0.273  -2.386   4.622
  109   1HB   PHE  15          1HB       PHE  15   1.858  -3.615   4.018
  110   2HB   PHE  15          2HB       PHE  15   0.971  -4.524   2.816
  111    HD1  PHE  15           HD1      PHE  15  -0.273  -1.051   3.028
  112    HD2  PHE  15           HD2      PHE  15   2.873  -3.520   1.351
  113    HE1  PHE  15           HE1      PHE  15   0.570   0.852   1.799
  114    HE2  PHE  15           HE2      PHE  15   3.687  -1.534   0.081
  115    HZ   PHE  15           HZ       PHE  15   2.606   0.648   0.388
  116    H    LEU  16           H        LEU  16  -1.149  -5.717   3.769
  117    HA   LEU  16           HA       LEU  16  -2.277  -4.871   1.261
  118   1HB   LEU  16          1HB       LEU  16  -1.415  -7.087   1.826
  119   2HB   LEU  16          2HB       LEU  16  -2.790  -7.362   2.899
  120    HG   LEU  16           HG       LEU  16  -4.305  -7.621   1.206
  121   1HD1  LEU  16          1HD1      LEU  16  -3.788  -5.563  -0.175
  122   2HD1  LEU  16          2HD1      LEU  16  -2.488  -6.488  -0.948
  123   3HD1  LEU  16          3HD1      LEU  16  -4.216  -6.979  -1.044
  124   1HD2  LEU  16          1HD2      LEU  16  -2.519  -9.450   1.026
  125   2HD2  LEU  16          2HD2      LEU  16  -3.227  -9.139  -0.563
  126   3HD2  LEU  16          3HD2      LEU  16  -1.621  -8.483  -0.149
  127    H    GLN  17           H        GLN  17  -3.603  -5.296   4.465
  128    HA   GLN  17           HA       GLN  17  -6.161  -5.100   3.762
  129   1HB   GLN  17          2HB       GLN  17  -6.810  -4.915   6.053
  130   2HB   GLN  17          1HB       GLN  17  -5.525  -6.170   5.871
  131   1HG   GLN  17          1HG       GLN  17  -3.920  -4.468   6.392
  132   2HG   GLN  17          2HG       GLN  17  -5.267  -3.330   6.709
  133   2HE2  GLN  17          2HE2      GLN  17  -6.644  -3.645   8.566
  134   1HE2  GLN  17          1HE2      GLN  17  -6.027  -4.478   9.942
  135    H    LEU  18           H        LEU  18  -3.571  -2.887   4.468
  136    HA   LEU  18           HA       LEU  18  -5.229  -0.758   5.086
  137   1HB   LEU  18          1HB       LEU  18  -2.990  -0.969   5.810
  138   2HB   LEU  18          2HB       LEU  18  -2.390  -0.661   4.171
  139    HG   LEU  18           HG       LEU  18  -2.785   1.222   5.902
  140   1HD1  LEU  18          1HD1      LEU  18  -2.128   1.464   3.431
  141   2HD1  LEU  18          2HD1      LEU  18  -3.824   1.907   3.188
  142   3HD1  LEU  18          3HD1      LEU  18  -2.771   2.892   4.205
  143   1HD2  LEU  18          1HD2      LEU  18  -4.979   0.636   6.575
  144   2HD2  LEU  18          2HD2      LEU  18  -4.635   2.306   6.378
  145   3HD2  LEU  18          3HD2      LEU  18  -5.546   1.453   5.097
  146    H    VAL  19           H        VAL  19  -3.731  -1.971   2.220
  147    HA   VAL  19           HA       VAL  19  -4.189   0.071   0.082
  148    HB   VAL  19           HB       VAL  19  -3.782  -2.888   0.108
  149   1HG1  VAL  19          1HG1      VAL  19  -4.189  -0.839  -2.115
  150   2HG1  VAL  19          2HG1      VAL  19  -3.554  -2.474  -2.326
  151   3HG1  VAL  19          3HG1      VAL  19  -5.200  -2.268  -1.796
  152   1HG2  VAL  19          1HG2      VAL  19  -2.091  -0.671   0.597
  153   2HG2  VAL  19          2HG2      VAL  19  -1.580  -2.244   0.072
  154   3HG2  VAL  19          3HG2      VAL  19  -1.950  -0.963  -1.131
  155    H    THR  20           H        THR  20  -5.903  -2.797   1.610
  156    HA   THR  20           HA       THR  20  -8.185  -2.753  -0.080
  157    HB   THR  20           HB       THR  20  -6.910  -4.481   1.770
  158    HG1  THR  20           HG1      THR  20  -9.236  -4.830   0.225
  159   1HG2  THR  20          1HG2      THR  20  -8.479  -3.876   3.567
  160   2HG2  THR  20          2HG2      THR  20  -9.759  -4.574   2.579
  161   3HG2  THR  20          3HG2      THR  20  -8.351  -5.555   3.099
  162    H    THR  21           H        THR  21  -7.521  -1.143   3.039
  163    HA   THR  21           HA       THR  21 -10.183  -0.211   3.578
  164    HB   THR  21           HB       THR  21  -7.379   0.123   4.415
  165    HG1  THR  21           HG1      THR  21  -9.756   0.008   5.967
  166   1HG2  THR  21          1HG2      THR  21  -9.200   2.522   4.651
  167   2HG2  THR  21          2HG2      THR  21  -7.887   2.198   5.775
  168   3HG2  THR  21          3HG2      THR  21  -7.568   2.417   4.030
  169    H    ILE  22           H        ILE  22  -7.627   0.777   1.333
  170    HA   ILE  22           HA       ILE  22  -8.757   3.395   0.807
  171    HB   ILE  22           HB       ILE  22  -6.657   2.158  -0.981
  172   1HG1  ILE  22          1HG1      ILE  22  -6.247   2.918   1.901
  173   2HG1  ILE  22          2HG1      ILE  22  -5.557   1.617   0.901
  174   1HG2  ILE  22          1HG2      ILE  22  -7.782   4.386  -1.364
  175   2HG2  ILE  22          2HG2      ILE  22  -6.951   4.968   0.108
  176   3HG2  ILE  22          3HG2      ILE  22  -6.031   4.393  -1.314
  177   1HD1  ILE  22          1HD1      ILE  22  -4.202   3.269  -0.311
  178   2HD1  ILE  22          2HD1      ILE  22  -4.828   4.498   0.827
  179   3HD1  ILE  22          3HD1      ILE  22  -3.842   3.155   1.426
  180    H    CYS  23           H        CYS  23  -8.142   0.356  -1.023
  181    HA   CYS  23           HA       CYS  23 -10.045   0.816  -3.075
  182   1HB   CYS  23          2HB       CYS  23  -9.235  -1.914  -1.907
  183   2HB   CYS  23          1HB       CYS  23  -9.976  -1.579  -3.448
  184    HG   CYS  23           HG       CYS  23  -8.003  -0.107  -4.423
  185    H    ASN  24           H        ASN  24 -10.486   0.504   0.326
  186    HA   ASN  24           HA       ASN  24 -13.434  -0.021  -0.319
  187   1HB   ASN  24          1HB       ASN  24 -12.527  -1.667   1.180
  188   2HB   ASN  24          2HB       ASN  24 -12.164  -0.434   2.376
  189   2HD2  ASN  24          2HD2      ASN  24 -13.866  -0.541   4.114
  190   1HD2  ASN  24          1HD2      ASN  24 -15.499  -0.820   3.628
  191    H    ALA  25           H        ALA  25 -11.426   2.570   0.852
  192    HA   ALA  25           HA       ALA  25 -11.857   4.704   1.628
  193   1HB   ALA  25          1HB       ALA  25 -14.481   4.292   0.037
  194   2HB   ALA  25          3HB       ALA  25 -13.906   5.843   0.634
  195   3HB   ALA  25          2HB       ALA  25 -12.976   4.976  -0.610
  196    H    ASP  26           H        ASP  26 -12.334   2.512   2.998
  197    HA   ASP  26           HA       ASP  26 -14.232   2.026   4.883
  198   1HB   ASP  26          1HB       ASP  26 -12.344   0.950   3.954
  199   2HB   ASP  26          2HB       ASP  26 -11.256   1.909   4.909
  200    H    THR  27           H        THR  27 -12.917   4.749   4.535
  201    HA   THR  27           HA       THR  27 -11.915   5.545   7.221
  202    HB   THR  27           HB       THR  27 -10.237   6.672   6.209
  203    HG1  THR  27           HG1      THR  27 -11.791   6.677   3.825
  204   1HG2  THR  27          1HG2      THR  27  -9.838   4.379   5.555
  205   2HG2  THR  27          2HG2      THR  27 -10.714   4.613   4.027
  206   3HG2  THR  27          3HG2      THR  27  -9.236   5.523   4.359
  207    H    SER  28           H        SER  28 -11.636   8.022   7.349
  208    HA   SER  28           HA       SER  28 -13.919   9.461   7.712
  209   1HB   SER  28          1HB       SER  28 -12.534  11.425   7.394
  210   2HB   SER  28          2HB       SER  28 -11.702  10.116   8.337
  211    HG   SER  28           HG       SER  28 -10.320  11.078   6.896
  212    H    SER  29           H        SER  29 -12.566   8.669   4.779
  213    HA   SER  29           HA       SER  29 -14.199   7.976   3.133
  214   1HB   SER  29          1HB       SER  29 -15.609  10.200   3.623
  215   2HB   SER  29          2HB       SER  29 -16.103   8.946   2.513
  216    HG   SER  29           HG       SER  29 -15.588   7.883   4.972
  217    H    GLU  30           H        GLU  30 -12.314  10.479   3.168
  218    HA   GLU  30           HA       GLU  30 -11.777   9.846   0.550
  219   1HB   GLU  30          1HB       GLU  30 -13.567  11.720   0.211
  220   2HB   GLU  30          2HB       GLU  30 -12.435  12.829   0.961
  221   1HG   GLU  30          1HG       GLU  30 -10.918  12.580  -1.012
  222   2HG   GLU  30          2HG       GLU  30 -12.069  11.448  -1.732
  223    H    GLU  31           H        GLU  31 -10.973  11.057   3.341
  224    HA   GLU  31           HA       GLU  31  -8.726  12.589   2.768
  225   1HB   GLU  31          1HB       GLU  31 -11.004  12.736   3.983
  226   2HB   GLU  31          2HB       GLU  31 -10.028  11.986   4.990
  227   1HG   GLU  31          1HG       GLU  31  -9.092  14.661   4.175
  228   2HG   GLU  31          2HG       GLU  31 -10.340  14.485   5.431
  229    H    GLU  32           H        GLU  32  -9.533  10.388   5.132
  230    HA   GLU  32           HA       GLU  32  -6.977   9.370   6.003
  231   1HB   GLU  32          1HB       GLU  32  -9.649   8.527   5.953
  232   2HB   GLU  32          2HB       GLU  32  -8.357   7.268   6.054
  233   1HG   GLU  32          1HG       GLU  32  -7.439   8.510   7.956
  234   2HG   GLU  32          2HG       GLU  32  -8.953   9.485   7.972
  235    H    LEU  33           H        LEU  33  -9.175   8.856   3.265
  236    HA   LEU  33           HA       LEU  33  -7.941   6.606   2.191
  237   1HB   LEU  33          1HB       LEU  33  -9.662   8.853   1.178
  238   2HB   LEU  33          2HB       LEU  33  -8.920   7.877  -0.056
  239    HG   LEU  33           HG       LEU  33  -9.950   6.343   2.298
  240   1HD1  LEU  33          1HD1      LEU  33 -11.532   8.195   2.123
  241   2HD1  LEU  33          2HD1      LEU  33 -11.992   7.677   0.473
  242   3HD1  LEU  33          3HD1      LEU  33 -12.305   6.673   1.903
  243   1HD2  LEU  33          1HD2      LEU  33  -9.054   5.716  -0.186
  244   2HD2  LEU  33          2HD2      LEU  33 -10.336   4.753   0.439
  245   3HD2  LEU  33          3HD2      LEU  33 -10.694   6.062  -0.696
  246    H    VAL  34           H        VAL  34  -7.479   9.990   1.093
  247    HA   VAL  34           HA       VAL  34  -5.154   9.581  -0.502
  248    HB   VAL  34           HB       VAL  34  -6.528  11.738   0.827
  249   1HG1  VAL  34          1HG1      VAL  34  -3.944  12.174  -0.730
  250   2HG1  VAL  34          2HG1      VAL  34  -5.083  13.471  -0.299
  251   3HG1  VAL  34          3HG1      VAL  34  -4.229  12.593   0.973
  252   1HG2  VAL  34          1HG2      VAL  34  -7.451  10.821  -1.238
  253   2HG2  VAL  34          2HG2      VAL  34  -6.968  12.506  -1.465
  254   3HG2  VAL  34          3HG2      VAL  34  -5.929  11.197  -2.088
  255    H    LYS  35           H        LYS  35  -5.577   9.730   2.941
  256    HA   LYS  35           HA       LYS  35  -2.768  10.376   3.531
  257   1HB   LYS  35          1HB       LYS  35  -4.590  11.188   4.713
  258   2HB   LYS  35          2HB       LYS  35  -5.077   9.527   5.225
  259   1HG   LYS  35          1HG       LYS  35  -2.971   9.185   6.246
  260   2HG   LYS  35          2HG       LYS  35  -2.375  10.765   5.637
  261   1HD   LYS  35          1HD       LYS  35  -4.520  10.150   7.617
  262   2HD   LYS  35          2HD       LYS  35  -2.937  10.981   7.861
  263   1HE   LYS  35          2HE       LYS  35  -4.536  12.711   8.093
  264   2HE   LYS  35          1HE       LYS  35  -3.875  12.887   6.461
  265   1HZ   LYS  35          1HZ       LYS  35  -5.945  11.812   5.637
  266   2HZ   LYS  35          2HZ       LYS  35  -6.568  11.810   7.167
  267   3HZ   LYS  35          3HZ       LYS  35  -6.240  13.176   6.438
  268    H    LEU  36           H        LEU  36  -4.927   7.394   3.403
  269    HA   LEU  36           HA       LEU  36  -2.845   5.645   4.133
  270   1HB   LEU  36          1HB       LEU  36  -5.731   5.565   3.068
  271   2HB   LEU  36          2HB       LEU  36  -4.870   4.077   3.357
  272    HG   LEU  36           HG       LEU  36  -5.380   6.168   5.382
  273   1HD1  LEU  36          1HD1      LEU  36  -7.221   4.700   4.657
  274   2HD1  LEU  36          2HD1      LEU  36  -6.251   3.432   5.448
  275   3HD1  LEU  36          3HD1      LEU  36  -6.869   4.789   6.411
  276   1HD2  LEU  36          1HD2      LEU  36  -3.566   3.988   5.793
  277   2HD2  LEU  36          2HD2      LEU  36  -3.531   5.691   6.272
  278   3HD2  LEU  36          3HD2      LEU  36  -4.623   4.591   7.107
  279    H    VAL  37           H        VAL  37  -4.079   7.231   1.037
  280    HA   VAL  37           HA       VAL  37  -2.666   5.527  -0.518
  281    HB   VAL  37           HB       VAL  37  -3.057   6.843  -2.122
  282   1HG1  VAL  37          1HG1      VAL  37  -5.192   6.308  -0.849
  283   2HG1  VAL  37          2HG1      VAL  37  -5.529   7.927  -1.480
  284   3HG1  VAL  37          3HG1      VAL  37  -5.005   6.652  -2.554
  285   1HG2  VAL  37          1HG2      VAL  37  -1.828   8.781  -1.913
  286   2HG2  VAL  37          2HG2      VAL  37  -3.296   8.901  -2.871
  287   3HG2  VAL  37          3HG2      VAL  37  -3.244   9.599  -1.271
  288    H    THR  38           H        THR  38  -1.822   8.563   1.092
  289    HA   THR  38           HA       THR  38   0.788   8.719   0.168
  290    HB   THR  38           HB       THR  38  -0.889  10.207   1.542
  291    HG1  THR  38           HG1      THR  38   0.731  10.576  -0.285
  292   1HG2  THR  38          1HG2      THR  38   0.196   9.815   3.701
  293   2HG2  THR  38          2HG2      THR  38   1.768  10.251   2.989
  294   3HG2  THR  38          3HG2      THR  38   0.494  11.476   3.156
  295    H    HIS  39           H        HIS  39  -0.474   7.351   3.335
  296    HA   HIS  39           HA       HIS  39   2.072   6.426   4.178
  297   1HB   HIS  39          1HB       HIS  39  -0.473   6.301   5.269
  298   2HB   HIS  39          2HB       HIS  39  -0.248   4.704   4.628
  299    HD1  HIS  39           HD1      HIS  39   2.248   7.033   6.620
  300    HD2  HIS  39           HD2      HIS  39   0.954   3.050   6.195
  301    HE1  HIS  39           HE1      HIS  39   3.214   5.788   8.554
  302    H    PHE  40           H        PHE  40   0.029   5.178   1.493
  303    HA   PHE  40           HA       PHE  40   1.697   2.776   1.305
  304   1HB   PHE  40          1HB       PHE  40  -0.525   3.058   0.091
  305   2HB   PHE  40          2HB       PHE  40   0.311   4.084  -1.063
  306    HD1  PHE  40           HD1      PHE  40   2.677   3.023  -2.014
  307    HD2  PHE  40           HD2      PHE  40  -0.673   0.834  -0.440
  308    HE1  PHE  40           HE1      PHE  40   3.408   1.028  -3.231
  309    HE2  PHE  40           HE2      PHE  40   0.077  -1.197  -1.733
  310    HZ   PHE  40           HZ       PHE  40   2.091  -1.092  -3.109
  311    H    GLU  41           H        GLU  41   1.648   5.796  -0.562
  312    HA   GLU  41           HA       GLU  41   3.924   5.771  -2.048
  313   1HB   GLU  41          1HB       GLU  41   3.017   8.050  -0.663
  314   2HB   GLU  41          2HB       GLU  41   4.013   8.030  -2.120
  315   1HG   GLU  41          1HG       GLU  41   2.094   7.177  -3.382
  316   2HG   GLU  41          2HG       GLU  41   1.107   7.235  -1.948
  317    H    GLU  42           H        GLU  42   3.679   6.560   1.249
  318    HA   GLU  42           HA       GLU  42   6.104   7.542   1.908
  319   1HB   GLU  42          1HB       GLU  42   4.522   8.193   3.293
  320   2HB   GLU  42          2HB       GLU  42   3.887   6.607   3.087
  321   1HG   GLU  42          1HG       GLU  42   4.247   5.926   5.033
  322   2HG   GLU  42          2HG       GLU  42   5.930   6.292   4.896
  323    H    MET  43           H        MET  43   4.539   4.558   2.510
  324    HA   MET  43           HA       MET  43   6.164   3.578   4.252
  325   1HB   MET  43          1HB       MET  43   3.939   2.640   2.715
  326   2HB   MET  43          2HB       MET  43   4.976   1.346   2.671
  327   1HG   MET  43          1HG       MET  43   3.195   1.667   4.567
  328   2HG   MET  43          2HG       MET  43   4.674   0.735   4.751
  329   1HE   MET  43          1HE       MET  43   2.647   1.533   6.735
  330   2HE   MET  43          2HE       MET  43   4.037   0.547   7.206
  331   3HE   MET  43          3HE       MET  43   3.605   2.023   8.126
  332    H    THR  44           H        THR  44   6.017   2.651   0.942
  333    HA   THR  44           HA       THR  44   8.039   0.544   1.210
  334    HB   THR  44           HB       THR  44   5.939  -0.141   0.393
  335    HG1  THR  44           HG1      THR  44   7.899   0.166  -1.512
  336   1HG2  THR  44          1HG2      THR  44   5.868   2.453  -1.095
  337   2HG2  THR  44          2HG2      THR  44   5.131   1.055  -1.882
  338   3HG2  THR  44          3HG2      THR  44   4.606   1.523  -0.271
  339    H    GLU  45           H        GLU  45   8.421   3.656   0.684
  340    HA   GLU  45           HA       GLU  45  10.049   4.932  -0.336
  341   1HB   GLU  45          1HB       GLU  45  11.386   2.361  -0.751
  342   2HB   GLU  45          2HB       GLU  45  12.201   3.893  -0.516
  343   1HG   GLU  45          1HG       GLU  45  12.048   3.661   1.791
  344   2HG   GLU  45          2HG       GLU  45  10.623   2.608   1.731
  345    H    HIS  46           H        HIS  46   7.921   3.959  -2.136
  346    HA   HIS  46           HA       HIS  46   9.219   2.543  -4.363
  347   1HB   HIS  46          1HB       HIS  46   7.443   1.413  -3.154
  348   2HB   HIS  46          2HB       HIS  46   6.344   2.768  -3.420
  349    HD1  HIS  46           HD1      HIS  46   5.046   2.814  -5.728
  350    HD2  HIS  46           HD2      HIS  46   7.826  -0.329  -5.321
  351    HE1  HIS  46           HE1      HIS  46   4.729   1.200  -7.698
  352    HA   PRO  47           HA       PRO  47   8.463   5.842  -7.298
  353   1HB   PRO  47          1HB       PRO  47   7.928   4.220  -9.563
  354   2HB   PRO  47          2HB       PRO  47   9.510   4.803  -8.993
  355   1HG   PRO  47          1HG       PRO  47   8.280   2.050  -8.366
  356   2HG   PRO  47          2HG       PRO  47   9.937   2.525  -8.846
  357   1HD   PRO  47          1HD       PRO  47   8.926   1.904  -6.449
  358   2HD   PRO  47          2HD       PRO  47  10.284   3.022  -6.679
  359    H    SER  48           H        SER  48   6.198   3.147  -8.045
  360    HA   SER  48           HA       SER  48   4.472   5.000  -9.244
  361   1HB   SER  48          1HB       SER  48   3.612   2.201  -9.240
  362   2HB   SER  48          2HB       SER  48   3.923   3.306 -10.568
  363    HG   SER  48           HG       SER  48   5.362   1.616 -10.588
  364    H    GLY  49           H        GLY  49   4.354   5.305  -6.575
  365   1HA   GLY  49          2HA       GLY  49   2.799   6.429  -5.249
  366   2HA   GLY  49          1HA       GLY  49   2.442   4.779  -4.731
  367    H    SER  50           H        SER  50   1.471   7.268  -7.220
  368    HA   SER  50           HA       SER  50  -1.321   6.785  -6.728
  369   1HB   SER  50          1HB       SER  50  -1.409   8.310  -8.851
  370   2HB   SER  50          2HB       SER  50  -0.775   8.952  -7.334
  371    HG   SER  50           HG       SER  50   0.830   7.955  -9.502
  372    H    ASP  51           H        ASP  51   0.656   4.525  -8.288
  373    HA   ASP  51           HA       ASP  51  -0.849   4.227 -10.718
  374   1HB   ASP  51          1HB       ASP  51   2.151   4.447 -10.332
  375   2HB   ASP  51          2HB       ASP  51   1.364   3.847 -11.777
  376    H    LEU  52           H        LEU  52   0.375   2.968  -7.549
  377    HA   LEU  52           HA       LEU  52  -0.687   0.527  -8.764
  378   1HB   LEU  52          1HB       LEU  52   0.448  -0.540  -6.694
  379   2HB   LEU  52          2HB       LEU  52   1.301  -0.337  -8.217
  380    HG   LEU  52           HG       LEU  52   2.670   1.367  -7.387
  381   1HD1  LEU  52          1HD1      LEU  52   1.123   1.297  -4.776
  382   2HD1  LEU  52          2HD1      LEU  52   2.649   2.191  -5.085
  383   3HD1  LEU  52          3HD1      LEU  52   1.166   2.647  -5.901
  384   1HD2  LEU  52          1HD2      LEU  52   2.126  -0.785  -5.353
  385   2HD2  LEU  52          2HD2      LEU  52   3.168  -0.903  -6.808
  386   3HD2  LEU  52          3HD2      LEU  52   3.600   0.205  -5.470
  387    H    ILE  53           H        ILE  53  -1.896   3.029  -7.841
  388    HA   ILE  53           HA       ILE  53  -3.297   1.694  -5.765
  389    HB   ILE  53           HB       ILE  53  -2.425   4.524  -5.705
  390   1HG1  ILE  53          1HG1      ILE  53  -0.912   2.612  -4.720
  391   2HG1  ILE  53          2HG1      ILE  53  -1.552   3.687  -3.531
  392   1HG2  ILE  53          1HG2      ILE  53  -4.616   3.040  -4.202
  393   2HG2  ILE  53          2HG2      ILE  53  -3.926   4.634  -3.722
  394   3HG2  ILE  53          3HG2      ILE  53  -4.773   4.409  -5.278
  395   1HD1  ILE  53          1HD1      ILE  53  -2.807   1.105  -4.047
  396   2HD1  ILE  53          2HD1      ILE  53  -1.453   1.437  -2.990
  397   3HD1  ILE  53          3HD1      ILE  53  -3.044   2.283  -2.734
  398    H    TYR  54           H        TYR  54  -3.462   4.239  -8.452
  399    HA   TYR  54           HA       TYR  54  -5.892   2.771  -9.306
  400   1HB   TYR  54          1HB       TYR  54  -6.031   5.721  -9.375
  401   2HB   TYR  54          2HB       TYR  54  -7.303   4.504  -9.352
  402    HD1  TYR  54           HD1      TYR  54  -7.639   3.220  -7.014
  403    HD2  TYR  54           HD2      TYR  54  -5.312   6.820  -7.364
  404    HE1  TYR  54           HE1      TYR  54  -8.267   3.821  -4.704
  405    HE2  TYR  54           HE2      TYR  54  -5.602   7.180  -4.922
  406    HH   TYR  54           HH       TYR  54  -6.982   6.751  -3.099
  407    H    TYR  55           H        TYR  55  -3.102   4.673 -10.443
  408    HA   TYR  55           HA       TYR  55  -4.226   4.610 -13.160
  409   1HB   TYR  55          1HB       TYR  55  -1.452   5.441 -12.376
  410   2HB   TYR  55          2HB       TYR  55  -2.292   5.771 -13.871
  411    HD1  TYR  55           HD1      TYR  55  -5.026   6.646 -12.627
  412    HD2  TYR  55           HD2      TYR  55  -0.919   7.672 -11.788
  413    HE1  TYR  55           HE1      TYR  55  -5.756   8.829 -11.717
  414    HE2  TYR  55           HE2      TYR  55  -1.625   9.830 -10.877
  415    HH   TYR  55           HH       TYR  55  -3.448  11.116 -10.244
  416    HA   PRO  56           HA       PRO  56  -1.515   0.736 -13.909
  417   1HB   PRO  56          1HB       PRO  56  -1.889  -1.302 -12.228
  418   2HB   PRO  56          2HB       PRO  56  -0.784  -0.011 -11.768
  419   1HG   PRO  56          2HG       PRO  56  -3.760  -0.178 -11.130
  420   2HG   PRO  56          1HG       PRO  56  -2.433  -0.057  -9.922
  421   1HD   PRO  56          1HD       PRO  56  -3.949   1.885 -10.910
  422   2HD   PRO  56          2HD       PRO  56  -2.263   2.237 -10.432
  423    H    LYS  57           H        LYS  57  -2.872  -1.665 -13.690
  424    HA   LYS  57           HA       LYS  57  -5.096  -2.716 -13.367
  425   1HB   LYS  57          1HB       LYS  57  -6.036  -0.475 -13.160
  426   2HB   LYS  57          2HB       LYS  57  -6.123  -0.483 -14.956
  427   1HG   LYS  57          1HG       LYS  57  -7.823  -2.049 -15.033
  428   2HG   LYS  57          2HG       LYS  57  -7.522  -2.600 -13.367
  429   1HD   LYS  57          1HD       LYS  57  -9.391  -1.191 -13.305
  430   2HD   LYS  57          2HD       LYS  57  -8.067  -0.332 -12.527
  431   1HE   LYS  57          1HE       LYS  57  -8.951   0.119 -15.431
  432   2HE   LYS  57          2HE       LYS  57  -9.543   1.105 -14.089
  433   1HZ   LYS  57          1HZ       LYS  57  -6.668   1.027 -14.312
  434   2HZ   LYS  57          2HZ       LYS  57  -7.385   1.582 -15.646
  435   3HZ   LYS  57          3HZ       LYS  57  -7.641   2.326 -14.162
  436    H    GLU  58           H        GLU  58  -3.803  -1.228 -16.022
  437    HA   GLU  58           HA       GLU  58  -5.416  -2.648 -17.919
  438   1HB   GLU  58          1HB       GLU  58  -4.653  -0.151 -17.360
  439   2HB   GLU  58          2HB       GLU  58  -4.055  -0.679 -18.985
  440   1HG   GLU  58          1HG       GLU  58  -6.256  -0.992 -19.766
  441   2HG   GLU  58          2HG       GLU  58  -6.867  -1.374 -18.164
  442    H    GLY  59           H        GLY  59  -4.570  -3.976 -17.648
  443   1HA   GLY  59          2HA       GLY  59  -2.456  -5.222 -19.367
  444   2HA   GLY  59          1HA       GLY  59  -3.719  -6.164 -18.522
  445    H    ASP  60           H        ASP  60  -3.021  -4.204 -15.973
  446    HA   ASP  60           HA       ASP  60  -0.792  -5.791 -15.017
  447   1HB   ASP  60          1HB       ASP  60  -0.745  -2.989 -15.256
  448   2HB   ASP  60          2HB       ASP  60  -1.501  -3.195 -13.691
  449    H    ASP  61           H        ASP  61  -0.946  -5.950 -12.921
  450    HA   ASP  61           HA       ASP  61  -3.602  -6.929 -12.106
  451   1HB   ASP  61          1HB       ASP  61  -2.298  -8.792 -12.075
  452   2HB   ASP  61          2HB       ASP  61  -1.195  -7.892 -11.068
  453    H    ASP  62           H        ASP  62  -4.387  -4.858 -11.403
  454    HA   ASP  62           HA       ASP  62  -3.049  -3.561  -9.034
  455   1HB   ASP  62          2HB       ASP  62  -4.277  -1.683  -9.665
  456   2HB   ASP  62          1HB       ASP  62  -3.747  -2.349 -11.230
  457    H    SER  63           H        SER  63  -5.068  -6.142  -9.404
  458    HA   SER  63           HA       SER  63  -7.432  -5.488  -7.993
  459   1HB   SER  63          1HB       SER  63  -5.790  -7.933  -7.298
  460   2HB   SER  63          2HB       SER  63  -7.542  -7.768  -7.317
  461    HG   SER  63           HG       SER  63  -5.717  -8.065  -9.471
  462    HA   PRO  64           HA       PRO  64  -6.086  -3.617  -4.333
  463   1HB   PRO  64          2HB       PRO  64  -7.622  -5.677  -2.725
  464   2HB   PRO  64          1HB       PRO  64  -7.482  -3.921  -2.487
  465   1HG   PRO  64          1HG       PRO  64  -9.641  -4.866  -3.816
  466   2HG   PRO  64          2HG       PRO  64  -8.731  -3.518  -4.594
  467   1HD   PRO  64          2HD       PRO  64  -8.398  -6.490  -4.995
  468   2HD   PRO  64          1HD       PRO  64  -8.633  -5.273  -6.284
  469    H    SER  65           H        SER  65  -5.412  -6.740  -4.575
  470    HA   SER  65           HA       SER  65  -3.183  -7.224  -2.776
  471   1HB   SER  65          1HB       SER  65  -3.568  -9.470  -3.784
  472   2HB   SER  65          2HB       SER  65  -4.892  -8.844  -2.746
  473    HG   SER  65           HG       SER  65  -4.831  -9.278  -5.534
  474    H    GLY  66           H        GLY  66  -3.737  -7.303  -6.233
  475   1HA   GLY  66          2HA       GLY  66  -2.582  -7.276  -7.935
  476   2HA   GLY  66          1HA       GLY  66  -1.308  -8.129  -7.175
  477    H    ILE  67           H        ILE  67  -2.856  -4.917  -6.338
  478    HA   ILE  67           HA       ILE  67  -0.556  -3.584  -7.218
  479    HB   ILE  67           HB       ILE  67  -1.355  -1.688  -5.612
  480   1HG1  ILE  67          1HG1      ILE  67  -3.527  -3.699  -5.122
  481   2HG1  ILE  67          2HG1      ILE  67  -2.534  -2.767  -4.112
  482   1HG2  ILE  67          1HG2      ILE  67  -1.846  -1.971  -8.140
  483   2HG2  ILE  67          2HG2      ILE  67  -3.481  -2.430  -7.513
  484   3HG2  ILE  67          3HG2      ILE  67  -2.867  -0.851  -7.194
  485   1HD1  ILE  67          1HD1      ILE  67  -3.770  -0.668  -4.769
  486   2HD1  ILE  67          2HD1      ILE  67  -4.782  -1.618  -5.871
  487   3HD1  ILE  67          3HD1      ILE  67  -4.902  -1.876  -4.157
  488    H    VAL  68           H        VAL  68  -1.345  -4.845  -4.166
  489    HA   VAL  68           HA       VAL  68   0.951  -3.553  -2.887
  490    HB   VAL  68           HB       VAL  68  -0.684  -5.970  -1.955
  491   1HG1  VAL  68          1HG1      VAL  68   1.308  -5.167  -0.466
  492   2HG1  VAL  68          2HG1      VAL  68   0.477  -3.593  -0.370
  493   3HG1  VAL  68          3HG1      VAL  68  -0.275  -5.023   0.333
  494   1HG2  VAL  68          1HG2      VAL  68  -1.406  -3.081  -2.011
  495   2HG2  VAL  68          2HG2      VAL  68  -2.319  -4.501  -2.535
  496   3HG2  VAL  68          3HG2      VAL  68  -2.127  -4.197  -0.823
  497    H    ASN  69           H        ASN  69   0.109  -6.172  -4.583
  498    HA   ASN  69           HA       ASN  69   2.506  -7.848  -4.755
  499   1HB   ASN  69          1HB       ASN  69   0.079  -7.770  -5.806
  500   2HB   ASN  69          2HB       ASN  69   1.265  -8.238  -6.994
  501   2HD2  ASN  69          2HD2      ASN  69  -0.764 -10.017  -6.240
  502   1HD2  ASN  69          1HD2      ASN  69  -0.223 -11.188  -5.038
  503    H    THR  70           H        THR  70   1.359  -4.978  -6.554
  504    HA   THR  70           HA       THR  70   3.320  -5.339  -8.375
  505    HB   THR  70           HB       THR  70   1.959  -2.781  -7.449
  506    HG1  THR  70           HG1      THR  70   0.725  -4.669  -8.539
  507   1HG2  THR  70          1HG2      THR  70   3.446  -3.181 -10.072
  508   2HG2  THR  70          2HG2      THR  70   2.423  -1.794  -9.673
  509   3HG2  THR  70          3HG2      THR  70   3.909  -2.073  -8.754
  510    H    VAL  71           H        VAL  71   3.072  -3.617  -5.405
  511    HA   VAL  71           HA       VAL  71   5.699  -2.521  -5.121
  512    HB   VAL  71           HB       VAL  71   3.468  -3.053  -3.187
  513   1HG1  VAL  71          1HG1      VAL  71   6.153  -3.593  -2.093
  514   2HG1  VAL  71          2HG1      VAL  71   4.720  -3.021  -1.184
  515   3HG1  VAL  71          3HG1      VAL  71   4.682  -4.575  -1.988
  516   1HG2  VAL  71          1HG2      VAL  71   4.458  -0.987  -4.088
  517   2HG2  VAL  71          2HG2      VAL  71   4.495  -1.064  -2.303
  518   3HG2  VAL  71          3HG2      VAL  71   5.972  -1.390  -3.281
  519    H    LYS  72           H        LYS  72   4.345  -5.575  -4.311
  520    HA   LYS  72           HA       LYS  72   6.735  -6.763  -3.302
  521   1HB   LYS  72          1HB       LYS  72   4.111  -7.604  -3.851
  522   2HB   LYS  72          2HB       LYS  72   5.111  -8.798  -4.685
  523   1HG   LYS  72          1HG       LYS  72   5.087  -9.517  -2.458
  524   2HG   LYS  72          2HG       LYS  72   6.569  -8.540  -2.469
  525   1HD   LYS  72          2HD       LYS  72   5.719  -7.273  -0.938
  526   2HD   LYS  72          1HD       LYS  72   4.524  -6.673  -2.001
  527   1HE   LYS  72          1HE       LYS  72   4.068  -9.163  -0.358
  528   2HE   LYS  72          2HE       LYS  72   3.310  -7.585  -0.094
  529   1HZ   LYS  72          1HZ       LYS  72   2.860  -9.304  -2.478
  530   2HZ   LYS  72          2HZ       LYS  72   1.883  -9.150  -1.205
  531   3HZ   LYS  72          3HZ       LYS  72   2.140  -7.846  -2.182
  532    H    GLN  73           H        GLN  73   6.383  -5.964  -6.228
  533    HA   GLN  73           HA       GLN  73   8.301  -7.678  -7.304
  534   1HB   GLN  73          1HB       GLN  73   6.182  -6.147  -8.804
  535   2HB   GLN  73          2HB       GLN  73   7.399  -7.200  -9.575
  536   1HG   GLN  73          1HG       GLN  73   6.729  -8.999  -7.925
  537   2HG   GLN  73          2HG       GLN  73   5.531  -8.072  -7.331
  538   2HE2  GLN  73          2HE2      GLN  73   3.574  -7.925  -8.195
  539   1HE2  GLN  73          1HE2      GLN  73   3.071  -8.725  -9.688
  540    H    TRP  74           H        TRP  74   7.553  -4.285  -7.196
  541    HA   TRP  74           HA       TRP  74  10.061  -3.141  -8.125
  542   1HB   TRP  74          1HB       TRP  74   7.941  -1.923  -7.944
  543   2HB   TRP  74          2HB       TRP  74   8.331  -1.956  -6.219
  544    HD1  TRP  74           HD1      TRP  74   9.534  -0.755  -9.549
  545    HE1  TRP  74           HE1      TRP  74  11.622   0.718  -9.490
  546    HE3  TRP  74           HE3      TRP  74   9.897  -0.403  -4.564
  547    HZ2  TRP  74           HZ2      TRP  74  13.060   2.155  -7.459
  548    HZ3  TRP  74           HZ3      TRP  74  11.251   1.364  -3.658
  549    HH2  TRP  74           HH2      TRP  74  12.900   2.651  -5.025
  550    H    ARG  75           H        ARG  75   8.672  -3.527  -4.846
  551    HA   ARG  75           HA       ARG  75  11.151  -3.302  -3.490
  552   1HB   ARG  75          1HB       ARG  75   8.493  -4.768  -2.698
  553   2HB   ARG  75          2HB       ARG  75   9.825  -4.648  -1.636
  554   1HG   ARG  75          1HG       ARG  75   9.577  -2.043  -1.861
  555   2HG   ARG  75          2HG       ARG  75   8.024  -2.414  -2.544
  556   1HD   ARG  75          1HD       ARG  75   8.766  -2.104   0.157
  557   2HD   ARG  75          2HD       ARG  75   7.199  -2.575  -0.440
  558    HE   ARG  75           HE       ARG  75   9.370  -4.470   0.360
  559   1HH1  ARG  75          1HH1      ARG  75   5.934  -3.696   0.243
  560   2HH1  ARG  75          2HH1      ARG  75   5.475  -5.025   1.253
  561   1HH2  ARG  75          1HH2      ARG  75   8.744  -6.354   1.376
  562   2HH2  ARG  75          2HH2      ARG  75   7.087  -6.632   1.877
  563    H    ALA  76           H        ALA  76  10.195  -5.778  -5.357
  564    HA   ALA  76           HA       ALA  76  11.857  -7.632  -3.759
  565   1HB   ALA  76          1HB       ALA  76   9.889  -8.395  -5.930
  566   2HB   ALA  76          3HB       ALA  76  10.915  -9.552  -5.073
  567   3HB   ALA  76          2HB       ALA  76   9.690  -8.652  -4.164
  568    H    ALA  77           H        ALA  77  11.667  -5.948  -6.581
  569    HA   ALA  77           HA       ALA  77  13.984  -7.406  -7.690
  570   1HB   ALA  77          1HB       ALA  77  12.070  -6.766  -9.285
  571   2HB   ALA  77          3HB       ALA  77  12.312  -5.070  -8.839
  572   3HB   ALA  77          2HB       ALA  77  13.565  -5.916  -9.760
  573    H    ASN  78           H        ASN  78  13.070  -4.414  -6.437
  574    HA   ASN  78           HA       ASN  78  15.759  -3.412  -6.338
  575   1HB   ASN  78          1HB       ASN  78  13.332  -2.242  -6.617
  576   2HB   ASN  78          2HB       ASN  78  13.235  -2.464  -4.958
  577   2HD2  ASN  78          2HD2      ASN  78  15.907  -1.779  -4.002
  578   1HD2  ASN  78          1HD2      ASN  78  16.343  -0.183  -4.607
  579    H    GLY  79           H        GLY  79  13.856  -5.481  -4.845
  580   1HA   GLY  79          2HA       GLY  79  15.855  -6.408  -2.987
  581   2HA   GLY  79          1HA       GLY  79  14.170  -6.953  -2.965
  582    H    LYS  80           H        LYS  80  13.284  -4.256  -2.691
  583    HA   LYS  80           HA       LYS  80  14.334  -2.406  -1.022
  584   1HB   LYS  80          1HB       LYS  80  11.537  -3.026  -0.913
  585   2HB   LYS  80          2HB       LYS  80  12.283  -1.552  -0.268
  586   1HG   LYS  80          1HG       LYS  80  12.802  -2.508  -3.031
  587   2HG   LYS  80          2HG       LYS  80  11.410  -1.606  -2.710
  588   1HD   LYS  80          1HD       LYS  80  13.980  -0.921  -2.493
  589   2HD   LYS  80          2HD       LYS  80  12.953  -0.538  -3.777
  590   1HE   LYS  80          1HE       LYS  80  11.507   0.667  -2.160
  591   2HE   LYS  80          2HE       LYS  80  12.451   0.303  -0.930
  592   1HZ   LYS  80          1HZ       LYS  80  14.089   1.709  -2.738
  593   2HZ   LYS  80          2HZ       LYS  80  12.726   2.569  -2.295
  594   3HZ   LYS  80          3HZ       LYS  80  13.721   1.979  -1.125
  595    H    SER  81           H        SER  81  11.955  -4.320   0.313
  596    HA   SER  81           HA       SER  81  12.539  -4.462   3.226
  597   1HB   SER  81          1HB       SER  81  10.120  -3.372   3.106
  598   2HB   SER  81          2HB       SER  81  11.578  -2.534   3.581
  599    HG   SER  81           HG       SER  81  11.314  -1.250   1.815
  600    H    GLY  82           H        GLY  82  11.281  -5.570   4.177
  601   1HA   GLY  82          2HA       GLY  82  11.293  -7.896   4.028
  602   2HA   GLY  82          1HA       GLY  82  10.295  -7.837   2.514
  603    H    PHE  83           H        PHE  83   9.032  -5.810   4.754
  604    HA   PHE  83           HA       PHE  83   7.878  -5.609   6.363
  605   1HB   PHE  83          2HB       PHE  83   6.523  -8.085   5.558
  606   2HB   PHE  83          1HB       PHE  83   5.927  -6.554   6.347
  607    HD1  PHE  83           HD1      PHE  83   4.974  -4.760   5.281
  608    HD2  PHE  83           HD2      PHE  83   5.916  -8.494   3.497
  609    HE1  PHE  83           HE1      PHE  83   3.715  -4.129   3.411
  610    HE2  PHE  83           HE2      PHE  83   4.618  -7.993   1.611
  611    HZ   PHE  83           HZ       PHE  83   3.383  -5.742   1.443
  612    H    LYS  84           H        LYS  84   6.630  -6.930   7.708
  613    HA   LYS  84           HA       LYS  84   7.629  -8.627   9.755
  614   1HB   LYS  84          1HB       LYS  84   6.548  -6.356   9.813
  615   2HB   LYS  84          2HB       LYS  84   5.146  -7.423   9.702
  616   1HG   LYS  84          1HG       LYS  84   5.467  -8.350  11.780
  617   2HG   LYS  84          2HG       LYS  84   7.234  -8.047  11.786
  618   1HD   LYS  84          1HD       LYS  84   6.866  -5.673  11.961
  619   2HD   LYS  84          2HD       LYS  84   5.097  -5.932  11.850
  620   1HE   LYS  84          1HE       LYS  84   5.098  -7.067  13.990
  621   2HE   LYS  84          2HE       LYS  84   6.854  -6.938  14.124
  622   1HZ   LYS  84          1HZ       LYS  84   5.087  -4.582  13.854
  623   2HZ   LYS  84          2HZ       LYS  84   5.541  -5.185  15.330
  624   3HZ   LYS  84          3HZ       LYS  84   6.624  -4.511  14.307
  625    H    GLN  85           H        GLN  85   5.889  -9.684  10.423
  626    HA   GLN  85           HA       GLN  85   4.517 -11.645   8.677
  627   1HB   GLN  85          1HB       GLN  85   6.844 -12.208   9.444
  628   2HB   GLN  85          2HB       GLN  85   5.631 -13.229  10.277
  629   1HG   GLN  85          1HG       GLN  85   4.824 -14.065   8.242
  630   2HG   GLN  85          2HG       GLN  85   5.651 -12.799   7.310
  631   2HE2  GLN  85          2HE2      GLN  85   7.917 -12.985   6.842
  632   1HE2  GLN  85          1HE2      GLN  85   8.736 -14.525   7.091
  633    H    GLY  86           H        GLY  86   5.499 -10.936  11.914
  634   1HA   GLY  86          2HA       GLY  86   3.495 -11.532  13.654
  635   2HA   GLY  86          1HA       GLY  86   2.998 -10.042  12.796

  No H/Q in entry =         635
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -8.634   3.396  10.032
    2    H2   MET   1           H2       MET   1  -7.611   3.827   8.848
    3    H3   MET   1           H3       MET   1  -8.846   2.773   8.515
    4    HA   MET   1           HA       MET   1  -7.965   1.099   9.901
    5   1HB   MET   1          1HB       MET   1  -7.362   1.192   7.581
    6   2HB   MET   1          2HB       MET   1  -5.973   2.222   7.906
    7   1HG   MET   1          1HG       MET   1  -5.519  -0.189   7.368
    8   2HG   MET   1          2HG       MET   1  -4.753   0.407   8.812
    9   1HE   MET   1          1HE       MET   1  -4.614  -2.515   8.213
   10   2HE   MET   1          2HE       MET   1  -4.041  -1.782   9.725
   11   3HE   MET   1          3HE       MET   1  -5.052  -3.242   9.776
   12    H    GLU   2           H        GLU   2  -5.592   0.400  10.721
   13    HA   GLU   2           HA       GLU   2  -4.302   2.248  12.593
   14   1HB   GLU   2          1HB       GLU   2  -4.462  -0.541  12.276
   15   2HB   GLU   2          2HB       GLU   2  -2.889  -0.194  11.607
   16   1HG   GLU   2          1HG       GLU   2  -3.720   0.843  14.351
   17   2HG   GLU   2          2HG       GLU   2  -3.226  -0.824  14.126
   18    H    LEU   3           H        LEU   3  -1.521   2.103  11.764
   19    HA   LEU   3           HA       LEU   3  -1.270   2.004   9.103
   20   1HB   LEU   3          1HB       LEU   3  -0.773   4.610  10.623
   21   2HB   LEU   3          2HB       LEU   3   0.311   4.118   9.312
   22    HG   LEU   3           HG       LEU   3  -2.685   4.600   8.968
   23   1HD1  LEU   3          1HD1      LEU   3  -0.169   6.086   8.093
   24   2HD1  LEU   3          2HD1      LEU   3  -1.788   6.456   7.517
   25   3HD1  LEU   3          3HD1      LEU   3  -1.376   6.666   9.255
   26   1HD2  LEU   3          1HD2      LEU   3  -0.739   3.114   7.382
   27   2HD2  LEU   3          2HD2      LEU   3  -2.474   3.163   7.374
   28   3HD2  LEU   3          3HD2      LEU   3  -1.544   4.410   6.494
   29    H    LYS   4           H        LYS   4   0.975   3.505  10.980
   30    HA   LYS   4           HA       LYS   4   2.413   2.027  12.696
   31   1HB   LYS   4          1HB       LYS   4   2.287   0.510  10.221
   32   2HB   LYS   4          2HB       LYS   4   3.842   1.172  10.457
   33   1HG   LYS   4          1HG       LYS   4   3.834  -0.953  11.554
   34   2HG   LYS   4          2HG       LYS   4   3.825   0.285  12.850
   35   1HD   LYS   4          1HD       LYS   4   1.419   0.041  12.951
   36   2HD   LYS   4          2HD       LYS   4   1.501  -1.285  11.775
   37   1HE   LYS   4          1HE       LYS   4   2.982  -1.539  14.359
   38   2HE   LYS   4          2HE       LYS   4   1.204  -1.528  14.411
   39   1HZ   LYS   4          1HZ       LYS   4   1.220  -3.348  12.749
   40   2HZ   LYS   4          2HZ       LYS   4   2.853  -3.424  12.871
   41   3HZ   LYS   4          3HZ       LYS   4   1.890  -3.762  14.156
   42    H    HIS   5           H        HIS   5   4.917   2.323  12.121
   43    HA   HIS   5           HA       HIS   5   5.116   5.147  11.320
   44   1HB   HIS   5          2HB       HIS   5   7.562   3.805  12.276
   45   2HB   HIS   5          1HB       HIS   5   6.909   5.372  12.660
   46    HD1  HIS   5           HD1      HIS   5   4.850   5.233  14.669
   47    HD2  HIS   5           HD2      HIS   5   7.069   1.815  13.721
   48    HE1  HIS   5           HE1      HIS   5   4.284   3.507  16.483
   49    H    SER   6           H        SER   6   5.917   2.041  10.668
   50    HA   SER   6           HA       SER   6   7.239   2.582   8.190
   51   1HB   SER   6          2HB       SER   6   8.155   0.227   9.386
   52   2HB   SER   6          1HB       SER   6   8.862   1.783   9.039
   53    HG   SER   6           HG       SER   6   8.345   0.806  11.578
   54    H    ILE   7           H        ILE   7   6.988   1.216   6.580
   55    HA   ILE   7           HA       ILE   7   5.023  -0.734   6.272
   56    HB   ILE   7           HB       ILE   7   6.252   0.293   4.478
   57   1HG1  ILE   7          1HG1      ILE   7   6.965  -2.662   4.406
   58   2HG1  ILE   7          2HG1      ILE   7   5.312  -2.021   4.255
   59   1HG2  ILE   7          1HG2      ILE   7   8.765  -1.149   5.464
   60   2HG2  ILE   7          2HG2      ILE   7   8.627  -0.245   3.951
   61   3HG2  ILE   7          3HG2      ILE   7   8.494   0.613   5.463
   62   1HD1  ILE   7          1HD1      ILE   7   6.330  -0.469   2.478
   63   2HD1  ILE   7          2HD1      ILE   7   7.668  -1.665   2.472
   64   3HD1  ILE   7          3HD1      ILE   7   5.967  -2.162   2.135
   65    H    SER   8           H        SER   8   7.551  -0.812   8.466
   66    HA   SER   8           HA       SER   8   8.207  -3.577   8.104
   67   1HB   SER   8          2HB       SER   8  10.070  -2.867   7.854
   68   2HB   SER   8          1HB       SER   8   9.430  -1.342   7.807
   69    HG   SER   8           HG       SER   8  10.270  -2.353  10.301
   70    H    ASP   9           H        ASP   9   6.878  -1.167  10.415
   71    HA   ASP   9           HA       ASP   9   7.099  -3.129  12.550
   72   1HB   ASP   9          1HB       ASP   9   5.791  -0.417  12.130
   73   2HB   ASP   9          2HB       ASP   9   5.218  -1.421  13.460
   74    H    TYR  10           H        TYR  10   5.550  -3.100   9.619
   75    HA   TYR  10           HA       TYR  10   3.315  -4.656  10.752
   76   1HB   TYR  10          2HB       TYR  10   1.660  -3.474  10.022
   77   2HB   TYR  10          1HB       TYR  10   2.785  -2.226  10.268
   78    HD1  TYR  10           HD1      TYR  10   3.990  -3.086   7.197
   79    HD2  TYR  10           HD2      TYR  10   0.298  -1.816   9.029
   80    HE1  TYR  10           HE1      TYR  10   3.377  -1.855   5.141
   81    HE2  TYR  10           HE2      TYR  10  -0.357  -0.737   6.902
   82    HH   TYR  10           HH       TYR  10   1.979   0.638   5.118
   83    H    THR  11           H        THR  11   2.403  -6.273   9.285
   84    HA   THR  11           HA       THR  11   4.580  -7.381   7.563
   85    HB   THR  11           HB       THR  11   3.903  -9.280   8.121
   86    HG1  THR  11           HG1      THR  11   1.794 -10.148   8.054
   87   1HG2  THR  11          1HG2      THR  11   3.324  -8.212  10.405
   88   2HG2  THR  11          2HG2      THR  11   1.636  -8.431   9.924
   89   3HG2  THR  11          3HG2      THR  11   2.684  -9.820  10.091
   90    H    GLU  12           H        GLU  12   3.371  -8.746   5.605
   91    HA   GLU  12           HA       GLU  12   2.504  -6.730   3.771
   92   1HB   GLU  12          1HB       GLU  12   3.447  -8.976   3.036
   93   2HB   GLU  12          2HB       GLU  12   1.925  -9.706   3.595
   94   1HG   GLU  12          1HG       GLU  12   0.719  -7.910   2.101
   95   2HG   GLU  12          2HG       GLU  12   2.248  -7.499   1.506
   96    H    ALA  13           H        ALA  13   0.818  -8.565   6.069
   97    HA   ALA  13           HA       ALA  13  -1.708  -8.682   4.441
   98   1HB   ALA  13          1HB       ALA  13  -1.236 -10.609   5.939
   99   2HB   ALA  13          3HB       ALA  13  -1.230  -9.519   7.349
  100   3HB   ALA  13          2HB       ALA  13  -2.725  -9.771   6.424
  101    H    GLU  14           H        GLU  14  -0.302  -7.142   7.141
  102    HA   GLU  14           HA       GLU  14  -2.130  -5.251   8.001
  103   1HB   GLU  14          1HB       GLU  14   0.708  -6.068   8.154
  104   2HB   GLU  14          2HB       GLU  14   0.567  -4.353   8.260
  105   1HG   GLU  14          1HG       GLU  14  -1.258  -4.795  10.018
  106   2HG   GLU  14          2HG       GLU  14  -0.894  -6.534   9.806
  107    H    PHE  15           H        PHE  15   0.277  -4.969   5.351
  108    HA   PHE  15           HA       PHE  15  -0.611  -2.224   4.678
  109   1HB   PHE  15          1HB       PHE  15   1.688  -3.295   4.301
  110   2HB   PHE  15          2HB       PHE  15   1.014  -4.149   2.940
  111    HD1  PHE  15           HD1      PHE  15  -0.519  -0.889   2.937
  112    HD2  PHE  15           HD2      PHE  15   3.256  -2.808   2.103
  113    HE1  PHE  15           HE1      PHE  15   0.274   1.116   1.833
  114    HE2  PHE  15           HE2      PHE  15   3.978  -0.816   0.880
  115    HZ   PHE  15           HZ       PHE  15   2.510   1.175   0.765
  116    H    LEU  16           H        LEU  16  -1.233  -5.650   3.750
  117    HA   LEU  16           HA       LEU  16  -2.231  -4.809   1.157
  118   1HB   LEU  16          1HB       LEU  16  -1.343  -7.018   1.689
  119   2HB   LEU  16          2HB       LEU  16  -2.687  -7.350   2.768
  120    HG   LEU  16           HG       LEU  16  -4.236  -7.583   1.104
  121   1HD1  LEU  16          1HD1      LEU  16  -3.698  -5.521  -0.295
  122   2HD1  LEU  16          2HD1      LEU  16  -2.448  -6.480  -1.087
  123   3HD1  LEU  16          3HD1      LEU  16  -4.194  -6.941  -1.117
  124   1HD2  LEU  16          1HD2      LEU  16  -2.390  -9.373   0.922
  125   2HD2  LEU  16          2HD2      LEU  16  -3.181  -9.114  -0.642
  126   3HD2  LEU  16          3HD2      LEU  16  -1.580  -8.405  -0.307
  127    H    GLN  17           H        GLN  17  -3.631  -5.292   4.296
  128    HA   GLN  17           HA       GLN  17  -6.203  -5.142   3.656
  129   1HB   GLN  17          1HB       GLN  17  -5.617  -6.210   5.707
  130   2HB   GLN  17          2HB       GLN  17  -4.571  -4.853   6.207
  131   1HG   GLN  17          1HG       GLN  17  -6.340  -3.444   6.659
  132   2HG   GLN  17          2HG       GLN  17  -7.518  -4.487   5.826
  133   2HE2  GLN  17          2HE2      GLN  17  -7.542  -3.379   8.642
  134   1HE2  GLN  17          1HE2      GLN  17  -7.704  -4.817   9.645
  135    H    LEU  18           H        LEU  18  -3.623  -2.894   4.283
  136    HA   LEU  18           HA       LEU  18  -5.251  -0.694   5.017
  137   1HB   LEU  18          1HB       LEU  18  -2.856  -0.900   5.692
  138   2HB   LEU  18          2HB       LEU  18  -2.375  -0.822   4.000
  139    HG   LEU  18           HG       LEU  18  -3.340   1.482   3.844
  140   1HD1  LEU  18          1HD1      LEU  18  -4.949   1.269   5.718
  141   2HD1  LEU  18          2HD1      LEU  18  -3.573   1.142   6.852
  142   3HD1  LEU  18          3HD1      LEU  18  -3.881   2.615   5.939
  143   1HD2  LEU  18          1HD2      LEU  18  -0.973   1.147   4.122
  144   2HD2  LEU  18          2HD2      LEU  18  -1.641   2.622   4.829
  145   3HD2  LEU  18          3HD2      LEU  18  -1.183   1.250   5.887
  146    H    VAL  19           H        VAL  19  -3.793  -1.919   2.113
  147    HA   VAL  19           HA       VAL  19  -4.213   0.271   0.027
  148    HB   VAL  19           HB       VAL  19  -3.866  -2.705  -0.013
  149   1HG1  VAL  19          1HG1      VAL  19  -4.118  -0.626  -2.237
  150   2HG1  VAL  19          2HG1      VAL  19  -3.687  -2.339  -2.409
  151   3HG1  VAL  19          3HG1      VAL  19  -5.284  -1.931  -1.903
  152   1HG2  VAL  19          1HG2      VAL  19  -2.122  -0.561   0.551
  153   2HG2  VAL  19          2HG2      VAL  19  -1.658  -2.126  -0.042
  154   3HG2  VAL  19          3HG2      VAL  19  -1.992  -0.790  -1.195
  155    H    THR  20           H        THR  20  -5.818  -2.692   1.342
  156    HA   THR  20           HA       THR  20  -8.231  -2.706  -0.142
  157    HB   THR  20           HB       THR  20  -6.790  -4.042   2.042
  158    HG1  THR  20           HG1      THR  20  -6.428  -4.796   0.106
  159   1HG2  THR  20          1HG2      THR  20  -8.683  -4.090   3.281
  160   2HG2  THR  20          2HG2      THR  20  -9.599  -4.838   1.923
  161   3HG2  THR  20          3HG2      THR  20  -8.214  -5.681   2.696
  162    H    THR  21           H        THR  21  -7.325  -0.926   2.813
  163    HA   THR  21           HA       THR  21  -9.967  -0.246   3.756
  164    HB   THR  21           HB       THR  21  -7.204  -0.084   4.476
  165    HG1  THR  21           HG1      THR  21  -9.100   0.650   6.302
  166   1HG2  THR  21          1HG2      THR  21  -8.650   2.595   4.758
  167   2HG2  THR  21          2HG2      THR  21  -7.215   2.088   5.635
  168   3HG2  THR  21          3HG2      THR  21  -7.159   2.268   3.886
  169    H    ILE  22           H        ILE  22  -7.683   0.883   1.400
  170    HA   ILE  22           HA       ILE  22  -8.910   3.497   0.945
  171    HB   ILE  22           HB       ILE  22  -6.890   2.251  -0.945
  172   1HG1  ILE  22          1HG1      ILE  22  -6.347   3.165   1.870
  173   2HG1  ILE  22          2HG1      ILE  22  -5.709   1.800   0.927
  174   1HG2  ILE  22          1HG2      ILE  22  -8.074   4.447  -1.364
  175   2HG2  ILE  22          2HG2      ILE  22  -7.135   5.108  -0.001
  176   3HG2  ILE  22          3HG2      ILE  22  -6.311   4.450  -1.438
  177   1HD1  ILE  22          1HD1      ILE  22  -4.368   3.341  -0.421
  178   2HD1  ILE  22          2HD1      ILE  22  -4.966   4.655   0.624
  179   3HD1  ILE  22          3HD1      ILE  22  -3.981   3.347   1.322
  180    H    CYS  23           H        CYS  23  -8.417   0.391  -0.784
  181    HA   CYS  23           HA       CYS  23 -10.460   0.875  -2.731
  182   1HB   CYS  23          2HB       CYS  23  -9.599  -1.913  -1.767
  183   2HB   CYS  23          1HB       CYS  23 -10.355  -1.438  -3.264
  184    HG   CYS  23           HG       CYS  23  -8.353   0.074  -4.137
  185    H    ASN  24           H        ASN  24 -10.641   0.597   0.741
  186    HA   ASN  24           HA       ASN  24 -13.528  -0.241   0.415
  187   1HB   ASN  24          1HB       ASN  24 -11.574  -0.541   2.561
  188   2HB   ASN  24          2HB       ASN  24 -13.005   0.207   3.100
  189   2HD2  ASN  24          2HD2      ASN  24 -11.672  -2.617   1.525
  190   1HD2  ASN  24          1HD2      ASN  24 -13.054  -3.696   1.810
  191    H    ALA  25           H        ALA  25 -11.610   2.485   1.560
  192    HA   ALA  25           HA       ALA  25 -12.046   4.618   2.335
  193   1HB   ALA  25          1HB       ALA  25 -14.806   4.178   0.985
  194   2HB   ALA  25          3HB       ALA  25 -14.304   5.664   1.753
  195   3HB   ALA  25          2HB       ALA  25 -13.426   5.072   0.322
  196    H    ASP  26           H        ASP  26 -12.114   2.285   3.656
  197    HA   ASP  26           HA       ASP  26 -13.710   1.653   5.826
  198   1HB   ASP  26          1HB       ASP  26 -11.791   0.547   5.197
  199   2HB   ASP  26          2HB       ASP  26 -10.803   1.940   5.159
  200    H    THR  27           H        THR  27 -12.282   4.393   5.111
  201    HA   THR  27           HA       THR  27 -11.385   5.387   7.656
  202    HB   THR  27           HB       THR  27 -10.067   6.688   6.504
  203    HG1  THR  27           HG1      THR  27 -11.702   6.615   4.206
  204   1HG2  THR  27          1HG2      THR  27  -9.502   4.426   5.886
  205   2HG2  THR  27          2HG2      THR  27 -10.464   4.566   4.388
  206   3HG2  THR  27          3HG2      THR  27  -9.047   5.593   4.628
  207    H    SER  28           H        SER  28 -11.250   8.002   7.594
  208    HA   SER  28           HA       SER  28 -13.652   9.089   8.530
  209   1HB   SER  28          1HB       SER  28 -12.397  11.213   8.098
  210   2HB   SER  28          2HB       SER  28 -11.576   9.933   9.080
  211    HG   SER  28           HG       SER  28 -10.315  11.101   7.561
  212    H    SER  29           H        SER  29 -12.497   8.559   5.461
  213    HA   SER  29           HA       SER  29 -14.258   7.849   3.927
  214   1HB   SER  29          1HB       SER  29 -15.709   9.982   4.644
  215   2HB   SER  29          2HB       SER  29 -16.241   8.757   3.521
  216    HG   SER  29           HG       SER  29 -15.477   7.602   5.867
  217    H    GLU  30           H        GLU  30 -12.393  10.359   3.880
  218    HA   GLU  30           HA       GLU  30 -12.100   9.874   1.222
  219   1HB   GLU  30          1HB       GLU  30 -13.970  11.756   1.134
  220   2HB   GLU  30          2HB       GLU  30 -12.710  12.855   1.643
  221   1HG   GLU  30          2HG       GLU  30 -13.029  13.131  -0.694
  222   2HG   GLU  30          1HG       GLU  30 -11.472  12.353  -0.509
  223    H    GLU  31           H        GLU  31 -11.149  11.052   4.000
  224    HA   GLU  31           HA       GLU  31  -9.010  12.710   3.408
  225   1HB   GLU  31          1HB       GLU  31 -11.155  12.670   4.852
  226   2HB   GLU  31          2HB       GLU  31 -10.115  11.766   5.618
  227   1HG   GLU  31          1HG       GLU  31  -8.411  13.686   5.706
  228   2HG   GLU  31          2HG       GLU  31  -9.874  14.667   5.397
  229    H    GLU  32           H        GLU  32  -9.401  10.392   5.710
  230    HA   GLU  32           HA       GLU  32  -6.770   9.326   6.164
  231   1HB   GLU  32          1HB       GLU  32  -9.400   8.491   6.459
  232   2HB   GLU  32          2HB       GLU  32  -8.200   7.205   6.047
  233   1HG   GLU  32          1HG       GLU  32  -7.283   8.903   8.164
  234   2HG   GLU  32          2HG       GLU  32  -8.798   8.189   8.584
  235    H    LEU  33           H        LEU  33  -9.305   8.872   3.619
  236    HA   LEU  33           HA       LEU  33  -8.060   6.762   2.328
  237   1HB   LEU  33          1HB       LEU  33  -9.998   8.900   1.491
  238   2HB   LEU  33          2HB       LEU  33  -9.326   7.923   0.220
  239    HG   LEU  33           HG       LEU  33 -10.134   6.360   2.648
  240   1HD1  LEU  33          1HD1      LEU  33 -11.766   8.161   2.582
  241   2HD1  LEU  33          2HD1      LEU  33 -12.306   7.658   0.959
  242   3HD1  LEU  33          3HD1      LEU  33 -12.501   6.619   2.394
  243   1HD2  LEU  33          1HD2      LEU  33  -9.342   5.592   0.276
  244   2HD2  LEU  33          2HD2      LEU  33 -10.812   4.801   0.785
  245   3HD2  LEU  33          3HD2      LEU  33 -10.891   6.148  -0.348
  246    H    VAL  34           H        VAL  34  -7.904  10.270   1.381
  247    HA   VAL  34           HA       VAL  34  -5.866  10.131  -0.529
  248    HB   VAL  34           HB       VAL  34  -6.972  12.116   1.228
  249   1HG1  VAL  34          1HG1      VAL  34  -4.647  12.695  -0.648
  250   2HG1  VAL  34          2HG1      VAL  34  -5.695  13.947   0.062
  251   3HG1  VAL  34          3HG1      VAL  34  -4.674  12.955   1.109
  252   1HG2  VAL  34          1HG2      VAL  34  -8.184  11.378  -0.787
  253   2HG2  VAL  34          2HG2      VAL  34  -7.769  13.096  -0.865
  254   3HG2  VAL  34          3HG2      VAL  34  -6.814  11.904  -1.788
  255    H    LYS  35           H        LYS  35  -5.739  10.004   2.946
  256    HA   LYS  35           HA       LYS  35  -2.834  10.626   3.190
  257   1HB   LYS  35          1HB       LYS  35  -4.152  11.543   4.858
  258   2HB   LYS  35          2HB       LYS  35  -5.136  10.085   5.010
  259   1HG   LYS  35          1HG       LYS  35  -3.270   8.829   5.841
  260   2HG   LYS  35          2HG       LYS  35  -2.219  10.259   5.767
  261   1HD   LYS  35          1HD       LYS  35  -3.457  11.411   7.352
  262   2HD   LYS  35          2HD       LYS  35  -4.857  10.327   7.215
  263   1HE   LYS  35          1HE       LYS  35  -2.157   9.568   8.428
  264   2HE   LYS  35          2HE       LYS  35  -3.618   9.949   9.359
  265   1HZ   LYS  35          1HZ       LYS  35  -3.409   7.680   7.463
  266   2HZ   LYS  35          2HZ       LYS  35  -3.299   7.538   9.085
  267   3HZ   LYS  35          3HZ       LYS  35  -4.689   7.970   8.398
  268    H    LEU  36           H        LEU  36  -5.009   7.633   3.138
  269    HA   LEU  36           HA       LEU  36  -2.836   5.969   3.794
  270   1HB   LEU  36          1HB       LEU  36  -5.813   5.827   2.961
  271   2HB   LEU  36          2HB       LEU  36  -4.873   4.374   3.196
  272    HG   LEU  36           HG       LEU  36  -5.659   6.358   5.276
  273   1HD1  LEU  36          1HD1      LEU  36  -7.064   4.513   4.730
  274   2HD1  LEU  36          2HD1      LEU  36  -5.688   3.431   5.099
  275   3HD1  LEU  36          3HD1      LEU  36  -6.429   4.421   6.393
  276   1HD2  LEU  36          1HD2      LEU  36  -3.327   4.537   5.393
  277   2HD2  LEU  36          2HD2      LEU  36  -3.424   6.231   5.887
  278   3HD2  LEU  36          3HD2      LEU  36  -4.233   5.001   6.873
  279    H    VAL  37           H        VAL  37  -4.328   7.469   1.017
  280    HA   VAL  37           HA       VAL  37  -3.151   5.797  -0.931
  281    HB   VAL  37           HB       VAL  37  -4.349   8.526  -0.827
  282   1HG1  VAL  37          1HG1      VAL  37  -2.618   7.870  -3.216
  283   2HG1  VAL  37          2HG1      VAL  37  -3.841   9.162  -3.121
  284   3HG1  VAL  37          3HG1      VAL  37  -2.425   9.238  -2.090
  285   1HG2  VAL  37          1HG2      VAL  37  -5.682   6.602  -1.330
  286   2HG2  VAL  37          2HG2      VAL  37  -5.670   7.712  -2.695
  287   3HG2  VAL  37          3HG2      VAL  37  -4.683   6.236  -2.757
  288    H    THR  38           H        THR  38  -2.071   8.788   0.628
  289    HA   THR  38           HA       THR  38   0.474   8.948  -0.528
  290    HB   THR  38           HB       THR  38  -0.863  10.318   1.300
  291    HG1  THR  38           HG1      THR  38  -0.081  10.697  -1.361
  292   1HG2  THR  38          1HG2      THR  38   1.468  10.709   2.021
  293   2HG2  THR  38          2HG2      THR  38   1.930  11.001   0.329
  294   3HG2  THR  38          3HG2      THR  38   0.898  12.168   1.185
  295    H    HIS  39           H        HIS  39  -0.648   7.655   2.558
  296    HA   HIS  39           HA       HIS  39   1.915   7.020   3.639
  297   1HB   HIS  39          1HB       HIS  39  -0.397   6.838   4.803
  298   2HB   HIS  39          2HB       HIS  39  -0.493   5.367   3.867
  299    HD1  HIS  39           HD1      HIS  39   2.500   6.698   6.105
  300    HD2  HIS  39           HD2      HIS  39   0.227   3.288   5.147
  301    HE1  HIS  39           HE1      HIS  39   3.016   5.031   7.864
  302    H    PHE  40           H        PHE  40  -0.235   5.408   1.174
  303    HA   PHE  40           HA       PHE  40   1.453   3.089   0.991
  304   1HB   PHE  40          1HB       PHE  40  -0.795   3.366  -0.207
  305   2HB   PHE  40          2HB       PHE  40   0.081   4.259  -1.456
  306    HD1  PHE  40           HD1      PHE  40   2.179   3.135  -2.574
  307    HD2  PHE  40           HD2      PHE  40  -0.751   1.034  -0.224
  308    HE1  PHE  40           HE1      PHE  40   3.002   1.017  -3.428
  309    HE2  PHE  40           HE2      PHE  40   0.134  -1.142  -1.111
  310    HZ   PHE  40           HZ       PHE  40   1.888  -1.161  -2.747
  311    H    GLU  41           H        GLU  41   1.441   5.955  -0.993
  312    HA   GLU  41           HA       GLU  41   3.642   5.851  -2.500
  313   1HB   GLU  41          1HB       GLU  41   3.078   8.347  -1.334
  314   2HB   GLU  41          2HB       GLU  41   3.728   7.967  -2.938
  315   1HG   GLU  41          1HG       GLU  41   1.504   6.946  -3.476
  316   2HG   GLU  41          2HG       GLU  41   0.963   7.508  -1.953
  317    H    GLU  42           H        GLU  42   3.590   6.473   0.891
  318    HA   GLU  42           HA       GLU  42   6.172   7.558   1.258
  319   1HB   GLU  42          1HB       GLU  42   4.382   8.419   2.333
  320   2HB   GLU  42          2HB       GLU  42   4.173   6.792   2.877
  321   1HG   GLU  42          1HG       GLU  42   6.672   7.800   3.864
  322   2HG   GLU  42          2HG       GLU  42   5.304   8.889   4.226
  323    H    MET  43           H        MET  43   4.384   4.830   2.289
  324    HA   MET  43           HA       MET  43   5.865   3.757   4.082
  325   1HB   MET  43          1HB       MET  43   3.894   2.632   2.151
  326   2HB   MET  43          2HB       MET  43   4.741   1.446   3.040
  327   1HG   MET  43          1HG       MET  43   3.368   3.716   4.427
  328   2HG   MET  43          2HG       MET  43   2.516   2.261   3.883
  329   1HE   MET  43          1HE       MET  43   4.464   4.100   6.249
  330   2HE   MET  43          2HE       MET  43   4.737   3.049   7.632
  331   3HE   MET  43          3HE       MET  43   5.900   3.086   6.276
  332    H    THR  44           H        THR  44   5.993   2.959   0.714
  333    HA   THR  44           HA       THR  44   7.733   0.661   1.219
  334    HB   THR  44           HB       THR  44   5.906  -0.142   0.294
  335    HG1  THR  44           HG1      THR  44   7.748   0.293  -1.626
  336   1HG2  THR  44          1HG2      THR  44   5.534   2.424  -1.327
  337   2HG2  THR  44          2HG2      THR  44   4.605   0.955  -1.667
  338   3HG2  THR  44          3HG2      THR  44   4.502   1.695  -0.097
  339    H    GLU  45           H        GLU  45   8.378   3.801   0.329
  340    HA   GLU  45           HA       GLU  45   9.755   4.855  -1.172
  341   1HB   GLU  45          1HB       GLU  45  11.391   3.444   0.208
  342   2HB   GLU  45          2HB       GLU  45  11.477   2.432  -1.228
  343   1HG   GLU  45          1HG       GLU  45  12.108   4.630  -2.502
  344   2HG   GLU  45          2HG       GLU  45  12.351   5.322  -0.892
  345    H    HIS  46           H        HIS  46   7.398   3.606  -2.280
  346    HA   HIS  46           HA       HIS  46   8.435   1.932  -4.414
  347   1HB   HIS  46          1HB       HIS  46   6.366   1.164  -3.425
  348   2HB   HIS  46          2HB       HIS  46   5.536   2.623  -3.993
  349    HD1  HIS  46           HD1      HIS  46   4.551   2.389  -6.396
  350    HD2  HIS  46           HD2      HIS  46   7.704  -0.329  -5.640
  351    HE1  HIS  46           HE1      HIS  46   5.000   1.101  -8.558
  352    HA   PRO  47           HA       PRO  47   8.876   5.097  -7.709
  353   1HB   PRO  47          2HB       PRO  47   7.495   2.698  -8.946
  354   2HB   PRO  47          1HB       PRO  47   8.771   3.739  -9.638
  355   1HG   PRO  47          1HG       PRO  47   9.182   1.267  -8.214
  356   2HG   PRO  47          2HG       PRO  47  10.403   2.543  -8.366
  357   1HD   PRO  47          2HD       PRO  47   8.905   1.521  -6.253
  358   2HD   PRO  47          1HD       PRO  47  10.247   2.654  -6.218
  359    H    SER  48           H        SER  48   5.888   3.197  -7.677
  360    HA   SER  48           HA       SER  48   4.570   5.362  -9.086
  361   1HB   SER  48          1HB       SER  48   3.599   2.584  -9.300
  362   2HB   SER  48          2HB       SER  48   3.568   3.874 -10.479
  363    HG   SER  48           HG       SER  48   5.068   2.537 -11.179
  364    H    GLY  49           H        GLY  49   4.388   5.867  -6.784
  365   1HA   GLY  49          2HA       GLY  49   3.060   6.640  -4.975
  366   2HA   GLY  49          1HA       GLY  49   2.976   4.903  -4.633
  367    H    SER  50           H        SER  50   1.326   7.602  -6.242
  368    HA   SER  50           HA       SER  50  -1.323   6.511  -5.805
  369   1HB   SER  50          1HB       SER  50  -0.267   8.752  -7.586
  370   2HB   SER  50          2HB       SER  50  -1.986   8.389  -7.357
  371    HG   SER  50           HG       SER  50  -0.114   9.174  -5.328
  372    H    ASP  51           H        ASP  51   0.753   4.886  -7.844
  373    HA   ASP  51           HA       ASP  51  -0.611   5.301 -10.350
  374   1HB   ASP  51          1HB       ASP  51   2.325   5.435  -9.758
  375   2HB   ASP  51          2HB       ASP  51   1.712   4.918 -11.323
  376    H    LEU  52           H        LEU  52   0.497   3.332  -7.600
  377    HA   LEU  52           HA       LEU  52  -0.542   1.122  -9.315
  378   1HB   LEU  52          1HB       LEU  52   0.418  -0.329  -7.466
  379   2HB   LEU  52          2HB       LEU  52   1.355   0.216  -8.845
  380    HG   LEU  52           HG       LEU  52   2.722   1.567  -7.600
  381   1HD1  LEU  52          1HD1      LEU  52   0.949   2.380  -5.941
  382   2HD1  LEU  52          2HD1      LEU  52   1.106   0.839  -5.121
  383   3HD1  LEU  52          3HD1      LEU  52   2.501   1.987  -5.247
  384   1HD2  LEU  52          1HD2      LEU  52   2.117  -1.042  -6.312
  385   2HD2  LEU  52          2HD2      LEU  52   3.201  -0.685  -7.693
  386   3HD2  LEU  52          3HD2      LEU  52   3.590  -0.071  -6.081
  387    H    ILE  53           H        ILE  53  -2.113   3.264  -8.020
  388    HA   ILE  53           HA       ILE  53  -3.291   1.461  -6.052
  389    HB   ILE  53           HB       ILE  53  -2.818   4.369  -5.844
  390   1HG1  ILE  53          1HG1      ILE  53  -1.036   2.580  -5.080
  391   2HG1  ILE  53          2HG1      ILE  53  -1.670   3.540  -3.809
  392   1HG2  ILE  53          1HG2      ILE  53  -4.750   2.568  -4.324
  393   2HG2  ILE  53          2HG2      ILE  53  -4.232   4.211  -3.808
  394   3HG2  ILE  53          3HG2      ILE  53  -5.114   3.944  -5.326
  395   1HD1  ILE  53          1HD1      ILE  53  -2.557   0.818  -4.391
  396   2HD1  ILE  53          2HD1      ILE  53  -1.347   1.374  -3.246
  397   3HD1  ILE  53          3HD1      ILE  53  -3.067   1.898  -3.055
  398    H    TYR  54           H        TYR  54  -3.986   3.928  -8.587
  399    HA   TYR  54           HA       TYR  54  -6.070   2.006  -9.446
  400   1HB   TYR  54          1HB       TYR  54  -7.027   4.762  -9.663
  401   2HB   TYR  54          2HB       TYR  54  -7.858   3.269  -9.275
  402    HD1  TYR  54           HD1      TYR  54  -5.827   6.085  -7.840
  403    HD2  TYR  54           HD2      TYR  54  -7.957   2.494  -6.850
  404    HE1  TYR  54           HE1      TYR  54  -5.848   6.663  -5.409
  405    HE2  TYR  54           HE2      TYR  54  -8.433   3.353  -4.598
  406    HH   TYR  54           HH       TYR  54  -8.225   5.254  -3.174
  407    H    TYR  55           H        TYR  55  -3.510   3.973 -10.415
  408    HA   TYR  55           HA       TYR  55  -4.301   4.440 -13.137
  409   1HB   TYR  55          1HB       TYR  55  -1.588   4.039 -11.877
  410   2HB   TYR  55          2HB       TYR  55  -1.831   4.297 -13.581
  411    HD1  TYR  55           HD1      TYR  55  -3.336   6.164 -10.581
  412    HD2  TYR  55           HD2      TYR  55  -0.749   6.254 -14.058
  413    HE1  TYR  55           HE1      TYR  55  -2.635   8.420 -10.011
  414    HE2  TYR  55           HE2      TYR  55  -0.067   8.528 -13.461
  415    HH   TYR  55           HH       TYR  55   0.063   9.355 -10.776
  416    HA   PRO  56           HA       PRO  56  -2.719   0.020 -13.969
  417   1HB   PRO  56          1HB       PRO  56  -2.229  -1.764 -12.017
  418   2HB   PRO  56          2HB       PRO  56  -1.046  -0.447 -12.203
  419   1HG   PRO  56          2HG       PRO  56  -3.562  -0.290 -10.443
  420   2HG   PRO  56          1HG       PRO  56  -1.859  -0.266  -9.889
  421   1HD   PRO  56          1HD       PRO  56  -3.081   1.956 -10.347
  422   2HD   PRO  56          2HD       PRO  56  -1.488   1.755 -11.118
  423    H    LYS  57           H        LYS  57  -3.541  -2.090 -13.883
  424    HA   LYS  57           HA       LYS  57  -5.855  -3.085 -13.799
  425   1HB   LYS  57          1HB       LYS  57  -7.515  -2.106 -14.776
  426   2HB   LYS  57          2HB       LYS  57  -6.864  -1.262 -13.366
  427   1HG   LYS  57          1HG       LYS  57  -5.760   0.306 -15.210
  428   2HG   LYS  57          2HG       LYS  57  -6.938  -0.449 -16.319
  429   1HD   LYS  57          1HD       LYS  57  -8.748   0.043 -14.903
  430   2HD   LYS  57          2HD       LYS  57  -7.715   0.561 -13.558
  431   1HE   LYS  57          1HE       LYS  57  -7.691   2.017 -16.230
  432   2HE   LYS  57          2HE       LYS  57  -8.716   2.524 -14.857
  433   1HZ   LYS  57          1HZ       LYS  57  -5.769   2.234 -14.754
  434   2HZ   LYS  57          2HZ       LYS  57  -6.550   3.666 -14.855
  435   3HZ   LYS  57          3HZ       LYS  57  -6.687   2.706 -13.513
  436    H    GLU  58           H        GLU  58  -3.811  -1.525 -15.865
  437    HA   GLU  58           HA       GLU  58  -5.068  -2.056 -18.240
  438   1HB   GLU  58          1HB       GLU  58  -3.545  -0.241 -17.457
  439   2HB   GLU  58          2HB       GLU  58  -2.394  -1.305 -18.321
  440   1HG   GLU  58          1HG       GLU  58  -3.015  -0.012 -20.116
  441   2HG   GLU  58          2HG       GLU  58  -4.236  -1.270 -20.213
  442    H    GLY  59           H        GLY  59  -3.872  -4.095 -16.888
  443   1HA   GLY  59          2HA       GLY  59  -2.143  -5.480 -18.851
  444   2HA   GLY  59          1HA       GLY  59  -3.294  -6.453 -17.863
  445    H    ASP  60           H        ASP  60  -2.604  -3.728 -16.065
  446    HA   ASP  60           HA       ASP  60  -0.044  -4.611 -14.876
  447   1HB   ASP  60          1HB       ASP  60  -1.159  -2.001 -15.712
  448   2HB   ASP  60          2HB       ASP  60  -0.747  -2.005 -14.013
  449    H    ASP  61           H        ASP  61  -0.183  -5.376 -13.225
  450    HA   ASP  61           HA       ASP  61  -2.268  -6.420 -11.818
  451   1HB   ASP  61          1HB       ASP  61  -0.009  -7.296 -11.911
  452   2HB   ASP  61          2HB       ASP  61   0.226  -6.169 -10.587
  453    H    ASP  62           H        ASP  62  -3.883  -5.142 -10.954
  454    HA   ASP  62           HA       ASP  62  -3.154  -2.837  -9.181
  455   1HB   ASP  62          2HB       ASP  62  -5.136  -1.827 -10.308
  456   2HB   ASP  62          1HB       ASP  62  -4.092  -2.528 -11.507
  457    H    SER  63           H        SER  63  -5.055  -5.829  -9.321
  458    HA   SER  63           HA       SER  63  -7.441  -4.935  -8.019
  459   1HB   SER  63          1HB       SER  63  -6.021  -7.599  -7.653
  460   2HB   SER  63          2HB       SER  63  -7.704  -7.284  -7.240
  461    HG   SER  63           HG       SER  63  -6.923  -6.619  -9.847
  462    HA   PRO  64           HA       PRO  64  -6.325  -3.419  -4.155
  463   1HB   PRO  64          2HB       PRO  64  -7.847  -5.641  -2.769
  464   2HB   PRO  64          1HB       PRO  64  -7.744  -3.912  -2.384
  465   1HG   PRO  64          1HG       PRO  64  -9.859  -4.774  -3.841
  466   2HG   PRO  64          2HG       PRO  64  -8.955  -3.354  -4.486
  467   1HD   PRO  64          1HD       PRO  64  -8.549  -6.276  -5.095
  468   2HD   PRO  64          2HD       PRO  64  -8.774  -4.984  -6.311
  469    H    SER  65           H        SER  65  -5.552  -6.490  -4.655
  470    HA   SER  65           HA       SER  65  -3.308  -7.026  -2.894
  471   1HB   SER  65          1HB       SER  65  -3.661  -9.224  -4.056
  472   2HB   SER  65          2HB       SER  65  -4.981  -8.704  -2.938
  473    HG   SER  65           HG       SER  65  -5.679  -9.565  -5.037
  474    H    GLY  66           H        GLY  66  -3.909  -7.170  -6.315
  475   1HA   GLY  66          2HA       GLY  66  -2.710  -7.023  -8.088
  476   2HA   GLY  66          1HA       GLY  66  -1.453  -7.839  -7.267
  477    H    ILE  67           H        ILE  67  -3.029  -4.625  -6.518
  478    HA   ILE  67           HA       ILE  67  -0.714  -3.289  -7.353
  479    HB   ILE  67           HB       ILE  67  -1.480  -1.465  -5.644
  480   1HG1  ILE  67          1HG1      ILE  67  -3.548  -3.511  -5.064
  481   2HG1  ILE  67          2HG1      ILE  67  -2.660  -2.369  -4.207
  482   1HG2  ILE  67          1HG2      ILE  67  -2.080  -1.492  -8.123
  483   2HG2  ILE  67          2HG2      ILE  67  -3.675  -2.088  -7.524
  484   3HG2  ILE  67          3HG2      ILE  67  -3.173  -0.535  -7.083
  485   1HD1  ILE  67          1HD1      ILE  67  -4.150  -0.504  -4.985
  486   2HD1  ILE  67          2HD1      ILE  67  -5.082  -1.678  -5.927
  487   3HD1  ILE  67          3HD1      ILE  67  -5.086  -1.765  -4.194
  488    H    VAL  68           H        VAL  68  -1.472  -4.663  -4.339
  489    HA   VAL  68           HA       VAL  68   0.894  -3.404  -3.028
  490    HB   VAL  68           HB       VAL  68  -0.765  -5.812  -2.122
  491   1HG1  VAL  68          1HG1      VAL  68   1.219  -4.990  -0.695
  492   2HG1  VAL  68          2HG1      VAL  68   0.372  -3.428  -0.552
  493   3HG1  VAL  68          3HG1      VAL  68  -0.344  -4.882   0.147
  494   1HG2  VAL  68          1HG2      VAL  68  -1.585  -2.945  -2.164
  495   2HG2  VAL  68          2HG2      VAL  68  -2.489  -4.388  -2.668
  496   3HG2  VAL  68          3HG2      VAL  68  -2.246  -4.068  -0.958
  497    H    ASN  69           H        ASN  69  -0.047  -5.941  -4.780
  498    HA   ASN  69           HA       ASN  69   2.296  -7.686  -4.804
  499   1HB   ASN  69          1HB       ASN  69  -0.093  -7.614  -5.896
  500   2HB   ASN  69          2HB       ASN  69   1.100  -8.079  -7.096
  501   2HD2  ASN  69          2HD2      ASN  69  -0.833  -9.832  -6.480
  502   1HD2  ASN  69          1HD2      ASN  69  -0.427 -11.025  -5.231
  503    H    THR  70           H        THR  70   1.391  -4.831  -6.763
  504    HA   THR  70           HA       THR  70   3.409  -5.470  -8.477
  505    HB   THR  70           HB       THR  70   2.036  -2.858  -7.800
  506    HG1  THR  70           HG1      THR  70   0.626  -3.981  -9.195
  507   1HG2  THR  70          1HG2      THR  70   4.208  -2.210  -8.900
  508   2HG2  THR  70          2HG2      THR  70   3.814  -3.279 -10.260
  509   3HG2  THR  70          3HG2      THR  70   2.807  -1.858  -9.923
  510    H    VAL  71           H        VAL  71   3.180  -3.618  -5.583
  511    HA   VAL  71           HA       VAL  71   5.859  -2.613  -5.334
  512    HB   VAL  71           HB       VAL  71   3.674  -3.321  -3.248
  513   1HG1  VAL  71          1HG1      VAL  71   6.324  -2.128  -2.900
  514   2HG1  VAL  71          2HG1      VAL  71   5.000  -2.216  -1.681
  515   3HG1  VAL  71          3HG1      VAL  71   5.782  -3.728  -2.272
  516   1HG2  VAL  71          1HG2      VAL  71   4.941  -0.922  -4.556
  517   2HG2  VAL  71          2HG2      VAL  71   3.223  -1.424  -4.462
  518   3HG2  VAL  71          3HG2      VAL  71   4.087  -0.809  -3.015
  519    H    LYS  72           H        LYS  72   4.200  -5.612  -4.393
  520    HA   LYS  72           HA       LYS  72   6.554  -6.803  -3.304
  521   1HB   LYS  72          1HB       LYS  72   3.919  -7.627  -3.901
  522   2HB   LYS  72          2HB       LYS  72   4.931  -8.864  -4.643
  523   1HG   LYS  72          1HG       LYS  72   4.822  -9.471  -2.368
  524   2HG   LYS  72          2HG       LYS  72   6.340  -8.558  -2.418
  525   1HD   LYS  72          1HD       LYS  72   5.477  -7.183  -0.944
  526   2HD   LYS  72          2HD       LYS  72   4.410  -6.524  -2.105
  527   1HE   LYS  72          1HE       LYS  72   3.668  -8.889  -0.392
  528   2HE   LYS  72          2HE       LYS  72   3.000  -7.249  -0.281
  529   1HZ   LYS  72          1HZ       LYS  72   2.587  -9.091  -2.573
  530   2HZ   LYS  72          2HZ       LYS  72   1.542  -8.770  -1.387
  531   3HZ   LYS  72          3HZ       LYS  72   1.973  -7.562  -2.428
  532    H    GLN  73           H        GLN  73   6.281  -6.001  -6.242
  533    HA   GLN  73           HA       GLN  73   8.175  -7.790  -7.233
  534   1HB   GLN  73          1HB       GLN  73   6.234  -6.209  -8.924
  535   2HB   GLN  73          2HB       GLN  73   7.436  -7.362  -9.557
  536   1HG   GLN  73          1HG       GLN  73   6.524  -9.059  -7.918
  537   2HG   GLN  73          2HG       GLN  73   5.390  -8.030  -7.417
  538   2HE2  GLN  73          2HE2      GLN  73   3.437  -8.000  -8.171
  539   1HE2  GLN  73          1HE2      GLN  73   2.880  -8.747  -9.649
  540    H    TRP  74           H        TRP  74   7.561  -4.361  -7.113
  541    HA   TRP  74           HA       TRP  74  10.168  -3.419  -7.899
  542   1HB   TRP  74          1HB       TRP  74   8.192  -2.006  -7.747
  543   2HB   TRP  74          2HB       TRP  74   8.552  -2.041  -6.004
  544    HD1  TRP  74           HD1      TRP  74   9.946  -0.999  -9.324
  545    HE1  TRP  74           HE1      TRP  74  11.994   0.513  -9.155
  546    HE3  TRP  74           HE3      TRP  74  10.268  -0.864  -4.272
  547    HZ2  TRP  74           HZ2      TRP  74  13.397   1.879  -7.027
  548    HZ3  TRP  74           HZ3      TRP  74  11.741   0.730  -3.255
  549    HH2  TRP  74           HH2      TRP  74  13.328   2.128  -4.551
  550    H    ARG  75           H        ARG  75   8.666  -3.700  -4.673
  551    HA   ARG  75           HA       ARG  75  11.130  -3.661  -3.237
  552   1HB   ARG  75          1HB       ARG  75   8.188  -4.536  -2.534
  553   2HB   ARG  75          2HB       ARG  75   9.386  -4.769  -1.376
  554   1HG   ARG  75          1HG       ARG  75   9.834  -2.107  -1.692
  555   2HG   ARG  75          2HG       ARG  75   8.284  -2.137  -2.344
  556   1HD   ARG  75          1HD       ARG  75   9.101  -3.206   0.427
  557   2HD   ARG  75          2HD       ARG  75   8.604  -1.553   0.113
  558    HE   ARG  75           HE       ARG  75   6.525  -2.291  -0.655
  559   1HH1  ARG  75          1HH1      ARG  75   8.177  -4.613   1.548
  560   2HH1  ARG  75          2HH1      ARG  75   6.704  -5.408   1.953
  561   1HH2  ARG  75          1HH2      ARG  75   4.698  -3.561  -0.330
  562   2HH2  ARG  75          2HH2      ARG  75   4.737  -4.877   0.793
  563    H    ALA  76           H        ALA  76  10.142  -6.026  -5.214
  564    HA   ALA  76           HA       ALA  76  11.632  -8.002  -3.606
  565   1HB   ALA  76          1HB       ALA  76   9.673  -8.564  -5.831
  566   2HB   ALA  76          3HB       ALA  76  10.599  -9.808  -4.985
  567   3HB   ALA  76          2HB       ALA  76   9.409  -8.855  -4.079
  568    H    ALA  77           H        ALA  77  11.524  -6.332  -6.448
  569    HA   ALA  77           HA       ALA  77  13.790  -7.845  -7.611
  570   1HB   ALA  77          1HB       ALA  77  11.946  -7.061  -9.146
  571   2HB   ALA  77          3HB       ALA  77  12.280  -5.383  -8.670
  572   3HB   ALA  77          2HB       ALA  77  13.490  -6.290  -9.595
  573    H    ASN  78           H        ASN  78  13.057  -4.744  -6.362
  574    HA   ASN  78           HA       ASN  78  15.786  -3.848  -6.156
  575   1HB   ASN  78          1HB       ASN  78  13.372  -2.562  -6.316
  576   2HB   ASN  78          2HB       ASN  78  13.357  -2.878  -4.650
  577   2HD2  ASN  78          2HD2      ASN  78  14.677  -0.813  -7.128
  578   1HD2  ASN  78          1HD2      ASN  78  15.752   0.098  -6.077
  579    H    GLY  79           H        GLY  79  13.771  -5.899  -4.792
  580   1HA   GLY  79          2HA       GLY  79  15.734  -6.960  -2.956
  581   2HA   GLY  79          1HA       GLY  79  14.081  -7.577  -3.109
  582    H    LYS  80           H        LYS  80  13.245  -4.711  -2.616
  583    HA   LYS  80           HA       LYS  80  14.125  -3.404  -0.499
  584   1HB   LYS  80          1HB       LYS  80  11.277  -3.572  -0.695
  585   2HB   LYS  80          2HB       LYS  80  12.191  -2.327   0.143
  586   1HG   LYS  80          1HG       LYS  80  12.802  -3.008  -2.714
  587   2HG   LYS  80          2HG       LYS  80  11.575  -1.940  -2.446
  588   1HD   LYS  80          1HD       LYS  80  14.180  -1.779  -1.910
  589   2HD   LYS  80          2HD       LYS  80  13.303  -1.130  -3.181
  590   1HE   LYS  80          1HE       LYS  80  12.114   0.325  -1.715
  591   2HE   LYS  80          2HE       LYS  80  12.565  -0.376  -0.406
  592   1HZ   LYS  80          1HZ       LYS  80  15.009   0.437  -0.966
  593   2HZ   LYS  80          2HZ       LYS  80  14.244   1.451  -2.018
  594   3HZ   LYS  80          3HZ       LYS  80  13.954   1.614  -0.497
  595    H    SER  81           H        SER  81  11.753  -5.738  -0.140
  596    HA   SER  81           HA       SER  81  11.097  -7.403   1.335
  597   1HB   SER  81          1HB       SER  81  13.332  -6.824   2.749
  598   2HB   SER  81          2HB       SER  81  12.283  -8.226   2.988
  599    HG   SER  81           HG       SER  81  13.952  -7.604   0.732
  600    H    GLY  82           H        GLY  82  12.006  -6.298   3.933
  601   1HA   GLY  82          2HA       GLY  82  10.967  -3.690   4.152
  602   2HA   GLY  82          1HA       GLY  82  11.554  -4.699   5.537
  603    H    PHE  83           H        PHE  83   9.199  -6.502   4.720
  604    HA   PHE  83           HA       PHE  83   7.280  -5.136   6.453
  605   1HB   PHE  83          1HB       PHE  83   6.991  -7.867   5.089
  606   2HB   PHE  83          2HB       PHE  83   5.937  -7.100   6.078
  607    HD1  PHE  83           HD1      PHE  83   5.009  -4.677   5.608
  608    HD2  PHE  83           HD2      PHE  83   5.868  -8.006   3.076
  609    HE1  PHE  83           HE1      PHE  83   3.590  -3.789   4.024
  610    HE2  PHE  83           HE2      PHE  83   4.376  -7.169   1.397
  611    HZ   PHE  83           HZ       PHE  83   3.077  -5.012   1.832
  612    H    LYS  84           H        LYS  84   6.468  -6.800   7.583
  613    HA   LYS  84           HA       LYS  84   7.777  -8.370   9.604
  614   1HB   LYS  84          1HB       LYS  84   6.481  -6.360  10.069
  615   2HB   LYS  84          2HB       LYS  84   5.178  -7.395   9.566
  616   1HG   LYS  84          1HG       LYS  84   5.301  -8.832  11.355
  617   2HG   LYS  84          2HG       LYS  84   6.992  -8.403  11.727
  618   1HD   LYS  84          1HD       LYS  84   6.443  -6.444  12.751
  619   2HD   LYS  84          2HD       LYS  84   5.014  -6.187  11.742
  620   1HE   LYS  84          1HE       LYS  84   4.289  -6.554  14.036
  621   2HE   LYS  84          2HE       LYS  84   3.697  -7.797  12.930
  622   1HZ   LYS  84          1HZ       LYS  84   5.586  -9.197  13.688
  623   2HZ   LYS  84          2HZ       LYS  84   5.837  -8.126  14.938
  624   3HZ   LYS  84          3HZ       LYS  84   4.428  -9.015  14.704
  625    H    GLN  85           H        GLN  85   5.988  -9.849  10.025
  626    HA   GLN  85           HA       GLN  85   5.223 -11.632   7.768
  627   1HB   GLN  85          1HB       GLN  85   7.440 -12.149   8.819
  628   2HB   GLN  85          2HB       GLN  85   6.196 -13.321   9.360
  629   1HG   GLN  85          1HG       GLN  85   6.576 -12.669   6.477
  630   2HG   GLN  85          2HG       GLN  85   7.594 -13.857   7.289
  631   2HE2  GLN  85          2HE2      GLN  85   3.904 -13.350   7.634
  632   1HE2  GLN  85          1HE2      GLN  85   3.651 -14.995   7.111
  633    H    GLY  86           H        GLY  86   5.521 -11.663  11.176
  634   1HA   GLY  86          2HA       GLY  86   3.454 -12.898  12.346
  635   2HA   GLY  86          1HA       GLY  86   2.756 -11.358  11.761

  No H/Q in entry =         635
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -7.455   3.791  14.187
    2    H2   MET   1           H2       MET   1  -8.989   3.360  13.654
    3    H3   MET   1           H3       MET   1  -7.724   2.288  13.655
    4    HA   MET   1           HA       MET   1  -8.051   2.939  11.475
    5   1HB   MET   1          1HB       MET   1  -8.866   5.398  12.355
    6   2HB   MET   1          2HB       MET   1  -7.183   5.778  11.938
    7   1HG   MET   1          1HG       MET   1  -8.683   6.081  10.013
    8   2HG   MET   1          2HG       MET   1  -7.493   4.810   9.710
    9   1HE   MET   1          1HE       MET   1  -8.960   4.193   7.624
   10   2HE   MET   1          2HE       MET   1  -8.226   2.782   8.410
   11   3HE   MET   1          3HE       MET   1  -9.902   2.694   7.833
   12    H    GLU   2           H        GLU   2  -6.258   1.954  10.771
   13    HA   GLU   2           HA       GLU   2  -3.838   2.440  12.397
   14   1HB   GLU   2          1HB       GLU   2  -5.072  -0.045  11.200
   15   2HB   GLU   2          2HB       GLU   2  -3.388   0.024  11.723
   16   1HG   GLU   2          1HG       GLU   2  -4.823  -0.904  13.484
   17   2HG   GLU   2          2HG       GLU   2  -3.987   0.549  13.991
   18    H    LEU   3           H        LEU   3  -1.720   1.984  11.166
   19    HA   LEU   3           HA       LEU   3  -1.456   2.871   8.654
   20   1HB   LEU   3          1HB       LEU   3  -1.529   4.840  11.008
   21   2HB   LEU   3          2HB       LEU   3  -0.354   5.112   9.720
   22    HG   LEU   3           HG       LEU   3  -3.349   4.988   9.278
   23   1HD1  LEU   3          1HD1      LEU   3  -2.642   6.984  10.593
   24   2HD1  LEU   3          2HD1      LEU   3  -1.415   7.364   9.352
   25   3HD1  LEU   3          3HD1      LEU   3  -3.146   7.425   8.956
   26   1HD2  LEU   3          1HD2      LEU   3  -1.061   5.929   7.507
   27   2HD2  LEU   3          2HD2      LEU   3  -2.007   4.427   7.265
   28   3HD2  LEU   3          3HD2      LEU   3  -2.774   6.013   7.097
   29    H    LYS   4           H        LYS   4   1.110   4.023  10.011
   30    HA   LYS   4           HA       LYS   4   2.243   2.360  11.976
   31   1HB   LYS   4          1HB       LYS   4   2.134   0.993   9.480
   32   2HB   LYS   4          2HB       LYS   4   3.714   1.571   9.682
   33   1HG   LYS   4          2HG       LYS   4   3.632  -0.553  10.768
   34   2HG   LYS   4          1HG       LYS   4   3.695   0.679  12.050
   35   1HD   LYS   4          1HD       LYS   4   1.252   0.488  12.345
   36   2HD   LYS   4          2HD       LYS   4   1.239  -0.809  11.124
   37   1HE   LYS   4          1HE       LYS   4   3.021  -1.813  12.798
   38   2HE   LYS   4          2HE       LYS   4   2.227  -0.737  13.950
   39   1HZ   LYS   4          1HZ       LYS   4   0.114  -1.854  13.294
   40   2HZ   LYS   4          2HZ       LYS   4   0.922  -2.844  12.288
   41   3HZ   LYS   4          3HZ       LYS   4   1.204  -2.963  13.875
   42    H    HIS   5           H        HIS   5   4.595   2.424  11.220
   43    HA   HIS   5           HA       HIS   5   5.394   5.195  11.010
   44   1HB   HIS   5          2HB       HIS   5   7.048   3.300  12.630
   45   2HB   HIS   5          1HB       HIS   5   6.687   4.973  12.893
   46    HD1  HIS   5           HD1      HIS   5   4.087   5.333  14.142
   47    HD2  HIS   5           HD2      HIS   5   5.531   1.512  13.364
   48    HE1  HIS   5           HE1      HIS   5   2.407   3.733  15.235
   49    H    SER   6           H        SER   6   5.902   2.038  10.267
   50    HA   SER   6           HA       SER   6   8.057   2.535   8.481
   51   1HB   SER   6          2HB       SER   6   7.462   0.113   9.971
   52   2HB   SER   6          1HB       SER   6   8.787   0.650   9.143
   53    HG   SER   6           HG       SER   6   8.342   0.988  11.818
   54    H    ILE   7           H        ILE   7   8.103   1.037   6.904
   55    HA   ILE   7           HA       ILE   7   5.710  -0.392   6.085
   56    HB   ILE   7           HB       ILE   7   6.694   0.225   4.151
   57   1HG1  ILE   7          1HG1      ILE   7   8.702  -1.906   3.863
   58   2HG1  ILE   7          2HG1      ILE   7   7.256  -2.592   4.532
   59   1HG2  ILE   7          1HG2      ILE   7   8.566   1.455   4.876
   60   2HG2  ILE   7          2HG2      ILE   7   9.516  -0.056   5.139
   61   3HG2  ILE   7          3HG2      ILE   7   8.974   0.430   3.523
   62   1HD1  ILE   7          1HD1      ILE   7   5.853  -1.520   2.977
   63   2HD1  ILE   7          2HD1      ILE   7   7.313  -0.839   2.179
   64   3HD1  ILE   7          3HD1      ILE   7   7.066  -2.625   2.252
   65    H    SER   8           H        SER   8   7.957  -0.875   8.540
   66    HA   SER   8           HA       SER   8   7.916  -3.753   8.222
   67   1HB   SER   8          1HB       SER   8   9.781  -3.595   8.028
   68   2HB   SER   8          2HB       SER   8   9.736  -1.940   8.117
   69    HG   SER   8           HG       SER   8  10.063  -3.568  10.414
   70    H    ASP   9           H        ASP   9   6.745  -1.232  10.285
   71    HA   ASP   9           HA       ASP   9   6.566  -3.076  12.549
   72   1HB   ASP   9          1HB       ASP   9   5.551  -0.296  11.864
   73   2HB   ASP   9          2HB       ASP   9   4.813  -1.147  13.216
   74    H    TYR  10           H        TYR  10   5.288  -2.941   9.422
   75    HA   TYR  10           HA       TYR  10   2.869  -4.317  10.363
   76   1HB   TYR  10          1HB       TYR  10   1.404  -3.233   8.951
   77   2HB   TYR  10          2HB       TYR  10   2.329  -2.006   9.682
   78    HD1  TYR  10           HD1      TYR  10   4.336  -3.220   7.043
   79    HD2  TYR  10           HD2      TYR  10   0.787  -0.919   7.747
   80    HE1  TYR  10           HE1      TYR  10   4.731  -2.145   4.978
   81    HE2  TYR  10           HE2      TYR  10   1.210   0.233   5.582
   82    HH   TYR  10           HH       TYR  10   2.811   0.280   3.547
   83    H    THR  11           H        THR  11   2.231  -6.153   9.034
   84    HA   THR  11           HA       THR  11   4.562  -7.256   7.566
   85    HB   THR  11           HB       THR  11   3.867  -9.140   8.118
   86    HG1  THR  11           HG1      THR  11   1.880 -10.077   7.490
   87   1HG2  THR  11          1HG2      THR  11   2.844  -8.289  10.166
   88   2HG2  THR  11          2HG2      THR  11   1.291  -8.076   9.340
   89   3HG2  THR  11          3HG2      THR  11   1.945  -9.675   9.592
   90    H    GLU  12           H        GLU  12   3.989  -8.384   5.494
   91    HA   GLU  12           HA       GLU  12   3.420  -6.378   3.546
   92   1HB   GLU  12          1HB       GLU  12   5.033  -8.413   3.556
   93   2HB   GLU  12          2HB       GLU  12   3.579  -9.410   3.375
   94   1HG   GLU  12          1HG       GLU  12   3.098  -7.663   1.440
   95   2HG   GLU  12          2HG       GLU  12   4.765  -7.394   1.453
   96    H    ALA  13           H        ALA  13   1.473  -8.554   5.276
   97    HA   ALA  13           HA       ALA  13  -0.794  -8.530   3.311
   98   1HB   ALA  13          1HB       ALA  13  -0.299 -10.713   4.399
   99   2HB   ALA  13          3HB       ALA  13  -0.517  -9.959   6.000
  100   3HB   ALA  13          2HB       ALA  13  -1.889 -10.084   4.880
  101    H    GLU  14           H        GLU  14   0.408  -7.233   6.302
  102    HA   GLU  14           HA       GLU  14  -1.899  -5.956   7.322
  103   1HB   GLU  14          1HB       GLU  14   0.689  -6.423   8.070
  104   2HB   GLU  14          2HB       GLU  14   0.853  -4.753   7.549
  105   1HG   GLU  14          1HG       GLU  14  -0.699  -3.966   9.005
  106   2HG   GLU  14          2HG       GLU  14  -1.310  -5.624   9.388
  107    H    PHE  15           H        PHE  15   0.654  -4.945   5.058
  108    HA   PHE  15           HA       PHE  15  -0.593  -2.352   4.461
  109   1HB   PHE  15          1HB       PHE  15   1.865  -3.086   4.283
  110   2HB   PHE  15          2HB       PHE  15   1.438  -3.985   2.850
  111    HD1  PHE  15           HD1      PHE  15   0.119  -0.547   3.681
  112    HD2  PHE  15           HD2      PHE  15   2.816  -2.860   1.282
  113    HE1  PHE  15           HE1      PHE  15   0.937   1.522   2.627
  114    HE2  PHE  15           HE2      PHE  15   3.678  -0.774   0.242
  115    HZ   PHE  15           HZ       PHE  15   2.786   1.419   0.957
  116    H    LEU  16           H        LEU  16  -0.809  -5.695   3.147
  117    HA   LEU  16           HA       LEU  16  -1.949  -4.799   0.647
  118   1HB   LEU  16          1HB       LEU  16  -0.965  -7.023   1.093
  119   2HB   LEU  16          2HB       LEU  16  -2.275  -7.381   2.205
  120    HG   LEU  16           HG       LEU  16  -3.845  -7.727   0.618
  121   1HD1  LEU  16          1HD1      LEU  16  -3.530  -5.610  -0.757
  122   2HD1  LEU  16          2HD1      LEU  16  -2.258  -6.477  -1.634
  123   3HD1  LEU  16          3HD1      LEU  16  -3.946  -7.052  -1.609
  124   1HD2  LEU  16          1HD2      LEU  16  -1.955  -9.414   0.362
  125   2HD2  LEU  16          2HD2      LEU  16  -2.801  -9.178  -1.171
  126   3HD2  LEU  16          3HD2      LEU  16  -1.219  -8.409  -0.901
  127    H    GLN  17           H        GLN  17  -3.182  -5.492   3.873
  128    HA   GLN  17           HA       GLN  17  -5.757  -5.304   3.217
  129   1HB   GLN  17          1HB       GLN  17  -5.222  -6.521   5.206
  130   2HB   GLN  17          2HB       GLN  17  -4.143  -5.233   5.796
  131   1HG   GLN  17          1HG       GLN  17  -5.892  -3.798   6.298
  132   2HG   GLN  17          2HG       GLN  17  -7.090  -4.851   5.491
  133   2HE2  GLN  17          2HE2      GLN  17  -7.570  -3.892   8.058
  134   1HE2  GLN  17          1HE2      GLN  17  -7.416  -5.219   9.205
  135    H    LEU  18           H        LEU  18  -3.209  -3.116   4.116
  136    HA   LEU  18           HA       LEU  18  -4.851  -0.967   4.935
  137   1HB   LEU  18          1HB       LEU  18  -2.354  -1.275   5.362
  138   2HB   LEU  18          2HB       LEU  18  -2.086  -0.836   3.672
  139    HG   LEU  18           HG       LEU  18  -3.627   1.228   4.492
  140   1HD1  LEU  18          1HD1      LEU  18  -3.634   0.508   6.851
  141   2HD1  LEU  18          2HD1      LEU  18  -1.856   0.554   6.878
  142   3HD1  LEU  18          3HD1      LEU  18  -2.794   2.047   6.674
  143   1HD2  LEU  18          1HD2      LEU  18  -1.534   1.328   3.206
  144   2HD2  LEU  18          2HD2      LEU  18  -1.725   2.614   4.393
  145   3HD2  LEU  18          3HD2      LEU  18  -0.637   1.250   4.752
  146    H    VAL  19           H        VAL  19  -3.467  -1.997   1.911
  147    HA   VAL  19           HA       VAL  19  -4.083   0.181  -0.099
  148    HB   VAL  19           HB       VAL  19  -3.576  -2.762  -0.229
  149   1HG1  VAL  19          1HG1      VAL  19  -4.061  -0.570  -2.288
  150   2HG1  VAL  19          2HG1      VAL  19  -3.375  -2.169  -2.603
  151   3HG1  VAL  19          3HG1      VAL  19  -5.022  -2.056  -2.058
  152   1HG2  VAL  19          1HG2      VAL  19  -1.948  -0.496   0.328
  153   2HG2  VAL  19          2HG2      VAL  19  -1.418  -2.070  -0.196
  154   3HG2  VAL  19          3HG2      VAL  19  -1.764  -0.796  -1.401
  155    H    THR  20           H        THR  20  -5.645  -2.906   1.288
  156    HA   THR  20           HA       THR  20  -7.996  -2.667  -0.321
  157    HB   THR  20           HB       THR  20  -6.710  -4.739   0.998
  158    HG1  THR  20           HG1      THR  20  -9.338  -4.634  -0.020
  159   1HG2  THR  20          1HG2      THR  20  -7.878  -4.338   3.164
  160   2HG2  THR  20          2HG2      THR  20  -9.402  -4.624   2.341
  161   3HG2  THR  20          3HG2      THR  20  -8.143  -5.896   2.419
  162    H    THR  21           H        THR  21  -7.222  -1.385   2.888
  163    HA   THR  21           HA       THR  21  -9.842  -0.554   3.744
  164    HB   THR  21           HB       THR  21  -7.017  -0.270   4.398
  165    HG1  THR  21           HG1      THR  21  -9.326  -0.404   6.015
  166   1HG2  THR  21          1HG2      THR  21  -8.683   2.219   4.874
  167   2HG2  THR  21          2HG2      THR  21  -7.132   1.836   5.657
  168   3HG2  THR  21          3HG2      THR  21  -7.212   2.072   3.923
  169    H    ILE  22           H        ILE  22  -7.538   0.552   1.338
  170    HA   ILE  22           HA       ILE  22  -8.796   3.199   1.004
  171    HB   ILE  22           HB       ILE  22  -6.716   2.165  -0.927
  172   1HG1  ILE  22          1HG1      ILE  22  -6.227   2.725   1.983
  173   2HG1  ILE  22          2HG1      ILE  22  -5.550   1.515   0.869
  174   1HG2  ILE  22          1HG2      ILE  22  -7.855   4.389  -1.148
  175   2HG2  ILE  22          2HG2      ILE  22  -7.044   4.881   0.374
  176   3HG2  ILE  22          3HG2      ILE  22  -6.100   4.422  -1.067
  177   1HD1  ILE  22          1HD1      ILE  22  -4.172   3.210  -0.181
  178   2HD1  ILE  22          2HD1      ILE  22  -4.869   4.400   0.944
  179   3HD1  ILE  22          3HD1      ILE  22  -3.886   3.068   1.583
  180    H    CYS  23           H        CYS  23  -8.218   0.215  -0.858
  181    HA   CYS  23           HA       CYS  23 -10.196   0.777  -2.873
  182   1HB   CYS  23          2HB       CYS  23  -9.240  -2.062  -2.122
  183   2HB   CYS  23          1HB       CYS  23  -9.998  -1.482  -3.566
  184    H    ASN  24           H        ASN  24 -10.460   0.241   0.547
  185    HA   ASN  24           HA       ASN  24 -13.333  -0.580   0.089
  186   1HB   ASN  24          1HB       ASN  24 -11.504  -0.822   2.379
  187   2HB   ASN  24          2HB       ASN  24 -12.994  -0.022   2.738
  188   2HD2  ASN  24          2HD2      ASN  24 -13.286  -1.839   4.305
  189   1HD2  ASN  24          1HD2      ASN  24 -14.024  -3.265   3.609
  190    H    ALA  25           H        ALA  25 -11.408   2.208   1.316
  191    HA   ALA  25           HA       ALA  25 -11.956   4.365   1.960
  192   1HB   ALA  25          1HB       ALA  25 -14.603   3.824   0.454
  193   2HB   ALA  25          3HB       ALA  25 -14.184   5.340   1.200
  194   3HB   ALA  25          2HB       ALA  25 -13.196   4.717  -0.144
  195    H    ASP  26           H        ASP  26 -12.075   2.063   3.281
  196    HA   ASP  26           HA       ASP  26 -13.777   1.298   5.278
  197   1HB   ASP  26          1HB       ASP  26 -11.752   0.548   4.198
  198   2HB   ASP  26          2HB       ASP  26 -10.836   1.443   5.322
  199    H    THR  27           H        THR  27 -12.929   4.178   4.931
  200    HA   THR  27           HA       THR  27 -11.612   4.984   7.462
  201    HB   THR  27           HB       THR  27 -10.383   6.401   6.253
  202    HG1  THR  27           HG1      THR  27 -12.194   6.164   4.100
  203   1HG2  THR  27          1HG2      THR  27  -9.787   4.084   5.595
  204   2HG2  THR  27          2HG2      THR  27 -10.790   4.247   4.145
  205   3HG2  THR  27          3HG2      THR  27  -9.398   5.289   4.360
  206    H    SER  28           H        SER  28 -11.510   7.593   7.466
  207    HA   SER  28           HA       SER  28 -13.908   8.618   8.492
  208   1HB   SER  28          1HB       SER  28 -12.717  10.794   8.098
  209   2HB   SER  28          2HB       SER  28 -11.805   9.532   9.010
  210    HG   SER  28           HG       SER  28 -10.524  10.582   7.514
  211    H    SER  29           H        SER  29 -12.776   8.220   5.386
  212    HA   SER  29           HA       SER  29 -14.522   7.467   3.876
  213   1HB   SER  29          1HB       SER  29 -15.943   9.609   4.630
  214   2HB   SER  29          2HB       SER  29 -16.499   8.484   3.419
  215    HG   SER  29           HG       SER  29 -15.779   7.292   5.827
  216    H    GLU  30           H        GLU  30 -12.667   9.991   3.893
  217    HA   GLU  30           HA       GLU  30 -12.481   9.738   1.202
  218   1HB   GLU  30          1HB       GLU  30 -14.380  11.488   1.239
  219   2HB   GLU  30          2HB       GLU  30 -13.295  12.585   2.073
  220   1HG   GLU  30          1HG       GLU  30 -11.921  12.776   0.003
  221   2HG   GLU  30          2HG       GLU  30 -13.009  11.641  -0.808
  222    H    GLU  31           H        GLU  31 -11.419  10.805   4.042
  223    HA   GLU  31           HA       GLU  31  -9.282  12.435   3.380
  224   1HB   GLU  31          1HB       GLU  31 -11.253  12.602   4.819
  225   2HB   GLU  31          2HB       GLU  31 -10.486  11.450   5.525
  226   1HG   GLU  31          1HG       GLU  31  -8.806  13.784   5.404
  227   2HG   GLU  31          2HG       GLU  31 -10.292  13.908   6.409
  228    H    GLU  32           H        GLU  32  -9.631  10.222   5.682
  229    HA   GLU  32           HA       GLU  32  -7.086   9.058   6.232
  230   1HB   GLU  32          1HB       GLU  32  -9.735   8.178   6.201
  231   2HB   GLU  32          2HB       GLU  32  -8.440   6.942   6.316
  232   1HG   GLU  32          1HG       GLU  32  -8.499   9.396   7.964
  233   2HG   GLU  32          2HG       GLU  32  -9.384   7.997   8.456
  234    H    LEU  33           H        LEU  33  -9.445   8.632   3.564
  235    HA   LEU  33           HA       LEU  33  -8.147   6.565   2.206
  236   1HB   LEU  33          1HB       LEU  33 -10.083   8.760   1.548
  237   2HB   LEU  33          2HB       LEU  33  -9.397   7.918   0.177
  238    HG   LEU  33           HG       LEU  33 -10.215   6.214   2.522
  239   1HD1  LEU  33          1HD1      LEU  33 -11.934   7.940   2.373
  240   2HD1  LEU  33          2HD1      LEU  33 -12.324   7.456   0.700
  241   3HD1  LEU  33          3HD1      LEU  33 -12.569   6.370   2.092
  242   1HD2  LEU  33          1HD2      LEU  33  -9.208   5.625   0.137
  243   2HD2  LEU  33          2HD2      LEU  33 -10.532   4.631   0.641
  244   3HD2  LEU  33          3HD2      LEU  33 -10.814   5.951  -0.499
  245    H    VAL  34           H        VAL  34  -7.960  10.095   1.459
  246    HA   VAL  34           HA       VAL  34  -5.826  10.037  -0.386
  247    HB   VAL  34           HB       VAL  34  -7.039  11.957   1.374
  248   1HG1  VAL  34          1HG1      VAL  34  -4.709  12.612  -0.470
  249   2HG1  VAL  34          2HG1      VAL  34  -5.782  13.832   0.259
  250   3HG1  VAL  34          3HG1      VAL  34  -4.752  12.836   1.291
  251   1HG2  VAL  34          1HG2      VAL  34  -8.243  11.256  -0.634
  252   2HG2  VAL  34          2HG2      VAL  34  -7.819  12.970  -0.709
  253   3HG2  VAL  34          3HG2      VAL  34  -6.866  11.779  -1.635
  254    H    LYS  35           H        LYS  35  -5.960   9.777   3.058
  255    HA   LYS  35           HA       LYS  35  -3.121  10.461   3.576
  256   1HB   LYS  35          1HB       LYS  35  -4.640  11.479   4.946
  257   2HB   LYS  35          2HB       LYS  35  -5.590  10.008   5.166
  258   1HG   LYS  35          1HG       LYS  35  -3.938   8.934   6.323
  259   2HG   LYS  35          2HG       LYS  35  -2.771  10.245   6.126
  260   1HD   LYS  35          1HD       LYS  35  -3.440  10.847   8.164
  261   2HD   LYS  35          2HD       LYS  35  -4.704  11.689   7.195
  262   1HE   LYS  35          1HE       LYS  35  -5.820   9.268   7.510
  263   2HE   LYS  35          2HE       LYS  35  -4.868   9.264   8.964
  264   1HZ   LYS  35          1HZ       LYS  35  -5.988  11.374   9.568
  265   2HZ   LYS  35          2HZ       LYS  35  -6.925  11.290   8.225
  266   3HZ   LYS  35          3HZ       LYS  35  -7.010  10.095   9.376
  267    H    LEU  36           H        LEU  36  -5.123   7.443   3.305
  268    HA   LEU  36           HA       LEU  36  -3.023   5.782   4.173
  269   1HB   LEU  36          1HB       LEU  36  -5.892   5.680   3.074
  270   2HB   LEU  36          2HB       LEU  36  -5.026   4.189   3.305
  271    HG   LEU  36           HG       LEU  36  -5.131   6.204   5.523
  272   1HD1  LEU  36          1HD1      LEU  36  -7.394   5.641   4.955
  273   2HD1  LEU  36          2HD1      LEU  36  -7.027   3.950   5.103
  274   3HD1  LEU  36          3HD1      LEU  36  -6.929   4.994   6.548
  275   1HD2  LEU  36          1HD2      LEU  36  -3.450   4.299   5.610
  276   2HD2  LEU  36          2HD2      LEU  36  -4.589   4.384   6.972
  277   3HD2  LEU  36          3HD2      LEU  36  -4.825   3.187   5.678
  278    H    VAL  37           H        VAL  37  -4.402   7.242   1.271
  279    HA   VAL  37           HA       VAL  37  -2.928   5.759  -0.595
  280    HB   VAL  37           HB       VAL  37  -4.274   8.445  -0.537
  281   1HG1  VAL  37          1HG1      VAL  37  -2.444   7.722  -2.824
  282   2HG1  VAL  37          2HG1      VAL  37  -3.666   9.022  -2.828
  283   3HG1  VAL  37          3HG1      VAL  37  -2.293   9.126  -1.737
  284   1HG2  VAL  37          1HG2      VAL  37  -4.461   6.108  -2.442
  285   2HG2  VAL  37          2HG2      VAL  37  -5.568   6.503  -1.101
  286   3HG2  VAL  37          3HG2      VAL  37  -5.463   7.590  -2.484
  287    H    THR  38           H        THR  38  -2.196   8.872   1.121
  288    HA   THR  38           HA       THR  38   0.380   9.044   0.116
  289    HB   THR  38           HB       THR  38  -1.228  10.512   1.594
  290    HG1  THR  38           HG1      THR  38   0.479  10.923  -0.257
  291   1HG2  THR  38          1HG2      THR  38   0.025  10.059   3.690
  292   2HG2  THR  38          2HG2      THR  38   1.541  10.503   2.867
  293   3HG2  THR  38          3HG2      THR  38   0.303  11.735   3.169
  294    H    HIS  39           H        HIS  39  -0.770   7.606   3.239
  295    HA   HIS  39           HA       HIS  39   1.732   6.735   4.162
  296   1HB   HIS  39          1HB       HIS  39  -0.728   6.520   5.165
  297   2HB   HIS  39          2HB       HIS  39  -0.648   5.028   4.262
  298    HD1  HIS  39           HD1      HIS  39   2.196   6.590   6.373
  299    HD2  HIS  39           HD2      HIS  39  -0.352   3.236   6.141
  300    HE1  HIS  39           HE1      HIS  39   2.775   5.118   8.347
  301    H    PHE  40           H        PHE  40  -0.244   5.539   1.454
  302    HA   PHE  40           HA       PHE  40   1.361   3.126   1.231
  303   1HB   PHE  40          1HB       PHE  40  -0.966   3.246   0.294
  304   2HB   PHE  40          2HB       PHE  40  -0.353   4.323  -0.969
  305    HD1  PHE  40           HD1      PHE  40   1.516   3.554  -2.499
  306    HD2  PHE  40           HD2      PHE  40  -0.323   0.941   0.356
  307    HE1  PHE  40           HE1      PHE  40   2.389   1.624  -3.700
  308    HE2  PHE  40           HE2      PHE  40   0.574  -1.036  -0.863
  309    HZ   PHE  40           HZ       PHE  40   1.828  -0.723  -2.953
  310    H    GLU  41           H        GLU  41   1.197   6.268  -0.505
  311    HA   GLU  41           HA       GLU  41   3.318   5.997  -2.239
  312   1HB   GLU  41          1HB       GLU  41   2.673   8.355  -0.837
  313   2HB   GLU  41          2HB       GLU  41   3.572   8.284  -2.353
  314   1HG   GLU  41          1HG       GLU  41   1.561   7.617  -3.523
  315   2HG   GLU  41          2HG       GLU  41   0.626   7.651  -2.040
  316    H    GLU  42           H        GLU  42   3.441   6.881   1.103
  317    HA   GLU  42           HA       GLU  42   6.115   7.629   1.362
  318   1HB   GLU  42          1HB       GLU  42   4.140   8.161   2.731
  319   2HB   GLU  42          2HB       GLU  42   4.600   6.628   3.338
  320   1HG   GLU  42          1HG       GLU  42   6.061   9.169   3.646
  321   2HG   GLU  42          2HG       GLU  42   5.314   8.134   4.875
  322    H    MET  43           H        MET  43   4.357   4.883   2.489
  323    HA   MET  43           HA       MET  43   6.778   3.705   3.298
  324   1HB   MET  43          1HB       MET  43   4.314   4.188   4.353
  325   2HB   MET  43          2HB       MET  43   4.331   2.437   4.182
  326   1HG   MET  43          1HG       MET  43   6.360   2.374   5.519
  327   2HG   MET  43          2HG       MET  43   6.532   4.121   5.472
  328   1HE   MET  43          1HE       MET  43   4.140   1.300   6.423
  329   2HE   MET  43          2HE       MET  43   3.057   2.028   7.627
  330   3HE   MET  43          3HE       MET  43   2.964   2.545   5.940
  331    H    THR  44           H        THR  44   6.637   3.412   0.785
  332    HA   THR  44           HA       THR  44   6.844   0.440   0.532
  333    HB   THR  44           HB       THR  44   4.740   1.211  -0.327
  334    HG1  THR  44           HG1      THR  44   4.840   0.491  -2.369
  335   1HG2  THR  44          1HG2      THR  44   5.393   3.567  -0.768
  336   2HG2  THR  44          2HG2      THR  44   6.408   3.081  -2.054
  337   3HG2  THR  44          3HG2      THR  44   4.622   2.841  -2.178
  338    H    GLU  45           H        GLU  45   8.195   3.580   0.273
  339    HA   GLU  45           HA       GLU  45  10.146   4.426  -0.820
  340   1HB   GLU  45          1HB       GLU  45  10.950   1.634  -0.358
  341   2HB   GLU  45          2HB       GLU  45  12.076   2.985  -0.605
  342   1HG   GLU  45          1HG       GLU  45  11.856   3.627   1.647
  343   2HG   GLU  45          2HG       GLU  45  10.352   2.690   1.854
  344    H    HIS  46           H        HIS  46   8.136   3.722  -2.725
  345    HA   HIS  46           HA       HIS  46   9.586   1.980  -4.643
  346   1HB   HIS  46          1HB       HIS  46   7.761   0.901  -3.399
  347   2HB   HIS  46          2HB       HIS  46   6.667   2.202  -3.906
  348    HD1  HIS  46           HD1      HIS  46   5.348   1.945  -5.924
  349    HD2  HIS  46           HD2      HIS  46   8.333  -0.929  -5.451
  350    HE1  HIS  46           HE1      HIS  46   4.872   0.220  -7.685
  351    HA   PRO  47           HA       PRO  47   8.974   4.414  -8.313
  352   1HB   PRO  47          2HB       PRO  47   7.256   2.093  -9.163
  353   2HB   PRO  47          1HB       PRO  47   8.555   2.931 -10.051
  354   1HG   PRO  47          1HG       PRO  47   8.744   0.512  -8.458
  355   2HG   PRO  47          2HG       PRO  47  10.144   1.461  -9.026
  356   1HD   PRO  47          1HD       PRO  47   9.328   1.027  -6.511
  357   2HD   PRO  47          2HD       PRO  47  10.539   2.172  -7.071
  358    H    SER  48           H        SER  48   5.805   2.773  -7.540
  359    HA   SER  48           HA       SER  48   4.540   4.951  -9.008
  360   1HB   SER  48          1HB       SER  48   4.103   2.053  -9.111
  361   2HB   SER  48          2HB       SER  48   3.124   3.257  -9.984
  362    HG   SER  48           HG       SER  48   5.003   3.908 -11.018
  363    H    GLY  49           H        GLY  49   4.717   5.239  -6.488
  364   1HA   GLY  49          2HA       GLY  49   3.368   6.658  -4.999
  365   2HA   GLY  49          1HA       GLY  49   3.284   5.025  -4.339
  366    H    SER  50           H        SER  50   1.679   7.098  -6.702
  367    HA   SER  50           HA       SER  50  -1.022   6.318  -5.576
  368   1HB   SER  50          1HB       SER  50   0.049   8.945  -6.663
  369   2HB   SER  50          2HB       SER  50  -1.687   8.593  -6.657
  370    HG   SER  50           HG       SER  50  -0.059   9.260  -4.573
  371    H    ASP  51           H        ASP  51   0.652   5.015  -7.924
  372    HA   ASP  51           HA       ASP  51  -0.809   5.748 -10.297
  373   1HB   ASP  51          2HB       ASP  51   2.143   5.139 -10.069
  374   2HB   ASP  51          1HB       ASP  51   1.293   5.871 -11.390
  375    H    LEU  52           H        LEU  52   0.549   3.498  -7.838
  376    HA   LEU  52           HA       LEU  52  -0.303   1.172  -9.465
  377   1HB   LEU  52          2HB       LEU  52   1.481   0.191  -8.401
  378   2HB   LEU  52          1HB       LEU  52   2.157   1.831  -8.559
  379    HG   LEU  52           HG       LEU  52   1.125   1.715  -5.967
  380   1HD1  LEU  52          1HD1      LEU  52   1.159  -0.709  -6.477
  381   2HD1  LEU  52          2HD1      LEU  52   2.932  -0.546  -6.680
  382   3HD1  LEU  52          3HD1      LEU  52   2.127  -0.183  -5.095
  383   1HD2  LEU  52          1HD2      LEU  52   3.780   2.046  -6.971
  384   2HD2  LEU  52          2HD2      LEU  52   2.892   2.834  -5.621
  385   3HD2  LEU  52          3HD2      LEU  52   3.658   1.318  -5.348
  386    H    ILE  53           H        ILE  53  -1.845   3.265  -7.990
  387    HA   ILE  53           HA       ILE  53  -2.989   1.346  -6.066
  388    HB   ILE  53           HB       ILE  53  -2.556   4.266  -5.798
  389   1HG1  ILE  53          2HG1      ILE  53  -0.679   2.602  -5.130
  390   2HG1  ILE  53          1HG1      ILE  53  -1.425   3.392  -3.756
  391   1HG2  ILE  53          1HG2      ILE  53  -4.375   2.329  -4.307
  392   2HG2  ILE  53          2HG2      ILE  53  -3.838   3.927  -3.675
  393   3HG2  ILE  53          3HG2      ILE  53  -4.787   3.768  -5.181
  394   1HD1  ILE  53          1HD1      ILE  53  -2.735   1.514  -3.301
  395   2HD1  ILE  53          2HD1      ILE  53  -1.887   0.659  -4.632
  396   3HD1  ILE  53          3HD1      ILE  53  -0.958   1.288  -3.283
  397    H    TYR  54           H        TYR  54  -3.458   3.497  -8.812
  398    HA   TYR  54           HA       TYR  54  -6.132   2.242  -9.187
  399   1HB   TYR  54          2HB       TYR  54  -5.477   5.166  -9.462
  400   2HB   TYR  54          1HB       TYR  54  -7.066   4.399  -9.543
  401    HD1  TYR  54           HD1      TYR  54  -7.336   2.807  -7.085
  402    HD2  TYR  54           HD2      TYR  54  -4.968   6.371  -7.491
  403    HE1  TYR  54           HE1      TYR  54  -7.952   3.433  -4.805
  404    HE2  TYR  54           HE2      TYR  54  -5.206   6.714  -5.059
  405    HH   TYR  54           HH       TYR  54  -6.432   6.170  -3.138
  406    H    TYR  55           H        TYR  55  -3.295   3.801 -10.781
  407    HA   TYR  55           HA       TYR  55  -4.563   4.059 -13.344
  408   1HB   TYR  55          1HB       TYR  55  -1.588   3.848 -12.886
  409   2HB   TYR  55          2HB       TYR  55  -2.418   4.500 -14.267
  410    HD1  TYR  55           HD1      TYR  55  -4.075   6.077 -11.486
  411    HD2  TYR  55           HD2      TYR  55  -0.343   5.933 -13.671
  412    HE1  TYR  55           HE1      TYR  55  -3.348   8.184 -10.421
  413    HE2  TYR  55           HE2      TYR  55   0.328   8.078 -12.658
  414    HH   TYR  55           HH       TYR  55  -0.056   9.141 -10.557
  415    HA   PRO  56           HA       PRO  56  -2.142  -0.183 -14.202
  416   1HB   PRO  56          1HB       PRO  56  -2.525  -1.919 -12.067
  417   2HB   PRO  56          2HB       PRO  56  -1.010  -1.103 -12.524
  418   1HG   PRO  56          2HG       PRO  56  -3.115  -0.005 -10.581
  419   2HG   PRO  56          1HG       PRO  56  -1.363  -0.291 -10.322
  420   1HD   PRO  56          1HD       PRO  56  -2.165   2.096 -10.999
  421   2HD   PRO  56          2HD       PRO  56  -0.886   1.378 -12.027
  422    H    LYS  57           H        LYS  57  -3.604  -2.032 -14.821
  423    HA   LYS  57           HA       LYS  57  -5.739  -3.245 -14.172
  424   1HB   LYS  57          1HB       LYS  57  -6.721  -1.581 -13.157
  425   2HB   LYS  57          2HB       LYS  57  -6.845  -0.518 -14.606
  426   1HG   LYS  57          1HG       LYS  57  -8.723  -1.711 -15.320
  427   2HG   LYS  57          2HG       LYS  57  -8.288  -3.159 -14.368
  428   1HD   LYS  57          1HD       LYS  57 -10.128  -1.825 -13.343
  429   2HD   LYS  57          2HD       LYS  57  -8.749  -2.113 -12.292
  430   1HE   LYS  57          1HE       LYS  57  -9.023   0.520 -13.810
  431   2HE   LYS  57          2HE       LYS  57  -9.872   0.252 -12.278
  432   1HZ   LYS  57          1HZ       LYS  57  -7.728  -0.155 -11.216
  433   2HZ   LYS  57          2HZ       LYS  57  -6.921   0.123 -12.565
  434   3HZ   LYS  57          3HZ       LYS  57  -7.709   1.360 -11.892
  435    H    GLU  58           H        GLU  58  -4.410  -1.432 -16.593
  436    HA   GLU  58           HA       GLU  58  -6.154  -2.593 -18.680
  437   1HB   GLU  58          1HB       GLU  58  -6.146  -0.478 -18.609
  438   2HB   GLU  58          2HB       GLU  58  -4.331  -0.508 -18.879
  439   1HG   GLU  58          1HG       GLU  58  -4.570  -1.085 -21.156
  440   2HG   GLU  58          2HG       GLU  58  -6.108  -1.891 -20.857
  441    H    GLY  59           H        GLY  59  -5.393  -4.045 -18.142
  442   1HA   GLY  59          2HA       GLY  59  -3.358  -5.716 -19.648
  443   2HA   GLY  59          1HA       GLY  59  -4.472  -6.395 -18.442
  444    H    ASP  60           H        ASP  60  -3.708  -4.130 -16.440
  445    HA   ASP  60           HA       ASP  60  -1.318  -5.446 -15.449
  446   1HB   ASP  60          1HB       ASP  60  -1.365  -2.649 -15.878
  447   2HB   ASP  60          2HB       ASP  60  -2.068  -2.810 -14.280
  448    H    ASP  61           H        ASP  61  -1.396  -5.348 -13.307
  449    HA   ASP  61           HA       ASP  61  -4.038  -6.148 -12.317
  450   1HB   ASP  61          1HB       ASP  61  -2.939  -8.118 -12.476
  451   2HB   ASP  61          2HB       ASP  61  -1.659  -7.384 -11.538
  452    H    ASP  62           H        ASP  62  -4.594  -4.103 -11.487
  453    HA   ASP  62           HA       ASP  62  -2.974  -2.755  -9.347
  454   1HB   ASP  62          2HB       ASP  62  -4.842  -1.229  -9.301
  455   2HB   ASP  62          1HB       ASP  62  -4.415  -1.539 -10.973
  456    H    SER  63           H        SER  63  -6.177  -4.268  -9.875
  457    HA   SER  63           HA       SER  63  -7.955  -4.662  -8.429
  458   1HB   SER  63          1HB       SER  63  -6.113  -6.740  -7.237
  459   2HB   SER  63          2HB       SER  63  -7.867  -6.808  -7.410
  460    HG   SER  63           HG       SER  63  -5.928  -7.123  -9.446
  461    HA   PRO  64           HA       PRO  64  -6.247  -3.105  -4.398
  462   1HB   PRO  64          1HB       PRO  64  -6.948  -4.506  -2.175
  463   2HB   PRO  64          2HB       PRO  64  -8.116  -3.632  -3.218
  464   1HG   PRO  64          2HG       PRO  64  -7.503  -6.568  -3.377
  465   2HG   PRO  64          1HG       PRO  64  -9.106  -5.791  -3.106
  466   1HD   PRO  64          1HD       PRO  64  -8.360  -6.401  -5.544
  467   2HD   PRO  64          2HD       PRO  64  -9.097  -4.834  -5.314
  468    H    SER  65           H        SER  65  -5.530  -6.094  -5.190
  469    HA   SER  65           HA       SER  65  -3.244  -6.519  -3.490
  470   1HB   SER  65          1HB       SER  65  -3.729  -8.852  -4.410
  471   2HB   SER  65          2HB       SER  65  -4.924  -8.100  -3.320
  472    HG   SER  65           HG       SER  65  -5.094  -8.456  -6.138
  473    H    GLY  66           H        GLY  66  -3.604  -6.648  -6.922
  474   1HA   GLY  66          2HA       GLY  66  -2.409  -6.607  -8.565
  475   2HA   GLY  66          1HA       GLY  66  -1.166  -7.590  -7.805
  476    H    ILE  67           H        ILE  67  -2.679  -4.341  -7.123
  477    HA   ILE  67           HA       ILE  67  -0.427  -2.953  -7.623
  478    HB   ILE  67           HB       ILE  67  -1.294  -1.342  -5.759
  479   1HG1  ILE  67          1HG1      ILE  67  -3.367  -3.411  -5.449
  480   2HG1  ILE  67          2HG1      ILE  67  -2.390  -2.505  -4.379
  481   1HG2  ILE  67          1HG2      ILE  67  -1.963  -1.298  -8.330
  482   2HG2  ILE  67          2HG2      ILE  67  -3.538  -1.913  -7.658
  483   3HG2  ILE  67          3HG2      ILE  67  -2.979  -0.379  -7.222
  484   1HD1  ILE  67          1HD1      ILE  67  -3.741  -0.425  -4.754
  485   2HD1  ILE  67          2HD1      ILE  67  -4.730  -1.249  -5.960
  486   3HD1  ILE  67          3HD1      ILE  67  -4.816  -1.723  -4.310
  487    H    VAL  68           H        VAL  68  -1.276  -4.330  -4.629
  488    HA   VAL  68           HA       VAL  68   1.146  -3.364  -3.271
  489    HB   VAL  68           HB       VAL  68  -0.492  -5.745  -2.364
  490   1HG1  VAL  68          1HG1      VAL  68   1.628  -4.496  -1.098
  491   2HG1  VAL  68          2HG1      VAL  68   0.406  -3.348  -0.667
  492   3HG1  VAL  68          3HG1      VAL  68   0.196  -5.014  -0.142
  493   1HG2  VAL  68          1HG2      VAL  68  -1.288  -2.865  -2.350
  494   2HG2  VAL  68          2HG2      VAL  68  -2.175  -4.289  -2.941
  495   3HG2  VAL  68          3HG2      VAL  68  -1.986  -4.045  -1.221
  496    H    ASN  69           H        ASN  69   0.191  -5.808  -5.271
  497    HA   ASN  69           HA       ASN  69   2.371  -7.722  -5.027
  498   1HB   ASN  69          1HB       ASN  69   0.115  -7.817  -6.222
  499   2HB   ASN  69          2HB       ASN  69   1.346  -7.652  -7.510
  500   2HD2  ASN  69          2HD2      ASN  69  -0.353  -9.889  -5.760
  501   1HD2  ASN  69          1HD2      ASN  69   0.832 -11.195  -5.715
  502    H    THR  70           H        THR  70   1.816  -4.770  -6.896
  503    HA   THR  70           HA       THR  70   3.810  -5.406  -8.626
  504    HB   THR  70           HB       THR  70   2.600  -2.703  -7.889
  505    HG1  THR  70           HG1      THR  70   1.209  -4.399  -8.844
  506   1HG2  THR  70          1HG2      THR  70   4.210  -3.374 -10.389
  507   2HG2  THR  70          2HG2      THR  70   3.286  -1.884 -10.125
  508   3HG2  THR  70          3HG2      THR  70   4.695  -2.235  -9.106
  509    H    VAL  71           H        VAL  71   3.655  -3.745  -5.611
  510    HA   VAL  71           HA       VAL  71   6.323  -2.818  -5.216
  511    HB   VAL  71           HB       VAL  71   4.124  -3.697  -3.247
  512   1HG1  VAL  71          1HG1      VAL  71   6.497  -1.927  -2.850
  513   2HG1  VAL  71          2HG1      VAL  71   5.221  -2.309  -1.655
  514   3HG1  VAL  71          3HG1      VAL  71   6.306  -3.607  -2.209
  515   1HG2  VAL  71          1HG2      VAL  71   4.843  -1.179  -4.705
  516   2HG2  VAL  71          2HG2      VAL  71   3.294  -2.051  -4.627
  517   3HG2  VAL  71          3HG2      VAL  71   3.891  -1.185  -3.182
  518    H    LYS  72           H        LYS  72   4.386  -5.771  -4.418
  519    HA   LYS  72           HA       LYS  72   6.539  -7.022  -3.188
  520   1HB   LYS  72          1HB       LYS  72   3.939  -7.814  -4.010
  521   2HB   LYS  72          2HB       LYS  72   4.992  -9.118  -4.548
  522   1HG   LYS  72          1HG       LYS  72   4.660  -9.555  -2.183
  523   2HG   LYS  72          2HG       LYS  72   6.189  -8.700  -2.219
  524   1HD   LYS  72          1HD       LYS  72   5.199  -7.257  -0.932
  525   2HD   LYS  72          2HD       LYS  72   4.414  -6.552  -2.238
  526   1HE   LYS  72          1HE       LYS  72   2.557  -8.160  -2.365
  527   2HE   LYS  72          2HE       LYS  72   3.040  -8.892  -0.868
  528   1HZ   LYS  72          1HZ       LYS  72   2.604  -6.733   0.193
  529   2HZ   LYS  72          2HZ       LYS  72   2.103  -6.142  -1.279
  530   3HZ   LYS  72          3HZ       LYS  72   1.286  -7.367  -0.515
  531    H    GLN  73           H        GLN  73   6.434  -6.414  -6.189
  532    HA   GLN  73           HA       GLN  73   8.325  -8.292  -7.011
  533   1HB   GLN  73          1HB       GLN  73   6.486  -6.649  -8.759
  534   2HB   GLN  73          2HB       GLN  73   7.695  -7.803  -9.395
  535   1HG   GLN  73          1HG       GLN  73   6.751  -9.506  -7.789
  536   2HG   GLN  73          2HG       GLN  73   5.554  -8.490  -7.328
  537   2HE2  GLN  73          2HE2      GLN  73   3.673  -8.903  -8.061
  538   1HE2  GLN  73          1HE2      GLN  73   3.262  -9.297  -9.731
  539    H    TRP  74           H        TRP  74   7.877  -4.856  -7.147
  540    HA   TRP  74           HA       TRP  74  10.521  -4.032  -7.954
  541   1HB   TRP  74          1HB       TRP  74   8.508  -2.687  -8.081
  542   2HB   TRP  74          2HB       TRP  74   8.697  -2.558  -6.341
  543    HD1  TRP  74           HD1      TRP  74  10.213  -1.758  -9.610
  544    HE1  TRP  74           HE1      TRP  74  12.257  -0.186  -9.555
  545    HE3  TRP  74           HE3      TRP  74  10.341  -1.105  -4.666
  546    HZ2  TRP  74           HZ2      TRP  74  13.676   1.291  -7.495
  547    HZ3  TRP  74           HZ3      TRP  74  11.724   0.618  -3.727
  548    HH2  TRP  74           HH2      TRP  74  13.488   1.804  -5.061
  549    H    ARG  75           H        ARG  75   8.897  -3.962  -4.751
  550    HA   ARG  75           HA       ARG  75  11.202  -3.764  -3.104
  551   1HB   ARG  75          1HB       ARG  75   8.280  -4.707  -2.590
  552   2HB   ARG  75          2HB       ARG  75   9.418  -5.004  -1.405
  553   1HG   ARG  75          1HG       ARG  75  10.113  -2.446  -1.678
  554   2HG   ARG  75          2HG       ARG  75   8.571  -2.298  -2.459
  555   1HD   ARG  75          2HD       ARG  75   7.968  -1.823  -0.271
  556   2HD   ARG  75          1HD       ARG  75   7.770  -3.596  -0.237
  557    HE   ARG  75           HE       ARG  75   9.541  -3.824   1.187
  558   1HH1  ARG  75          1HH1      ARG  75   9.335  -0.351   0.156
  559   2HH1  ARG  75          2HH1      ARG  75  10.407   0.078   1.477
  560   1HH2  ARG  75          1HH2      ARG  75  10.993  -2.968   2.830
  561   2HH2  ARG  75          2HH2      ARG  75  11.366  -1.244   2.771
  562    H    ALA  76           H        ALA  76  10.216  -6.431  -5.006
  563    HA   ALA  76           HA       ALA  76  11.677  -8.302  -3.240
  564   1HB   ALA  76          1HB       ALA  76   9.800  -8.961  -5.492
  565   2HB   ALA  76          3HB       ALA  76  10.655 -10.159  -4.514
  566   3HB   ALA  76          2HB       ALA  76   9.471  -9.102  -3.731
  567    H    ALA  77           H        ALA  77  11.790  -6.805  -6.169
  568    HA   ALA  77           HA       ALA  77  13.868  -8.537  -7.393
  569   1HB   ALA  77          1HB       ALA  77  12.120  -7.563  -8.864
  570   2HB   ALA  77          3HB       ALA  77  12.499  -5.931  -8.273
  571   3HB   ALA  77          2HB       ALA  77  13.685  -6.798  -9.262
  572    H    ASN  78           H        ASN  78  13.312  -5.393  -6.159
  573    HA   ASN  78           HA       ASN  78  16.044  -4.509  -6.038
  574   1HB   ASN  78          1HB       ASN  78  13.545  -3.272  -6.278
  575   2HB   ASN  78          2HB       ASN  78  13.655  -3.337  -4.623
  576   2HD2  ASN  78          2HD2      ASN  78  15.505  -2.269  -7.533
  577   1HD2  ASN  78          1HD2      ASN  78  16.296  -0.924  -6.711
  578    H    GLY  79           H        GLY  79  14.143  -6.608  -4.596
  579   1HA   GLY  79          2HA       GLY  79  16.220  -7.368  -2.717
  580   2HA   GLY  79          1HA       GLY  79  14.687  -8.220  -2.922
  581    H    LYS  80           H        LYS  80  13.721  -5.391  -2.428
  582    HA   LYS  80           HA       LYS  80  14.226  -3.944  -0.246
  583   1HB   LYS  80          1HB       LYS  80  11.499  -4.210  -0.919
  584   2HB   LYS  80          2HB       LYS  80  12.333  -3.009   0.083
  585   1HG   LYS  80          1HG       LYS  80  14.157  -3.187  -1.959
  586   2HG   LYS  80          2HG       LYS  80  12.926  -3.511  -2.840
  587   1HD   LYS  80          1HD       LYS  80  13.688  -1.468  -1.299
  588   2HD   LYS  80          2HD       LYS  80  13.702  -1.610  -2.959
  589   1HE   LYS  80          1HE       LYS  80  11.548  -0.952  -2.855
  590   2HE   LYS  80          2HE       LYS  80  11.427  -1.110  -1.111
  591   1HZ   LYS  80          1HZ       LYS  80  13.426   0.743  -2.214
  592   2HZ   LYS  80          2HZ       LYS  80  11.939   1.295  -1.828
  593   3HZ   LYS  80          3HZ       LYS  80  12.893   0.655  -0.656
  594    H    SER  81           H        SER  81  11.919  -6.360  -0.164
  595    HA   SER  81           HA       SER  81  10.870  -7.761   1.409
  596   1HB   SER  81          1HB       SER  81  13.157  -7.617   2.851
  597   2HB   SER  81          2HB       SER  81  11.927  -8.873   2.941
  598    HG   SER  81           HG       SER  81  13.791  -8.325   0.825
  599    H    GLY  82           H        GLY  82  12.109  -6.815   3.932
  600   1HA   GLY  82          2HA       GLY  82  11.639  -4.088   4.261
  601   2HA   GLY  82          1HA       GLY  82  11.923  -5.198   5.639
  602    H    PHE  83           H        PHE  83   9.314  -6.490   4.715
  603    HA   PHE  83           HA       PHE  83   7.617  -4.832   6.437
  604   1HB   PHE  83          1HB       PHE  83   6.978  -7.492   5.080
  605   2HB   PHE  83          2HB       PHE  83   5.985  -6.513   6.053
  606    HD1  PHE  83           HD1      PHE  83   4.651  -4.623   5.427
  607    HD2  PHE  83           HD2      PHE  83   7.124  -6.930   2.831
  608    HE1  PHE  83           HE1      PHE  83   3.756  -3.501   3.622
  609    HE2  PHE  83           HE2      PHE  83   6.371  -5.735   0.929
  610    HZ   PHE  83           HZ       PHE  83   4.529  -3.976   1.140
  611    H    LYS  84           H        LYS  84   6.507  -7.464   7.212
  612    HA   LYS  84           HA       LYS  84   7.740  -8.281   9.626
  613   1HB   LYS  84          1HB       LYS  84   6.557  -6.112   9.461
  614   2HB   LYS  84          2HB       LYS  84   5.191  -7.239   9.414
  615   1HG   LYS  84          1HG       LYS  84   6.213  -8.457  11.432
  616   2HG   LYS  84          2HG       LYS  84   7.482  -7.229  11.451
  617   1HD   LYS  84          1HD       LYS  84   5.857  -6.820  13.039
  618   2HD   LYS  84          2HD       LYS  84   5.903  -5.535  11.744
  619   1HE   LYS  84          1HE       LYS  84   3.886  -6.347  10.753
  620   2HE   LYS  84          2HE       LYS  84   3.966  -7.858  11.667
  621   1HZ   LYS  84          1HZ       LYS  84   3.407  -5.336  12.987
  622   2HZ   LYS  84          2HZ       LYS  84   2.244  -6.202  12.188
  623   3HZ   LYS  84          3HZ       LYS  84   3.037  -6.956  13.425
  624    H    GLN  85           H        GLN  85   5.890  -9.690  10.389
  625    HA   GLN  85           HA       GLN  85   5.013 -11.700   8.395
  626   1HB   GLN  85          1HB       GLN  85   7.051 -12.104   9.812
  627   2HB   GLN  85          2HB       GLN  85   5.717 -13.223  10.260
  628   1HG   GLN  85          1HG       GLN  85   5.549 -13.980   8.022
  629   2HG   GLN  85          2HG       GLN  85   6.677 -12.728   7.458
  630   2HE2  GLN  85          2HE2      GLN  85   8.701 -13.531   6.968
  631   1HE2  GLN  85          1HE2      GLN  85   9.428 -14.898   7.811
  632    H    GLY  86           H        GLY  86   4.976 -10.910  11.759
  633   1HA   GLY  86          2HA       GLY  86   2.760 -11.635  13.014
  634   2HA   GLY  86          1HA       GLY  86   2.140 -10.472  11.804

  No H/Q in entry =         634
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -7.042  -0.798   8.559
    2    H2   MET   1           H2       MET   1  -8.427  -0.342   9.360
    3    H3   MET   1           H3       MET   1  -8.144   0.189   7.853
    4    HA   MET   1           HA       MET   1  -6.182   1.407   8.582
    5   1HB   MET   1          1HB       MET   1  -8.380   2.511   8.414
    6   2HB   MET   1          2HB       MET   1  -8.527   2.338  10.194
    7   1HG   MET   1          1HG       MET   1  -6.318   3.461  10.406
    8   2HG   MET   1          2HG       MET   1  -6.238   3.623   8.655
    9   1HE   MET   1          1HE       MET   1  -5.832   5.661  10.977
   10   2HE   MET   1          2HE       MET   1  -5.527   5.962   9.259
   11   3HE   MET   1          3HE       MET   1  -6.480   7.136  10.203
   12    H    GLU   2           H        GLU   2  -5.286  -0.581   9.618
   13    HA   GLU   2           HA       GLU   2  -3.977   0.353  12.022
   14   1HB   GLU   2          1HB       GLU   2  -2.074  -0.853  10.981
   15   2HB   GLU   2          2HB       GLU   2  -3.438  -1.896  11.342
   16   1HG   GLU   2          1HG       GLU   2  -2.918  -0.747   8.568
   17   2HG   GLU   2          2HG       GLU   2  -2.241  -2.274   9.131
   18    H    LEU   3           H        LEU   3  -1.810   1.579  11.498
   19    HA   LEU   3           HA       LEU   3  -1.104   2.541   9.151
   20   1HB   LEU   3          1HB       LEU   3  -2.426   4.412  11.138
   21   2HB   LEU   3          2HB       LEU   3  -0.840   4.903  10.519
   22    HG   LEU   3           HG       LEU   3  -3.216   4.159   8.882
   23   1HD1  LEU   3          1HD1      LEU   3  -3.340   6.398  10.070
   24   2HD1  LEU   3          2HD1      LEU   3  -1.795   6.857   9.332
   25   3HD1  LEU   3          3HD1      LEU   3  -3.227   6.650   8.309
   26   1HD2  LEU   3          1HD2      LEU   3  -0.469   5.253   8.056
   27   2HD2  LEU   3          2HD2      LEU   3  -1.199   3.737   7.506
   28   3HD2  LEU   3          3HD2      LEU   3  -1.836   5.265   6.946
   29    H    LYS   4           H        LYS   4   1.055   3.526   9.732
   30    HA   LYS   4           HA       LYS   4   2.072   2.550  12.209
   31   1HB   LYS   4          1HB       LYS   4   2.104   0.903   9.787
   32   2HB   LYS   4          2HB       LYS   4   3.702   1.290  10.318
   33   1HG   LYS   4          1HG       LYS   4   3.155  -0.777  11.288
   34   2HG   LYS   4          2HG       LYS   4   3.176   0.454  12.601
   35   1HD   LYS   4          1HD       LYS   4   0.816   0.295  12.573
   36   2HD   LYS   4          2HD       LYS   4   0.888  -0.979  11.319
   37   1HE   LYS   4          1HE       LYS   4   2.175  -1.100  14.076
   38   2HE   LYS   4          2HE       LYS   4   0.496  -1.605  13.786
   39   1HZ   LYS   4          1HZ       LYS   4   1.291  -3.220  12.198
   40   2HZ   LYS   4          2HZ       LYS   4   2.857  -2.828  12.494
   41   3HZ   LYS   4          3HZ       LYS   4   1.923  -3.502  13.659
   42    H    HIS   5           H        HIS   5   4.752   2.746  11.923
   43    HA   HIS   5           HA       HIS   5   4.813   5.609  11.272
   44   1HB   HIS   5          2HB       HIS   5   7.271   4.207  12.172
   45   2HB   HIS   5          1HB       HIS   5   6.720   5.813  12.477
   46    HD1  HIS   5           HD1      HIS   5   4.385   5.585  14.427
   47    HD2  HIS   5           HD2      HIS   5   7.360   2.704  13.918
   48    HE1  HIS   5           HE1      HIS   5   4.368   4.213  16.609
   49    H    SER   6           H        SER   6   5.666   2.587  10.341
   50    HA   SER   6           HA       SER   6   7.535   3.389   8.361
   51   1HB   SER   6          2HB       SER   6   7.159   0.848   9.711
   52   2HB   SER   6          1HB       SER   6   8.490   1.459   8.858
   53    HG   SER   6           HG       SER   6   7.678   2.068  11.441
   54    H    ILE   7           H        ILE   7   7.635   1.750   6.613
   55    HA   ILE   7           HA       ILE   7   5.215   0.234   5.886
   56    HB   ILE   7           HB       ILE   7   6.465   1.183   4.039
   57   1HG1  ILE   7          1HG1      ILE   7   7.659  -0.703   2.851
   58   2HG1  ILE   7          2HG1      ILE   7   7.115  -1.757   4.129
   59   1HG2  ILE   7          1HG2      ILE   7   9.010   0.052   5.166
   60   2HG2  ILE   7          2HG2      ILE   7   8.867   0.771   3.565
   61   3HG2  ILE   7          3HG2      ILE   7   8.542   1.796   4.908
   62   1HD1  ILE   7          1HD1      ILE   7   5.312  -0.001   2.442
   63   2HD1  ILE   7          2HD1      ILE   7   5.895  -1.600   1.910
   64   3HD1  ILE   7          3HD1      ILE   7   4.875  -1.463   3.334
   65    H    SER   8           H        SER   8   7.608  -0.060   8.133
   66    HA   SER   8           HA       SER   8   7.894  -2.893   7.704
   67   1HB   SER   8          1HB       SER   8   9.691  -2.509   7.350
   68   2HB   SER   8          2HB       SER   8   9.454  -0.863   7.496
   69    HG   SER   8           HG       SER   8  10.182  -2.450   9.734
   70    H    ASP   9           H        ASP   9   6.635  -0.611   9.886
   71    HA   ASP   9           HA       ASP   9   6.877  -2.425  12.166
   72   1HB   ASP   9          1HB       ASP   9   5.031  -0.171  11.321
   73   2HB   ASP   9          2HB       ASP   9   4.811  -0.912  12.917
   74    H    TYR  10           H        TYR  10   5.295  -2.472   9.145
   75    HA   TYR  10           HA       TYR  10   3.207  -4.204  10.431
   76   1HB   TYR  10          1HB       TYR  10   1.461  -3.431   9.202
   77   2HB   TYR  10          2HB       TYR  10   2.216  -2.145   9.993
   78    HD1  TYR  10           HD1      TYR  10   4.086  -2.872   6.986
   79    HD2  TYR  10           HD2      TYR  10   0.447  -1.054   8.441
   80    HE1  TYR  10           HE1      TYR  10   4.091  -1.435   5.119
   81    HE2  TYR  10           HE2      TYR  10   0.517   0.480   6.499
   82    HH   TYR  10           HH       TYR  10   1.980   1.509   5.034
   83    H    THR  11           H        THR  11   2.295  -5.898   8.943
   84    HA   THR  11           HA       THR  11   4.560  -7.095   7.460
   85    HB   THR  11           HB       THR  11   3.897  -8.969   8.075
   86    HG1  THR  11           HG1      THR  11   2.018  -9.990   7.813
   87   1HG2  THR  11          1HG2      THR  11   3.239  -7.774  10.213
   88   2HG2  THR  11          2HG2      THR  11   1.564  -7.944   9.682
   89   3HG2  THR  11          3HG2      THR  11   2.522  -9.367  10.004
   90    H    GLU  12           H        GLU  12   3.515  -8.435   5.312
   91    HA   GLU  12           HA       GLU  12   2.171  -6.438   3.653
   92   1HB   GLU  12          1HB       GLU  12   3.207  -9.254   3.245
   93   2HB   GLU  12          2HB       GLU  12   2.292  -8.420   1.983
   94   1HG   GLU  12          1HG       GLU  12   3.941  -6.775   1.643
   95   2HG   GLU  12          2HG       GLU  12   4.231  -6.650   3.226
   96    H    ALA  13           H        ALA  13   0.926  -8.725   5.782
   97    HA   ALA  13           HA       ALA  13  -1.603  -8.974   4.143
   98   1HB   ALA  13          1HB       ALA  13  -1.006 -10.965   5.550
   99   2HB   ALA  13          3HB       ALA  13  -0.986  -9.930   6.999
  100   3HB   ALA  13          2HB       ALA  13  -2.504 -10.197   6.117
  101    H    GLU  14           H        GLU  14  -0.240  -7.539   6.988
  102    HA   GLU  14           HA       GLU  14  -2.152  -5.759   7.877
  103   1HB   GLU  14          1HB       GLU  14   0.746  -6.275   7.891
  104   2HB   GLU  14          2HB       GLU  14   0.471  -4.571   7.930
  105   1HG   GLU  14          1HG       GLU  14  -1.288  -5.392   9.791
  106   2HG   GLU  14          2HG       GLU  14  -0.311  -6.888   9.686
  107    H    PHE  15           H        PHE  15   0.320  -5.104   5.420
  108    HA   PHE  15           HA       PHE  15  -0.813  -2.455   4.816
  109   1HB   PHE  15          1HB       PHE  15   1.599  -3.038   4.773
  110   2HB   PHE  15          2HB       PHE  15   1.318  -4.230   3.512
  111    HD1  PHE  15           HD1      PHE  15   0.239  -0.638   3.924
  112    HD2  PHE  15           HD2      PHE  15   2.320  -3.530   1.536
  113    HE1  PHE  15           HE1      PHE  15   1.034   1.173   2.433
  114    HE2  PHE  15           HE2      PHE  15   3.150  -1.698   0.044
  115    HZ   PHE  15           HZ       PHE  15   2.560   0.658   0.563
  116    H    LEU  16           H        LEU  16  -1.244  -5.823   3.607
  117    HA   LEU  16           HA       LEU  16  -2.302  -4.849   1.064
  118   1HB   LEU  16          1HB       LEU  16  -1.466  -7.041   1.379
  119   2HB   LEU  16          2HB       LEU  16  -2.689  -7.441   2.586
  120    HG   LEU  16           HG       LEU  16  -4.326  -7.748   1.010
  121   1HD1  LEU  16          1HD1      LEU  16  -4.169  -5.531  -0.176
  122   2HD1  LEU  16          2HD1      LEU  16  -2.800  -6.149  -1.074
  123   3HD1  LEU  16          3HD1      LEU  16  -4.459  -6.871  -1.184
  124   1HD2  LEU  16          1HD2      LEU  16  -2.373  -9.339   0.553
  125   2HD2  LEU  16          2HD2      LEU  16  -3.309  -9.025  -0.915
  126   3HD2  LEU  16          3HD2      LEU  16  -1.746  -8.209  -0.666
  127    H    GLN  17           H        GLN  17  -3.560  -5.600   4.306
  128    HA   GLN  17           HA       GLN  17  -6.135  -5.335   3.688
  129   1HB   GLN  17          1HB       GLN  17  -5.561  -6.542   5.646
  130   2HB   GLN  17          2HB       GLN  17  -4.490  -5.248   6.236
  131   1HG   GLN  17          1HG       GLN  17  -6.179  -3.888   6.890
  132   2HG   GLN  17          2HG       GLN  17  -7.398  -4.736   5.906
  133   2HE2  GLN  17          2HE2      GLN  17  -5.665  -4.743   8.986
  134   1HE2  GLN  17          1HE2      GLN  17  -6.573  -6.082   9.701
  135    H    LEU  18           H        LEU  18  -3.549  -3.217   4.617
  136    HA   LEU  18           HA       LEU  18  -5.133  -0.999   5.242
  137   1HB   LEU  18          1HB       LEU  18  -2.769  -1.216   5.882
  138   2HB   LEU  18          2HB       LEU  18  -2.273  -1.164   4.186
  139    HG   LEU  18           HG       LEU  18  -3.867   1.113   4.750
  140   1HD1  LEU  18          1HD1      LEU  18  -1.562   0.753   6.639
  141   2HD1  LEU  18          2HD1      LEU  18  -2.341   2.310   6.286
  142   3HD1  LEU  18          3HD1      LEU  18  -3.273   0.993   7.012
  143   1HD2  LEU  18          1HD2      LEU  18  -2.196   0.783   2.876
  144   2HD2  LEU  18          2HD2      LEU  18  -2.241   2.352   3.670
  145   3HD2  LEU  18          3HD2      LEU  18  -0.951   1.201   4.080
  146    H    VAL  19           H        VAL  19  -3.722  -2.156   2.243
  147    HA   VAL  19           HA       VAL  19  -4.300   0.104   0.334
  148    HB   VAL  19           HB       VAL  19  -3.716  -2.790  -0.016
  149   1HG1  VAL  19          1HG1      VAL  19  -4.183  -0.504  -1.986
  150   2HG1  VAL  19          2HG1      VAL  19  -3.496  -2.098  -2.349
  151   3HG1  VAL  19          3HG1      VAL  19  -5.165  -1.984  -1.831
  152   1HG2  VAL  19          1HG2      VAL  19  -2.182  -0.384   0.574
  153   2HG2  VAL  19          2HG2      VAL  19  -1.576  -1.975   0.196
  154   3HG2  VAL  19          3HG2      VAL  19  -1.907  -0.807  -1.109
  155    H    THR  20           H        THR  20  -5.936  -2.785   1.803
  156    HA   THR  20           HA       THR  20  -8.306  -2.558   0.171
  157    HB   THR  20           HB       THR  20  -6.971  -4.638   1.469
  158    HG1  THR  20           HG1      THR  20  -9.530  -4.586   0.306
  159   1HG2  THR  20          1HG2      THR  20  -8.259  -4.326   3.581
  160   2HG2  THR  20          2HG2      THR  20  -9.736  -4.598   2.664
  161   3HG2  THR  20          3HG2      THR  20  -8.474  -5.862   2.769
  162    H    THR  21           H        THR  21  -7.312  -1.119   3.248
  163    HA   THR  21           HA       THR  21  -9.937  -0.281   4.076
  164    HB   THR  21           HB       THR  21  -7.054   0.238   4.661
  165    HG1  THR  21           HG1      THR  21  -9.205  -0.312   6.399
  166   1HG2  THR  21          1HG2      THR  21  -7.817   2.569   4.571
  167   2HG2  THR  21          2HG2      THR  21  -9.052   2.252   5.763
  168   3HG2  THR  21          3HG2      THR  21  -7.374   2.035   6.199
  169    H    ILE  22           H        ILE  22  -7.598   0.715   1.647
  170    HA   ILE  22           HA       ILE  22  -8.746   3.302   1.211
  171    HB   ILE  22           HB       ILE  22  -6.896   1.855  -0.717
  172   1HG1  ILE  22          1HG1      ILE  22  -6.367   2.941   1.995
  173   2HG1  ILE  22          2HG1      ILE  22  -5.553   1.693   1.052
  174   1HG2  ILE  22          1HG2      ILE  22  -8.107   3.890  -1.535
  175   2HG2  ILE  22          2HG2      ILE  22  -7.264   4.828  -0.289
  176   3HG2  ILE  22          3HG2      ILE  22  -6.357   3.998  -1.567
  177   1HD1  ILE  22          1HD1      ILE  22  -4.481   3.516  -0.278
  178   2HD1  ILE  22          2HD1      ILE  22  -5.245   4.650   0.884
  179   3HD1  ILE  22          3HD1      ILE  22  -4.063   3.439   1.452
  180    H    CYS  23           H        CYS  23  -8.430   0.280  -0.609
  181    HA   CYS  23           HA       CYS  23 -10.714   0.717  -2.282
  182   1HB   CYS  23          1HB       CYS  23  -9.594  -2.038  -1.559
  183   2HB   CYS  23          2HB       CYS  23 -10.528  -1.530  -2.953
  184    H    ASN  24           H        ASN  24 -10.584   0.471   1.088
  185    HA   ASN  24           HA       ASN  24 -13.576  -0.170   0.838
  186   1HB   ASN  24          1HB       ASN  24 -12.457  -1.932   2.065
  187   2HB   ASN  24          2HB       ASN  24 -12.016  -0.782   3.333
  188   2HD2  ASN  24          2HD2      ASN  24 -13.536  -0.814   5.106
  189   1HD2  ASN  24          1HD2      ASN  24 -15.198  -1.283   4.853
  190    H    ALA  25           H        ALA  25 -11.561   2.459   1.769
  191    HA   ALA  25           HA       ALA  25 -12.046   4.569   2.636
  192   1HB   ALA  25          1HB       ALA  25 -14.991   3.858   2.070
  193   2HB   ALA  25          3HB       ALA  25 -14.282   5.466   2.238
  194   3HB   ALA  25          2HB       ALA  25 -13.882   4.452   0.824
  195    H    ASP  26           H        ASP  26 -11.921   2.219   4.157
  196    HA   ASP  26           HA       ASP  26 -13.508   1.951   6.530
  197   1HB   ASP  26          1HB       ASP  26 -12.270   0.430   5.265
  198   2HB   ASP  26          2HB       ASP  26 -10.780   1.257   5.604
  199    H    THR  27           H        THR  27 -12.805   4.197   6.067
  200    HA   THR  27           HA       THR  27 -10.703   5.435   7.792
  201    HB   THR  27           HB       THR  27 -10.535   7.022   6.123
  202    HG1  THR  27           HG1      THR  27 -12.841   5.889   4.995
  203   1HG2  THR  27          1HG2      THR  27  -9.530   4.706   5.942
  204   2HG2  THR  27          2HG2      THR  27 -10.585   4.567   4.504
  205   3HG2  THR  27          3HG2      THR  27  -9.373   5.869   4.642
  206    H    SER  28           H        SER  28 -10.922   7.963   7.814
  207    HA   SER  28           HA       SER  28 -12.973   8.622   9.594
  208   1HB   SER  28          1HB       SER  28 -12.251  10.979   9.051
  209   2HB   SER  28          2HB       SER  28 -10.912   9.884   9.514
  210    HG   SER  28           HG       SER  28 -10.115  10.763   7.801
  211    H    SER  29           H        SER  29 -12.728   8.544   6.259
  212    HA   SER  29           HA       SER  29 -14.735   8.558   4.849
  213   1HB   SER  29          1HB       SER  29 -16.202  10.499   4.763
  214   2HB   SER  29          2HB       SER  29 -16.498   9.313   6.056
  215    HG   SER  29           HG       SER  29 -15.502  10.779   7.469
  216    H    GLU  30           H        GLU  30 -13.078   8.682   3.642
  217    HA   GLU  30           HA       GLU  30 -12.534   9.245   1.857
  218   1HB   GLU  30          1HB       GLU  30 -14.699  10.594   1.846
  219   2HB   GLU  30          2HB       GLU  30 -13.708  12.052   1.949
  220   1HG   GLU  30          1HG       GLU  30 -12.767  11.621  -0.259
  221   2HG   GLU  30          2HG       GLU  30 -13.488  10.006  -0.301
  222    H    GLU  31           H        GLU  31 -11.476  10.855   4.223
  223    HA   GLU  31           HA       GLU  31  -9.343  12.356   3.257
  224   1HB   GLU  31          1HB       GLU  31 -11.293  12.490   4.985
  225   2HB   GLU  31          2HB       GLU  31  -9.867  12.120   5.836
  226   1HG   GLU  31          1HG       GLU  31  -9.704  14.356   3.911
  227   2HG   GLU  31          2HG       GLU  31 -10.424  14.643   5.512
  228    H    GLU  32           H        GLU  32  -9.530  10.293   5.989
  229    HA   GLU  32           HA       GLU  32  -7.041   9.265   6.222
  230   1HB   GLU  32          1HB       GLU  32  -9.690   8.574   6.662
  231   2HB   GLU  32          2HB       GLU  32  -8.530   7.202   6.464
  232   1HG   GLU  32          1HG       GLU  32  -8.882   8.086   8.771
  233   2HG   GLU  32          2HG       GLU  32  -7.246   7.901   8.084
  234    H    LEU  33           H        LEU  33  -9.336   8.960   3.493
  235    HA   LEU  33           HA       LEU  33  -8.036   6.638   2.343
  236   1HB   LEU  33          1HB       LEU  33 -10.030   8.735   1.491
  237   2HB   LEU  33          2HB       LEU  33  -9.316   7.712   0.247
  238    HG   LEU  33           HG       LEU  33 -10.251   6.433   2.849
  239   1HD1  LEU  33          1HD1      LEU  33 -11.948   7.714   0.657
  240   2HD1  LEU  33          2HD1      LEU  33 -12.356   6.081   0.979
  241   3HD1  LEU  33          3HD1      LEU  33 -12.426   7.214   2.332
  242   1HD2  LEU  33          1HD2      LEU  33  -8.922   5.306   1.023
  243   2HD2  LEU  33          2HD2      LEU  33 -10.493   4.542   1.271
  244   3HD2  LEU  33          3HD2      LEU  33 -10.230   5.593  -0.123
  245    H    VAL  34           H        VAL  34  -7.878  10.116   1.650
  246    HA   VAL  34           HA       VAL  34  -5.834  10.018  -0.358
  247    HB   VAL  34           HB       VAL  34  -6.958  11.996   1.398
  248   1HG1  VAL  34          1HG1      VAL  34  -4.750  12.525  -0.631
  249   2HG1  VAL  34          2HG1      VAL  34  -5.734  13.802   0.130
  250   3HG1  VAL  34          3HG1      VAL  34  -4.659  12.811   1.118
  251   1HG2  VAL  34          1HG2      VAL  34  -8.350  11.294  -0.460
  252   2HG2  VAL  34          2HG2      VAL  34  -7.847  12.973  -0.676
  253   3HG2  VAL  34          3HG2      VAL  34  -7.038  11.681  -1.601
  254    H    LYS  35           H        LYS  35  -5.982   9.726   3.117
  255    HA   LYS  35           HA       LYS  35  -3.209  10.555   3.674
  256   1HB   LYS  35          1HB       LYS  35  -5.295  11.017   4.963
  257   2HB   LYS  35          2HB       LYS  35  -5.284   9.260   5.363
  258   1HG   LYS  35          1HG       LYS  35  -3.147   9.402   6.294
  259   2HG   LYS  35          2HG       LYS  35  -3.001  11.125   5.810
  260   1HD   LYS  35          1HD       LYS  35  -5.059   9.883   7.568
  261   2HD   LYS  35          2HD       LYS  35  -3.554  10.669   8.119
  262   1HE   LYS  35          2HE       LYS  35  -5.265  12.176   8.670
  263   2HE   LYS  35          1HE       LYS  35  -4.442  12.864   7.249
  264   1HZ   LYS  35          1HZ       LYS  35  -6.431  12.154   5.951
  265   2HZ   LYS  35          2HZ       LYS  35  -7.128  11.616   7.390
  266   3HZ   LYS  35          3HZ       LYS  35  -6.815  13.158   7.101
  267    H    LEU  36           H        LEU  36  -5.222   7.419   3.716
  268    HA   LEU  36           HA       LEU  36  -3.059   5.740   4.235
  269   1HB   LEU  36          1HB       LEU  36  -5.903   5.761   3.044
  270   2HB   LEU  36          2HB       LEU  36  -5.070   4.290   3.144
  271    HG   LEU  36           HG       LEU  36  -6.515   5.384   5.010
  272   1HD1  LEU  36          1HD1      LEU  36  -5.692   2.914   4.705
  273   2HD1  LEU  36          2HD1      LEU  36  -4.206   3.401   5.499
  274   3HD1  LEU  36          3HD1      LEU  36  -5.706   3.395   6.426
  275   1HD2  LEU  36          1HD2      LEU  36  -5.036   6.930   6.072
  276   2HD2  LEU  36          2HD2      LEU  36  -5.339   5.576   7.137
  277   3HD2  LEU  36          3HD2      LEU  36  -3.806   5.672   6.259
  278    H    VAL  37           H        VAL  37  -4.405   7.231   1.294
  279    HA   VAL  37           HA       VAL  37  -2.877   5.747  -0.566
  280    HB   VAL  37           HB       VAL  37  -4.357   8.368  -0.542
  281   1HG1  VAL  37          1HG1      VAL  37  -2.642   7.545  -2.877
  282   2HG1  VAL  37          2HG1      VAL  37  -3.989   8.705  -2.960
  283   3HG1  VAL  37          3HG1      VAL  37  -2.581   9.078  -1.965
  284   1HG2  VAL  37          1HG2      VAL  37  -5.509   6.185  -0.869
  285   2HG2  VAL  37          2HG2      VAL  37  -5.739   7.312  -2.204
  286   3HG2  VAL  37          3HG2      VAL  37  -4.593   5.961  -2.372
  287    H    THR  38           H        THR  38  -2.255   8.916   1.040
  288    HA   THR  38           HA       THR  38   0.258   9.276  -0.049
  289    HB   THR  38           HB       THR  38  -1.205  10.485   1.793
  290    HG1  THR  38           HG1      THR  38  -0.370  11.001  -0.817
  291   1HG2  THR  38          1HG2      THR  38   1.034  10.987   2.690
  292   2HG2  THR  38          2HG2      THR  38   1.604  11.362   1.049
  293   3HG2  THR  38          3HG2      THR  38   0.452  12.447   1.865
  294    H    HIS  39           H        HIS  39  -0.688   7.885   3.115
  295    HA   HIS  39           HA       HIS  39   1.917   7.350   4.085
  296   1HB   HIS  39          1HB       HIS  39   0.046   7.068   5.527
  297   2HB   HIS  39          2HB       HIS  39  -0.737   6.124   4.291
  298    HD1  HIS  39           HD1      HIS  39   2.235   5.612   6.712
  299    HD2  HIS  39           HD2      HIS  39  -0.512   3.554   4.295
  300    HE1  HIS  39           HE1      HIS  39   2.433   3.161   7.353
  301    H    PHE  40           H        PHE  40  -0.166   5.694   1.605
  302    HA   PHE  40           HA       PHE  40   1.610   3.392   1.495
  303   1HB   PHE  40          1HB       PHE  40  -0.715   3.293   0.652
  304   2HB   PHE  40          2HB       PHE  40  -0.314   4.405  -0.643
  305    HD1  PHE  40           HD1      PHE  40   1.627   3.799  -2.259
  306    HD2  PHE  40           HD2      PHE  40  -0.397   0.982   0.285
  307    HE1  PHE  40           HE1      PHE  40   2.430   1.993  -3.641
  308    HE2  PHE  40           HE2      PHE  40   0.352  -0.883  -1.199
  309    HZ   PHE  40           HZ       PHE  40   1.755  -0.394  -3.177
  310    H    GLU  41           H        GLU  41   1.208   6.218  -0.576
  311    HA   GLU  41           HA       GLU  41   3.235   6.223  -2.328
  312   1HB   GLU  41          1HB       GLU  41   2.487   8.487  -0.828
  313   2HB   GLU  41          2HB       GLU  41   3.430   8.511  -2.322
  314   1HG   GLU  41          1HG       GLU  41   1.438   7.626  -3.474
  315   2HG   GLU  41          2HG       GLU  41   0.517   7.853  -2.018
  316    H    GLU  42           H        GLU  42   3.551   7.004   1.078
  317    HA   GLU  42           HA       GLU  42   6.240   7.890   1.090
  318   1HB   GLU  42          1HB       GLU  42   4.404   8.571   2.576
  319   2HB   GLU  42          2HB       GLU  42   4.724   7.003   3.121
  320   1HG   GLU  42          1HG       GLU  42   6.448   9.369   3.503
  321   2HG   GLU  42          2HG       GLU  42   5.627   8.391   4.719
  322    H    MET  43           H        MET  43   4.564   5.260   2.425
  323    HA   MET  43           HA       MET  43   6.576   4.036   3.613
  324   1HB   MET  43          1HB       MET  43   3.747   3.370   2.962
  325   2HB   MET  43          2HB       MET  43   4.685   2.006   3.300
  326   1HG   MET  43          1HG       MET  43   3.856   2.851   5.418
  327   2HG   MET  43          2HG       MET  43   5.596   3.088   5.326
  328   1HE   MET  43          1HE       MET  43   4.839   4.363   7.551
  329   2HE   MET  43          2HE       MET  43   6.369   4.729   6.706
  330   3HE   MET  43          3HE       MET  43   5.383   6.056   7.356
  331    H    THR  44           H        THR  44   5.174   2.825   0.582
  332    HA   THR  44           HA       THR  44   6.851   0.480   0.855
  333    HB   THR  44           HB       THR  44   4.698   0.182  -0.019
  334    HG1  THR  44           HG1      THR  44   6.815  -0.135  -1.741
  335   1HG2  THR  44          1HG2      THR  44   5.302   2.596  -1.665
  336   2HG2  THR  44          2HG2      THR  44   4.333   1.316  -2.441
  337   3HG2  THR  44          3HG2      THR  44   3.816   2.017  -0.910
  338    H    GLU  45           H        GLU  45   7.881   3.506  -0.112
  339    HA   GLU  45           HA       GLU  45   9.684   4.233  -1.358
  340   1HB   GLU  45          1HB       GLU  45  10.617   1.444  -1.225
  341   2HB   GLU  45          2HB       GLU  45  11.621   2.882  -1.369
  342   1HG   GLU  45          1HG       GLU  45  11.507   3.299   0.948
  343   2HG   GLU  45          2HG       GLU  45  10.067   2.282   1.159
  344    H    HIS  46           H        HIS  46   7.318   3.071  -2.867
  345    HA   HIS  46           HA       HIS  46   8.568   1.377  -4.894
  346   1HB   HIS  46          1HB       HIS  46   6.375   0.756  -3.854
  347   2HB   HIS  46          2HB       HIS  46   5.640   2.167  -4.612
  348    HD1  HIS  46           HD1      HIS  46   4.555   1.560  -6.940
  349    HD2  HIS  46           HD2      HIS  46   7.755  -0.961  -5.840
  350    HE1  HIS  46           HE1      HIS  46   5.134   0.089  -8.972
  351    HA   PRO  47           HA       PRO  47   8.953   4.419  -8.348
  352   1HB   PRO  47          2HB       PRO  47   7.358   2.029  -9.364
  353   2HB   PRO  47          1HB       PRO  47   8.533   3.047 -10.260
  354   1HG   PRO  47          1HG       PRO  47   9.306   0.659  -8.983
  355   2HG   PRO  47          2HG       PRO  47  10.347   2.099  -9.048
  356   1HD   PRO  47          1HD       PRO  47   8.774   0.839  -6.944
  357   2HD   PRO  47          2HD       PRO  47  10.231   1.786  -6.823
  358    H    SER  48           H        SER  48   5.937   2.686  -7.830
  359    HA   SER  48           HA       SER  48   4.527   4.811  -9.235
  360   1HB   SER  48          1HB       SER  48   4.172   1.883  -9.025
  361   2HB   SER  48          2HB       SER  48   2.926   2.844  -9.744
  362    HG   SER  48           HG       SER  48   4.088   3.267 -11.376
  363    H    GLY  49           H        GLY  49   4.861   5.506  -6.820
  364   1HA   GLY  49          2HA       GLY  49   3.795   6.416  -4.909
  365   2HA   GLY  49          1HA       GLY  49   3.474   4.719  -4.548
  366    H    SER  50           H        SER  50   2.143   7.648  -6.040
  367    HA   SER  50           HA       SER  50  -0.609   6.523  -5.847
  368   1HB   SER  50          1HB       SER  50  -0.441   8.641  -4.722
  369   2HB   SER  50          2HB       SER  50   0.359   9.394  -6.123
  370    HG   SER  50           HG       SER  50  -1.486   9.076  -7.299
  371    H    ASP  51           H        ASP  51   0.510   5.045  -7.658
  372    HA   ASP  51           HA       ASP  51  -0.375   6.146 -10.210
  373   1HB   ASP  51          1HB       ASP  51   2.099   6.342 -10.181
  374   2HB   ASP  51          2HB       ASP  51   2.183   4.706  -9.578
  375    H    LEU  52           H        LEU  52   0.810   3.482  -7.990
  376    HA   LEU  52           HA       LEU  52  -0.303   1.252  -9.382
  377   1HB   LEU  52          1HB       LEU  52   0.241   1.936  -6.485
  378   2HB   LEU  52          2HB       LEU  52  -0.365   0.361  -6.954
  379    HG   LEU  52           HG       LEU  52   2.310   1.288  -7.970
  380   1HD1  LEU  52          1HD1      LEU  52   1.366   0.023  -5.366
  381   2HD1  LEU  52          2HD1      LEU  52   3.071   0.035  -5.875
  382   3HD1  LEU  52          3HD1      LEU  52   2.211   1.564  -5.602
  383   1HD2  LEU  52          1HD2      LEU  52   1.151  -1.465  -7.473
  384   2HD2  LEU  52          2HD2      LEU  52   1.369  -0.710  -9.071
  385   3HD2  LEU  52          3HD2      LEU  52   2.784  -1.075  -8.065
  386    H    ILE  53           H        ILE  53  -1.649   3.464  -6.960
  387    HA   ILE  53           HA       ILE  53  -3.401   1.502  -6.014
  388    HB   ILE  53           HB       ILE  53  -3.276   4.396  -5.379
  389   1HG1  ILE  53          2HG1      ILE  53  -1.210   3.468  -4.654
  390   2HG1  ILE  53          1HG1      ILE  53  -2.229   3.272  -3.293
  391   1HG2  ILE  53          1HG2      ILE  53  -4.705   2.055  -4.114
  392   2HG2  ILE  53          2HG2      ILE  53  -4.373   3.607  -3.275
  393   3HG2  ILE  53          3HG2      ILE  53  -5.414   3.578  -4.707
  394   1HD1  ILE  53          1HD1      ILE  53  -2.686   0.999  -3.837
  395   2HD1  ILE  53          2HD1      ILE  53  -1.549   1.114  -5.209
  396   3HD1  ILE  53          3HD1      ILE  53  -0.957   1.367  -3.565
  397    H    TYR  54           H        TYR  54  -3.652   2.659  -8.935
  398    HA   TYR  54           HA       TYR  54  -6.307   2.167  -9.327
  399   1HB   TYR  54          1HB       TYR  54  -6.561   4.760 -10.138
  400   2HB   TYR  54          2HB       TYR  54  -7.345   3.907  -8.786
  401    HD1  TYR  54           HD1      TYR  54  -3.788   5.013  -9.194
  402    HD2  TYR  54           HD2      TYR  54  -7.233   5.256  -6.635
  403    HE1  TYR  54           HE1      TYR  54  -2.550   6.011  -7.725
  404    HE2  TYR  54           HE2      TYR  54  -5.800   6.323  -4.963
  405    HH   TYR  54           HH       TYR  54  -2.734   7.789  -5.639
  406    H    TYR  55           H        TYR  55  -3.421   3.686 -10.472
  407    HA   TYR  55           HA       TYR  55  -4.499   4.274 -13.112
  408   1HB   TYR  55          1HB       TYR  55  -2.850   5.679 -11.697
  409   2HB   TYR  55          2HB       TYR  55  -1.611   4.640 -12.381
  410    HD1  TYR  55           HD1      TYR  55  -4.117   5.196 -14.964
  411    HD2  TYR  55           HD2      TYR  55  -0.826   7.034 -12.861
  412    HE1  TYR  55           HE1      TYR  55  -3.891   6.837 -16.767
  413    HE2  TYR  55           HE2      TYR  55  -0.582   8.682 -14.661
  414    HH   TYR  55           HH       TYR  55  -1.334   9.346 -16.713
  415    HA   PRO  56           HA       PRO  56  -1.518   0.466 -14.432
  416   1HB   PRO  56          1HB       PRO  56  -1.906  -1.517 -12.526
  417   2HB   PRO  56          2HB       PRO  56  -0.464  -0.454 -12.610
  418   1HG   PRO  56          2HG       PRO  56  -3.080   0.247 -11.121
  419   2HG   PRO  56          1HG       PRO  56  -1.470  -0.083 -10.399
  420   1HD   PRO  56          1HD       PRO  56  -2.127   2.270 -10.957
  421   2HD   PRO  56          2HD       PRO  56  -0.616   1.823 -11.786
  422    H    LYS  57           H        LYS  57  -2.652  -1.787 -14.780
  423    HA   LYS  57           HA       LYS  57  -4.703  -3.134 -14.174
  424   1HB   LYS  57          1HB       LYS  57  -5.928  -1.483 -13.516
  425   2HB   LYS  57          2HB       LYS  57  -6.063  -0.682 -15.121
  426   1HG   LYS  57          1HG       LYS  57  -7.656  -2.234 -15.817
  427   2HG   LYS  57          2HG       LYS  57  -7.173  -3.436 -14.590
  428   1HD   LYS  57          1HD       LYS  57  -9.284  -2.203 -14.062
  429   2HD   LYS  57          2HD       LYS  57  -8.063  -2.210 -12.805
  430   1HE   LYS  57          1HE       LYS  57  -8.369   0.184 -14.668
  431   2HE   LYS  57          2HE       LYS  57  -9.376  -0.008 -13.219
  432   1HZ   LYS  57          1HZ       LYS  57  -7.295  -0.120 -11.911
  433   2HZ   LYS  57          2HZ       LYS  57  -6.419   0.237 -13.200
  434   3HZ   LYS  57          3HZ       LYS  57  -7.441   1.352 -12.632
  435    H    GLU  58           H        GLU  58  -3.336  -1.601 -16.749
  436    HA   GLU  58           HA       GLU  58  -4.851  -3.002 -18.707
  437   1HB   GLU  58          1HB       GLU  58  -4.696  -0.595 -18.483
  438   2HB   GLU  58          2HB       GLU  58  -3.024  -0.907 -18.933
  439   1HG   GLU  58          1HG       GLU  58  -4.097   0.066 -20.834
  440   2HG   GLU  58          2HG       GLU  58  -3.711  -1.601 -21.210
  441    H    GLY  59           H        GLY  59  -2.330  -3.504 -17.641
  442   1HA   GLY  59          2HA       GLY  59  -0.304  -4.735 -19.218
  443   2HA   GLY  59          1HA       GLY  59  -1.723  -5.821 -19.120
  444    H    ASP  60           H        ASP  60  -2.431  -4.384 -16.305
  445    HA   ASP  60           HA       ASP  60  -0.367  -5.688 -14.683
  446   1HB   ASP  60          1HB       ASP  60   0.053  -3.098 -15.308
  447   2HB   ASP  60          2HB       ASP  60  -1.264  -2.846 -14.201
  448    H    ASP  61           H        ASP  61  -0.872  -5.493 -12.696
  449    HA   ASP  61           HA       ASP  61  -3.659  -6.220 -12.122
  450   1HB   ASP  61          1HB       ASP  61  -2.531  -8.205 -12.113
  451   2HB   ASP  61          2HB       ASP  61  -1.455  -7.469 -10.948
  452    H    ASP  62           H        ASP  62  -4.221  -4.087 -11.449
  453    HA   ASP  62           HA       ASP  62  -2.908  -2.702  -9.114
  454   1HB   ASP  62          2HB       ASP  62  -4.380  -0.957  -9.811
  455   2HB   ASP  62          1HB       ASP  62  -3.867  -1.685 -11.358
  456    H    SER  63           H        SER  63  -4.986  -5.466  -9.458
  457    HA   SER  63           HA       SER  63  -7.348  -4.695  -8.092
  458   1HB   SER  63          1HB       SER  63  -5.834  -7.282  -7.557
  459   2HB   SER  63          2HB       SER  63  -7.553  -7.004  -7.334
  460    HG   SER  63           HG       SER  63  -6.043  -7.288  -9.688
  461    HA   PRO  64           HA       PRO  64  -6.168  -3.180  -4.232
  462   1HB   PRO  64          2HB       PRO  64  -7.658  -5.401  -2.813
  463   2HB   PRO  64          1HB       PRO  64  -7.589  -3.669  -2.458
  464   1HG   PRO  64          1HG       PRO  64  -9.689  -4.629  -3.882
  465   2HG   PRO  64          2HG       PRO  64  -8.864  -3.160  -4.511
  466   1HD   PRO  64          2HD       PRO  64  -8.403  -6.037  -5.264
  467   2HD   PRO  64          1HD       PRO  64  -8.640  -4.657  -6.372
  468    H    SER  65           H        SER  65  -5.475  -6.311  -4.724
  469    HA   SER  65           HA       SER  65  -3.340  -6.883  -2.859
  470   1HB   SER  65          1HB       SER  65  -3.795  -9.120  -3.860
  471   2HB   SER  65          2HB       SER  65  -5.109  -8.417  -2.848
  472    HG   SER  65           HG       SER  65  -5.025  -8.835  -5.652
  473    H    GLY  66           H        GLY  66  -3.823  -7.018  -6.325
  474   1HA   GLY  66          2HA       GLY  66  -2.655  -6.928  -7.997
  475   2HA   GLY  66          1HA       GLY  66  -1.412  -7.887  -7.216
  476    H    ILE  67           H        ILE  67  -2.871  -4.539  -6.621
  477    HA   ILE  67           HA       ILE  67  -0.497  -3.340  -7.298
  478    HB   ILE  67           HB       ILE  67  -1.167  -1.485  -5.539
  479   1HG1  ILE  67          1HG1      ILE  67  -3.342  -3.467  -5.019
  480   2HG1  ILE  67          2HG1      ILE  67  -2.432  -2.377  -4.125
  481   1HG2  ILE  67          1HG2      ILE  67  -1.718  -1.414  -8.002
  482   2HG2  ILE  67          2HG2      ILE  67  -3.368  -1.870  -7.438
  483   3HG2  ILE  67          3HG2      ILE  67  -2.644  -0.440  -6.820
  484   1HD1  ILE  67          1HD1      ILE  67  -3.849  -0.447  -4.911
  485   2HD1  ILE  67          2HD1      ILE  67  -4.818  -1.593  -5.849
  486   3HD1  ILE  67          3HD1      ILE  67  -4.815  -1.671  -4.120
  487    H    VAL  68           H        VAL  68  -1.368  -4.616  -4.262
  488    HA   VAL  68           HA       VAL  68   1.066  -3.562  -2.920
  489    HB   VAL  68           HB       VAL  68  -0.756  -5.812  -1.900
  490   1HG1  VAL  68          1HG1      VAL  68   1.438  -4.684  -0.613
  491   2HG1  VAL  68          2HG1      VAL  68   0.316  -3.399  -0.305
  492   3HG1  VAL  68          3HG1      VAL  68  -0.078  -4.995   0.313
  493   1HG2  VAL  68          1HG2      VAL  68  -1.253  -2.870  -1.900
  494   2HG2  VAL  68          2HG2      VAL  68  -2.288  -4.200  -2.485
  495   3HG2  VAL  68          3HG2      VAL  68  -2.027  -4.002  -0.759
  496    H    ASN  69           H        ASN  69   0.041  -6.078  -4.796
  497    HA   ASN  69           HA       ASN  69   2.255  -7.975  -4.519
  498   1HB   ASN  69          1HB       ASN  69  -0.069  -8.121  -5.593
  499   2HB   ASN  69          2HB       ASN  69   1.102  -8.060  -6.943
  500   2HD2  ASN  69          2HD2      ASN  69  -0.548 -10.141  -4.974
  501   1HD2  ASN  69          1HD2      ASN  69   0.612 -11.471  -4.899
  502    H    THR  70           H        THR  70   1.553  -5.295  -6.832
  503    HA   THR  70           HA       THR  70   3.615  -6.026  -8.308
  504    HB   THR  70           HB       THR  70   2.511  -3.242  -7.823
  505    HG1  THR  70           HG1      THR  70   1.322  -4.170  -9.932
  506   1HG2  THR  70          1HG2      THR  70   3.838  -4.316 -10.375
  507   2HG2  THR  70          2HG2      THR  70   3.026  -2.745 -10.246
  508   3HG2  THR  70          3HG2      THR  70   4.499  -3.052  -9.307
  509    H    VAL  71           H        VAL  71   3.326  -4.106  -5.474
  510    HA   VAL  71           HA       VAL  71   5.980  -3.050  -5.127
  511    HB   VAL  71           HB       VAL  71   3.578  -3.594  -3.276
  512   1HG1  VAL  71          1HG1      VAL  71   6.305  -2.823  -2.384
  513   2HG1  VAL  71          2HG1      VAL  71   4.780  -2.707  -1.443
  514   3HG1  VAL  71          3HG1      VAL  71   5.400  -4.303  -1.919
  515   1HG2  VAL  71          1HG2      VAL  71   5.316  -1.303  -4.123
  516   2HG2  VAL  71          2HG2      VAL  71   3.729  -1.743  -4.806
  517   3HG2  VAL  71          3HG2      VAL  71   3.844  -1.215  -3.098
  518    H    LYS  72           H        LYS  72   4.254  -5.996  -4.130
  519    HA   LYS  72           HA       LYS  72   6.511  -7.125  -2.952
  520   1HB   LYS  72          1HB       LYS  72   3.858  -8.000  -3.499
  521   2HB   LYS  72          2HB       LYS  72   4.906  -9.309  -4.021
  522   1HG   LYS  72          1HG       LYS  72   4.747  -9.617  -1.671
  523   2HG   LYS  72          2HG       LYS  72   6.250  -8.687  -1.779
  524   1HD   LYS  72          2HD       LYS  72   5.331  -7.090  -0.610
  525   2HD   LYS  72          1HD       LYS  72   4.269  -6.702  -1.855
  526   1HE   LYS  72          1HE       LYS  72   2.831  -8.798  -1.216
  527   2HE   LYS  72          2HE       LYS  72   3.593  -8.616   0.366
  528   1HZ   LYS  72          1HZ       LYS  72   2.113  -6.518  -1.108
  529   2HZ   LYS  72          2HZ       LYS  72   1.451  -7.420   0.125
  530   3HZ   LYS  72          3HZ       LYS  72   2.692  -6.384   0.429
  531    H    GLN  73           H        GLN  73   6.303  -6.572  -5.954
  532    HA   GLN  73           HA       GLN  73   8.150  -8.501  -6.756
  533   1HB   GLN  73          1HB       GLN  73   6.236  -6.976  -8.531
  534   2HB   GLN  73          2HB       GLN  73   7.426  -8.170  -9.124
  535   1HG   GLN  73          1HG       GLN  73   6.522  -9.761  -7.373
  536   2HG   GLN  73          2HG       GLN  73   5.366  -8.714  -6.950
  537   2HE2  GLN  73          2HE2      GLN  73   3.463  -9.156  -7.511
  538   1HE2  GLN  73          1HE2      GLN  73   2.934  -9.686  -9.108
  539    H    TRP  74           H        TRP  74   7.626  -5.086  -6.916
  540    HA   TRP  74           HA       TRP  74  10.201  -4.226  -7.860
  541   1HB   TRP  74          1HB       TRP  74   8.127  -2.925  -7.856
  542   2HB   TRP  74          2HB       TRP  74   8.535  -2.679  -6.145
  543    HD1  TRP  74           HD1      TRP  74   9.759  -2.079  -9.639
  544    HE1  TRP  74           HE1      TRP  74  11.825  -0.555  -9.768
  545    HE3  TRP  74           HE3      TRP  74  10.169  -1.194  -4.746
  546    HZ2  TRP  74           HZ2      TRP  74  13.458   0.921  -7.848
  547    HZ3  TRP  74           HZ3      TRP  74  11.732   0.429  -3.936
  548    HH2  TRP  74           HH2      TRP  74  13.477   1.488  -5.419
  549    H    ARG  75           H        ARG  75   8.725  -4.125  -4.623
  550    HA   ARG  75           HA       ARG  75  11.087  -3.899  -3.061
  551   1HB   ARG  75          1HB       ARG  75   8.165  -4.731  -2.442
  552   2HB   ARG  75          2HB       ARG  75   9.351  -4.973  -1.268
  553   1HG   ARG  75          1HG       ARG  75  10.066  -2.460  -1.735
  554   2HG   ARG  75          2HG       ARG  75   8.480  -2.319  -2.459
  555   1HD   ARG  75          1HD       ARG  75   7.615  -2.053  -0.386
  556   2HD   ARG  75          2HD       ARG  75   8.168  -3.682   0.041
  557    HE   ARG  75           HE       ARG  75  10.003  -1.322   0.339
  558   1HH1  ARG  75          1HH1      ARG  75   7.960  -3.782   1.965
  559   2HH1  ARG  75          2HH1      ARG  75   8.456  -3.234   3.517
  560   1HH2  ARG  75          1HH2      ARG  75  10.797  -0.906   2.278
  561   2HH2  ARG  75          2HH2      ARG  75  10.159  -1.651   3.744
  562    H    ALA  76           H        ALA  76  10.124  -6.576  -4.899
  563    HA   ALA  76           HA       ALA  76  11.610  -8.389  -3.097
  564   1HB   ALA  76          1HB       ALA  76   9.635  -9.178  -5.224
  565   2HB   ALA  76          3HB       ALA  76  10.503 -10.302  -4.170
  566   3HB   ALA  76          2HB       ALA  76   9.339  -9.173  -3.453
  567    H    ALA  77           H        ALA  77  11.596  -6.979  -6.071
  568    HA   ALA  77           HA       ALA  77  13.620  -8.758  -7.318
  569   1HB   ALA  77          1HB       ALA  77  11.861  -7.797  -8.780
  570   2HB   ALA  77          3HB       ALA  77  12.259  -6.157  -8.221
  571   3HB   ALA  77          2HB       ALA  77  13.426  -7.051  -9.210
  572    H    ASN  78           H        ASN  78  13.119  -5.572  -6.122
  573    HA   ASN  78           HA       ASN  78  15.882  -4.758  -6.085
  574   1HB   ASN  78          1HB       ASN  78  13.394  -3.470  -6.266
  575   2HB   ASN  78          2HB       ASN  78  13.609  -3.458  -4.619
  576   2HD2  ASN  78          2HD2      ASN  78  15.362  -2.626  -7.663
  577   1HD2  ASN  78          1HD2      ASN  78  16.193  -1.237  -6.965
  578    H    GLY  79           H        GLY  79  13.987  -6.798  -4.554
  579   1HA   GLY  79          2HA       GLY  79  16.110  -7.534  -2.728
  580   2HA   GLY  79          1HA       GLY  79  14.555  -8.367  -2.849
  581    H    LYS  80           H        LYS  80  13.521  -5.592  -2.391
  582    HA   LYS  80           HA       LYS  80  14.239  -4.082  -0.339
  583   1HB   LYS  80          1HB       LYS  80  11.455  -4.257  -0.840
  584   2HB   LYS  80          2HB       LYS  80  12.365  -3.036   0.071
  585   1HG   LYS  80          1HG       LYS  80  14.097  -3.377  -2.048
  586   2HG   LYS  80          2HG       LYS  80  12.827  -3.713  -2.850
  587   1HD   LYS  80          1HD       LYS  80  13.712  -1.603  -1.471
  588   2HD   LYS  80          2HD       LYS  80  13.672  -1.842  -3.118
  589   1HE   LYS  80          1HE       LYS  80  11.534  -1.108  -2.987
  590   2HE   LYS  80          2HE       LYS  80  11.480  -1.154  -1.225
  591   1HZ   LYS  80          1HZ       LYS  80  13.492   0.557  -2.531
  592   2HZ   LYS  80          2HZ       LYS  80  12.041   1.173  -2.055
  593   3HZ   LYS  80          3HZ       LYS  80  13.039   0.544  -0.939
  594    H    SER  81           H        SER  81  11.943  -6.454   0.204
  595    HA   SER  81           HA       SER  81  11.274  -7.914   1.941
  596   1HB   SER  81          1HB       SER  81  13.500  -7.117   3.258
  597   2HB   SER  81          2HB       SER  81  12.459  -8.500   3.639
  598    HG   SER  81           HG       SER  81  14.149  -8.165   1.344
  599    H    GLY  82           H        GLY  82  12.186  -6.372   4.309
  600   1HA   GLY  82          2HA       GLY  82  11.290  -3.712   3.934
  601   2HA   GLY  82          1HA       GLY  82  11.734  -4.407   5.536
  602    H    PHE  83           H        PHE  83   9.463  -6.336   5.153
  603    HA   PHE  83           HA       PHE  83   7.609  -4.645   6.636
  604   1HB   PHE  83          1HB       PHE  83   7.109  -7.241   5.106
  605   2HB   PHE  83          2HB       PHE  83   6.037  -6.534   6.183
  606    HD1  PHE  83           HD1      PHE  83   4.499  -4.589   5.695
  607    HD2  PHE  83           HD2      PHE  83   7.317  -6.427   3.061
  608    HE1  PHE  83           HE1      PHE  83   3.572  -3.422   3.917
  609    HE2  PHE  83           HE2      PHE  83   6.381  -5.299   1.136
  610    HZ   PHE  83           HZ       PHE  83   4.471  -3.657   1.480
  611    H    LYS  84           H        LYS  84   6.499  -6.326   7.782
  612    HA   LYS  84           HA       LYS  84   7.634  -7.913   9.779
  613   1HB   LYS  84          1HB       LYS  84   6.300  -5.850   9.988
  614   2HB   LYS  84          2HB       LYS  84   5.075  -6.932   9.413
  615   1HG   LYS  84          1HG       LYS  84   5.133  -8.346  11.270
  616   2HG   LYS  84          2HG       LYS  84   6.718  -7.739  11.818
  617   1HD   LYS  84          1HD       LYS  84   5.906  -5.710  12.468
  618   2HD   LYS  84          2HD       LYS  84   4.458  -5.807  11.446
  619   1HE   LYS  84          1HE       LYS  84   4.840  -7.573  13.863
  620   2HE   LYS  84          2HE       LYS  84   4.043  -5.969  13.913
  621   1HZ   LYS  84          1HZ       LYS  84   2.498  -6.915  12.154
  622   2HZ   LYS  84          2HZ       LYS  84   3.162  -8.405  12.520
  623   3HZ   LYS  84          3HZ       LYS  84   2.362  -7.653  13.633
  624    H    GLN  85           H        GLN  85   5.830  -9.464  10.062
  625    HA   GLN  85           HA       GLN  85   5.270 -11.130   7.684
  626   1HB   GLN  85          1HB       GLN  85   7.328 -11.677   9.017
  627   2HB   GLN  85          2HB       GLN  85   6.075 -12.923   9.246
  628   1HG   GLN  85          1HG       GLN  85   5.962 -13.327   6.888
  629   2HG   GLN  85          2HG       GLN  85   6.946 -11.897   6.545
  630   2HE2  GLN  85          2HE2      GLN  85   8.912 -12.499   5.764
  631   1HE2  GLN  85          1HE2      GLN  85   9.853 -13.848   6.397
  632    H    GLY  86           H        GLY  86   5.108 -11.381  11.152
  633   1HA   GLY  86          2HA       GLY  86   3.155 -12.640  12.158
  634   2HA   GLY  86          1HA       GLY  86   2.173 -11.645  11.044

  No H/Q in entry =         634
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -1.548  -1.315  16.148
    2    H2   MET   1           H2       MET   1  -2.608  -0.019  16.379
    3    H3   MET   1           H3       MET   1  -3.030  -1.262  15.419
    4    HA   MET   1           HA       MET   1  -2.497   0.553  14.158
    5   1HB   MET   1          1HB       MET   1  -0.133   0.686  15.897
    6   2HB   MET   1          2HB       MET   1   0.264   0.784  14.186
    7   1HG   MET   1          1HG       MET   1  -0.165   3.025  14.899
    8   2HG   MET   1          2HG       MET   1  -1.513   2.526  13.891
    9   1HE   MET   1          1HE       MET   1  -2.946   4.505  14.709
   10   2HE   MET   1          2HE       MET   1  -3.906   3.015  14.544
   11   3HE   MET   1          3HE       MET   1  -4.168   4.089  15.933
   12    H    GLU   2           H        GLU   2  -1.182  -1.878  11.765
   13    HA   GLU   2           HA       GLU   2  -3.293  -1.159  10.908
   14   1HB   GLU   2          1HB       GLU   2  -3.004   1.298  12.640
   15   2HB   GLU   2          2HB       GLU   2  -3.876   1.244  11.166
   16   1HG   GLU   2          2HG       GLU   2  -5.562   0.968  12.701
   17   2HG   GLU   2          1HG       GLU   2  -5.312  -0.638  12.005
   18    H    LEU   3           H        LEU   3  -1.021   1.489  11.545
   19    HA   LEU   3           HA       LEU   3  -0.067   1.683   9.039
   20   1HB   LEU   3          1HB       LEU   3  -1.534   3.739  10.752
   21   2HB   LEU   3          2HB       LEU   3  -0.162   4.205   9.760
   22    HG   LEU   3           HG       LEU   3  -2.977   3.573   8.860
   23   1HD1  LEU   3          1HD1      LEU   3  -0.790   5.601   8.120
   24   2HD1  LEU   3          2HD1      LEU   3  -2.436   5.608   7.483
   25   3HD1  LEU   3          3HD1      LEU   3  -2.165   5.890   9.197
   26   1HD2  LEU   3          1HD2      LEU   3  -0.551   2.745   7.349
   27   2HD2  LEU   3          2HD2      LEU   3  -2.113   1.985   7.533
   28   3HD2  LEU   3          3HD2      LEU   3  -1.962   3.415   6.498
   29    H    LYS   4           H        LYS   4   1.954   3.000   9.425
   30    HA   LYS   4           HA       LYS   4   2.928   2.332  12.036
   31   1HB   LYS   4          1HB       LYS   4   2.784   0.505   9.911
   32   2HB   LYS   4          2HB       LYS   4   4.459   1.050  10.048
   33   1HG   LYS   4          1HG       LYS   4   4.190  -0.856  11.380
   34   2HG   LYS   4          2HG       LYS   4   4.347   0.545  12.480
   35   1HD   LYS   4          1HD       LYS   4   2.112   0.506  12.993
   36   2HD   LYS   4          2HD       LYS   4   1.668  -0.626  11.708
   37   1HE   LYS   4          1HE       LYS   4   3.500  -1.474  13.970
   38   2HE   LYS   4          2HE       LYS   4   1.762  -1.284  14.253
   39   1HZ   LYS   4          1HZ       LYS   4   1.424  -2.819  12.321
   40   2HZ   LYS   4          2HZ       LYS   4   3.017  -3.199  12.422
   41   3HZ   LYS   4          3HZ       LYS   4   2.007  -3.504  13.666
   42    H    HIS   5           H        HIS   5   5.358   2.505  11.679
   43    HA   HIS   5           HA       HIS   5   6.008   5.210  10.673
   44   1HB   HIS   5          2HB       HIS   5   8.299   3.587  11.595
   45   2HB   HIS   5          1HB       HIS   5   7.819   5.208  12.048
   46    HD1  HIS   5           HD1      HIS   5   5.805   5.244  14.057
   47    HD2  HIS   5           HD2      HIS   5   7.530   1.581  12.969
   48    HE1  HIS   5           HE1      HIS   5   4.941   3.525  15.758
   49    H    SER   6           H        SER   6   6.434   2.028  10.056
   50    HA   SER   6           HA       SER   6   7.601   2.356   7.438
   51   1HB   SER   6          1HB       SER   6   8.686   0.176   8.450
   52   2HB   SER   6          2HB       SER   6   9.325   1.835   8.534
   53    HG   SER   6           HG       SER   6   9.387   0.730  10.610
   54    H    ILE   7           H        ILE   7   7.464   0.838   6.056
   55    HA   ILE   7           HA       ILE   7   5.496  -1.196   5.885
   56    HB   ILE   7           HB       ILE   7   6.573   0.001   4.109
   57   1HG1  ILE   7          1HG1      ILE   7   7.204  -2.931   3.726
   58   2HG1  ILE   7          2HG1      ILE   7   5.551  -2.292   3.925
   59   1HG2  ILE   7          1HG2      ILE   7   8.929   0.147   4.960
   60   2HG2  ILE   7          2HG2      ILE   7   9.141  -1.587   4.597
   61   3HG2  ILE   7          3HG2      ILE   7   8.852  -0.392   3.315
   62   1HD1  ILE   7          1HD1      ILE   7   5.897  -0.762   2.112
   63   2HD1  ILE   7          2HD1      ILE   7   7.565  -1.348   1.906
   64   3HD1  ILE   7          3HD1      ILE   7   6.203  -2.463   1.600
   65    H    SER   8           H        SER   8   7.482  -1.165   8.204
   66    HA   SER   8           HA       SER   8   8.535  -3.804   8.114
   67   1HB   SER   8          1HB       SER   8  10.023  -3.075   7.299
   68   2HB   SER   8          2HB       SER   8   9.699  -1.541   7.676
   69    HG   SER   8           HG       SER   8  10.905  -3.320   9.521
   70    H    ASP   9           H        ASP   9   7.119  -1.117  10.062
   71    HA   ASP   9           HA       ASP   9   7.478  -3.017  12.290
   72   1HB   ASP   9          1HB       ASP   9   6.467  -0.190  12.430
   73   2HB   ASP   9          2HB       ASP   9   5.309  -1.254  13.093
   74    H    TYR  10           H        TYR  10   5.923  -3.153   9.552
   75    HA   TYR  10           HA       TYR  10   3.449  -4.247  10.639
   76   1HB   TYR  10          1HB       TYR  10   2.584  -2.250  10.205
   77   2HB   TYR  10          2HB       TYR  10   4.022  -1.692   9.419
   78    HD1  TYR  10           HD1      TYR  10   4.329  -2.921   6.917
   79    HD2  TYR  10           HD2      TYR  10   0.772  -1.541   8.973
   80    HE1  TYR  10           HE1      TYR  10   3.430  -2.019   4.799
   81    HE2  TYR  10           HE2      TYR  10  -0.151  -0.774   6.863
   82    HH   TYR  10           HH       TYR  10   0.646   0.192   4.840
   83    H    THR  11           H        THR  11   2.381  -5.662   9.338
   84    HA   THR  11           HA       THR  11   4.380  -7.345   8.043
   85    HB   THR  11           HB       THR  11   3.319  -9.005   8.780
   86    HG1  THR  11           HG1      THR  11   0.915  -9.205   8.635
   87   1HG2  THR  11          1HG2      THR  11   2.937  -7.641  10.787
   88   2HG2  THR  11          2HG2      THR  11   1.360  -7.121  10.156
   89   3HG2  THR  11          3HG2      THR  11   1.603  -8.789  10.567
   90    H    GLU  12           H        GLU  12   3.362  -8.736   6.008
   91    HA   GLU  12           HA       GLU  12   2.984  -6.791   3.899
   92   1HB   GLU  12          1HB       GLU  12   3.950  -9.080   3.480
   93   2HB   GLU  12          2HB       GLU  12   2.349  -9.770   3.836
   94   1HG   GLU  12          1HG       GLU  12   1.413  -8.119   2.035
   95   2HG   GLU  12          2HG       GLU  12   3.039  -7.735   1.684
   96    H    ALA  13           H        ALA  13   0.900  -8.544   5.936
   97    HA   ALA  13           HA       ALA  13  -1.474  -8.510   4.156
   98   1HB   ALA  13          1HB       ALA  13  -1.170 -10.495   5.615
   99   2HB   ALA  13          3HB       ALA  13  -1.186  -9.441   7.054
  100   3HB   ALA  13          2HB       ALA  13  -2.638  -9.593   6.046
  101    H    GLU  14           H        GLU  14   0.101  -6.884   6.779
  102    HA   GLU  14           HA       GLU  14  -1.936  -5.142   7.621
  103   1HB   GLU  14          1HB       GLU  14   0.557  -5.898   8.478
  104   2HB   GLU  14          2HB       GLU  14   0.976  -4.363   7.713
  105   1HG   GLU  14          1HG       GLU  14  -0.798  -3.246   8.874
  106   2HG   GLU  14          2HG       GLU  14  -1.290  -4.804   9.633
  107    H    PHE  15           H        PHE  15   0.443  -4.996   5.002
  108    HA   PHE  15           HA       PHE  15  -0.324  -2.248   4.253
  109   1HB   PHE  15          1HB       PHE  15   1.917  -3.555   3.768
  110   2HB   PHE  15          2HB       PHE  15   1.056  -4.329   2.464
  111    HD1  PHE  15           HD1      PHE  15  -0.268  -1.018   2.487
  112    HD2  PHE  15           HD2      PHE  15   3.338  -3.171   1.541
  113    HE1  PHE  15           HE1      PHE  15   0.682   0.970   1.509
  114    HE2  PHE  15           HE2      PHE  15   4.167  -1.259   0.301
  115    HZ   PHE  15           HZ       PHE  15   2.892   0.917   0.381
  116    H    LEU  16           H        LEU  16  -1.014  -5.681   3.453
  117    HA   LEU  16           HA       LEU  16  -2.282  -4.879   1.005
  118   1HB   LEU  16          1HB       LEU  16  -1.396  -7.103   1.587
  119   2HB   LEU  16          2HB       LEU  16  -2.755  -7.342   2.692
  120    HG   LEU  16           HG       LEU  16  -4.322  -7.574   1.059
  121   1HD1  LEU  16          1HD1      LEU  16  -3.779  -5.586  -0.417
  122   2HD1  LEU  16          2HD1      LEU  16  -2.545  -6.588  -1.200
  123   3HD1  LEU  16          3HD1      LEU  16  -4.291  -7.021  -1.207
  124   1HD2  LEU  16          1HD2      LEU  16  -2.586  -9.463   0.858
  125   2HD2  LEU  16          2HD2      LEU  16  -3.323  -9.166  -0.719
  126   3HD2  LEU  16          3HD2      LEU  16  -1.692  -8.540  -0.355
  127    H    GLN  17           H        GLN  17  -3.527  -5.228   4.213
  128    HA   GLN  17           HA       GLN  17  -6.111  -5.021   3.639
  129   1HB   GLN  17          2HB       GLN  17  -6.644  -4.577   5.968
  130   2HB   GLN  17          1HB       GLN  17  -5.584  -6.010   5.729
  131   1HG   GLN  17          1HG       GLN  17  -3.689  -4.503   6.054
  132   2HG   GLN  17          2HG       GLN  17  -4.841  -3.215   6.487
  133   2HE2  GLN  17          2HE2      GLN  17  -3.643  -2.998   8.522
  134   1HE2  GLN  17          1HE2      GLN  17  -4.013  -4.125   9.828
  135    H    LEU  18           H        LEU  18  -3.492  -2.806   4.111
  136    HA   LEU  18           HA       LEU  18  -5.040  -0.560   4.862
  137   1HB   LEU  18          1HB       LEU  18  -2.537  -0.909   5.230
  138   2HB   LEU  18          2HB       LEU  18  -2.284  -0.697   3.505
  139    HG   LEU  18           HG       LEU  18  -3.042   1.335   5.543
  140   1HD1  LEU  18          1HD1      LEU  18  -0.704   0.995   3.648
  141   2HD1  LEU  18          2HD1      LEU  18  -0.975   2.443   4.610
  142   3HD1  LEU  18          3HD1      LEU  18  -0.726   0.911   5.449
  143   1HD2  LEU  18          1HD2      LEU  18  -3.008   1.705   2.526
  144   2HD2  LEU  18          2HD2      LEU  18  -4.365   2.040   3.642
  145   3HD2  LEU  18          3HD2      LEU  18  -2.937   3.055   3.674
  146    H    VAL  19           H        VAL  19  -3.711  -1.908   1.949
  147    HA   VAL  19           HA       VAL  19  -4.134   0.186  -0.183
  148    HB   VAL  19           HB       VAL  19  -3.830  -2.790  -0.121
  149   1HG1  VAL  19          1HG1      VAL  19  -4.098  -0.754  -2.375
  150   2HG1  VAL  19          2HG1      VAL  19  -3.648  -2.460  -2.550
  151   3HG1  VAL  19          3HG1      VAL  19  -5.243  -2.074  -2.035
  152   1HG2  VAL  19          1HG2      VAL  19  -2.069  -0.670   0.413
  153   2HG2  VAL  19          2HG2      VAL  19  -1.591  -2.206  -0.219
  154   3HG2  VAL  19          3HG2      VAL  19  -1.961  -0.855  -1.340
  155    H    THR  20           H        THR  20  -5.825  -2.645   1.255
  156    HA   THR  20           HA       THR  20  -8.214  -2.795  -0.269
  157    HB   THR  20           HB       THR  20  -6.767  -3.950   2.007
  158    HG1  THR  20           HG1      THR  20  -6.435  -4.859   0.150
  159   1HG2  THR  20          1HG2      THR  20  -8.610  -3.924   3.305
  160   2HG2  THR  20          2HG2      THR  20  -9.568  -4.771   2.037
  161   3HG2  THR  20          3HG2      THR  20  -8.154  -5.548   2.819
  162    H    THR  21           H        THR  21  -7.502  -1.209   2.946
  163    HA   THR  21           HA       THR  21 -10.085  -0.214   3.538
  164    HB   THR  21           HB       THR  21  -7.244   0.105   4.250
  165    HG1  THR  21           HG1      THR  21  -9.577  -0.059   5.857
  166   1HG2  THR  21          1HG2      THR  21  -9.020   2.505   4.732
  167   2HG2  THR  21          2HG2      THR  21  -7.476   2.155   5.544
  168   3HG2  THR  21          3HG2      THR  21  -7.518   2.425   3.807
  169    H    ILE  22           H        ILE  22  -7.674   0.775   1.124
  170    HA   ILE  22           HA       ILE  22  -8.868   3.405   0.755
  171    HB   ILE  22           HB       ILE  22  -6.775   2.328  -1.127
  172   1HG1  ILE  22          1HG1      ILE  22  -6.318   2.889   1.791
  173   2HG1  ILE  22          2HG1      ILE  22  -5.597   1.696   0.679
  174   1HG2  ILE  22          1HG2      ILE  22  -7.953   4.537  -1.345
  175   2HG2  ILE  22          2HG2      ILE  22  -7.139   5.051   0.150
  176   3HG2  ILE  22          3HG2      ILE  22  -6.200   4.605  -1.303
  177   1HD1  ILE  22          1HD1      ILE  22  -4.332   3.466  -0.413
  178   2HD1  ILE  22          2HD1      ILE  22  -5.033   4.600   0.781
  179   3HD1  ILE  22          3HD1      ILE  22  -3.972   3.301   1.325
  180    H    CYS  23           H        CYS  23  -8.304   0.388  -1.083
  181    HA   CYS  23           HA       CYS  23 -10.187   0.908  -3.161
  182   1HB   CYS  23          2HB       CYS  23  -9.397  -1.819  -1.973
  183   2HB   CYS  23          1HB       CYS  23 -10.169  -1.508  -3.504
  184    HG   CYS  23           HG       CYS  23  -8.193  -0.048  -4.539
  185    H    ASN  24           H        ASN  24 -10.575   0.514   0.250
  186    HA   ASN  24           HA       ASN  24 -13.513  -0.104  -0.259
  187   1HB   ASN  24          1HB       ASN  24 -12.390  -1.702   1.178
  188   2HB   ASN  24          2HB       ASN  24 -12.081  -0.444   2.369
  189   2HD2  ASN  24          2HD2      ASN  24 -13.725  -0.669   4.168
  190   1HD2  ASN  24          1HD2      ASN  24 -15.341  -1.070   3.728
  191    H    ALA  25           H        ALA  25 -11.563   2.551   1.017
  192    HA   ALA  25           HA       ALA  25 -12.146   4.665   1.749
  193   1HB   ALA  25          1HB       ALA  25 -14.785   4.058   0.256
  194   2HB   ALA  25          3HB       ALA  25 -14.320   5.638   0.859
  195   3HB   ALA  25          2HB       ALA  25 -13.365   4.870  -0.430
  196    H    ASP  26           H        ASP  26 -12.372   2.442   3.127
  197    HA   ASP  26           HA       ASP  26 -14.120   1.867   5.155
  198   1HB   ASP  26          1HB       ASP  26 -12.260   0.896   4.029
  199   2HB   ASP  26          2HB       ASP  26 -11.150   1.805   5.026
  200    H    THR  27           H        THR  27 -13.188   4.613   4.713
  201    HA   THR  27           HA       THR  27 -11.866   5.550   7.222
  202    HB   THR  27           HB       THR  27 -10.486   6.779   6.055
  203    HG1  THR  27           HG1      THR  27 -12.118   6.528   3.759
  204   1HG2  THR  27          1HG2      THR  27  -9.962   4.457   5.582
  205   2HG2  THR  27          2HG2      THR  27 -10.868   4.550   4.049
  206   3HG2  THR  27          3HG2      THR  27  -9.442   5.565   4.296
  207    H    SER  28           H        SER  28 -11.645   8.211   6.839
  208    HA   SER  28           HA       SER  28 -14.051   9.311   7.848
  209   1HB   SER  28          1HB       SER  28 -12.883  11.425   7.329
  210   2HB   SER  28          2HB       SER  28 -11.878  10.241   8.265
  211    HG   SER  28           HG       SER  28 -10.741  11.280   6.657
  212    H    SER  29           H        SER  29 -12.886   8.606   4.811
  213    HA   SER  29           HA       SER  29 -14.616   7.819   3.307
  214   1HB   SER  29          1HB       SER  29 -16.321   8.821   4.781
  215   2HB   SER  29          2HB       SER  29 -16.044  10.073   3.535
  216    HG   SER  29           HG       SER  29 -16.550   8.475   1.968
  217    H    GLU  30           H        GLU  30 -12.715  10.304   3.181
  218    HA   GLU  30           HA       GLU  30 -12.525   9.811   0.532
  219   1HB   GLU  30          1HB       GLU  30 -14.375  11.647   0.461
  220   2HB   GLU  30          2HB       GLU  30 -13.196  12.767   1.121
  221   1HG   GLU  30          1HG       GLU  30 -11.905  12.652  -0.998
  222   2HG   GLU  30          2HG       GLU  30 -13.050  11.461  -1.629
  223    H    GLU  31           H        GLU  31 -11.425  11.118   3.321
  224    HA   GLU  31           HA       GLU  31  -9.267  12.595   2.406
  225   1HB   GLU  31          1HB       GLU  31 -11.237  13.002   3.861
  226   2HB   GLU  31          2HB       GLU  31 -10.479  11.934   4.669
  227   1HG   GLU  31          1HG       GLU  31  -8.630  14.058   4.350
  228   2HG   GLU  31          2HG       GLU  31 -10.173  14.558   5.123
  229    H    GLU  32           H        GLU  32  -9.697  10.697   5.025
  230    HA   GLU  32           HA       GLU  32  -7.223   9.452   5.721
  231   1HB   GLU  32          1HB       GLU  32  -9.904   8.648   5.783
  232   2HB   GLU  32          2HB       GLU  32  -8.618   7.484   6.121
  233   1HG   GLU  32          1HG       GLU  32  -9.060  10.125   7.493
  234   2HG   GLU  32          2HG       GLU  32  -9.389   8.515   8.126
  235    H    LEU  33           H        LEU  33  -9.490   8.965   3.050
  236    HA   LEU  33           HA       LEU  33  -8.267   6.632   2.016
  237   1HB   LEU  33          1HB       LEU  33 -10.081   8.826   1.034
  238   2HB   LEU  33          2HB       LEU  33  -9.388   7.802  -0.202
  239    HG   LEU  33           HG       LEU  33 -10.274   6.381   2.305
  240   1HD1  LEU  33          1HD1      LEU  33 -11.927   8.171   2.003
  241   2HD1  LEU  33          2HD1      LEU  33 -12.358   7.559   0.382
  242   3HD1  LEU  33          3HD1      LEU  33 -12.669   6.627   1.867
  243   1HD2  LEU  33          1HD2      LEU  33  -9.381   5.618  -0.138
  244   2HD2  LEU  33          2HD2      LEU  33 -10.560   4.634   0.635
  245   3HD2  LEU  33          3HD2      LEU  33 -11.061   5.788  -0.621
  246    H    VAL  34           H        VAL  34  -7.957   9.942   0.677
  247    HA   VAL  34           HA       VAL  34  -5.678   9.561  -0.915
  248    HB   VAL  34           HB       VAL  34  -7.140  11.669   0.407
  249   1HG1  VAL  34          1HG1      VAL  34  -4.559  12.277  -1.105
  250   2HG1  VAL  34          2HG1      VAL  34  -5.788  13.494  -0.683
  251   3HG1  VAL  34          3HG1      VAL  34  -4.899  12.664   0.597
  252   1HG2  VAL  34          1HG2      VAL  34  -7.966  10.699  -1.661
  253   2HG2  VAL  34          2HG2      VAL  34  -7.585  12.413  -1.885
  254   3HG2  VAL  34          3HG2      VAL  34  -6.462  11.168  -2.495
  255    H    LYS  35           H        LYS  35  -5.971   9.922   2.473
  256    HA   LYS  35           HA       LYS  35  -3.169  10.612   3.051
  257   1HB   LYS  35          1HB       LYS  35  -5.024  11.673   4.061
  258   2HB   LYS  35          2HB       LYS  35  -5.727  10.097   4.460
  259   1HG   LYS  35          1HG       LYS  35  -4.099   9.619   5.997
  260   2HG   LYS  35          2HG       LYS  35  -3.238  11.141   5.721
  261   1HD   LYS  35          1HD       LYS  35  -5.264  12.458   6.169
  262   2HD   LYS  35          2HD       LYS  35  -6.199  11.000   6.397
  263   1HE   LYS  35          1HE       LYS  35  -4.904  10.526   8.467
  264   2HE   LYS  35          2HE       LYS  35  -4.210  12.172   8.303
  265   1HZ   LYS  35          1HZ       LYS  35  -6.831  12.637   7.942
  266   2HZ   LYS  35          2HZ       LYS  35  -6.914  11.281   8.857
  267   3HZ   LYS  35          3HZ       LYS  35  -6.172  12.588   9.483
  268    H    LEU  36           H        LEU  36  -5.267   7.645   3.124
  269    HA   LEU  36           HA       LEU  36  -3.154   5.987   3.974
  270   1HB   LEU  36          1HB       LEU  36  -6.028   5.693   2.931
  271   2HB   LEU  36          2HB       LEU  36  -5.101   4.273   3.247
  272    HG   LEU  36           HG       LEU  36  -5.372   6.389   5.338
  273   1HD1  LEU  36          1HD1      LEU  36  -7.392   4.584   4.440
  274   2HD1  LEU  36          2HD1      LEU  36  -6.924   4.187   6.128
  275   3HD1  LEU  36          3HD1      LEU  36  -7.426   5.809   5.716
  276   1HD2  LEU  36          1HD2      LEU  36  -3.522   4.862   5.693
  277   2HD2  LEU  36          2HD2      LEU  36  -4.774   4.786   6.935
  278   3HD2  LEU  36          3HD2      LEU  36  -4.679   3.495   5.701
  279    H    VAL  37           H        VAL  37  -4.474   7.309   0.758
  280    HA   VAL  37           HA       VAL  37  -3.037   5.609  -0.718
  281    HB   VAL  37           HB       VAL  37  -3.452   6.842  -2.388
  282   1HG1  VAL  37          1HG1      VAL  37  -5.766   6.792  -0.994
  283   2HG1  VAL  37          2HG1      VAL  37  -5.785   8.023  -2.276
  284   3HG1  VAL  37          3HG1      VAL  37  -5.376   6.366  -2.628
  285   1HG2  VAL  37          1HG2      VAL  37  -2.213   8.869  -2.140
  286   2HG2  VAL  37          2HG2      VAL  37  -3.519   8.768  -3.299
  287   3HG2  VAL  37          3HG2      VAL  37  -3.777   9.633  -1.808
  288    H    THR  38           H        THR  38  -2.201   8.727   0.712
  289    HA   THR  38           HA       THR  38   0.431   8.862  -0.220
  290    HB   THR  38           HB       THR  38  -1.279  10.390   1.079
  291    HG1  THR  38           HG1      THR  38   0.417  10.640  -0.816
  292   1HG2  THR  38          1HG2      THR  38  -0.089  10.201   3.201
  293   2HG2  THR  38          2HG2      THR  38   1.440  10.608   2.386
  294   3HG2  THR  38          3HG2      THR  38   0.149  11.822   2.521
  295    H    HIS  39           H        HIS  39  -0.985   7.557   2.936
  296    HA   HIS  39           HA       HIS  39   1.511   6.951   3.999
  297   1HB   HIS  39          1HB       HIS  39  -0.923   6.753   5.034
  298   2HB   HIS  39          2HB       HIS  39  -0.749   5.136   4.383
  299    HD1  HIS  39           HD1      HIS  39   1.694   7.438   6.481
  300    HD2  HIS  39           HD2      HIS  39   0.564   3.455   5.781
  301    HE1  HIS  39           HE1      HIS  39   2.846   6.090   8.229
  302    H    PHE  40           H        PHE  40  -0.266   5.418   1.307
  303    HA   PHE  40           HA       PHE  40   1.354   2.981   1.342
  304   1HB   PHE  40          1HB       PHE  40  -0.789   3.227  -0.044
  305   2HB   PHE  40          2HB       PHE  40   0.126   4.231  -1.158
  306    HD1  PHE  40           HD1      PHE  40   2.346   3.257  -2.190
  307    HD2  PHE  40           HD2      PHE  40  -0.781   0.913  -0.421
  308    HE1  PHE  40           HE1      PHE  40   3.242   1.216  -3.254
  309    HE2  PHE  40           HE2      PHE  40   0.143  -1.144  -1.555
  310    HZ   PHE  40           HZ       PHE  40   2.123  -0.967  -2.972
  311    H    GLU  41           H        GLU  41   1.469   6.058  -0.433
  312    HA   GLU  41           HA       GLU  41   3.915   5.828  -1.681
  313   1HB   GLU  41          1HB       GLU  41   2.899   8.282  -0.753
  314   2HB   GLU  41          2HB       GLU  41   3.957   7.957  -2.160
  315   1HG   GLU  41          1HG       GLU  41   2.096   6.826  -3.213
  316   2HG   GLU  41          2HG       GLU  41   1.071   7.263  -1.890
  317    H    GLU  42           H        GLU  42   3.304   6.517   1.641
  318    HA   GLU  42           HA       GLU  42   5.772   7.559   2.458
  319   1HB   GLU  42          1HB       GLU  42   3.349   7.510   3.446
  320   2HB   GLU  42          2HB       GLU  42   4.267   6.229   4.234
  321   1HG   GLU  42          1HG       GLU  42   5.910   7.854   4.974
  322   2HG   GLU  42          2HG       GLU  42   4.788   9.087   4.268
  323    H    MET  43           H        MET  43   4.175   4.572   2.660
  324    HA   MET  43           HA       MET  43   5.848   3.230   4.368
  325   1HB   MET  43          1HB       MET  43   3.594   2.590   2.457
  326   2HB   MET  43          2HB       MET  43   4.467   1.241   3.066
  327   1HG   MET  43          1HG       MET  43   3.543   3.381   4.969
  328   2HG   MET  43          2HG       MET  43   2.397   2.167   4.356
  329   1HE   MET  43          1HE       MET  43   2.237   1.903   7.078
  330   2HE   MET  43          2HE       MET  43   3.514   1.111   8.018
  331   3HE   MET  43          3HE       MET  43   3.751   2.784   7.457
  332    H    THR  44           H        THR  44   5.524   2.933   0.864
  333    HA   THR  44           HA       THR  44   7.320   0.655   0.995
  334    HB   THR  44           HB       THR  44   5.127   0.499   0.064
  335    HG1  THR  44           HG1      THR  44   7.307   0.195  -1.625
  336   1HG2  THR  44          1HG2      THR  44   5.894   2.864  -1.517
  337   2HG2  THR  44          2HG2      THR  44   5.125   1.544  -2.444
  338   3HG2  THR  44          3HG2      THR  44   4.324   2.202  -1.050
  339    H    GLU  45           H        GLU  45   8.112   3.819   0.366
  340    HA   GLU  45           HA       GLU  45   9.988   4.746  -0.640
  341   1HB   GLU  45          1HB       GLU  45  11.020   2.007  -0.930
  342   2HB   GLU  45          2HB       GLU  45  11.971   3.445  -0.697
  343   1HG   GLU  45          1HG       GLU  45  11.758   3.325   1.597
  344   2HG   GLU  45          2HG       GLU  45  10.189   2.505   1.563
  345    H    HIS  46           H        HIS  46   7.744   3.758  -2.469
  346    HA   HIS  46           HA       HIS  46   9.140   2.230  -4.543
  347   1HB   HIS  46          1HB       HIS  46   7.170   1.279  -3.454
  348   2HB   HIS  46          2HB       HIS  46   6.204   2.677  -3.978
  349    HD1  HIS  46           HD1      HIS  46   4.831   2.295  -6.133
  350    HD2  HIS  46           HD2      HIS  46   7.960  -0.493  -5.615
  351    HE1  HIS  46           HE1      HIS  46   4.748   0.628  -8.077
  352    HA   PRO  47           HA       PRO  47   8.806   5.235  -7.912
  353   1HB   PRO  47          2HB       PRO  47   7.584   3.149  -9.590
  354   2HB   PRO  47          1HB       PRO  47   9.161   3.958  -9.717
  355   1HG   PRO  47          2HG       PRO  47   8.524   1.299  -8.427
  356   2HG   PRO  47          1HG       PRO  47  10.099   1.980  -8.893
  357   1HD   PRO  47          1HD       PRO  47   9.068   1.538  -6.489
  358   2HD   PRO  47          2HD       PRO  47  10.392   2.649  -6.816
  359    H    SER  48           H        SER  48   6.009   3.036  -7.789
  360    HA   SER  48           HA       SER  48   4.435   5.104  -9.095
  361   1HB   SER  48          1HB       SER  48   4.581   2.165  -9.239
  362   2HB   SER  48          2HB       SER  48   3.043   2.902  -9.642
  363    HG   SER  48           HG       SER  48   3.850   3.740 -11.337
  364    H    GLY  49           H        GLY  49   4.591   5.713  -6.767
  365   1HA   GLY  49          2HA       GLY  49   3.479   6.455  -4.822
  366   2HA   GLY  49          1HA       GLY  49   3.276   4.723  -4.509
  367    H    SER  50           H        SER  50   1.752   7.614  -5.761
  368    HA   SER  50           HA       SER  50  -0.934   6.485  -5.376
  369   1HB   SER  50          1HB       SER  50  -0.494   8.755  -4.615
  370   2HB   SER  50          2HB       SER  50  -0.004   9.249  -6.250
  371    HG   SER  50           HG       SER  50  -2.110   8.656  -6.916
  372    H    ASP  51           H        ASP  51   0.253   4.871  -7.271
  373    HA   ASP  51           HA       ASP  51  -0.938   5.611  -9.853
  374   1HB   ASP  51          1HB       ASP  51   1.498   6.216  -9.895
  375   2HB   ASP  51          2HB       ASP  51   1.838   4.568  -9.383
  376    H    LEU  52           H        LEU  52   0.633   3.260  -7.426
  377    HA   LEU  52           HA       LEU  52  -0.740   1.114  -8.962
  378   1HB   LEU  52          1HB       LEU  52   0.338  -0.391  -7.355
  379   2HB   LEU  52          2HB       LEU  52   1.203   0.265  -8.765
  380    HG   LEU  52           HG       LEU  52   2.720   1.377  -7.518
  381   1HD1  LEU  52          1HD1      LEU  52   1.115   2.276  -5.719
  382   2HD1  LEU  52          2HD1      LEU  52   1.261   0.702  -4.955
  383   3HD1  LEU  52          3HD1      LEU  52   2.710   1.758  -5.199
  384   1HD2  LEU  52          1HD2      LEU  52   2.980  -0.967  -7.604
  385   2HD2  LEU  52          2HD2      LEU  52   3.553  -0.313  -6.058
  386   3HD2  LEU  52          3HD2      LEU  52   2.003  -1.156  -6.110
  387    H    ILE  53           H        ILE  53  -2.312   2.682  -8.054
  388    HA   ILE  53           HA       ILE  53  -3.309   1.446  -5.643
  389    HB   ILE  53           HB       ILE  53  -2.667   4.318  -6.079
  390   1HG1  ILE  53          1HG1      ILE  53  -0.950   2.703  -4.959
  391   2HG1  ILE  53          2HG1      ILE  53  -1.558   3.874  -3.899
  392   1HG2  ILE  53          1HG2      ILE  53  -4.735   3.105  -4.203
  393   2HG2  ILE  53          2HG2      ILE  53  -3.998   4.733  -3.997
  394   3HG2  ILE  53          3HG2      ILE  53  -4.934   4.312  -5.446
  395   1HD1  ILE  53          1HD1      ILE  53  -3.130   2.377  -2.959
  396   2HD1  ILE  53          2HD1      ILE  53  -2.408   1.081  -3.970
  397   3HD1  ILE  53          3HD1      ILE  53  -1.385   1.966  -2.850
  398    H    TYR  54           H        TYR  54  -3.784   3.346  -8.671
  399    HA   TYR  54           HA       TYR  54  -6.234   1.795  -9.189
  400   1HB   TYR  54          2HB       TYR  54  -6.271   4.744  -9.498
  401   2HB   TYR  54          1HB       TYR  54  -7.602   3.566  -9.495
  402    HD1  TYR  54           HD1      TYR  54  -7.797   2.375  -6.923
  403    HD2  TYR  54           HD2      TYR  54  -5.916   6.178  -7.654
  404    HE1  TYR  54           HE1      TYR  54  -8.527   3.129  -4.710
  405    HE2  TYR  54           HE2      TYR  54  -6.266   6.727  -5.262
  406    HH   TYR  54           HH       TYR  54  -8.507   4.896  -3.195
  407    H    TYR  55           H        TYR  55  -3.741   4.061 -10.438
  408    HA   TYR  55           HA       TYR  55  -4.909   4.202 -13.091
  409   1HB   TYR  55          1HB       TYR  55  -3.169   5.830 -11.579
  410   2HB   TYR  55          2HB       TYR  55  -2.166   5.149 -12.836
  411    HD1  TYR  55           HD1      TYR  55  -2.737   5.492 -15.240
  412    HD2  TYR  55           HD2      TYR  55  -4.919   7.440 -12.085
  413    HE1  TYR  55           HE1      TYR  55  -3.700   7.043 -16.894
  414    HE2  TYR  55           HE2      TYR  55  -5.899   9.028 -13.730
  415    HH   TYR  55           HH       TYR  55  -5.163   8.772 -17.225
  416    HA   PRO  56           HA       PRO  56  -1.662   0.871 -14.120
  417   1HB   PRO  56          1HB       PRO  56  -2.128  -1.378 -12.410
  418   2HB   PRO  56          2HB       PRO  56  -0.669  -0.366 -12.511
  419   1HG   PRO  56          1HG       PRO  56  -2.373  -0.344 -10.218
  420   2HG   PRO  56          2HG       PRO  56  -1.295   1.000 -10.795
  421   1HD   PRO  56          2HD       PRO  56  -4.158   0.643 -11.396
  422   2HD   PRO  56          1HD       PRO  56  -3.237   1.907 -10.542
  423    H    LYS  57           H        LYS  57  -2.585  -1.676 -14.594
  424    HA   LYS  57           HA       LYS  57  -4.634  -3.083 -14.257
  425   1HB   LYS  57          1HB       LYS  57  -5.894  -1.370 -13.707
  426   2HB   LYS  57          2HB       LYS  57  -6.040  -0.762 -15.405
  427   1HG   LYS  57          1HG       LYS  57  -7.492  -2.459 -15.983
  428   2HG   LYS  57          2HG       LYS  57  -7.016  -3.487 -14.605
  429   1HD   LYS  57          1HD       LYS  57  -9.209  -2.265 -14.380
  430   2HD   LYS  57          2HD       LYS  57  -8.097  -2.156 -13.037
  431   1HE   LYS  57          1HE       LYS  57  -8.289   0.100 -15.073
  432   2HE   LYS  57          2HE       LYS  57  -9.399  -0.022 -13.692
  433   1HZ   LYS  57          1HZ       LYS  57  -7.343  -0.068 -12.267
  434   2HZ   LYS  57          2HZ       LYS  57  -6.473   0.385 -13.540
  435   3HZ   LYS  57          3HZ       LYS  57  -7.611   1.388 -12.959
  436    H    GLU  58           H        GLU  58  -3.033  -1.539 -16.680
  437    HA   GLU  58           HA       GLU  58  -4.428  -2.846 -18.780
  438   1HB   GLU  58          1HB       GLU  58  -4.061  -0.426 -18.381
  439   2HB   GLU  58          2HB       GLU  58  -2.512  -0.864 -19.174
  440   1HG   GLU  58          1HG       GLU  58  -3.729  -1.615 -21.179
  441   2HG   GLU  58          2HG       GLU  58  -5.268  -1.362 -20.347
  442    H    GLY  59           H        GLY  59  -1.956  -3.348 -17.599
  443   1HA   GLY  59          2HA       GLY  59   0.135  -4.639 -19.045
  444   2HA   GLY  59          1HA       GLY  59  -1.291  -5.718 -19.004
  445    H    ASP  60           H        ASP  60  -2.186  -4.318 -16.271
  446    HA   ASP  60           HA       ASP  60  -0.275  -5.637 -14.519
  447   1HB   ASP  60          1HB       ASP  60   0.176  -3.018 -14.870
  448   2HB   ASP  60          2HB       ASP  60  -1.325  -2.846 -14.013
  449    H    ASP  61           H        ASP  61  -0.988  -5.715 -12.627
  450    HA   ASP  61           HA       ASP  61  -3.837  -6.352 -12.402
  451   1HB   ASP  61          1HB       ASP  61  -2.823  -8.379 -12.269
  452   2HB   ASP  61          2HB       ASP  61  -1.780  -7.676 -11.055
  453    H    ASP  62           H        ASP  62  -4.519  -4.233 -11.647
  454    HA   ASP  62           HA       ASP  62  -3.166  -2.946  -9.294
  455   1HB   ASP  62          2HB       ASP  62  -4.552  -1.097  -9.882
  456   2HB   ASP  62          1HB       ASP  62  -3.976  -1.715 -11.437
  457    H    SER  63           H        SER  63  -5.247  -5.624  -9.632
  458    HA   SER  63           HA       SER  63  -7.583  -4.864  -8.222
  459   1HB   SER  63          1HB       SER  63  -6.007  -7.436  -7.769
  460   2HB   SER  63          2HB       SER  63  -7.704  -7.184  -7.395
  461    HG   SER  63           HG       SER  63  -6.399  -7.434  -9.870
  462    HA   PRO  64           HA       PRO  64  -6.295  -3.370  -4.337
  463   1HB   PRO  64          2HB       PRO  64  -7.834  -5.616  -3.005
  464   2HB   PRO  64          1HB       PRO  64  -7.724  -3.898  -2.573
  465   1HG   PRO  64          1HG       PRO  64  -9.853  -4.727  -4.024
  466   2HG   PRO  64          2HG       PRO  64  -8.963  -3.287  -4.643
  467   1HD   PRO  64          2HD       PRO  64  -8.562  -6.184  -5.355
  468   2HD   PRO  64          1HD       PRO  64  -8.807  -4.842  -6.505
  469    H    SER  65           H        SER  65  -5.606  -6.482  -4.905
  470    HA   SER  65           HA       SER  65  -3.454  -7.016  -3.028
  471   1HB   SER  65          1HB       SER  65  -4.003  -9.309  -3.955
  472   2HB   SER  65          2HB       SER  65  -5.290  -8.529  -2.968
  473    HG   SER  65           HG       SER  65  -5.197  -8.986  -5.767
  474    H    GLY  66           H        GLY  66  -3.947  -7.086  -6.482
  475   1HA   GLY  66          2HA       GLY  66  -2.858  -7.087  -8.164
  476   2HA   GLY  66          1HA       GLY  66  -1.562  -8.002  -7.417
  477    H    ILE  67           H        ILE  67  -3.096  -4.691  -6.689
  478    HA   ILE  67           HA       ILE  67  -0.740  -3.486  -7.471
  479    HB   ILE  67           HB       ILE  67  -1.387  -1.602  -5.780
  480   1HG1  ILE  67          1HG1      ILE  67  -3.643  -3.475  -5.263
  481   2HG1  ILE  67          2HG1      ILE  67  -2.595  -2.559  -4.324
  482   1HG2  ILE  67          1HG2      ILE  67  -1.987  -1.592  -8.280
  483   2HG2  ILE  67          2HG2      ILE  67  -3.628  -2.053  -7.657
  484   3HG2  ILE  67          3HG2      ILE  67  -2.966  -0.553  -7.214
  485   1HD1  ILE  67          1HD1      ILE  67  -4.827  -1.240  -5.988
  486   2HD1  ILE  67          2HD1      ILE  67  -5.024  -1.690  -4.336
  487   3HD1  ILE  67          3HD1      ILE  67  -3.828  -0.464  -4.744
  488    H    VAL  68           H        VAL  68  -1.565  -4.652  -4.385
  489    HA   VAL  68           HA       VAL  68   0.826  -3.565  -3.039
  490    HB   VAL  68           HB       VAL  68  -0.877  -5.955  -2.256
  491   1HG1  VAL  68          1HG1      VAL  68   1.175  -5.191  -0.785
  492   2HG1  VAL  68          2HG1      VAL  68   0.317  -3.652  -0.571
  493   3HG1  VAL  68          3HG1      VAL  68  -0.382  -5.139   0.067
  494   1HG2  VAL  68          1HG2      VAL  68  -1.578  -3.075  -2.245
  495   2HG2  VAL  68          2HG2      VAL  68  -2.537  -4.485  -2.729
  496   3HG2  VAL  68          3HG2      VAL  68  -2.266  -4.168  -1.024
  497    H    ASN  69           H        ASN  69  -0.126  -6.130  -4.882
  498    HA   ASN  69           HA       ASN  69   2.226  -7.836  -4.905
  499   1HB   ASN  69          1HB       ASN  69  -0.140  -8.037  -5.911
  500   2HB   ASN  69          2HB       ASN  69   1.000  -7.982  -7.275
  501   2HD2  ASN  69          2HD2      ASN  69  -0.703 -10.160  -5.720
  502   1HD2  ASN  69          1HD2      ASN  69   0.472 -11.439  -5.411
  503    H    THR  70           H        THR  70   1.222  -5.059  -6.982
  504    HA   THR  70           HA       THR  70   3.183  -5.516  -8.654
  505    HB   THR  70           HB       THR  70   1.852  -2.901  -7.849
  506    HG1  THR  70           HG1      THR  70   0.899  -3.760 -10.163
  507   1HG2  THR  70          1HG2      THR  70   3.838  -2.297  -9.224
  508   2HG2  THR  70          2HG2      THR  70   3.205  -3.324 -10.536
  509   3HG2  THR  70          3HG2      THR  70   2.299  -1.894  -9.997
  510    H    VAL  71           H        VAL  71   2.982  -3.715  -5.734
  511    HA   VAL  71           HA       VAL  71   5.649  -2.651  -5.492
  512    HB   VAL  71           HB       VAL  71   3.323  -2.935  -3.719
  513   1HG1  VAL  71          1HG1      VAL  71   5.836  -3.806  -2.320
  514   2HG1  VAL  71          2HG1      VAL  71   4.570  -2.834  -1.538
  515   3HG1  VAL  71          3HG1      VAL  71   4.164  -4.389  -2.175
  516   1HG2  VAL  71          1HG2      VAL  71   4.649  -1.002  -4.559
  517   2HG2  VAL  71          2HG2      VAL  71   4.455  -0.997  -2.794
  518   3HG2  VAL  71          3HG2      VAL  71   5.993  -1.539  -3.566
  519    H    LYS  72           H        LYS  72   4.131  -5.594  -4.619
  520    HA   LYS  72           HA       LYS  72   6.515  -6.832  -3.573
  521   1HB   LYS  72          1HB       LYS  72   3.847  -7.645  -4.032
  522   2HB   LYS  72          2HB       LYS  72   4.855  -8.939  -4.682
  523   1HG   LYS  72          1HG       LYS  72   4.689  -9.323  -2.367
  524   2HG   LYS  72          2HG       LYS  72   6.260  -8.480  -2.509
  525   1HD   LYS  72          2HD       LYS  72   5.500  -6.905  -1.168
  526   2HD   LYS  72          1HD       LYS  72   4.343  -6.439  -2.342
  527   1HE   LYS  72          1HE       LYS  72   3.840  -8.477  -0.246
  528   2HE   LYS  72          2HE       LYS  72   3.125  -6.848  -0.303
  529   1HZ   LYS  72          1HZ       LYS  72   2.660  -8.952  -2.314
  530   2HZ   LYS  72          2HZ       LYS  72   1.702  -8.707  -1.044
  531   3HZ   LYS  72          3HZ       LYS  72   1.869  -7.495  -2.200
  532    H    GLN  73           H        GLN  73   6.141  -6.145  -6.522
  533    HA   GLN  73           HA       GLN  73   8.061  -7.913  -7.499
  534   1HB   GLN  73          1HB       GLN  73   6.046  -6.295  -9.056
  535   2HB   GLN  73          2HB       GLN  73   7.225  -7.411  -9.791
  536   1HG   GLN  73          1HG       GLN  73   6.422  -9.189  -8.211
  537   2HG   GLN  73          2HG       GLN  73   5.287  -8.203  -7.567
  538   2HE2  GLN  73          2HE2      GLN  73   3.338  -8.182  -8.198
  539   1HE2  GLN  73          1HE2      GLN  73   2.716  -8.781  -9.738
  540    H    TRP  74           H        TRP  74   7.499  -4.470  -7.417
  541    HA   TRP  74           HA       TRP  74  10.128  -3.531  -8.228
  542   1HB   TRP  74          1HB       TRP  74   8.134  -2.152  -8.162
  543   2HB   TRP  74          2HB       TRP  74   8.388  -2.207  -6.410
  544    HD1  TRP  74           HD1      TRP  74   9.953  -1.105  -9.652
  545    HE1  TRP  74           HE1      TRP  74  12.060   0.321  -9.374
  546    HE3  TRP  74           HE3      TRP  74   9.852  -0.773  -4.651
  547    HZ2  TRP  74           HZ2      TRP  74  13.353   1.699  -7.185
  548    HZ3  TRP  74           HZ3      TRP  74  11.234   0.844  -3.544
  549    HH2  TRP  74           HH2      TRP  74  13.027   2.120  -4.757
  550    H    ARG  75           H        ARG  75   8.580  -3.885  -5.047
  551    HA   ARG  75           HA       ARG  75  10.989  -3.838  -3.547
  552   1HB   ARG  75          1HB       ARG  75   8.224  -4.984  -2.759
  553   2HB   ARG  75          2HB       ARG  75   9.529  -4.716  -1.664
  554   1HG   ARG  75          1HG       ARG  75   9.270  -2.164  -2.757
  555   2HG   ARG  75          2HG       ARG  75   7.679  -2.751  -2.929
  556   1HD   ARG  75          2HD       ARG  75   8.832  -1.539  -0.658
  557   2HD   ARG  75          1HD       ARG  75   7.210  -2.218  -0.845
  558    HE   ARG  75           HE       ARG  75   7.807  -4.218   0.106
  559   1HH1  ARG  75          1HH1      ARG  75  10.152  -1.449   0.967
  560   2HH1  ARG  75          2HH1      ARG  75  10.786  -2.382   2.205
  561   1HH2  ARG  75          1HH2      ARG  75   8.359  -4.947   2.187
  562   2HH2  ARG  75          2HH2      ARG  75   9.696  -4.176   3.010
  563    H    ALA  76           H        ALA  76  10.086  -6.151  -5.548
  564    HA   ALA  76           HA       ALA  76  11.483  -8.212  -3.959
  565   1HB   ALA  76          1HB       ALA  76   9.537  -8.683  -6.204
  566   2HB   ALA  76          3HB       ALA  76  10.489  -9.961  -5.446
  567   3HB   ALA  76          2HB       ALA  76   9.317  -9.071  -4.465
  568    H    ALA  77           H        ALA  77  11.463  -6.435  -6.735
  569    HA   ALA  77           HA       ALA  77  13.763  -7.921  -7.840
  570   1HB   ALA  77          1HB       ALA  77  11.969  -7.136  -9.451
  571   2HB   ALA  77          3HB       ALA  77  12.284  -5.461  -8.956
  572   3HB   ALA  77          2HB       ALA  77  13.526  -6.367  -9.841
  573    H    ASN  78           H        ASN  78  13.033  -4.886  -6.434
  574    HA   ASN  78           HA       ASN  78  15.802  -4.152  -6.147
  575   1HB   ASN  78          1HB       ASN  78  13.608  -2.671  -6.224
  576   2HB   ASN  78          2HB       ASN  78  13.303  -3.293  -4.666
  577   2HD2  ASN  78          2HD2      ASN  78  16.246  -3.131  -3.665
  578   1HD2  ASN  78          1HD2      ASN  78  16.578  -1.409  -3.614
  579    H    GLY  79           H        GLY  79  13.611  -6.117  -4.925
  580   1HA   GLY  79          2HA       GLY  79  15.322  -7.591  -3.128
  581   2HA   GLY  79          1HA       GLY  79  13.562  -7.791  -3.171
  582    H    LYS  80           H        LYS  80  13.101  -5.038  -2.683
  583    HA   LYS  80           HA       LYS  80  14.271  -3.443  -1.034
  584   1HB   LYS  80          1HB       LYS  80  11.488  -3.788  -0.465
  585   2HB   LYS  80          2HB       LYS  80  12.495  -2.407   0.042
  586   1HG   LYS  80          1HG       LYS  80  12.599  -3.284  -2.779
  587   2HG   LYS  80          2HG       LYS  80  11.230  -2.434  -2.225
  588   1HD   LYS  80          1HD       LYS  80  13.757  -1.561  -2.177
  589   2HD   LYS  80          2HD       LYS  80  12.792  -1.284  -3.507
  590   1HE   LYS  80          1HE       LYS  80  11.209  -0.103  -2.122
  591   2HE   LYS  80          2HE       LYS  80  11.994  -0.454  -0.758
  592   1HZ   LYS  80          1HZ       LYS  80  13.799   0.917  -2.495
  593   2HZ   LYS  80          2HZ       LYS  80  12.490   1.815  -2.011
  594   3HZ   LYS  80          3HZ       LYS  80  13.439   1.147  -0.863
  595    H    SER  81           H        SER  81  12.225  -5.648   0.423
  596    HA   SER  81           HA       SER  81  11.812  -6.767   2.211
  597   1HB   SER  81          1HB       SER  81  13.477  -7.127   4.040
  598   2HB   SER  81          2HB       SER  81  13.721  -7.856   2.486
  599    HG   SER  81           HG       SER  81  15.076  -5.617   2.353
  600    H    GLY  82           H        GLY  82  11.667  -6.534   4.415
  601   1HA   GLY  82          2HA       GLY  82  10.122  -4.014   4.829
  602   2HA   GLY  82          1HA       GLY  82  11.453  -4.237   5.931
  603    H    PHE  83           H        PHE  83   8.720  -6.070   4.683
  604    HA   PHE  83           HA       PHE  83   7.505  -5.771   7.012
  605   1HB   PHE  83          2HB       PHE  83   6.527  -8.126   5.433
  606   2HB   PHE  83          1HB       PHE  83   5.671  -6.921   6.303
  607    HD1  PHE  83           HD1      PHE  83   5.012  -4.703   5.522
  608    HD2  PHE  83           HD2      PHE  83   6.279  -8.091   3.253
  609    HE1  PHE  83           HE1      PHE  83   3.939  -3.844   3.694
  610    HE2  PHE  83           HE2      PHE  83   5.244  -7.273   1.327
  611    HZ   PHE  83           HZ       PHE  83   3.961  -5.078   1.339
  612    H    LYS  84           H        LYS  84   6.399  -7.246   7.683
  613    HA   LYS  84           HA       LYS  84   7.428  -8.791   9.830
  614   1HB   LYS  84          1HB       LYS  84   6.672  -6.397   9.593
  615   2HB   LYS  84          2HB       LYS  84   5.152  -7.232   9.962
  616   1HG   LYS  84          1HG       LYS  84   6.282  -8.300  11.977
  617   2HG   LYS  84          2HG       LYS  84   7.801  -7.486  11.513
  618   1HD   LYS  84          1HD       LYS  84   6.715  -5.373  11.593
  619   2HD   LYS  84          2HD       LYS  84   5.175  -6.168  12.118
  620   1HE   LYS  84          1HE       LYS  84   6.734  -7.126  13.981
  621   2HE   LYS  84          2HE       LYS  84   7.795  -5.748  13.549
  622   1HZ   LYS  84          1HZ       LYS  84   5.818  -4.310  14.038
  623   2HZ   LYS  84          2HZ       LYS  84   5.016  -5.697  14.533
  624   3HZ   LYS  84          3HZ       LYS  84   6.335  -5.105  15.346
  625    H    GLN  85           H        GLN  85   5.398  -9.260  10.909
  626    HA   GLN  85           HA       GLN  85   3.904 -11.558   9.782
  627   1HB   GLN  85          1HB       GLN  85   6.082 -12.076  10.916
  628   2HB   GLN  85          2HB       GLN  85   4.693 -12.545  11.958
  629   1HG   GLN  85          1HG       GLN  85   4.865 -13.326   9.101
  630   2HG   GLN  85          2HG       GLN  85   5.711 -14.236  10.360
  631   2HE2  GLN  85          2HE2      GLN  85   2.308 -12.799  10.767
  632   1HE2  GLN  85          1HE2      GLN  85   1.651 -14.408  10.904
  633    H    GLY  86           H        GLY  86   4.763 -10.015  12.743
  634   1HA   GLY  86          2HA       GLY  86   2.543  -9.699  14.292
  635   2HA   GLY  86          1HA       GLY  86   2.362  -8.503  12.976

  No H/Q in entry =         635
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -6.282   0.147  10.337
    2    H2   MET   1           H2       MET   1  -4.792   0.531   9.790
    3    H3   MET   1           H3       MET   1  -5.401  -1.002   9.524
    4    HA   MET   1           HA       MET   1  -5.409  -1.413  11.888
    5   1HB   MET   1          1HB       MET   1  -2.972  -1.452  12.275
    6   2HB   MET   1          2HB       MET   1  -3.561  -2.255  10.810
    7   1HG   MET   1          1HG       MET   1  -2.781  -0.134   9.574
    8   2HG   MET   1          2HG       MET   1  -1.870   0.161  11.071
    9   1HE   MET   1          1HE       MET   1  -0.405  -1.737  12.234
   10   2HE   MET   1          2HE       MET   1  -1.395  -3.163  11.874
   11   3HE   MET   1          3HE       MET   1   0.306  -3.113  11.380
   12    H    GLU   2           H        GLU   2  -2.920   0.315  13.082
   13    HA   GLU   2           HA       GLU   2  -4.381   2.848  13.231
   14   1HB   GLU   2          2HB       GLU   2  -1.562   3.158  13.652
   15   2HB   GLU   2          1HB       GLU   2  -2.933   3.475  14.692
   16   1HG   GLU   2          2HG       GLU   2  -1.477   2.236  15.981
   17   2HG   GLU   2          1HG       GLU   2  -2.720   1.076  15.533
   18    H    LEU   3           H        LEU   3  -1.033   2.532  11.877
   19    HA   LEU   3           HA       LEU   3  -1.682   2.540   9.273
   20   1HB   LEU   3          1HB       LEU   3  -1.299   4.980  10.890
   21   2HB   LEU   3          2HB       LEU   3  -0.136   4.842   9.543
   22    HG   LEU   3           HG       LEU   3  -3.103   4.493   9.167
   23   1HD1  LEU   3          1HD1      LEU   3  -2.547   6.869   9.838
   24   2HD1  LEU   3          2HD1      LEU   3  -1.359   6.941   8.512
   25   3HD1  LEU   3          3HD1      LEU   3  -3.097   6.774   8.169
   26   1HD2  LEU   3          1HD2      LEU   3  -0.941   3.692   7.648
   27   2HD2  LEU   3          2HD2      LEU   3  -2.575   3.734   7.242
   28   3HD2  LEU   3          3HD2      LEU   3  -1.543   5.148   6.820
   29    H    LYS   4           H        LYS   4   1.040   4.027  10.404
   30    HA   LYS   4           HA       LYS   4   2.561   2.437  11.967
   31   1HB   LYS   4          1HB       LYS   4   2.380   0.993   9.448
   32   2HB   LYS   4          2HB       LYS   4   3.948   1.546   9.688
   33   1HG   LYS   4          2HG       LYS   4   3.736  -0.578  10.774
   34   2HG   LYS   4          1HG       LYS   4   3.992   0.708  11.980
   35   1HD   LYS   4          1HD       LYS   4   1.444   0.687  12.335
   36   2HD   LYS   4          2HD       LYS   4   1.431  -0.731  11.313
   37   1HE   LYS   4          2HE       LYS   4   1.235  -1.415  13.543
   38   2HE   LYS   4          1HE       LYS   4   2.856  -1.880  13.014
   39   1HZ   LYS   4          1HZ       LYS   4   3.440   0.412  14.118
   40   2HZ   LYS   4          2HZ       LYS   4   1.999   0.174  14.890
   41   3HZ   LYS   4          3HZ       LYS   4   3.311  -0.905  15.010
   42    H    HIS   5           H        HIS   5   4.922   2.424  11.176
   43    HA   HIS   5           HA       HIS   5   5.759   5.164  10.670
   44   1HB   HIS   5          2HB       HIS   5   7.600   3.471  12.247
   45   2HB   HIS   5          1HB       HIS   5   7.054   5.095  12.539
   46    HD1  HIS   5           HD1      HIS   5   4.492   5.160  13.872
   47    HD2  HIS   5           HD2      HIS   5   6.404   1.484  13.260
   48    HE1  HIS   5           HE1      HIS   5   3.088   3.422  15.126
   49    H    SER   6           H        SER   6   6.167   1.945  10.213
   50    HA   SER   6           HA       SER   6   7.858   2.184   7.915
   51   1HB   SER   6          1HB       SER   6   8.318  -0.198   9.000
   52   2HB   SER   6          2HB       SER   6   9.266   1.304   9.147
   53    HG   SER   6           HG       SER   6   8.818   0.171  11.232
   54    H    ILE   7           H        ILE   7   7.587   0.822   6.407
   55    HA   ILE   7           HA       ILE   7   5.307  -0.747   5.928
   56    HB   ILE   7           HB       ILE   7   7.272   0.203   4.468
   57   1HG1  ILE   7          1HG1      ILE   7   6.025  -2.496   3.906
   58   2HG1  ILE   7          2HG1      ILE   7   5.377  -0.867   3.574
   59   1HG2  ILE   7          1HG2      ILE   7   9.084  -1.164   5.704
   60   2HG2  ILE   7          2HG2      ILE   7   8.457  -2.576   4.826
   61   3HG2  ILE   7          3HG2      ILE   7   9.114  -1.172   3.951
   62   1HD1  ILE   7          1HD1      ILE   7   7.487  -0.515   2.199
   63   2HD1  ILE   7          2HD1      ILE   7   7.684  -2.279   2.338
   64   3HD1  ILE   7          3HD1      ILE   7   6.213  -1.586   1.573
   65    H    SER   8           H        SER   8   7.455  -1.301   8.364
   66    HA   SER   8           HA       SER   8   7.572  -4.138   8.144
   67   1HB   SER   8          2HB       SER   8   9.458  -3.870   7.736
   68   2HB   SER   8          1HB       SER   8   9.258  -2.248   7.695
   69    HG   SER   8           HG       SER   8   9.995  -3.624  10.051
   70    H    ASP   9           H        ASP   9   6.635  -1.403  10.120
   71    HA   ASP   9           HA       ASP   9   6.583  -3.256  12.467
   72   1HB   ASP   9          1HB       ASP   9   6.103  -0.361  12.216
   73   2HB   ASP   9          2HB       ASP   9   4.663  -1.146  12.722
   74    H    TYR  10           H        TYR  10   5.038  -3.018   9.476
   75    HA   TYR  10           HA       TYR  10   2.718  -4.412  10.674
   76   1HB   TYR  10          1HB       TYR  10   1.223  -3.572   9.168
   77   2HB   TYR  10          2HB       TYR  10   2.079  -2.245   9.854
   78    HD1  TYR  10           HD1      TYR  10   4.053  -3.704   7.151
   79    HD2  TYR  10           HD2      TYR  10   0.686  -1.125   7.976
   80    HE1  TYR  10           HE1      TYR  10   4.241  -2.776   4.970
   81    HE2  TYR  10           HE2      TYR  10   0.943  -0.161   5.720
   82    HH   TYR  10           HH       TYR  10   2.650   0.171   4.018
   83    H    THR  11           H        THR  11   1.882  -6.226   9.209
   84    HA   THR  11           HA       THR  11   4.170  -7.573   7.876
   85    HB   THR  11           HB       THR  11   3.367  -9.451   8.230
   86    HG1  THR  11           HG1      THR  11   1.294 -10.193   8.035
   87   1HG2  THR  11          1HG2      THR  11   3.065  -8.569  10.439
   88   2HG2  THR  11          2HG2      THR  11   1.362  -8.189  10.070
   89   3HG2  THR  11          3HG2      THR  11   1.902  -9.839  10.126
   90    H    GLU  12           H        GLU  12   3.180  -8.947   5.782
   91    HA   GLU  12           HA       GLU  12   2.582  -7.028   3.755
   92   1HB   GLU  12          1HB       GLU  12   3.545  -9.353   3.303
   93   2HB   GLU  12          2HB       GLU  12   1.932 -10.002   3.664
   94   1HG   GLU  12          1HG       GLU  12   1.060  -8.212   1.900
   95   2HG   GLU  12          2HG       GLU  12   2.691  -7.996   1.522
   96    H    ALA  13           H        ALA  13   0.561  -8.850   5.797
   97    HA   ALA  13           HA       ALA  13  -1.775  -8.747   3.903
   98   1HB   ALA  13          1HB       ALA  13  -1.439 -10.873   5.150
   99   2HB   ALA  13          3HB       ALA  13  -1.577  -9.989   6.692
  100   3HB   ALA  13          2HB       ALA  13  -2.972 -10.096   5.597
  101    H    GLU  14           H        GLU  14  -0.367  -7.300   6.566
  102    HA   GLU  14           HA       GLU  14  -2.448  -5.731   7.663
  103   1HB   GLU  14          1HB       GLU  14   0.071  -6.797   8.293
  104   2HB   GLU  14          2HB       GLU  14   0.470  -5.126   7.961
  105   1HG   GLU  14          1HG       GLU  14  -0.660  -4.398   9.747
  106   2HG   GLU  14          2HG       GLU  14  -1.894  -5.668   9.686
  107    H    PHE  15           H        PHE  15   0.246  -5.170   5.343
  108    HA   PHE  15           HA       PHE  15  -0.634  -2.399   4.676
  109   1HB   PHE  15          1HB       PHE  15   1.687  -3.488   4.286
  110   2HB   PHE  15          2HB       PHE  15   0.985  -4.424   3.008
  111    HD1  PHE  15           HD1      PHE  15  -0.161  -0.876   3.317
  112    HD2  PHE  15           HD2      PHE  15   2.692  -3.536   1.468
  113    HE1  PHE  15           HE1      PHE  15   0.730   0.989   2.017
  114    HE2  PHE  15           HE2      PHE  15   3.586  -1.602   0.161
  115    HZ   PHE  15           HZ       PHE  15   2.680   0.647   0.512
  116    H    LEU  16           H        LEU  16  -1.212  -5.765   3.491
  117    HA   LEU  16           HA       LEU  16  -2.350  -4.832   1.040
  118   1HB   LEU  16          1HB       LEU  16  -1.568  -7.100   1.478
  119   2HB   LEU  16          2HB       LEU  16  -2.899  -7.358   2.604
  120    HG   LEU  16           HG       LEU  16  -4.519  -7.466   1.013
  121   1HD1  LEU  16          1HD1      LEU  16  -4.028  -5.448  -0.392
  122   2HD1  LEU  16          2HD1      LEU  16  -2.743  -6.353  -1.194
  123   3HD1  LEU  16          3HD1      LEU  16  -4.444  -6.855  -1.309
  124   1HD2  LEU  16          1HD2      LEU  16  -2.794  -9.365   0.743
  125   2HD2  LEU  16          2HD2      LEU  16  -3.610  -9.043  -0.790
  126   3HD2  LEU  16          3HD2      LEU  16  -1.958  -8.433  -0.507
  127    H    GLN  17           H        GLN  17  -3.627  -5.329   4.232
  128    HA   GLN  17           HA       GLN  17  -6.221  -5.034   3.761
  129   1HB   GLN  17          1HB       GLN  17  -5.945  -5.745   5.995
  130   2HB   GLN  17          2HB       GLN  17  -4.335  -5.027   6.056
  131   1HG   GLN  17          1HG       GLN  17  -5.357  -2.799   6.507
  132   2HG   GLN  17          2HG       GLN  17  -6.918  -3.618   6.670
  133   2HE2  GLN  17          2HE2      GLN  17  -5.109  -5.896   8.040
  134   1HE2  GLN  17          1HE2      GLN  17  -4.845  -5.234   9.647
  135    H    LEU  18           H        LEU  18  -3.539  -2.850   4.137
  136    HA   LEU  18           HA       LEU  18  -5.142  -0.604   4.798
  137   1HB   LEU  18          1HB       LEU  18  -2.749  -1.071   5.534
  138   2HB   LEU  18          2HB       LEU  18  -2.244  -0.726   3.876
  139    HG   LEU  18           HG       LEU  18  -3.110   1.543   4.062
  140   1HD1  LEU  18          1HD1      LEU  18  -3.716   0.833   6.962
  141   2HD1  LEU  18          2HD1      LEU  18  -3.851   2.448   6.250
  142   3HD1  LEU  18          3HD1      LEU  18  -4.935   1.216   5.720
  143   1HD2  LEU  18          1HD2      LEU  18  -0.792   1.168   4.568
  144   2HD2  LEU  18          2HD2      LEU  18  -1.521   2.489   5.484
  145   3HD2  LEU  18          3HD2      LEU  18  -1.204   0.934   6.295
  146    H    VAL  19           H        VAL  19  -3.665  -2.018   1.959
  147    HA   VAL  19           HA       VAL  19  -4.077   0.130  -0.013
  148    HB   VAL  19           HB       VAL  19  -3.018  -2.363  -0.141
  149   1HG1  VAL  19          1HG1      VAL  19  -5.455  -2.088  -1.984
  150   2HG1  VAL  19          2HG1      VAL  19  -4.066  -3.020  -2.375
  151   3HG1  VAL  19          3HG1      VAL  19  -5.014  -3.485  -0.962
  152   1HG2  VAL  19          1HG2      VAL  19  -2.276  -0.205  -1.145
  153   2HG2  VAL  19          2HG2      VAL  19  -2.393  -1.418  -2.416
  154   3HG2  VAL  19          3HG2      VAL  19  -3.677  -0.229  -2.228
  155    H    THR  20           H        THR  20  -5.843  -2.727   1.341
  156    HA   THR  20           HA       THR  20  -8.186  -2.550  -0.222
  157    HB   THR  20           HB       THR  20  -6.907  -4.423   1.466
  158    HG1  THR  20           HG1      THR  20  -9.284  -4.625  -0.010
  159   1HG2  THR  20          1HG2      THR  20  -8.365  -3.908   3.354
  160   2HG2  THR  20          2HG2      THR  20  -9.749  -4.356   2.356
  161   3HG2  THR  20          3HG2      THR  20  -8.454  -5.540   2.726
  162    H    THR  21           H        THR  21  -7.300  -0.950   2.827
  163    HA   THR  21           HA       THR  21  -9.928  -0.238   3.686
  164    HB   THR  21           HB       THR  21  -7.077   0.164   4.275
  165    HG1  THR  21           HG1      THR  21  -9.319  -0.089   5.977
  166   1HG2  THR  21          1HG2      THR  21  -8.785   2.615   4.690
  167   2HG2  THR  21          2HG2      THR  21  -7.365   2.223   5.651
  168   3HG2  THR  21          3HG2      THR  21  -7.235   2.437   3.891
  169    H    ILE  22           H        ILE  22  -7.618   0.874   1.341
  170    HA   ILE  22           HA       ILE  22  -8.881   3.511   0.921
  171    HB   ILE  22           HB       ILE  22  -6.623   2.260  -0.696
  172   1HG1  ILE  22          1HG1      ILE  22  -6.463   4.149   1.677
  173   2HG1  ILE  22          2HG1      ILE  22  -6.028   2.475   1.755
  174   1HG2  ILE  22          1HG2      ILE  22  -7.933   4.355  -1.545
  175   2HG2  ILE  22          2HG2      ILE  22  -7.130   5.217  -0.212
  176   3HG2  ILE  22          3HG2      ILE  22  -6.174   4.431  -1.476
  177   1HD1  ILE  22          1HD1      ILE  22  -4.344   2.918  -0.145
  178   2HD1  ILE  22          2HD1      ILE  22  -4.639   4.625   0.222
  179   3HD1  ILE  22          3HD1      ILE  22  -3.962   3.541   1.458
  180    H    CYS  23           H        CYS  23  -8.271   0.469  -0.878
  181    HA   CYS  23           HA       CYS  23 -10.308   0.917  -2.856
  182   1HB   CYS  23          2HB       CYS  23  -9.411  -1.855  -1.895
  183   2HB   CYS  23          1HB       CYS  23 -10.151  -1.382  -3.407
  184    H    ASN  24           H        ASN  24 -10.539   0.649   0.527
  185    HA   ASN  24           HA       ASN  24 -13.505   0.095   0.059
  186   1HB   ASN  24          1HB       ASN  24 -12.496  -1.652   1.374
  187   2HB   ASN  24          2HB       ASN  24 -12.040  -0.508   2.623
  188   2HD2  ASN  24          2HD2      ASN  24 -13.621  -0.658   4.469
  189   1HD2  ASN  24          1HD2      ASN  24 -15.279  -0.958   4.090
  190    H    ALA  25           H        ALA  25 -11.440   2.655   1.169
  191    HA   ALA  25           HA       ALA  25 -11.843   4.780   2.007
  192   1HB   ALA  25          1HB       ALA  25 -14.631   4.220   0.754
  193   2HB   ALA  25          3HB       ALA  25 -14.146   5.779   1.385
  194   3HB   ALA  25          2HB       ALA  25 -13.284   5.087  -0.009
  195    H    ASP  26           H        ASP  26 -12.168   2.441   3.386
  196    HA   ASP  26           HA       ASP  26 -13.793   1.973   5.546
  197   1HB   ASP  26          1HB       ASP  26 -12.157   0.840   4.241
  198   2HB   ASP  26          2HB       ASP  26 -10.869   1.656   5.116
  199    H    THR  27           H        THR  27 -12.869   4.544   5.193
  200    HA   THR  27           HA       THR  27 -11.087   5.488   7.402
  201    HB   THR  27           HB       THR  27 -10.200   6.895   5.766
  202    HG1  THR  27           HG1      THR  27 -12.419   6.115   4.246
  203   1HG2  THR  27          1HG2      THR  27  -9.394   4.587   5.672
  204   2HG2  THR  27          2HG2      THR  27 -10.467   4.316   4.276
  205   3HG2  THR  27          3HG2      THR  27  -9.187   5.533   4.189
  206    H    SER  28           H        SER  28 -10.977   8.064   7.269
  207    HA   SER  28           HA       SER  28 -13.302   9.201   8.360
  208   1HB   SER  28          1HB       SER  28 -12.058  11.329   7.791
  209   2HB   SER  28          2HB       SER  28 -11.169  10.089   8.749
  210    HG   SER  28           HG       SER  28  -9.887  10.963   7.162
  211    H    SER  29           H        SER  29 -12.316   8.633   5.228
  212    HA   SER  29           HA       SER  29 -14.141   7.864   3.810
  213   1HB   SER  29          1HB       SER  29 -15.468  10.067   4.559
  214   2HB   SER  29          2HB       SER  29 -16.109   8.913   3.422
  215    HG   SER  29           HG       SER  29 -15.312   7.826   5.865
  216    H    GLU  30           H        GLU  30 -12.148  10.266   3.631
  217    HA   GLU  30           HA       GLU  30 -12.188  10.056   1.001
  218   1HB   GLU  30          1HB       GLU  30 -14.038  11.867   1.128
  219   2HB   GLU  30          2HB       GLU  30 -12.869  12.939   1.875
  220   1HG   GLU  30          1HG       GLU  30 -11.621  13.059  -0.276
  221   2HG   GLU  30          2HG       GLU  30 -12.787  11.945  -1.003
  222    H    GLU  31           H        GLU  31 -10.949  11.131   3.780
  223    HA   GLU  31           HA       GLU  31  -8.806  12.692   2.968
  224   1HB   GLU  31          1HB       GLU  31 -10.725  12.915   4.533
  225   2HB   GLU  31          2HB       GLU  31  -9.892  11.790   5.209
  226   1HG   GLU  31          1HG       GLU  31  -8.172  14.050   4.898
  227   2HG   GLU  31          2HG       GLU  31  -9.626  14.343   5.912
  228    H    GLU  32           H        GLU  32  -9.118  10.501   5.323
  229    HA   GLU  32           HA       GLU  32  -6.571   9.207   5.581
  230   1HB   GLU  32          1HB       GLU  32  -9.236   8.487   5.981
  231   2HB   GLU  32          2HB       GLU  32  -8.011   7.194   5.914
  232   1HG   GLU  32          2HG       GLU  32  -8.211   9.586   7.752
  233   2HG   GLU  32          1HG       GLU  32  -8.321   7.862   8.127
  234    H    LEU  33           H        LEU  33  -9.105   9.135   2.989
  235    HA   LEU  33           HA       LEU  33  -7.915   6.840   1.765
  236   1HB   LEU  33          1HB       LEU  33  -9.858   9.011   1.000
  237   2HB   LEU  33          2HB       LEU  33  -9.258   7.994  -0.290
  238    HG   LEU  33           HG       LEU  33  -9.904   6.496   2.265
  239   1HD1  LEU  33          1HD1      LEU  33 -11.549   8.277   2.253
  240   2HD1  LEU  33          2HD1      LEU  33 -12.084   7.894   0.584
  241   3HD1  LEU  33          3HD1      LEU  33 -12.356   6.792   1.939
  242   1HD2  LEU  33          1HD2      LEU  33  -9.278   5.728  -0.222
  243   2HD2  LEU  33          2HD2      LEU  33 -10.597   4.869   0.499
  244   3HD2  LEU  33          3HD2      LEU  33 -10.922   6.160  -0.661
  245    H    VAL  34           H        VAL  34  -7.601  10.298   1.087
  246    HA   VAL  34           HA       VAL  34  -5.639  10.191  -0.990
  247    HB   VAL  34           HB       VAL  34  -6.743  12.154   0.796
  248   1HG1  VAL  34          1HG1      VAL  34  -4.541  12.758  -1.211
  249   2HG1  VAL  34          2HG1      VAL  34  -5.565  13.998  -0.444
  250   3HG1  VAL  34          3HG1      VAL  34  -4.469  13.025   0.543
  251   1HG2  VAL  34          1HG2      VAL  34  -8.081  11.414  -1.113
  252   2HG2  VAL  34          2HG2      VAL  34  -7.656  13.121  -1.260
  253   3HG2  VAL  34          3HG2      VAL  34  -6.772  11.901  -2.215
  254    H    LYS  35           H        LYS  35  -5.607   9.908   2.449
  255    HA   LYS  35           HA       LYS  35  -2.754  10.595   2.795
  256   1HB   LYS  35          1HB       LYS  35  -4.493  11.639   3.986
  257   2HB   LYS  35          2HB       LYS  35  -5.176  10.054   4.394
  258   1HG   LYS  35          1HG       LYS  35  -3.378   9.524   5.788
  259   2HG   LYS  35          2HG       LYS  35  -2.598  11.083   5.477
  260   1HD   LYS  35          1HD       LYS  35  -4.647  12.303   6.152
  261   2HD   LYS  35          2HD       LYS  35  -5.497  10.788   6.391
  262   1HE   LYS  35          1HE       LYS  35  -3.931  10.291   8.299
  263   2HE   LYS  35          2HE       LYS  35  -3.405  12.000   8.168
  264   1HZ   LYS  35          1HZ       LYS  35  -6.020  12.333   8.150
  265   2HZ   LYS  35          2HZ       LYS  35  -5.992  10.842   8.841
  266   3HZ   LYS  35          3HZ       LYS  35  -5.250  12.067   9.615
  267    H    LEU  36           H        LEU  36  -4.884   7.604   3.073
  268    HA   LEU  36           HA       LEU  36  -2.775   5.965   3.957
  269   1HB   LEU  36          1HB       LEU  36  -5.675   5.732   2.869
  270   2HB   LEU  36          2HB       LEU  36  -4.751   4.321   3.253
  271    HG   LEU  36           HG       LEU  36  -5.616   6.431   5.134
  272   1HD1  LEU  36          1HD1      LEU  36  -7.081   4.607   4.547
  273   2HD1  LEU  36          2HD1      LEU  36  -5.798   3.521   5.226
  274   3HD1  LEU  36          3HD1      LEU  36  -6.656   4.691   6.280
  275   1HD2  LEU  36          1HD2      LEU  36  -3.471   4.462   5.497
  276   2HD2  LEU  36          2HD2      LEU  36  -3.524   6.184   5.976
  277   3HD2  LEU  36          3HD2      LEU  36  -4.474   5.029   6.895
  278    H    VAL  37           H        VAL  37  -4.158   7.180   0.927
  279    HA   VAL  37           HA       VAL  37  -2.745   5.605  -0.814
  280    HB   VAL  37           HB       VAL  37  -3.904   8.349  -0.784
  281   1HG1  VAL  37          1HG1      VAL  37  -1.746   7.811  -2.805
  282   2HG1  VAL  37          2HG1      VAL  37  -3.051   8.991  -3.061
  283   3HG1  VAL  37          3HG1      VAL  37  -1.922   9.209  -1.735
  284   1HG2  VAL  37          1HG2      VAL  37  -5.091   6.365  -1.617
  285   2HG2  VAL  37          2HG2      VAL  37  -5.021   7.711  -2.766
  286   3HG2  VAL  37          3HG2      VAL  37  -3.948   6.310  -2.989
  287    H    THR  38           H        THR  38  -1.731   8.510   0.973
  288    HA   THR  38           HA       THR  38   0.748   8.646  -0.398
  289    HB   THR  38           HB       THR  38  -0.864  10.309   0.836
  290    HG1  THR  38           HG1      THR  38   0.712  10.464  -1.074
  291   1HG2  THR  38          1HG2      THR  38   0.344  10.164   2.990
  292   2HG2  THR  38          2HG2      THR  38   1.872  10.531   2.153
  293   3HG2  THR  38          3HG2      THR  38   0.595  11.761   2.249
  294    H    HIS  39           H        HIS  39  -0.351   7.586   2.818
  295    HA   HIS  39           HA       HIS  39   2.159   6.910   3.951
  296   1HB   HIS  39          1HB       HIS  39  -0.357   6.654   4.878
  297   2HB   HIS  39          2HB       HIS  39  -0.161   5.125   4.076
  298    HD1  HIS  39           HD1      HIS  39   2.677   6.737   6.302
  299    HD2  HIS  39           HD2      HIS  39   0.266   3.355   5.788
  300    HE1  HIS  39           HE1      HIS  39   3.014   5.381   8.332
  301    H    PHE  40           H        PHE  40   0.105   5.135   1.527
  302    HA   PHE  40           HA       PHE  40   1.985   2.951   1.285
  303   1HB   PHE  40          1HB       PHE  40  -0.330   3.061   0.223
  304   2HB   PHE  40          2HB       PHE  40   0.376   4.033  -1.055
  305    HD1  PHE  40           HD1      PHE  40   2.791   2.917  -2.045
  306    HD2  PHE  40           HD2      PHE  40  -0.535   0.848  -0.249
  307    HE1  PHE  40           HE1      PHE  40   3.323   0.938  -3.343
  308    HE2  PHE  40           HE2      PHE  40  -0.030  -1.145  -1.649
  309    HZ   PHE  40           HZ       PHE  40   1.890  -1.115  -3.205
  310    H    GLU  41           H        GLU  41   1.683   5.862  -0.727
  311    HA   GLU  41           HA       GLU  41   3.947   5.760  -2.347
  312   1HB   GLU  41          1HB       GLU  41   2.899   8.126  -1.229
  313   2HB   GLU  41          2HB       GLU  41   3.826   7.998  -2.720
  314   1HG   GLU  41          1HG       GLU  41   1.977   6.659  -3.705
  315   2HG   GLU  41          2HG       GLU  41   1.050   6.844  -2.277
  316    H    GLU  42           H        GLU  42   3.830   6.596   1.046
  317    HA   GLU  42           HA       GLU  42   6.339   7.733   1.376
  318   1HB   GLU  42          1HB       GLU  42   4.625   8.394   2.679
  319   2HB   GLU  42          2HB       GLU  42   4.442   6.721   2.982
  320   1HG   GLU  42          1HG       GLU  42   6.953   7.493   4.079
  321   2HG   GLU  42          2HG       GLU  42   5.636   8.609   4.564
  322    H    MET  43           H        MET  43   4.824   4.815   2.286
  323    HA   MET  43           HA       MET  43   6.624   3.819   3.895
  324   1HB   MET  43          1HB       MET  43   4.232   2.818   2.451
  325   2HB   MET  43          2HB       MET  43   5.250   1.560   3.023
  326   1HG   MET  43          1HG       MET  43   5.302   2.470   5.270
  327   2HG   MET  43          2HG       MET  43   4.421   3.904   4.749
  328   1HE   MET  43          1HE       MET  43   3.808   2.660   7.143
  329   2HE   MET  43          2HE       MET  43   2.433   1.535   7.253
  330   3HE   MET  43          3HE       MET  43   4.040   0.932   6.787
  331    H    THR  44           H        THR  44   6.682   3.393   0.514
  332    HA   THR  44           HA       THR  44   8.557   1.083   0.701
  333    HB   THR  44           HB       THR  44   6.569   0.114   0.227
  334    HG1  THR  44           HG1      THR  44   8.102   0.587  -1.968
  335   1HG2  THR  44          1HG2      THR  44   5.775   2.506  -1.413
  336   2HG2  THR  44          2HG2      THR  44   4.949   0.937  -1.544
  337   3HG2  THR  44          3HG2      THR  44   5.009   1.740   0.005
  338    H    GLU  45           H        GLU  45   8.481   4.270  -0.323
  339    HA   GLU  45           HA       GLU  45   9.399   5.481  -2.021
  340   1HB   GLU  45          1HB       GLU  45  11.398   3.267  -2.051
  341   2HB   GLU  45          2HB       GLU  45  11.674   4.831  -2.743
  342   1HG   GLU  45          1HG       GLU  45  11.896   5.873  -0.608
  343   2HG   GLU  45          2HG       GLU  45  11.147   4.504   0.242
  344    H    HIS  46           H        HIS  46   7.300   3.475  -2.850
  345    HA   HIS  46           HA       HIS  46   8.498   1.958  -4.986
  346   1HB   HIS  46          1HB       HIS  46   6.618   0.942  -3.852
  347   2HB   HIS  46          2HB       HIS  46   5.547   2.252  -4.356
  348    HD1  HIS  46           HD1      HIS  46   4.894   2.277  -7.013
  349    HD2  HIS  46           HD2      HIS  46   7.218  -1.018  -5.762
  350    HE1  HIS  46           HE1      HIS  46   4.983   0.608  -8.944
  351    HA   PRO  47           HA       PRO  47   8.615   4.869  -8.448
  352   1HB   PRO  47          2HB       PRO  47   7.166   2.374  -9.420
  353   2HB   PRO  47          1HB       PRO  47   8.248   3.458 -10.366
  354   1HG   PRO  47          1HG       PRO  47   9.259   1.213  -9.036
  355   2HG   PRO  47          2HG       PRO  47  10.141   2.755  -9.089
  356   1HD   PRO  47          2HD       PRO  47   8.640   1.355  -7.000
  357   2HD   PRO  47          1HD       PRO  47   9.988   2.504  -6.844
  358    H    SER  48           H        SER  48   5.637   3.135  -8.518
  359    HA   SER  48           HA       SER  48   4.429   4.545 -10.181
  360   1HB   SER  48          1HB       SER  48   3.417   3.302  -7.705
  361   2HB   SER  48          2HB       SER  48   2.283   3.840  -8.903
  362    HG   SER  48           HG       SER  48   3.001   2.336 -10.314
  363    H    GLY  49           H        GLY  49   4.085   5.148  -6.860
  364   1HA   GLY  49          2HA       GLY  49   3.298   7.931  -6.619
  365   2HA   GLY  49          1HA       GLY  49   2.867   6.651  -5.525
  366    H    SER  50           H        SER  50   0.913   5.630  -5.684
  367    HA   SER  50           HA       SER  50  -1.128   5.075  -6.200
  368   1HB   SER  50          1HB       SER  50  -1.271   7.916  -7.236
  369   2HB   SER  50          2HB       SER  50  -2.668   6.884  -6.880
  370    HG   SER  50           HG       SER  50  -0.696   7.915  -5.093
  371    H    ASP  51           H        ASP  51   0.773   4.560  -8.489
  372    HA   ASP  51           HA       ASP  51  -0.850   4.336 -10.884
  373   1HB   ASP  51          1HB       ASP  51   1.796   5.337 -10.634
  374   2HB   ASP  51          2HB       ASP  51   1.984   3.642 -11.038
  375    H    LEU  52           H        LEU  52  -0.003   3.025  -7.761
  376    HA   LEU  52           HA       LEU  52  -0.606   0.586  -9.073
  377   1HB   LEU  52          1HB       LEU  52   0.432  -0.568  -7.006
  378   2HB   LEU  52          2HB       LEU  52   1.374  -0.159  -8.437
  379    HG   LEU  52           HG       LEU  52   2.541   1.513  -7.372
  380   1HD1  LEU  52          1HD1      LEU  52   0.860   1.221  -4.891
  381   2HD1  LEU  52          2HD1      LEU  52   2.344   2.195  -5.059
  382   3HD1  LEU  52          3HD1      LEU  52   0.897   2.658  -5.953
  383   1HD2  LEU  52          1HD2      LEU  52   3.178  -0.726  -6.967
  384   2HD2  LEU  52          2HD2      LEU  52   3.530   0.332  -5.578
  385   3HD2  LEU  52          3HD2      LEU  52   2.124  -0.782  -5.518
  386    H    ILE  53           H        ILE  53  -2.301   2.856  -8.088
  387    HA   ILE  53           HA       ILE  53  -3.432   1.403  -5.861
  388    HB   ILE  53           HB       ILE  53  -2.942   4.298  -5.981
  389   1HG1  ILE  53          1HG1      ILE  53  -1.167   2.545  -5.025
  390   2HG1  ILE  53          2HG1      ILE  53  -1.750   3.740  -3.932
  391   1HG2  ILE  53          1HG2      ILE  53  -4.873   2.674  -4.338
  392   2HG2  ILE  53          2HG2      ILE  53  -4.281   4.317  -3.896
  393   3HG2  ILE  53          3HG2      ILE  53  -5.162   4.033  -5.406
  394   1HD1  ILE  53          1HD1      ILE  53  -2.770   1.012  -4.024
  395   2HD1  ILE  53          2HD1      ILE  53  -1.497   1.656  -2.978
  396   3HD1  ILE  53          3HD1      ILE  53  -3.170   2.300  -2.850
  397    H    TYR  54           H        TYR  54  -3.907   3.840  -8.540
  398    HA   TYR  54           HA       TYR  54  -6.291   2.294  -9.327
  399   1HB   TYR  54          1HB       TYR  54  -6.861   5.145  -9.452
  400   2HB   TYR  54          2HB       TYR  54  -7.868   3.763  -9.077
  401    HD1  TYR  54           HD1      TYR  54  -8.017   2.960  -6.660
  402    HD2  TYR  54           HD2      TYR  54  -5.637   6.400  -7.688
  403    HE1  TYR  54           HE1      TYR  54  -8.360   3.848  -4.395
  404    HE2  TYR  54           HE2      TYR  54  -5.669   7.090  -5.307
  405    HH   TYR  54           HH       TYR  54  -6.662   6.783  -3.234
  406    H    TYR  55           H        TYR  55  -3.649   4.422 -10.340
  407    HA   TYR  55           HA       TYR  55  -4.803   4.723 -13.002
  408   1HB   TYR  55          1HB       TYR  55  -1.948   5.226 -12.467
  409   2HB   TYR  55          2HB       TYR  55  -3.040   6.073 -13.524
  410    HD1  TYR  55           HD1      TYR  55  -5.242   6.858 -11.571
  411    HD2  TYR  55           HD2      TYR  55  -0.946   6.915 -11.202
  412    HE1  TYR  55           HE1      TYR  55  -5.410   8.584  -9.788
  413    HE2  TYR  55           HE2      TYR  55  -1.089   8.611  -9.452
  414    HH   TYR  55           HH       TYR  55  -2.538   9.769  -8.026
  415    HA   PRO  56           HA       PRO  56  -1.930   1.010 -14.122
  416   1HB   PRO  56          1HB       PRO  56  -1.976  -1.162 -12.528
  417   2HB   PRO  56          2HB       PRO  56  -0.915   0.209 -12.133
  418   1HG   PRO  56          2HG       PRO  56  -3.787  -0.188 -11.185
  419   2HG   PRO  56          1HG       PRO  56  -2.351  -0.077 -10.116
  420   1HD   PRO  56          1HD       PRO  56  -3.944   1.878 -10.701
  421   2HD   PRO  56          2HD       PRO  56  -2.205   2.256 -10.638
  422    H    LYS  57           H        LYS  57  -2.923  -1.537 -14.380
  423    HA   LYS  57           HA       LYS  57  -4.990  -2.848 -13.645
  424   1HB   LYS  57          1HB       LYS  57  -6.327  -0.932 -13.378
  425   2HB   LYS  57          2HB       LYS  57  -6.310  -0.679 -15.141
  426   1HG   LYS  57          1HG       LYS  57  -7.569  -2.703 -15.538
  427   2HG   LYS  57          2HG       LYS  57  -7.326  -3.256 -13.868
  428   1HD   LYS  57          1HD       LYS  57  -9.517  -2.281 -14.175
  429   2HD   LYS  57          2HD       LYS  57  -8.516  -1.404 -12.993
  430   1HE   LYS  57          1HE       LYS  57  -9.804   0.180 -14.529
  431   2HE   LYS  57          2HE       LYS  57  -8.054   0.386 -14.512
  432   1HZ   LYS  57          1HZ       LYS  57  -8.056  -1.075 -16.601
  433   2HZ   LYS  57          2HZ       LYS  57  -9.629  -0.820 -16.708
  434   3HZ   LYS  57          3HZ       LYS  57  -8.530   0.410 -16.798
  435    H    GLU  58           H        GLU  58  -3.919  -1.252 -16.326
  436    HA   GLU  58           HA       GLU  58  -5.409  -2.714 -18.092
  437   1HB   GLU  58          1HB       GLU  58  -4.582  -0.305 -17.912
  438   2HB   GLU  58          2HB       GLU  58  -3.562  -1.014 -19.242
  439   1HG   GLU  58          1HG       GLU  58  -5.508  -0.171 -20.321
  440   2HG   GLU  58          2HG       GLU  58  -5.765  -1.920 -20.153
  441    H    GLY  59           H        GLY  59  -2.881  -3.564 -17.319
  442   1HA   GLY  59          2HA       GLY  59  -1.603  -5.147 -19.298
  443   2HA   GLY  59          1HA       GLY  59  -3.112  -5.940 -18.716
  444    H    ASP  60           H        ASP  60  -2.738  -4.316 -16.151
  445    HA   ASP  60           HA       ASP  60  -0.380  -5.547 -14.829
  446   1HB   ASP  60          1HB       ASP  60  -1.273  -2.691 -15.317
  447   2HB   ASP  60          2HB       ASP  60  -0.347  -3.056 -13.870
  448    H    ASP  61           H        ASP  61  -0.932  -6.599 -13.312
  449    HA   ASP  61           HA       ASP  61  -3.474  -6.824 -12.286
  450   1HB   ASP  61          1HB       ASP  61  -2.229  -8.747 -12.237
  451   2HB   ASP  61          2HB       ASP  61  -1.145  -7.894 -11.177
  452    H    ASP  62           H        ASP  62  -4.319  -4.910 -11.468
  453    HA   ASP  62           HA       ASP  62  -3.014  -3.492  -9.186
  454   1HB   ASP  62          1HB       ASP  62  -4.458  -1.742  -9.907
  455   2HB   ASP  62          2HB       ASP  62  -3.796  -2.409 -11.417
  456    H    SER  63           H        SER  63  -5.056  -6.167  -9.559
  457    HA   SER  63           HA       SER  63  -7.376  -5.505  -8.039
  458   1HB   SER  63          1HB       SER  63  -5.788  -7.961  -7.335
  459   2HB   SER  63          2HB       SER  63  -7.520  -7.781  -7.401
  460    HG   SER  63           HG       SER  63  -5.679  -8.078  -9.565
  461    HA   PRO  64           HA       PRO  64  -5.600  -3.727  -4.483
  462   1HB   PRO  64          2HB       PRO  64  -7.137  -5.700  -2.761
  463   2HB   PRO  64          1HB       PRO  64  -6.831  -3.982  -2.510
  464   1HG   PRO  64          1HG       PRO  64  -9.168  -4.675  -3.650
  465   2HG   PRO  64          2HG       PRO  64  -8.208  -3.397  -4.481
  466   1HD   PRO  64          2HD       PRO  64  -8.239  -6.357  -4.986
  467   2HD   PRO  64          1HD       PRO  64  -8.414  -5.103  -6.234
  468    H    SER  65           H        SER  65  -5.364  -7.074  -4.720
  469    HA   SER  65           HA       SER  65  -3.089  -7.519  -2.967
  470   1HB   SER  65          1HB       SER  65  -3.349  -9.721  -4.056
  471   2HB   SER  65          2HB       SER  65  -4.664  -9.172  -2.946
  472    HG   SER  65           HG       SER  65  -4.704  -9.510  -5.772
  473    H    GLY  66           H        GLY  66  -3.609  -7.475  -6.425
  474   1HA   GLY  66          2HA       GLY  66  -2.387  -7.392  -8.120
  475   2HA   GLY  66          1HA       GLY  66  -1.111  -8.193  -7.348
  476    H    ILE  67           H        ILE  67  -2.830  -5.053  -6.426
  477    HA   ILE  67           HA       ILE  67  -0.581  -3.646  -7.286
  478    HB   ILE  67           HB       ILE  67  -1.320  -1.747  -5.758
  479   1HG1  ILE  67          1HG1      ILE  67  -3.580  -3.649  -5.321
  480   2HG1  ILE  67          2HG1      ILE  67  -2.538  -2.811  -4.240
  481   1HG2  ILE  67          1HG2      ILE  67  -1.942  -2.087  -8.218
  482   2HG2  ILE  67          2HG2      ILE  67  -3.503  -2.684  -7.506
  483   3HG2  ILE  67          3HG2      ILE  67  -3.045  -1.030  -7.279
  484   1HD1  ILE  67          1HD1      ILE  67  -3.646  -0.633  -4.950
  485   2HD1  ILE  67          2HD1      ILE  67  -4.834  -1.612  -5.824
  486   3HD1  ILE  67          3HD1      ILE  67  -4.718  -1.721  -4.077
  487    H    VAL  68           H        VAL  68  -1.423  -4.936  -4.235
  488    HA   VAL  68           HA       VAL  68   0.889  -3.622  -2.967
  489    HB   VAL  68           HB       VAL  68  -0.897  -5.910  -1.942
  490   1HG1  VAL  68          1HG1      VAL  68   0.752  -3.724  -0.447
  491   2HG1  VAL  68          2HG1      VAL  68  -0.351  -4.811   0.355
  492   3HG1  VAL  68          3HG1      VAL  68   1.121  -5.471  -0.394
  493   1HG2  VAL  68          1HG2      VAL  68  -2.013  -3.631  -2.485
  494   2HG2  VAL  68          2HG2      VAL  68  -2.222  -4.209  -0.881
  495   3HG2  VAL  68          3HG2      VAL  68  -1.071  -2.921  -1.226
  496    H    ASN  69           H        ASN  69   0.136  -6.228  -4.664
  497    HA   ASN  69           HA       ASN  69   2.576  -7.851  -4.759
  498   1HB   ASN  69          1HB       ASN  69   0.204  -7.810  -5.934
  499   2HB   ASN  69          2HB       ASN  69   1.425  -8.341  -7.017
  500   2HD2  ASN  69          2HD2      ASN  69  -0.764  -9.981  -6.067
  501   1HD2  ASN  69          1HD2      ASN  69  -0.196 -11.132  -4.858
  502    H    THR  70           H        THR  70   1.422  -5.040  -6.619
  503    HA   THR  70           HA       THR  70   3.427  -5.360  -8.426
  504    HB   THR  70           HB       THR  70   1.903  -2.884  -7.524
  505    HG1  THR  70           HG1      THR  70   0.744  -4.691  -8.634
  506   1HG2  THR  70          1HG2      THR  70   3.552  -3.115 -10.070
  507   2HG2  THR  70          2HG2      THR  70   2.445  -1.793  -9.664
  508   3HG2  THR  70          3HG2      THR  70   3.901  -2.045  -8.693
  509    H    VAL  71           H        VAL  71   3.069  -3.645  -5.466
  510    HA   VAL  71           HA       VAL  71   5.672  -2.517  -5.157
  511    HB   VAL  71           HB       VAL  71   3.419  -3.006  -3.244
  512   1HG1  VAL  71          1HG1      VAL  71   6.045  -3.616  -2.102
  513   2HG1  VAL  71          2HG1      VAL  71   4.658  -2.880  -1.243
  514   3HG1  VAL  71          3HG1      VAL  71   4.490  -4.462  -1.961
  515   1HG2  VAL  71          1HG2      VAL  71   4.417  -0.972  -4.212
  516   2HG2  VAL  71          2HG2      VAL  71   4.412  -0.996  -2.420
  517   3HG2  VAL  71          3HG2      VAL  71   5.916  -1.343  -3.339
  518    H    LYS  72           H        LYS  72   4.360  -5.559  -4.337
  519    HA   LYS  72           HA       LYS  72   6.747  -6.681  -3.219
  520   1HB   LYS  72          1HB       LYS  72   4.158  -7.579  -3.831
  521   2HB   LYS  72          2HB       LYS  72   5.199  -8.777  -4.604
  522   1HG   LYS  72          1HG       LYS  72   5.103  -9.428  -2.350
  523   2HG   LYS  72          2HG       LYS  72   6.589  -8.446  -2.356
  524   1HD   LYS  72          2HD       LYS  72   5.676  -7.148  -0.872
  525   2HD   LYS  72          1HD       LYS  72   4.559  -6.559  -2.016
  526   1HE   LYS  72          2HE       LYS  72   3.982  -8.943  -0.274
  527   2HE   LYS  72          1HE       LYS  72   3.211  -7.345  -0.198
  528   1HZ   LYS  72          1HZ       LYS  72   2.919  -9.236  -2.468
  529   2HZ   LYS  72          2HZ       LYS  72   1.865  -9.039  -1.269
  530   3HZ   LYS  72          3HZ       LYS  72   2.162  -7.774  -2.294
  531    H    GLN  73           H        GLN  73   6.476  -5.969  -6.172
  532    HA   GLN  73           HA       GLN  73   8.447  -7.689  -7.138
  533   1HB   GLN  73          2HB       GLN  73   6.355  -6.204  -8.724
  534   2HB   GLN  73          1HB       GLN  73   7.603  -7.255  -9.449
  535   1HG   GLN  73          1HG       GLN  73   6.928  -9.032  -7.791
  536   2HG   GLN  73          2HG       GLN  73   5.687  -8.114  -7.237
  537   2HE2  GLN  73          2HE2      GLN  73   3.762  -7.975  -8.183
  538   1HE2  GLN  73          1HE2      GLN  73   3.310  -8.848  -9.654
  539    H    TRP  74           H        TRP  74   7.750  -4.281  -7.050
  540    HA   TRP  74           HA       TRP  74  10.334  -3.432  -8.051
  541   1HB   TRP  74          1HB       TRP  74   8.371  -1.911  -8.043
  542   2HB   TRP  74          2HB       TRP  74   8.886  -1.711  -6.333
  543    HD1  TRP  74           HD1      TRP  74  10.239  -1.236  -9.808
  544    HE1  TRP  74           HE1      TRP  74  12.137   0.501  -9.784
  545    HE3  TRP  74           HE3      TRP  74  10.303  -0.381  -4.834
  546    HZ2  TRP  74           HZ2      TRP  74  13.329   2.264  -7.787
  547    HZ3  TRP  74           HZ3      TRP  74  11.572   1.421  -3.938
  548    HH2  TRP  74           HH2      TRP  74  13.113   2.818  -5.368
  549    H    ARG  75           H        ARG  75   8.706  -3.524  -4.852
  550    HA   ARG  75           HA       ARG  75  11.081  -3.209  -3.364
  551   1HB   ARG  75          1HB       ARG  75   8.427  -4.675  -2.604
  552   2HB   ARG  75          2HB       ARG  75   9.699  -4.378  -1.489
  553   1HG   ARG  75          1HG       ARG  75   9.370  -1.838  -2.009
  554   2HG   ARG  75          2HG       ARG  75   7.859  -2.346  -2.711
  555   1HD   ARG  75          2HD       ARG  75   8.526  -1.820   0.015
  556   2HD   ARG  75          1HD       ARG  75   6.963  -2.242  -0.636
  557    HE   ARG  75           HE       ARG  75   9.006  -4.247   0.247
  558   1HH1  ARG  75          1HH1      ARG  75   5.668  -3.105   0.479
  559   2HH1  ARG  75          2HH1      ARG  75   5.187  -4.363   1.560
  560   1HH2  ARG  75          1HH2      ARG  75   8.336  -5.994   1.417
  561   2HH2  ARG  75          2HH2      ARG  75   6.705  -6.096   2.057
  562    H    ALA  76           H        ALA  76  10.291  -5.774  -5.161
  563    HA   ALA  76           HA       ALA  76  11.871  -7.528  -3.383
  564   1HB   ALA  76          1HB       ALA  76   9.997  -8.376  -5.620
  565   2HB   ALA  76          3HB       ALA  76  10.945  -9.512  -4.650
  566   3HB   ALA  76          2HB       ALA  76   9.688  -8.540  -3.861
  567    H    ALA  77           H        ALA  77  11.821  -5.994  -6.295
  568    HA   ALA  77           HA       ALA  77  14.236  -7.484  -7.156
  569   1HB   ALA  77          1HB       ALA  77  12.413  -7.030  -8.887
  570   2HB   ALA  77          3HB       ALA  77  12.623  -5.292  -8.598
  571   3HB   ALA  77          2HB       ALA  77  13.937  -6.219  -9.349
  572    H    ASN  78           H        ASN  78  13.212  -4.462  -6.155
  573    HA   ASN  78           HA       ASN  78  15.859  -3.337  -5.957
  574   1HB   ASN  78          1HB       ASN  78  13.352  -2.305  -6.473
  575   2HB   ASN  78          2HB       ASN  78  13.282  -2.302  -4.785
  576   2HD2  ASN  78          2HD2      ASN  78  14.796  -0.891  -7.659
  577   1HD2  ASN  78          1HD2      ASN  78  15.676   0.384  -6.823
  578    H    GLY  79           H        GLY  79  13.896  -5.359  -4.479
  579   1HA   GLY  79          2HA       GLY  79  15.811  -6.086  -2.466
  580   2HA   GLY  79          1HA       GLY  79  14.174  -6.757  -2.560
  581    H    LYS  80           H        LYS  80  13.153  -4.056  -2.427
  582    HA   LYS  80           HA       LYS  80  14.059  -2.232  -0.679
  583   1HB   LYS  80          1HB       LYS  80  11.230  -2.683  -0.746
  584   2HB   LYS  80          2HB       LYS  80  12.027  -1.217  -0.150
  585   1HG   LYS  80          1HG       LYS  80  12.655  -2.357  -2.838
  586   2HG   LYS  80          2HG       LYS  80  11.348  -1.370  -2.675
  587   1HD   LYS  80          1HD       LYS  80  13.968  -0.946  -2.333
  588   2HD   LYS  80          2HD       LYS  80  13.009  -0.499  -3.659
  589   1HE   LYS  80          1HE       LYS  80  11.766   1.041  -2.340
  590   2HE   LYS  80          2HE       LYS  80  12.449   0.646  -0.995
  591   1HZ   LYS  80          1HZ       LYS  80  14.714   1.385  -2.223
  592   2HZ   LYS  80          2HZ       LYS  80  13.623   2.410  -2.935
  593   3HZ   LYS  80          3HZ       LYS  80  13.810   2.417  -1.337
  594    H    SER  81           H        SER  81  11.673  -4.281   0.454
  595    HA   SER  81           HA       SER  81  12.148  -4.391   3.370
  596   1HB   SER  81          1HB       SER  81   9.712  -3.346   3.296
  597   2HB   SER  81          2HB       SER  81  11.177  -2.459   3.682
  598    HG   SER  81           HG       SER  81  10.416  -1.199   2.132
  599    H    GLY  82           H        GLY  82  10.885  -5.481   4.317
  600   1HA   GLY  82          2HA       GLY  82  11.002  -7.850   3.920
  601   2HA   GLY  82          1HA       GLY  82   9.527  -7.742   2.901
  602    H    PHE  83           H        PHE  83   8.593  -5.673   4.829
  603    HA   PHE  83           HA       PHE  83   7.437  -5.271   6.557
  604   1HB   PHE  83          2HB       PHE  83   6.371  -7.971   5.760
  605   2HB   PHE  83          1HB       PHE  83   5.580  -6.585   6.538
  606    HD1  PHE  83           HD1      PHE  83   4.666  -4.806   5.398
  607    HD2  PHE  83           HD2      PHE  83   6.121  -8.370   3.626
  608    HE1  PHE  83           HE1      PHE  83   3.473  -4.250   3.464
  609    HE2  PHE  83           HE2      PHE  83   4.907  -7.950   1.652
  610    HZ   PHE  83           HZ       PHE  83   3.512  -5.798   1.408
  611    H    LYS  84           H        LYS  84   6.543  -8.005   7.304
  612    HA   LYS  84           HA       LYS  84   7.257  -8.947   9.857
  613   1HB   LYS  84          1HB       LYS  84   6.261  -6.693  10.045
  614   2HB   LYS  84          2HB       LYS  84   4.827  -7.630   9.643
  615   1HG   LYS  84          1HG       LYS  84   4.971  -9.087  11.466
  616   2HG   LYS  84          2HG       LYS  84   6.632  -8.562  11.809
  617   1HD   LYS  84          1HD       LYS  84   5.318  -7.511  13.373
  618   2HD   LYS  84          2HD       LYS  84   5.854  -6.308  12.166
  619   1HE   LYS  84          1HE       LYS  84   3.671  -5.644  12.697
  620   2HE   LYS  84          2HE       LYS  84   3.552  -6.439  11.141
  621   1HZ   LYS  84          1HZ       LYS  84   2.797  -8.434  12.602
  622   2HZ   LYS  84          2HZ       LYS  84   2.542  -7.297  13.735
  623   3HZ   LYS  84          3HZ       LYS  84   1.779  -7.147  12.280
  624    H    GLN  85           H        GLN  85   5.877 -10.515  10.247
  625    HA   GLN  85           HA       GLN  85   4.946 -12.102   8.033
  626   1HB   GLN  85          1HB       GLN  85   5.174 -13.885   9.764
  627   2HB   GLN  85          2HB       GLN  85   6.486 -13.257   8.839
  628   1HG   GLN  85          1HG       GLN  85   7.554 -12.219  10.340
  629   2HG   GLN  85          2HG       GLN  85   6.137 -11.868  11.343
  630   2HE2  GLN  85          2HE2      GLN  85   5.695 -13.083  13.152
  631   1HE2  GLN  85          1HE2      GLN  85   6.549 -14.580  13.533
  632    H    GLY  86           H        GLY  86   4.574 -12.184  11.071
  633   1HA   GLY  86          2HA       GLY  86   2.331 -12.954  12.264
  634   2HA   GLY  86          1HA       GLY  86   1.795 -11.396  11.533

  No H/Q in entry =         634
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   2.712   0.774  14.930
    2    H2   MET   1           H2       MET   1   3.276   2.201  14.384
    3    H3   MET   1           H3       MET   1   3.365   1.853  15.977
    4    HA   MET   1           HA       MET   1   0.941   1.926  16.165
    5   1HB   MET   1          1HB       MET   1   0.855   4.117  16.432
    6   2HB   MET   1          2HB       MET   1   2.580   3.989  16.278
    7   1HG   MET   1          1HG       MET   1   2.302   4.660  13.814
    8   2HG   MET   1          2HG       MET   1   0.616   4.990  14.180
    9   1HE   MET   1          1HE       MET   1  -0.264   6.759  15.762
   10   2HE   MET   1          2HE       MET   1   0.714   6.217  17.137
   11   3HE   MET   1          3HE       MET   1   0.720   7.930  16.673
   12    H    GLU   2           H        GLU   2  -0.946   1.615  15.081
   13    HA   GLU   2           HA       GLU   2  -2.600   1.572  13.320
   14   1HB   GLU   2          1HB       GLU   2  -1.305   4.265  13.549
   15   2HB   GLU   2          2HB       GLU   2  -2.882   3.891  12.860
   16   1HG   GLU   2          2HG       GLU   2  -3.370   4.615  15.013
   17   2HG   GLU   2          1HG       GLU   2  -3.525   2.856  15.082
   18    H    LEU   3           H        LEU   3  -0.163   3.514  11.706
   19    HA   LEU   3           HA       LEU   3  -1.496   2.867   9.447
   20   1HB   LEU   3          1HB       LEU   3  -1.249   5.250  10.871
   21   2HB   LEU   3          2HB       LEU   3   0.025   5.438   9.672
   22    HG   LEU   3           HG       LEU   3  -2.800   4.427   8.970
   23   1HD1  LEU   3          1HD1      LEU   3  -2.878   6.734  10.050
   24   2HD1  LEU   3          2HD1      LEU   3  -1.789   7.322   8.755
   25   3HD1  LEU   3          3HD1      LEU   3  -3.412   6.675   8.376
   26   1HD2  LEU   3          1HD2      LEU   3  -0.264   5.390   7.534
   27   2HD2  LEU   3          2HD2      LEU   3  -1.311   3.989   7.196
   28   3HD2  LEU   3          3HD2      LEU   3  -1.787   5.639   6.756
   29    H    LYS   4           H        LYS   4   1.289   4.342  10.430
   30    HA   LYS   4           HA       LYS   4   3.014   2.961  11.370
   31   1HB   LYS   4          1HB       LYS   4   2.906   1.532   8.742
   32   2HB   LYS   4          2HB       LYS   4   4.373   1.628   9.614
   33   1HG   LYS   4          2HG       LYS   4   3.481  -0.349  10.246
   34   2HG   LYS   4          1HG       LYS   4   3.464   0.832  11.608
   35   1HD   LYS   4          1HD       LYS   4   1.060   1.057  11.177
   36   2HD   LYS   4          2HD       LYS   4   1.084  -0.350  10.191
   37   1HE   LYS   4          1HE       LYS   4   1.979  -0.231  13.097
   38   2HE   LYS   4          2HE       LYS   4   0.268  -0.340  12.640
   39   1HZ   LYS   4          1HZ       LYS   4   0.701  -2.469  11.603
   40   2HZ   LYS   4          2HZ       LYS   4   2.297  -2.386  12.016
   41   3HZ   LYS   4          3HZ       LYS   4   1.143  -2.488  13.142
   42    H    HIS   5           H        HIS   5   5.331   2.790  10.515
   43    HA   HIS   5           HA       HIS   5   6.287   5.346   9.626
   44   1HB   HIS   5          2HB       HIS   5   8.014   4.040  11.630
   45   2HB   HIS   5          1HB       HIS   5   7.417   5.666  11.540
   46    HD1  HIS   5           HD1      HIS   5   5.445   6.269  13.215
   47    HD2  HIS   5           HD2      HIS   5   6.389   2.192  12.851
   48    HE1  HIS   5           HE1      HIS   5   4.330   5.115  15.199
   49    H    SER   6           H        SER   6   6.662   2.093   9.875
   50    HA   SER   6           HA       SER   6   8.303   1.925   7.615
   51   1HB   SER   6          1HB       SER   6   8.648  -0.314   9.014
   52   2HB   SER   6          2HB       SER   6   9.692   1.131   8.762
   53    HG   SER   6           HG       SER   6   9.253   1.855  10.758
   54    H    ILE   7           H        ILE   7   7.724   0.781   6.228
   55    HA   ILE   7           HA       ILE   7   5.657  -0.836   5.917
   56    HB   ILE   7           HB       ILE   7   7.930  -0.019   4.572
   57   1HG1  ILE   7          1HG1      ILE   7   5.475  -1.025   3.982
   58   2HG1  ILE   7          2HG1      ILE   7   6.598  -0.088   3.065
   59   1HG2  ILE   7          1HG2      ILE   7   9.254  -1.886   5.612
   60   2HG2  ILE   7          2HG2      ILE   7   8.361  -2.964   4.530
   61   3HG2  ILE   7          3HG2      ILE   7   9.347  -1.598   3.881
   62   1HD1  ILE   7          1HD1      ILE   7   6.561  -3.048   3.148
   63   2HD1  ILE   7          2HD1      ILE   7   5.774  -2.006   1.913
   64   3HD1  ILE   7          3HD1      ILE   7   7.564  -1.966   2.093
   65    H    SER   8           H        SER   8   7.661  -1.444   8.412
   66    HA   SER   8           HA       SER   8   7.411  -4.284   8.353
   67   1HB   SER   8          1HB       SER   8   9.297  -4.314   8.092
   68   2HB   SER   8          2HB       SER   8   9.400  -2.688   7.996
   69    HG   SER   8           HG       SER   8   9.621  -4.078  10.450
   70    H    ASP   9           H        ASP   9   6.482  -1.337   9.932
   71    HA   ASP   9           HA       ASP   9   6.160  -2.972  12.490
   72   1HB   ASP   9          1HB       ASP   9   5.523  -0.144  12.023
   73   2HB   ASP   9          2HB       ASP   9   4.038  -1.049  12.112
   74    H    TYR  10           H        TYR  10   4.882  -3.098   9.355
   75    HA   TYR  10           HA       TYR  10   2.375  -4.266  10.475
   76   1HB   TYR  10          2HB       TYR  10   1.015  -3.339   8.900
   77   2HB   TYR  10          1HB       TYR  10   1.972  -2.100   9.618
   78    HD1  TYR  10           HD1      TYR  10   4.294  -3.220   7.353
   79    HD2  TYR  10           HD2      TYR  10   0.405  -1.323   7.442
   80    HE1  TYR  10           HE1      TYR  10   4.570  -2.553   5.074
   81    HE2  TYR  10           HE2      TYR  10   0.826  -0.453   5.183
   82    HH   TYR  10           HH       TYR  10   2.354  -0.453   3.342
   83    H    THR  11           H        THR  11   1.595  -6.198   9.113
   84    HA   THR  11           HA       THR  11   3.929  -7.508   7.867
   85    HB   THR  11           HB       THR  11   3.083  -9.411   8.308
   86    HG1  THR  11           HG1      THR  11   0.939 -10.098   7.925
   87   1HG2  THR  11          1HG2      THR  11   2.495  -8.385  10.398
   88   2HG2  THR  11          2HG2      THR  11   0.819  -8.150   9.811
   89   3HG2  THR  11          3HG2      THR  11   1.463  -9.760  10.018
   90    H    GLU  12           H        GLU  12   3.355  -8.782   5.722
   91    HA   GLU  12           HA       GLU  12   2.845  -6.790   3.750
   92   1HB   GLU  12          1HB       GLU  12   4.329  -8.884   3.621
   93   2HB   GLU  12          2HB       GLU  12   2.832  -9.803   3.340
   94   1HG   GLU  12          1HG       GLU  12   2.308  -8.279   1.435
   95   2HG   GLU  12          2HG       GLU  12   3.682  -7.357   1.741
   96    H    ALA  13           H        ALA  13   0.729  -8.831   5.451
   97    HA   ALA  13           HA       ALA  13  -1.483  -8.671   3.449
   98   1HB   ALA  13          1HB       ALA  13  -1.141 -10.893   4.510
   99   2HB   ALA  13          3HB       ALA  13  -1.329 -10.150   6.120
  100   3HB   ALA  13          2HB       ALA  13  -2.693 -10.173   4.985
  101    H    GLU  14           H        GLU  14  -0.259  -7.435   6.477
  102    HA   GLU  14           HA       GLU  14  -2.527  -6.019   7.420
  103   1HB   GLU  14          1HB       GLU  14   0.004  -6.576   8.272
  104   2HB   GLU  14          2HB       GLU  14   0.284  -4.955   7.657
  105   1HG   GLU  14          1HG       GLU  14  -1.320  -3.992   9.042
  106   2HG   GLU  14          2HG       GLU  14  -1.957  -5.595   9.545
  107    H    PHE  15           H        PHE  15   0.139  -5.193   5.202
  108    HA   PHE  15           HA       PHE  15  -0.841  -2.558   4.556
  109   1HB   PHE  15          1HB       PHE  15   1.472  -3.409   4.251
  110   2HB   PHE  15          2HB       PHE  15   0.942  -4.443   2.944
  111    HD1  PHE  15           HD1      PHE  15  -0.369  -0.905   3.312
  112    HD2  PHE  15           HD2      PHE  15   2.444  -3.504   1.324
  113    HE1  PHE  15           HE1      PHE  15   0.519   1.006   2.091
  114    HE2  PHE  15           HE2      PHE  15   3.336  -1.528   0.078
  115    HZ   PHE  15           HZ       PHE  15   2.466   0.709   0.541
  116    H    LEU  16           H        LEU  16  -1.336  -5.838   3.286
  117    HA   LEU  16           HA       LEU  16  -2.342  -4.917   0.730
  118   1HB   LEU  16          1HB       LEU  16  -1.445  -7.153   1.258
  119   2HB   LEU  16          2HB       LEU  16  -2.852  -7.456   2.286
  120    HG   LEU  16           HG       LEU  16  -4.306  -7.760   0.564
  121   1HD1  LEU  16          1HD1      LEU  16  -3.819  -5.676  -0.771
  122   2HD1  LEU  16          2HD1      LEU  16  -2.463  -6.548  -1.521
  123   3HD1  LEU  16          3HD1      LEU  16  -4.163  -7.098  -1.680
  124   1HD2  LEU  16          1HD2      LEU  16  -2.490  -9.531   0.461
  125   2HD2  LEU  16          2HD2      LEU  16  -3.179  -9.252  -1.143
  126   3HD2  LEU  16          3HD2      LEU  16  -1.594  -8.556  -0.722
  127    H    GLN  17           H        GLN  17  -3.701  -5.492   3.920
  128    HA   GLN  17           HA       GLN  17  -6.234  -5.297   3.115
  129   1HB   GLN  17          1HB       GLN  17  -5.858  -6.520   5.158
  130   2HB   GLN  17          2HB       GLN  17  -4.790  -5.241   5.798
  131   1HG   GLN  17          1HG       GLN  17  -6.529  -3.766   6.170
  132   2HG   GLN  17          2HG       GLN  17  -7.697  -4.783   5.278
  133   2HE2  GLN  17          2HE2      GLN  17  -8.278  -3.756   7.821
  134   1HE2  GLN  17          1HE2      GLN  17  -8.310  -5.093   8.966
  135    H    LEU  18           H        LEU  18  -3.699  -3.140   4.156
  136    HA   LEU  18           HA       LEU  18  -5.335  -0.984   4.791
  137   1HB   LEU  18          1HB       LEU  18  -3.058  -1.214   5.430
  138   2HB   LEU  18          2HB       LEU  18  -2.547  -0.840   3.773
  139    HG   LEU  18           HG       LEU  18  -2.855   0.987   5.510
  140   1HD1  LEU  18          1HD1      LEU  18  -2.503   1.328   2.984
  141   2HD1  LEU  18          2HD1      LEU  18  -4.227   1.731   2.953
  142   3HD1  LEU  18          3HD1      LEU  18  -3.126   2.708   3.878
  143   1HD2  LEU  18          1HD2      LEU  18  -4.962   0.366   6.408
  144   2HD2  LEU  18          2HD2      LEU  18  -4.687   2.053   6.154
  145   3HD2  LEU  18          3HD2      LEU  18  -5.696   1.152   4.992
  146    H    VAL  19           H        VAL  19  -3.829  -2.057   1.857
  147    HA   VAL  19           HA       VAL  19  -4.299   0.070  -0.175
  148    HB   VAL  19           HB       VAL  19  -3.838  -2.874  -0.250
  149   1HG1  VAL  19          1HG1      VAL  19  -4.154  -0.686  -2.351
  150   2HG1  VAL  19          2HG1      VAL  19  -3.517  -2.317  -2.617
  151   3HG1  VAL  19          3HG1      VAL  19  -5.183  -2.129  -2.161
  152   1HG2  VAL  19          1HG2      VAL  19  -2.186  -0.642   0.404
  153   2HG2  VAL  19          2HG2      VAL  19  -1.648  -2.213  -0.132
  154   3HG2  VAL  19          3HG2      VAL  19  -1.940  -0.912  -1.320
  155    H    THR  20           H        THR  20  -6.032  -2.911   1.182
  156    HA   THR  20           HA       THR  20  -8.307  -2.650  -0.551
  157    HB   THR  20           HB       THR  20  -7.095  -4.737   0.851
  158    HG1  THR  20           HG1      THR  20  -9.661  -4.590  -0.310
  159   1HG2  THR  20          1HG2      THR  20  -8.354  -4.298   2.944
  160   2HG2  THR  20          2HG2      THR  20  -9.834  -4.605   2.058
  161   3HG2  THR  20          3HG2      THR  20  -8.565  -5.866   2.209
  162    H    THR  21           H        THR  21  -7.572  -1.255   2.598
  163    HA   THR  21           HA       THR  21 -10.269  -0.529   3.327
  164    HB   THR  21           HB       THR  21  -7.492  -0.174   4.171
  165    HG1  THR  21           HG1      THR  21  -9.848  -0.287   5.735
  166   1HG2  THR  21          1HG2      THR  21  -9.213   2.313   4.429
  167   2HG2  THR  21          2HG2      THR  21  -7.934   1.911   5.560
  168   3HG2  THR  21          3HG2      THR  21  -7.583   2.144   3.833
  169    H    ILE  22           H        ILE  22  -7.819   0.666   1.116
  170    HA   ILE  22           HA       ILE  22  -9.044   3.259   0.693
  171    HB   ILE  22           HB       ILE  22  -6.948   2.134  -1.172
  172   1HG1  ILE  22          1HG1      ILE  22  -6.499   2.806   1.725
  173   2HG1  ILE  22          2HG1      ILE  22  -5.787   1.557   0.684
  174   1HG2  ILE  22          1HG2      ILE  22  -8.136   4.361  -1.460
  175   2HG2  ILE  22          2HG2      ILE  22  -7.271   4.904   0.009
  176   3HG2  ILE  22          3HG2      ILE  22  -6.383   4.374  -1.448
  177   1HD1  ILE  22          1HD1      ILE  22  -4.488   3.346  -0.491
  178   2HD1  ILE  22          2HD1      ILE  22  -5.162   4.467   0.717
  179   3HD1  ILE  22          3HD1      ILE  22  -4.106   3.141   1.229
  180    H    CYS  23           H        CYS  23  -8.361   0.297  -1.259
  181    HA   CYS  23           HA       CYS  23 -10.434   0.776  -3.156
  182   1HB   CYS  23          2HB       CYS  23  -9.388  -2.024  -2.429
  183   2HB   CYS  23          1HB       CYS  23 -10.176  -1.456  -3.872
  184    HG   CYS  23           HG       CYS  23  -7.846  -1.555  -4.795
  185    H    ASN  24           H        ASN  24 -10.699   0.369   0.182
  186    HA   ASN  24           HA       ASN  24 -13.640  -0.236  -0.401
  187   1HB   ASN  24          1HB       ASN  24 -12.683  -1.934   1.015
  188   2HB   ASN  24          2HB       ASN  24 -12.306  -0.744   2.249
  189   2HD2  ASN  24          2HD2      ASN  24 -13.981  -0.885   4.014
  190   1HD2  ASN  24          1HD2      ASN  24 -15.617  -1.179   3.553
  191    H    ALA  25           H        ALA  25 -11.640   2.329   0.812
  192    HA   ALA  25           HA       ALA  25 -12.035   4.433   1.643
  193   1HB   ALA  25          1HB       ALA  25 -14.739   4.014   0.168
  194   2HB   ALA  25          3HB       ALA  25 -14.195   5.556   0.805
  195   3HB   ALA  25          2HB       ALA  25 -13.286   4.778  -0.511
  196    H    ASP  26           H        ASP  26 -12.407   2.217   3.006
  197    HA   ASP  26           HA       ASP  26 -14.285   1.684   4.944
  198   1HB   ASP  26          1HB       ASP  26 -12.478   0.587   3.884
  199   2HB   ASP  26          2HB       ASP  26 -11.315   1.474   4.828
  200    H    THR  27           H        THR  27 -12.950   4.373   4.629
  201    HA   THR  27           HA       THR  27 -11.576   4.964   7.160
  202    HB   THR  27           HB       THR  27 -10.300   6.374   6.073
  203    HG1  THR  27           HG1      THR  27 -12.175   6.505   3.958
  204   1HG2  THR  27          1HG2      THR  27  -9.929   4.142   5.337
  205   2HG2  THR  27          2HG2      THR  27 -10.868   4.466   3.847
  206   3HG2  THR  27          3HG2      THR  27  -9.381   5.385   4.201
  207    H    SER  28           H        SER  28 -11.211   7.532   7.286
  208    HA   SER  28           HA       SER  28 -13.375   8.546   8.731
  209   1HB   SER  28          1HB       SER  28 -12.133  10.694   8.460
  210   2HB   SER  28          2HB       SER  28 -11.123   9.317   9.042
  211    HG   SER  28           HG       SER  28 -10.088  10.573   7.460
  212    H    SER  29           H        SER  29 -12.634   8.461   5.478
  213    HA   SER  29           HA       SER  29 -14.933   8.185   4.484
  214   1HB   SER  29          1HB       SER  29 -16.067  10.393   3.712
  215   2HB   SER  29          2HB       SER  29 -16.313   9.859   5.385
  216    HG   SER  29           HG       SER  29 -14.857  11.275   6.076
  217    H    GLU  30           H        GLU  30 -12.604  10.226   3.896
  218    HA   GLU  30           HA       GLU  30 -12.424   9.622   1.176
  219   1HB   GLU  30          1HB       GLU  30 -13.086  12.555   1.833
  220   2HB   GLU  30          2HB       GLU  30 -12.641  12.023   0.214
  221   1HG   GLU  30          1HG       GLU  30 -14.729  10.687   0.075
  222   2HG   GLU  30          2HG       GLU  30 -15.203  11.277   1.675
  223    H    GLU  31           H        GLU  31 -11.182  10.743   3.849
  224    HA   GLU  31           HA       GLU  31  -9.049  12.363   3.173
  225   1HB   GLU  31          1HB       GLU  31 -10.993  12.519   4.646
  226   2HB   GLU  31          2HB       GLU  31 -10.222  11.351   5.323
  227   1HG   GLU  31          1HG       GLU  31  -8.604  13.772   5.158
  228   2HG   GLU  31          2HG       GLU  31  -9.971  13.732   6.317
  229    H    GLU  32           H        GLU  32  -9.403  10.107   5.479
  230    HA   GLU  32           HA       GLU  32  -6.894   8.814   5.866
  231   1HB   GLU  32          1HB       GLU  32  -9.579   8.098   6.057
  232   2HB   GLU  32          2HB       GLU  32  -8.350   6.769   6.044
  233   1HG   GLU  32          1HG       GLU  32  -8.132   9.235   7.683
  234   2HG   GLU  32          2HG       GLU  32  -9.028   7.907   8.303
  235    H    LEU  33           H        LEU  33  -9.345   8.700   3.269
  236    HA   LEU  33           HA       LEU  33  -8.226   6.477   1.933
  237   1HB   LEU  33          1HB       LEU  33 -10.172   8.701   1.512
  238   2HB   LEU  33          2HB       LEU  33  -9.615   8.018   0.013
  239    HG   LEU  33           HG       LEU  33 -10.159   6.110   2.313
  240   1HD1  LEU  33          1HD1      LEU  33 -11.947   7.877   2.301
  241   2HD1  LEU  33          2HD1      LEU  33 -12.440   7.384   0.672
  242   3HD1  LEU  33          3HD1      LEU  33 -12.593   6.319   2.089
  243   1HD2  LEU  33          1HD2      LEU  33  -9.360   5.736  -0.220
  244   2HD2  LEU  33          2HD2      LEU  33 -10.607   4.657   0.326
  245   3HD2  LEU  33          3HD2      LEU  33 -11.025   6.048  -0.678
  246    H    VAL  34           H        VAL  34  -7.830   9.948   1.341
  247    HA   VAL  34           HA       VAL  34  -5.888   9.829  -0.769
  248    HB   VAL  34           HB       VAL  34  -6.975  11.810   1.009
  249   1HG1  VAL  34          1HG1      VAL  34  -4.774  12.373  -1.013
  250   2HG1  VAL  34          2HG1      VAL  34  -5.781  13.631  -0.254
  251   3HG1  VAL  34          3HG1      VAL  34  -4.693  12.654   0.737
  252   1HG2  VAL  34          1HG2      VAL  34  -8.323  11.058  -0.902
  253   2HG2  VAL  34          2HG2      VAL  34  -7.897  12.765  -1.051
  254   3HG2  VAL  34          3HG2      VAL  34  -7.017  11.542  -2.005
  255    H    LYS  35           H        LYS  35  -5.871   9.564   2.671
  256    HA   LYS  35           HA       LYS  35  -3.069  10.277   3.091
  257   1HB   LYS  35          1HB       LYS  35  -4.985  11.015   4.435
  258   2HB   LYS  35          2HB       LYS  35  -5.421   9.327   4.697
  259   1HG   LYS  35          1HG       LYS  35  -2.759   9.667   5.488
  260   2HG   LYS  35          2HG       LYS  35  -3.796  10.998   6.141
  261   1HD   LYS  35          1HD       LYS  35  -4.940   8.406   6.588
  262   2HD   LYS  35          2HD       LYS  35  -3.264   8.448   7.086
  263   1HE   LYS  35          2HE       LYS  35  -4.469   9.147   9.023
  264   2HE   LYS  35          1HE       LYS  35  -3.692  10.595   8.355
  265   1HZ   LYS  35          1HZ       LYS  35  -6.032  11.045   7.325
  266   2HZ   LYS  35          2HZ       LYS  35  -6.506   9.801   8.328
  267   3HZ   LYS  35          3HZ       LYS  35  -5.914  11.153   8.936
  268    H    LEU  36           H        LEU  36  -5.116   7.305   3.404
  269    HA   LEU  36           HA       LEU  36  -3.011   5.522   3.954
  270   1HB   LEU  36          1HB       LEU  36  -5.907   5.346   2.936
  271   2HB   LEU  36          2HB       LEU  36  -5.017   3.912   3.187
  272    HG   LEU  36           HG       LEU  36  -5.495   5.929   5.262
  273   1HD1  LEU  36          1HD1      LEU  36  -7.347   4.451   4.557
  274   2HD1  LEU  36          2HD1      LEU  36  -6.339   3.179   5.314
  275   3HD1  LEU  36          3HD1      LEU  36  -6.944   4.520   6.299
  276   1HD2  LEU  36          1HD2      LEU  36  -3.543   3.824   5.579
  277   2HD2  LEU  36          2HD2      LEU  36  -3.708   5.485   6.175
  278   3HD2  LEU  36          3HD2      LEU  36  -4.656   4.236   6.922
  279    H    VAL  37           H        VAL  37  -4.427   6.952   0.988
  280    HA   VAL  37           HA       VAL  37  -3.034   5.401  -0.806
  281    HB   VAL  37           HB       VAL  37  -4.224   8.137  -0.791
  282   1HG1  VAL  37          1HG1      VAL  37  -2.317   7.483  -3.039
  283   2HG1  VAL  37          2HG1      VAL  37  -3.544   8.772  -3.054
  284   3HG1  VAL  37          3HG1      VAL  37  -2.216   8.859  -1.908
  285   1HG2  VAL  37          1HG2      VAL  37  -5.535   6.266  -1.451
  286   2HG2  VAL  37          2HG2      VAL  37  -5.373   7.374  -2.801
  287   3HG2  VAL  37          3HG2      VAL  37  -4.411   5.878  -2.781
  288    H    THR  38           H        THR  38  -2.056   8.315   0.944
  289    HA   THR  38           HA       THR  38   0.465   8.581  -0.270
  290    HB   THR  38           HB       THR  38  -1.181  10.099   1.111
  291    HG1  THR  38           HG1      THR  38   0.487  10.438  -0.744
  292   1HG2  THR  38          1HG2      THR  38   0.031   9.739   3.247
  293   2HG2  THR  38          2HG2      THR  38   1.550  10.204   2.448
  294   3HG2  THR  38          3HG2      THR  38   0.259  11.403   2.668
  295    H    HIS  39           H        HIS  39  -0.691   7.210   2.774
  296    HA   HIS  39           HA       HIS  39   1.681   6.420   4.005
  297   1HB   HIS  39          1HB       HIS  39  -0.607   6.132   4.974
  298   2HB   HIS  39          2HB       HIS  39  -0.904   5.092   3.634
  299    HD1  HIS  39           HD1      HIS  39   2.171   4.813   5.966
  300    HD2  HIS  39           HD2      HIS  39  -1.054   2.705   4.266
  301    HE1  HIS  39           HE1      HIS  39   2.207   2.438   6.934
  302    H    PHE  40           H        PHE  40  -0.158   4.941   1.245
  303    HA   PHE  40           HA       PHE  40   1.654   2.675   1.104
  304   1HB   PHE  40          1HB       PHE  40  -0.556   2.813  -0.130
  305   2HB   PHE  40          2HB       PHE  40   0.218   3.877  -1.295
  306    HD1  PHE  40           HD1      PHE  40   2.574   2.943  -2.342
  307    HD2  PHE  40           HD2      PHE  40  -0.442   0.545  -0.451
  308    HE1  PHE  40           HE1      PHE  40   3.312   1.003  -3.627
  309    HE2  PHE  40           HE2      PHE  40   0.243  -1.418  -1.839
  310    HZ   PHE  40           HZ       PHE  40   2.073  -1.157  -3.501
  311    H    GLU  41           H        GLU  41   1.499   5.610  -0.754
  312    HA   GLU  41           HA       GLU  41   3.843   5.682  -2.171
  313   1HB   GLU  41          1HB       GLU  41   2.955   8.040  -0.919
  314   2HB   GLU  41          2HB       GLU  41   3.872   7.866  -2.419
  315   1HG   GLU  41          1HG       GLU  41   1.877   6.870  -3.468
  316   2HG   GLU  41          2HG       GLU  41   0.997   7.113  -2.000
  317    H    GLU  42           H        GLU  42   3.520   6.281   1.250
  318    HA   GLU  42           HA       GLU  42   5.982   7.423   1.812
  319   1HB   GLU  42          1HB       GLU  42   4.175   8.058   2.993
  320   2HB   GLU  42          2HB       GLU  42   3.969   6.381   3.249
  321   1HG   GLU  42          1HG       GLU  42   6.398   7.269   4.507
  322   2HG   GLU  42          2HG       GLU  42   4.992   8.225   5.007
  323    H    MET  43           H        MET  43   4.425   4.496   2.582
  324    HA   MET  43           HA       MET  43   5.945   3.411   4.333
  325   1HB   MET  43          1HB       MET  43   4.031   2.397   2.349
  326   2HB   MET  43          2HB       MET  43   4.962   1.144   2.925
  327   1HG   MET  43          1HG       MET  43   3.516   3.088   4.574
  328   2HG   MET  43          2HG       MET  43   2.851   1.539   4.143
  329   1HE   MET  43          1HE       MET  43   4.143   3.684   6.679
  330   2HE   MET  43          2HE       MET  43   5.069   2.731   7.827
  331   3HE   MET  43          3HE       MET  43   5.853   3.313   6.361
  332    H    THR  44           H        THR  44   6.108   2.728   0.985
  333    HA   THR  44           HA       THR  44   8.182   0.681   1.318
  334    HB   THR  44           HB       THR  44   6.231  -0.257   0.525
  335    HG1  THR  44           HG1      THR  44   8.025   0.278  -1.488
  336   1HG2  THR  44          1HG2      THR  44   5.787   2.303  -1.047
  337   2HG2  THR  44          2HG2      THR  44   4.916   0.840  -1.479
  338   3HG2  THR  44          3HG2      THR  44   4.761   1.459   0.126
  339    H    GLU  45           H        GLU  45   8.194   3.839   0.637
  340    HA   GLU  45           HA       GLU  45   9.134   5.346  -0.800
  341   1HB   GLU  45          1HB       GLU  45  11.309   3.313  -0.908
  342   2HB   GLU  45          2HB       GLU  45  11.506   4.992  -1.338
  343   1HG   GLU  45          1HG       GLU  45  11.448   5.710   0.928
  344   2HG   GLU  45          2HG       GLU  45  10.738   4.183   1.493
  345    H    HIS  46           H        HIS  46   7.221   3.730  -2.152
  346    HA   HIS  46           HA       HIS  46   8.614   2.292  -4.262
  347   1HB   HIS  46          1HB       HIS  46   6.665   1.235  -3.324
  348   2HB   HIS  46          2HB       HIS  46   5.643   2.617  -3.753
  349    HD1  HIS  46           HD1      HIS  46   4.743   2.669  -6.235
  350    HD2  HIS  46           HD2      HIS  46   7.741  -0.200  -5.539
  351    HE1  HIS  46           HE1      HIS  46   4.939   1.262  -8.363
  352    HA   PRO  47           HA       PRO  47   8.738   5.600  -7.313
  353   1HB   PRO  47          2HB       PRO  47   8.040   3.692  -9.443
  354   2HB   PRO  47          1HB       PRO  47   9.564   4.543  -9.107
  355   1HG   PRO  47          2HG       PRO  47   8.781   1.748  -8.235
  356   2HG   PRO  47          1HG       PRO  47  10.369   2.523  -8.426
  357   1HD   PRO  47          1HD       PRO  47   8.955   1.807  -6.223
  358   2HD   PRO  47          2HD       PRO  47  10.263   2.991  -6.234
  359    H    SER  48           H        SER  48   6.184   3.266  -8.247
  360    HA   SER  48           HA       SER  48   4.662   5.461  -9.263
  361   1HB   SER  48          1HB       SER  48   3.603   2.725  -9.501
  362   2HB   SER  48          2HB       SER  48   3.780   3.989 -10.706
  363    HG   SER  48           HG       SER  48   5.182   2.384 -11.195
  364    H    GLY  49           H        GLY  49   4.632   5.310  -6.401
  365   1HA   GLY  49          2HA       GLY  49   3.266   6.055  -4.790
  366   2HA   GLY  49          1HA       GLY  49   2.566   4.446  -4.815
  367    H    SER  50           H        SER  50   2.417   7.603  -6.551
  368    HA   SER  50           HA       SER  50  -0.325   7.996  -6.374
  369   1HB   SER  50          1HB       SER  50   0.306   9.735  -8.148
  370   2HB   SER  50          2HB       SER  50   1.211   9.781  -6.633
  371    HG   SER  50           HG       SER  50   2.059   8.695  -9.142
  372    H    ASP  51           H        ASP  51   0.714   5.175  -8.165
  373    HA   ASP  51           HA       ASP  51  -0.863   5.647 -10.451
  374   1HB   ASP  51          1HB       ASP  51   2.191   5.495 -10.329
  375   2HB   ASP  51          2HB       ASP  51   1.276   5.060 -11.747
  376    H    LEU  52           H        LEU  52   0.432   3.641  -7.731
  377    HA   LEU  52           HA       LEU  52  -0.562   1.291  -9.328
  378   1HB   LEU  52          1HB       LEU  52   0.764  -0.014  -7.873
  379   2HB   LEU  52          2HB       LEU  52   1.667   1.001  -9.020
  380    HG   LEU  52           HG       LEU  52   2.906   1.936  -7.507
  381   1HD1  LEU  52          1HD1      LEU  52   1.147   2.947  -6.064
  382   2HD1  LEU  52          2HD1      LEU  52   1.077   1.414  -5.175
  383   3HD1  LEU  52          3HD1      LEU  52   2.582   2.358  -5.224
  384   1HD2  LEU  52          1HD2      LEU  52   3.274  -0.444  -7.405
  385   2HD2  LEU  52          2HD2      LEU  52   3.538   0.255  -5.806
  386   3HD2  LEU  52          3HD2      LEU  52   2.042  -0.617  -6.131
  387    H    ILE  53           H        ILE  53  -2.339   3.109  -7.859
  388    HA   ILE  53           HA       ILE  53  -3.178   1.127  -5.870
  389    HB   ILE  53           HB       ILE  53  -2.896   4.034  -5.619
  390   1HG1  ILE  53          1HG1      ILE  53  -0.903   2.656  -5.133
  391   2HG1  ILE  53          2HG1      ILE  53  -1.601   3.341  -3.722
  392   1HG2  ILE  53          1HG2      ILE  53  -4.591   2.144  -4.013
  393   2HG2  ILE  53          2HG2      ILE  53  -3.967   3.712  -3.395
  394   3HG2  ILE  53          3HG2      ILE  53  -5.068   3.668  -4.787
  395   1HD1  ILE  53          1HD1      ILE  53  -1.960   0.548  -4.459
  396   2HD1  ILE  53          2HD1      ILE  53  -0.739   1.275  -3.453
  397   3HD1  ILE  53          3HD1      ILE  53  -2.497   1.417  -2.991
  398    H    TYR  54           H        TYR  54  -3.666   1.740  -8.912
  399    HA   TYR  54           HA       TYR  54  -6.339   1.676  -9.141
  400   1HB   TYR  54          1HB       TYR  54  -6.621   4.242  -9.874
  401   2HB   TYR  54          2HB       TYR  54  -7.149   3.480  -8.371
  402    HD1  TYR  54           HD1      TYR  54  -3.576   4.207  -9.181
  403    HD2  TYR  54           HD2      TYR  54  -6.913   5.251  -6.665
  404    HE1  TYR  54           HE1      TYR  54  -2.195   5.250  -7.904
  405    HE2  TYR  54           HE2      TYR  54  -5.302   6.430  -5.189
  406    HH   TYR  54           HH       TYR  54  -1.830   6.475  -5.792
  407    H    TYR  55           H        TYR  55  -3.539   3.172 -10.598
  408    HA   TYR  55           HA       TYR  55  -4.849   3.525 -13.200
  409   1HB   TYR  55          1HB       TYR  55  -1.945   4.003 -12.508
  410   2HB   TYR  55          2HB       TYR  55  -2.765   4.478 -13.981
  411    HD1  TYR  55           HD1      TYR  55  -5.201   5.345 -11.572
  412    HD2  TYR  55           HD2      TYR  55  -1.237   6.437 -12.931
  413    HE1  TYR  55           HE1      TYR  55  -5.333   7.452 -10.305
  414    HE2  TYR  55           HE2      TYR  55  -1.382   8.531 -11.691
  415    HH   TYR  55           HH       TYR  55  -2.543   9.142  -9.574
  416    HA   PRO  56           HA       PRO  56  -1.823  -0.237 -14.204
  417   1HB   PRO  56          1HB       PRO  56  -1.851  -2.057 -12.179
  418   2HB   PRO  56          2HB       PRO  56  -0.548  -0.899 -12.461
  419   1HG   PRO  56          2HG       PRO  56  -3.006  -0.263 -10.685
  420   2HG   PRO  56          1HG       PRO  56  -1.293  -0.355 -10.185
  421   1HD   PRO  56          1HD       PRO  56  -2.131   1.963 -10.941
  422   2HD   PRO  56          2HD       PRO  56  -0.775   1.321 -11.910
  423    H    LYS  57           H        LYS  57  -3.438  -1.762 -15.233
  424    HA   LYS  57           HA       LYS  57  -5.655  -2.746 -13.710
  425   1HB   LYS  57          1HB       LYS  57  -6.507  -0.462 -14.062
  426   2HB   LYS  57          2HB       LYS  57  -6.406  -0.720 -15.798
  427   1HG   LYS  57          1HG       LYS  57  -8.085  -2.516 -15.658
  428   2HG   LYS  57          2HG       LYS  57  -7.921  -2.578 -13.893
  429   1HD   LYS  57          1HD       LYS  57  -9.918  -1.400 -14.428
  430   2HD   LYS  57          2HD       LYS  57  -8.729  -0.300 -13.698
  431   1HE   LYS  57          1HE       LYS  57  -9.802   0.848 -15.618
  432   2HE   LYS  57          2HE       LYS  57  -8.095   0.542 -15.943
  433   1HZ   LYS  57          1HZ       LYS  57  -8.893  -1.524 -17.181
  434   2HZ   LYS  57          2HZ       LYS  57 -10.388  -0.908 -17.126
  435   3HZ   LYS  57          3HZ       LYS  57  -9.131  -0.171 -17.913
  436    H    GLU  58           H        GLU  58  -4.504  -2.039 -16.734
  437    HA   GLU  58           HA       GLU  58  -6.329  -3.708 -17.951
  438   1HB   GLU  58          1HB       GLU  58  -5.526  -1.405 -18.605
  439   2HB   GLU  58          2HB       GLU  58  -4.556  -2.469 -19.686
  440   1HG   GLU  58          1HG       GLU  58  -6.479  -1.923 -20.990
  441   2HG   GLU  58          2HG       GLU  58  -6.822  -3.526 -20.354
  442    H    GLY  59           H        GLY  59  -3.599  -4.207 -17.650
  443   1HA   GLY  59          2HA       GLY  59  -2.631  -6.476 -19.088
  444   2HA   GLY  59          1HA       GLY  59  -3.898  -7.046 -17.945
  445    H    ASP  60           H        ASP  60  -3.365  -4.822 -16.070
  446    HA   ASP  60           HA       ASP  60  -0.533  -5.201 -15.283
  447   1HB   ASP  60          1HB       ASP  60  -2.126  -2.653 -15.165
  448   2HB   ASP  60          2HB       ASP  60  -0.410  -2.801 -14.979
  449    H    ASP  61           H        ASP  61  -0.276  -5.751 -13.584
  450    HA   ASP  61           HA       ASP  61  -1.806  -6.798 -11.620
  451   1HB   ASP  61          1HB       ASP  61   0.632  -7.104 -12.199
  452   2HB   ASP  61          2HB       ASP  61   0.747  -5.899 -10.936
  453    H    ASP  62           H        ASP  62  -3.614  -5.309 -10.860
  454    HA   ASP  62           HA       ASP  62  -2.741  -2.929  -9.305
  455   1HB   ASP  62          1HB       ASP  62  -3.645  -2.228 -11.223
  456   2HB   ASP  62          2HB       ASP  62  -4.797  -3.475 -11.243
  457    H    SER  63           H        SER  63  -5.933  -3.942  -9.769
  458    HA   SER  63           HA       SER  63  -7.654  -4.598  -8.647
  459   1HB   SER  63          1HB       SER  63  -6.174  -6.812  -7.238
  460   2HB   SER  63          2HB       SER  63  -7.861  -6.795  -7.784
  461    HG   SER  63           HG       SER  63  -5.933  -6.495  -9.714
  462    HA   PRO  64           HA       PRO  64  -6.303  -3.187  -4.386
  463   1HB   PRO  64          1HB       PRO  64  -7.074  -4.828  -2.319
  464   2HB   PRO  64          2HB       PRO  64  -8.165  -3.786  -3.271
  465   1HG   PRO  64          2HG       PRO  64  -7.692  -6.717  -3.755
  466   2HG   PRO  64          1HG       PRO  64  -9.263  -5.892  -3.450
  467   1HD   PRO  64          1HD       PRO  64  -8.480  -6.276  -5.943
  468   2HD   PRO  64          2HD       PRO  64  -9.128  -4.697  -5.524
  469    H    SER  65           H        SER  65  -5.562  -6.216  -5.269
  470    HA   SER  65           HA       SER  65  -3.304  -6.625  -3.506
  471   1HB   SER  65          1HB       SER  65  -3.744  -8.955  -4.453
  472   2HB   SER  65          2HB       SER  65  -4.986  -8.225  -3.401
  473    HG   SER  65           HG       SER  65  -5.032  -8.543  -6.221
  474    H    GLY  66           H        GLY  66  -3.511  -6.620  -6.865
  475   1HA   GLY  66          2HA       GLY  66  -2.217  -6.837  -8.579
  476   2HA   GLY  66          1HA       GLY  66  -1.046  -7.682  -7.667
  477    H    ILE  67           H        ILE  67  -2.596  -4.455  -6.882
  478    HA   ILE  67           HA       ILE  67  -0.293  -3.075  -7.446
  479    HB   ILE  67           HB       ILE  67  -1.298  -1.396  -5.654
  480   1HG1  ILE  67          1HG1      ILE  67  -3.365  -3.487  -5.475
  481   2HG1  ILE  67          2HG1      ILE  67  -2.432  -2.611  -4.322
  482   1HG2  ILE  67          1HG2      ILE  67  -1.722  -1.437  -8.262
  483   2HG2  ILE  67          2HG2      ILE  67  -3.357  -2.033  -7.720
  484   3HG2  ILE  67          3HG2      ILE  67  -2.829  -0.491  -7.268
  485   1HD1  ILE  67          1HD1      ILE  67  -4.583  -1.230  -6.055
  486   2HD1  ILE  67          2HD1      ILE  67  -4.873  -1.839  -4.462
  487   3HD1  ILE  67          3HD1      ILE  67  -3.730  -0.550  -4.672
  488    H    VAL  68           H        VAL  68  -1.255  -4.353  -4.457
  489    HA   VAL  68           HA       VAL  68   1.014  -3.324  -2.973
  490    HB   VAL  68           HB       VAL  68  -0.573  -5.865  -2.327
  491   1HG1  VAL  68          1HG1      VAL  68   1.332  -4.961  -0.740
  492   2HG1  VAL  68          2HG1      VAL  68   0.317  -3.526  -0.530
  493   3HG1  VAL  68          3HG1      VAL  68  -0.275  -5.092   0.014
  494   1HG2  VAL  68          1HG2      VAL  68  -1.468  -3.013  -2.255
  495   2HG2  VAL  68          2HG2      VAL  68  -2.268  -4.448  -2.915
  496   3HG2  VAL  68          3HG2      VAL  68  -2.184  -4.218  -1.182
  497    H    ASN  69           H        ASN  69   0.202  -5.831  -4.948
  498    HA   ASN  69           HA       ASN  69   2.487  -7.629  -4.932
  499   1HB   ASN  69          1HB       ASN  69   0.218  -7.301  -6.269
  500   2HB   ASN  69          2HB       ASN  69   1.453  -7.995  -7.248
  501   2HD2  ASN  69          2HD2      ASN  69  -0.447  -9.678  -7.020
  502   1HD2  ASN  69          1HD2      ASN  69  -0.424 -10.790  -5.642
  503    H    THR  70           H        THR  70   1.650  -4.762  -6.947
  504    HA   THR  70           HA       THR  70   3.805  -5.181  -8.517
  505    HB   THR  70           HB       THR  70   2.350  -2.642  -7.709
  506    HG1  THR  70           HG1      THR  70   1.142  -4.101  -9.095
  507   1HG2  THR  70          1HG2      THR  70   4.543  -1.865  -8.593
  508   2HG2  THR  70          2HG2      THR  70   4.291  -2.838 -10.059
  509   3HG2  THR  70          3HG2      THR  70   3.219  -1.468  -9.694
  510    H    VAL  71           H        VAL  71   3.333  -3.525  -5.536
  511    HA   VAL  71           HA       VAL  71   5.985  -2.460  -5.130
  512    HB   VAL  71           HB       VAL  71   3.549  -2.791  -3.454
  513   1HG1  VAL  71          1HG1      VAL  71   6.136  -3.070  -1.968
  514   2HG1  VAL  71          2HG1      VAL  71   4.542  -2.668  -1.296
  515   3HG1  VAL  71          3HG1      VAL  71   4.802  -4.252  -1.995
  516   1HG2  VAL  71          1HG2      VAL  71   4.666  -0.823  -4.388
  517   2HG2  VAL  71          2HG2      VAL  71   4.489  -0.791  -2.609
  518   3HG2  VAL  71          3HG2      VAL  71   6.083  -1.160  -3.361
  519    H    LYS  72           H        LYS  72   4.411  -5.400  -4.295
  520    HA   LYS  72           HA       LYS  72   6.565  -6.664  -3.041
  521   1HB   LYS  72          1HB       LYS  72   4.056  -7.507  -3.962
  522   2HB   LYS  72          2HB       LYS  72   5.171  -8.778  -4.473
  523   1HG   LYS  72          1HG       LYS  72   4.700  -9.260  -2.175
  524   2HG   LYS  72          2HG       LYS  72   6.200  -8.353  -2.086
  525   1HD   LYS  72          2HD       LYS  72   5.148  -6.900  -0.836
  526   2HD   LYS  72          1HD       LYS  72   4.452  -6.279  -2.150
  527   1HE   LYS  72          1HE       LYS  72   2.819  -7.217  -0.162
  528   2HE   LYS  72          2HE       LYS  72   2.390  -6.545  -1.700
  529   1HZ   LYS  72          1HZ       LYS  72   2.803  -9.409  -1.187
  530   2HZ   LYS  72          2HZ       LYS  72   1.352  -8.679  -1.349
  531   3HZ   LYS  72          3HZ       LYS  72   2.327  -8.783  -2.656
  532    H    GLN  73           H        GLN  73   6.574  -5.962  -6.018
  533    HA   GLN  73           HA       GLN  73   8.555  -7.714  -6.892
  534   1HB   GLN  73          1HB       GLN  73   6.646  -6.096  -8.606
  535   2HB   GLN  73          2HB       GLN  73   7.859  -7.228  -9.253
  536   1HG   GLN  73          1HG       GLN  73   6.917  -8.983  -7.744
  537   2HG   GLN  73          2HG       GLN  73   5.778  -7.990  -7.169
  538   2HE2  GLN  73          2HE2      GLN  73   3.860  -7.726  -8.073
  539   1HE2  GLN  73          1HE2      GLN  73   3.260  -8.418  -9.543
  540    H    TRP  74           H        TRP  74   7.823  -4.299  -7.033
  541    HA   TRP  74           HA       TRP  74  10.405  -3.179  -7.716
  542   1HB   TRP  74          1HB       TRP  74   8.323  -1.955  -7.872
  543   2HB   TRP  74          2HB       TRP  74   8.399  -1.937  -6.107
  544    HD1  TRP  74           HD1      TRP  74  10.121  -0.788  -9.197
  545    HE1  TRP  74           HE1      TRP  74  12.090   0.794  -8.835
  546    HE3  TRP  74           HE3      TRP  74   9.817  -0.458  -4.121
  547    HZ2  TRP  74           HZ2      TRP  74  13.176   2.266  -6.615
  548    HZ3  TRP  74           HZ3      TRP  74  10.958   1.283  -3.089
  549    HH2  TRP  74           HH2      TRP  74  12.699   2.681  -4.199
  550    H    ARG  75           H        ARG  75   8.710  -3.276  -4.617
  551    HA   ARG  75           HA       ARG  75  10.905  -3.014  -2.853
  552   1HB   ARG  75          1HB       ARG  75   8.201  -2.939  -2.574
  553   2HB   ARG  75          2HB       ARG  75   8.354  -4.687  -2.442
  554   1HG   ARG  75          1HG       ARG  75   9.992  -4.075  -0.443
  555   2HG   ARG  75          2HG       ARG  75   9.076  -2.565  -0.501
  556   1HD   ARG  75          1HD       ARG  75   8.196  -4.172   1.102
  557   2HD   ARG  75          2HD       ARG  75   7.056  -3.657  -0.096
  558    HE   ARG  75           HE       ARG  75   6.633  -5.875  -0.296
  559   1HH1  ARG  75          1HH1      ARG  75  10.172  -5.825  -0.443
  560   2HH1  ARG  75          2HH1      ARG  75  10.368  -7.302   0.403
  561   1HH2  ARG  75          1HH2      ARG  75   6.902  -8.186   0.358
  562   2HH2  ARG  75          2HH2      ARG  75   8.491  -8.783   0.340
  563    H    ALA  76           H        ALA  76  10.175  -5.674  -4.818
  564    HA   ALA  76           HA       ALA  76  11.694  -7.372  -2.931
  565   1HB   ALA  76          1HB       ALA  76  10.071  -8.300  -5.299
  566   2HB   ALA  76          3HB       ALA  76  11.065  -9.365  -4.295
  567   3HB   ALA  76          2HB       ALA  76   9.691  -8.533  -3.558
  568    H    ALA  77           H        ALA  77  11.854  -5.848  -5.846
  569    HA   ALA  77           HA       ALA  77  14.372  -7.228  -6.559
  570   1HB   ALA  77          1HB       ALA  77  12.657  -6.745  -8.372
  571   2HB   ALA  77          3HB       ALA  77  12.775  -5.018  -7.989
  572   3HB   ALA  77          2HB       ALA  77  14.169  -5.851  -8.703
  573    H    ASN  78           H        ASN  78  13.204  -4.222  -5.555
  574    HA   ASN  78           HA       ASN  78  15.766  -3.002  -5.162
  575   1HB   ASN  78          1HB       ASN  78  13.261  -2.050  -5.721
  576   2HB   ASN  78          2HB       ASN  78  13.066  -2.219  -4.028
  577   2HD2  ASN  78          2HD2      ASN  78  14.685  -0.442  -6.641
  578   1HD2  ASN  78          1HD2      ASN  78  15.524   0.719  -5.615
  579    H    GLY  79           H        GLY  79  13.778  -5.143  -3.899
  580   1HA   GLY  79          2HA       GLY  79  15.617  -6.056  -1.909
  581   2HA   GLY  79          1HA       GLY  79  13.964  -6.677  -2.080
  582    H    LYS  80           H        LYS  80  12.955  -3.954  -1.811
  583    HA   LYS  80           HA       LYS  80  13.884  -2.333  -0.027
  584   1HB   LYS  80          1HB       LYS  80  11.050  -2.419   0.291
  585   2HB   LYS  80          2HB       LYS  80  12.145  -1.193   0.734
  586   1HG   LYS  80          1HG       LYS  80  12.408  -2.207  -2.057
  587   2HG   LYS  80          2HG       LYS  80  11.037  -1.337  -1.730
  588   1HD   LYS  80          1HD       LYS  80  13.637  -0.755  -1.448
  589   2HD   LYS  80          2HD       LYS  80  12.717  -0.257  -2.730
  590   1HE   LYS  80          1HE       LYS  80  11.632   1.229  -1.560
  591   2HE   LYS  80          2HE       LYS  80  11.656   0.573  -0.105
  592   1HZ   LYS  80          1HZ       LYS  80  14.356   1.354  -0.843
  593   2HZ   LYS  80          2HZ       LYS  80  13.339   2.654  -0.871
  594   3HZ   LYS  80          3HZ       LYS  80  13.469   1.881   0.467
  595    H    SER  81           H        SER  81  12.082  -4.945   0.996
  596    HA   SER  81           HA       SER  81  12.384  -5.069   3.956
  597   1HB   SER  81          1HB       SER  81  10.071  -4.284   4.276
  598   2HB   SER  81          2HB       SER  81  11.266  -3.074   3.907
  599    HG   SER  81           HG       SER  81   9.454  -2.709   2.666
  600    H    GLY  82           H        GLY  82  10.254  -5.936   4.547
  601   1HA   GLY  82          2HA       GLY  82  10.804  -8.516   4.457
  602   2HA   GLY  82          1HA       GLY  82   9.368  -8.426   3.361
  603    H    PHE  83           H        PHE  83   8.610  -6.050   5.076
  604    HA   PHE  83           HA       PHE  83   7.417  -5.411   6.737
  605   1HB   PHE  83          2HB       PHE  83   6.096  -7.945   5.777
  606   2HB   PHE  83          1HB       PHE  83   5.446  -6.592   6.676
  607    HD1  PHE  83           HD1      PHE  83   6.664  -7.543   3.462
  608    HD2  PHE  83           HD2      PHE  83   4.172  -4.925   5.726
  609    HE1  PHE  83           HE1      PHE  83   5.931  -6.549   1.452
  610    HE2  PHE  83           HE2      PHE  83   3.395  -3.918   3.766
  611    HZ   PHE  83           HZ       PHE  83   4.230  -4.625   1.417
  612    H    LYS  84           H        LYS  84   6.238  -8.114   7.483
  613    HA   LYS  84           HA       LYS  84   6.843  -8.773  10.164
  614   1HB   LYS  84          1HB       LYS  84   5.950  -6.492  10.099
  615   2HB   LYS  84          2HB       LYS  84   4.503  -7.358   9.672
  616   1HG   LYS  84          1HG       LYS  84   4.494  -8.768  11.576
  617   2HG   LYS  84          2HG       LYS  84   6.111  -8.223  12.046
  618   1HD   LYS  84          1HD       LYS  84   4.767  -7.083  13.435
  619   2HD   LYS  84          2HD       LYS  84   5.217  -5.935  12.142
  620   1HE   LYS  84          1HE       LYS  84   2.926  -5.467  12.619
  621   2HE   LYS  84          2HE       LYS  84   2.953  -6.344  11.104
  622   1HZ   LYS  84          1HZ       LYS  84   2.335  -8.351  12.601
  623   2HZ   LYS  84          2HZ       LYS  84   1.979  -7.239  13.719
  624   3HZ   LYS  84          3HZ       LYS  84   1.236  -7.178  12.256
  625    H    GLN  85           H        GLN  85   5.221 -10.246  10.626
  626    HA   GLN  85           HA       GLN  85   4.428 -12.033   8.370
  627   1HB   GLN  85          1HB       GLN  85   6.212 -12.603  10.039
  628   2HB   GLN  85          2HB       GLN  85   4.753 -13.617  10.296
  629   1HG   GLN  85          1HG       GLN  85   5.987 -13.281   7.609
  630   2HG   GLN  85          2HG       GLN  85   6.593 -14.469   8.768
  631   2HE2  GLN  85          2HE2      GLN  85   3.025 -13.627   8.050
  632   1HE2  GLN  85          1HE2      GLN  85   2.748 -15.281   7.574
  633    H    GLY  86           H        GLY  86   3.803 -11.634  11.692
  634   1HA   GLY  86          2HA       GLY  86   1.600 -12.580  12.644
  635   2HA   GLY  86          1HA       GLY  86   0.889 -11.628  11.307

  No H/Q in entry =         635
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -8.825   2.826  10.263
    2    H2   MET   1           H2       MET   1  -8.000   3.577   9.074
    3    H3   MET   1           H3       MET   1  -8.988   2.306   8.692
    4    HA   MET   1           HA       MET   1  -7.628   0.767   9.825
    5   1HB   MET   1          1HB       MET   1  -7.233   1.429   7.500
    6   2HB   MET   1          2HB       MET   1  -6.024   2.598   8.021
    7   1HG   MET   1          1HG       MET   1  -5.201   0.427   7.032
    8   2HG   MET   1          2HG       MET   1  -4.483   0.881   8.557
    9   1HE   MET   1          1HE       MET   1  -3.437  -1.492   8.526
   10   2HE   MET   1          2HE       MET   1  -4.349  -3.014   8.620
   11   3HE   MET   1          3HE       MET   1  -4.362  -2.068   7.121
   12    H    GLU   2           H        GLU   2  -4.972   0.746  10.392
   13    HA   GLU   2           HA       GLU   2  -4.310   2.978  12.205
   14   1HB   GLU   2          1HB       GLU   2  -3.840   0.374  12.749
   15   2HB   GLU   2          2HB       GLU   2  -2.405   0.674  11.793
   16   1HG   GLU   2          1HG       GLU   2  -2.939   2.772  13.858
   17   2HG   GLU   2          2HG       GLU   2  -2.818   1.163  14.530
   18    H    LEU   3           H        LEU   3  -1.276   2.609  11.155
   19    HA   LEU   3           HA       LEU   3  -1.390   3.242   8.548
   20   1HB   LEU   3          1HB       LEU   3  -1.234   5.356  10.679
   21   2HB   LEU   3          2HB       LEU   3   0.070   5.464   9.502
   22    HG   LEU   3           HG       LEU   3  -2.798   5.190   8.635
   23   1HD1  LEU   3          1HD1      LEU   3  -2.624   7.232   9.996
   24   2HD1  LEU   3          2HD1      LEU   3  -1.247   7.780   8.996
   25   3HD1  LEU   3          3HD1      LEU   3  -2.872   7.588   8.281
   26   1HD2  LEU   3          1HD2      LEU   3  -0.165   6.041   7.369
   27   2HD2  LEU   3          2HD2      LEU   3  -1.235   4.711   6.872
   28   3HD2  LEU   3          3HD2      LEU   3  -1.703   6.399   6.587
   29    H    LYS   4           H        LYS   4   1.327   4.414   9.941
   30    HA   LYS   4           HA       LYS   4   2.534   2.876  11.650
   31   1HB   LYS   4          1HB       LYS   4   2.430   1.180   9.307
   32   2HB   LYS   4          2HB       LYS   4   4.008   1.733   9.508
   33   1HG   LYS   4          1HG       LYS   4   3.767  -0.261  10.827
   34   2HG   LYS   4          2HG       LYS   4   3.927   1.128  11.935
   35   1HD   LYS   4          1HD       LYS   4   1.355   1.115  12.018
   36   2HD   LYS   4          2HD       LYS   4   1.461  -0.459  11.265
   37   1HE   LYS   4          2HE       LYS   4   1.211  -0.936  13.476
   38   2HE   LYS   4          1HE       LYS   4   2.969  -1.076  13.265
   39   1HZ   LYS   4          1HZ       LYS   4   3.049   1.273  14.136
   40   2HZ   LYS   4          2HZ       LYS   4   1.404   1.136  14.398
   41   3HZ   LYS   4          3HZ       LYS   4   2.457   0.185  15.220
   42    H    HIS   5           H        HIS   5   4.921   2.724  11.189
   43    HA   HIS   5           HA       HIS   5   5.872   5.398  10.470
   44   1HB   HIS   5          2HB       HIS   5   7.568   3.677  12.204
   45   2HB   HIS   5          1HB       HIS   5   7.195   5.369  12.337
   46    HD1  HIS   5           HD1      HIS   5   4.603   5.795  13.590
   47    HD2  HIS   5           HD2      HIS   5   6.153   1.931  13.263
   48    HE1  HIS   5           HE1      HIS   5   2.962   4.289  14.849
   49    H    SER   6           H        SER   6   6.206   2.156  10.142
   50    HA   SER   6           HA       SER   6   8.173   2.231   8.063
   51   1HB   SER   6          1HB       SER   6   8.291  -0.158   9.436
   52   2HB   SER   6          2HB       SER   6   9.364   1.237   9.396
   53    HG   SER   6           HG       SER   6   8.394   0.431  11.690
   54    H    ILE   7           H        ILE   7   7.925   0.753   6.548
   55    HA   ILE   7           HA       ILE   7   5.541  -0.625   6.079
   56    HB   ILE   7           HB       ILE   7   7.579   0.080   4.607
   57   1HG1  ILE   7          1HG1      ILE   7   6.115  -2.522   4.199
   58   2HG1  ILE   7          2HG1      ILE   7   5.700  -0.900   3.584
   59   1HG2  ILE   7          1HG2      ILE   7   9.257  -1.206   6.025
   60   2HG2  ILE   7          2HG2      ILE   7   8.652  -2.666   5.192
   61   3HG2  ILE   7          3HG2      ILE   7   9.393  -1.314   4.292
   62   1HD1  ILE   7          1HD1      ILE   7   8.004  -1.009   2.494
   63   2HD1  ILE   7          2HD1      ILE   7   7.959  -2.745   2.976
   64   3HD1  ILE   7          3HD1      ILE   7   6.719  -2.116   1.861
   65    H    SER   8           H        SER   8   7.564  -1.223   8.598
   66    HA   SER   8           HA       SER   8   7.490  -4.080   8.511
   67   1HB   SER   8          1HB       SER   8   9.571  -3.861   8.456
   68   2HB   SER   8          2HB       SER   8   9.259  -2.349   7.871
   69    HG   SER   8           HG       SER   8   9.824  -2.749  10.593
   70    H    ASP   9           H        ASP   9   6.538  -1.189  10.234
   71    HA   ASP   9           HA       ASP   9   6.425  -2.768  12.673
   72   1HB   ASP   9          1HB       ASP   9   5.821   0.076  11.869
   73   2HB   ASP   9          2HB       ASP   9   4.845  -0.581  13.162
   74    H    TYR  10           H        TYR  10   5.002  -2.771   9.672
   75    HA   TYR  10           HA       TYR  10   2.626  -4.108  10.851
   76   1HB   TYR  10          2HB       TYR  10   1.102  -3.390   9.287
   77   2HB   TYR  10          1HB       TYR  10   1.842  -1.980   9.943
   78    HD1  TYR  10           HD1      TYR  10   4.235  -2.941   7.604
   79    HD2  TYR  10           HD2      TYR  10   0.191  -1.471   7.742
   80    HE1  TYR  10           HE1      TYR  10   4.414  -2.256   5.322
   81    HE2  TYR  10           HE2      TYR  10   0.506  -0.593   5.422
   82    HH   TYR  10           HH       TYR  10   2.138  -0.011   3.786
   83    H    THR  11           H        THR  11   1.924  -5.973   9.553
   84    HA   THR  11           HA       THR  11   4.249  -7.147   8.096
   85    HB   THR  11           HB       THR  11   3.428  -9.207   8.566
   86    HG1  THR  11           HG1      THR  11   0.794  -8.489   9.246
   87   1HG2  THR  11          1HG2      THR  11   2.321  -7.761  10.901
   88   2HG2  THR  11          2HG2      THR  11   2.213  -9.494  10.713
   89   3HG2  THR  11          3HG2      THR  11   3.787  -8.724  10.757
   90    H    GLU  12           H        GLU  12   3.449  -8.737   6.322
   91    HA   GLU  12           HA       GLU  12   3.052  -6.745   4.317
   92   1HB   GLU  12          1HB       GLU  12   4.726  -8.725   4.557
   93   2HB   GLU  12          2HB       GLU  12   3.425  -9.735   3.891
   94   1HG   GLU  12          1HG       GLU  12   3.263  -8.340   2.005
   95   2HG   GLU  12          2HG       GLU  12   4.225  -7.117   2.568
   96    H    ALA  13           H        ALA  13   0.974  -8.991   5.743
   97    HA   ALA  13           HA       ALA  13  -1.140  -8.884   3.639
   98   1HB   ALA  13          1HB       ALA  13  -0.797 -11.065   4.782
   99   2HB   ALA  13          3HB       ALA  13  -1.071 -10.279   6.359
  100   3HB   ALA  13          2HB       ALA  13  -2.385 -10.370   5.170
  101    H    GLU  14           H        GLU  14  -0.202  -7.679   6.817
  102    HA   GLU  14           HA       GLU  14  -2.356  -6.120   7.611
  103   1HB   GLU  14          1HB       GLU  14   0.388  -6.554   8.140
  104   2HB   GLU  14          2HB       GLU  14   0.272  -4.835   7.846
  105   1HG   GLU  14          1HG       GLU  14  -0.687  -4.480   9.743
  106   2HG   GLU  14          2HG       GLU  14  -1.813  -5.847   9.594
  107    H    PHE  15           H        PHE  15   0.230  -5.383   5.366
  108    HA   PHE  15           HA       PHE  15  -0.830  -2.759   4.635
  109   1HB   PHE  15          1HB       PHE  15   1.508  -3.382   4.537
  110   2HB   PHE  15          2HB       PHE  15   1.196  -4.673   3.403
  111    HD1  PHE  15           HD1      PHE  15  -0.050  -1.076   3.306
  112    HD2  PHE  15           HD2      PHE  15   2.233  -4.180   1.428
  113    HE1  PHE  15           HE1      PHE  15   0.646   0.511   1.545
  114    HE2  PHE  15           HE2      PHE  15   2.923  -2.576  -0.374
  115    HZ   PHE  15           HZ       PHE  15   2.222  -0.223  -0.224
  116    H    LEU  16           H        LEU  16  -1.111  -6.155   3.418
  117    HA   LEU  16           HA       LEU  16  -2.127  -5.279   0.863
  118   1HB   LEU  16          1HB       LEU  16  -1.298  -7.542   1.370
  119   2HB   LEU  16          2HB       LEU  16  -2.658  -7.809   2.456
  120    HG   LEU  16           HG       LEU  16  -4.223  -8.039   0.826
  121   1HD1  LEU  16          1HD1      LEU  16  -3.779  -6.061  -0.609
  122   2HD1  LEU  16          2HD1      LEU  16  -2.384  -6.919  -1.322
  123   3HD1  LEU  16          3HD1      LEU  16  -4.058  -7.524  -1.489
  124   1HD2  LEU  16          1HD2      LEU  16  -2.452  -9.860   0.692
  125   2HD2  LEU  16          2HD2      LEU  16  -3.209  -9.600  -0.890
  126   3HD2  LEU  16          3HD2      LEU  16  -1.591  -8.933  -0.559
  127    H    GLN  17           H        GLN  17  -3.562  -5.845   4.002
  128    HA   GLN  17           HA       GLN  17  -6.135  -5.584   3.400
  129   1HB   GLN  17          1HB       GLN  17  -5.576  -6.728   5.385
  130   2HB   GLN  17          2HB       GLN  17  -4.412  -5.488   5.878
  131   1HG   GLN  17          1HG       GLN  17  -6.103  -3.940   6.418
  132   2HG   GLN  17          2HG       GLN  17  -7.371  -5.038   5.807
  133   2HE2  GLN  17          2HE2      GLN  17  -6.700  -3.762   8.584
  134   1HE2  GLN  17          1HE2      GLN  17  -6.718  -5.164   9.654
  135    H    LEU  18           H        LEU  18  -3.506  -3.457   4.189
  136    HA   LEU  18           HA       LEU  18  -5.065  -1.212   4.932
  137   1HB   LEU  18          1HB       LEU  18  -2.717  -1.536   5.617
  138   2HB   LEU  18          2HB       LEU  18  -2.190  -1.378   3.941
  139    HG   LEU  18           HG       LEU  18  -3.804   0.862   4.814
  140   1HD1  LEU  18          1HD1      LEU  18  -2.770   0.462   6.967
  141   2HD1  LEU  18          2HD1      LEU  18  -1.169   0.451   6.227
  142   3HD1  LEU  18          3HD1      LEU  18  -2.120   1.935   6.238
  143   1HD2  LEU  18          1HD2      LEU  18  -2.430   0.680   2.666
  144   2HD2  LEU  18          2HD2      LEU  18  -2.299   2.171   3.584
  145   3HD2  LEU  18          3HD2      LEU  18  -1.007   0.960   3.690
  146    H    VAL  19           H        VAL  19  -3.614  -2.383   1.962
  147    HA   VAL  19           HA       VAL  19  -4.054   0.001   0.116
  148    HB   VAL  19           HB       VAL  19  -3.468  -2.935  -0.306
  149   1HG1  VAL  19          1HG1      VAL  19  -4.203  -0.573  -2.049
  150   2HG1  VAL  19          2HG1      VAL  19  -2.781  -1.445  -2.532
  151   3HG1  VAL  19          3HG1      VAL  19  -4.338  -2.314  -2.337
  152   1HG2  VAL  19          1HG2      VAL  19  -1.701  -1.503   0.873
  153   2HG2  VAL  19          2HG2      VAL  19  -1.183  -1.926  -0.736
  154   3HG2  VAL  19          3HG2      VAL  19  -1.883  -0.338  -0.406
  155    H    THR  20           H        THR  20  -5.620  -3.071   1.170
  156    HA   THR  20           HA       THR  20  -8.068  -2.987  -0.312
  157    HB   THR  20           HB       THR  20  -6.649  -4.383   1.875
  158    HG1  THR  20           HG1      THR  20  -6.275  -5.118  -0.064
  159   1HG2  THR  20          1HG2      THR  20  -8.599  -4.391   3.067
  160   2HG2  THR  20          2HG2      THR  20  -9.493  -5.083   1.671
  161   3HG2  THR  20          3HG2      THR  20  -8.175  -5.995   2.479
  162    H    THR  21           H        THR  21  -6.988  -1.116   2.545
  163    HA   THR  21           HA       THR  21  -9.688  -0.538   3.476
  164    HB   THR  21           HB       THR  21  -6.951  -0.479   4.346
  165    HG1  THR  21           HG1      THR  21  -8.882   0.190   6.169
  166   1HG2  THR  21          1HG2      THR  21  -7.111   2.009   3.834
  167   2HG2  THR  21          2HG2      THR  21  -8.336   2.111   5.099
  168   3HG2  THR  21          3HG2      THR  21  -6.697   1.532   5.461
  169    H    ILE  22           H        ILE  22  -7.275   0.668   1.236
  170    HA   ILE  22           HA       ILE  22  -8.468   3.289   0.844
  171    HB   ILE  22           HB       ILE  22  -6.451   1.958  -1.016
  172   1HG1  ILE  22          1HG1      ILE  22  -6.006   3.072   1.737
  173   2HG1  ILE  22          2HG1      ILE  22  -5.335   1.642   0.943
  174   1HG2  ILE  22          1HG2      ILE  22  -7.623   4.101  -1.662
  175   2HG2  ILE  22          2HG2      ILE  22  -6.781   4.889  -0.304
  176   3HG2  ILE  22          3HG2      ILE  22  -5.870   4.163  -1.646
  177   1HD1  ILE  22          1HD1      ILE  22  -3.988   3.166  -0.531
  178   2HD1  ILE  22          2HD1      ILE  22  -4.541   4.492   0.532
  179   3HD1  ILE  22          3HD1      ILE  22  -3.567   3.156   1.193
  180    H    CYS  23           H        CYS  23  -7.967   0.281  -1.082
  181    HA   CYS  23           HA       CYS  23 -10.089   0.805  -2.914
  182   1HB   CYS  23          2HB       CYS  23  -8.915  -1.935  -2.163
  183   2HB   CYS  23          1HB       CYS  23  -9.875  -1.517  -3.557
  184    H    ASN  24           H        ASN  24 -10.187   0.273   0.445
  185    HA   ASN  24           HA       ASN  24 -13.132  -0.494   0.023
  186   1HB   ASN  24          1HB       ASN  24 -12.065  -1.908   1.656
  187   2HB   ASN  24          2HB       ASN  24 -11.746  -0.507   2.694
  188   2HD2  ASN  24          2HD2      ASN  24 -13.768   0.577   3.653
  189   1HD2  ASN  24          1HD2      ASN  24 -15.220  -0.394   3.719
  190    H    ALA  25           H        ALA  25 -11.186   2.096   1.413
  191    HA   ALA  25           HA       ALA  25 -11.610   4.229   2.190
  192   1HB   ALA  25          1HB       ALA  25 -14.359   3.879   0.796
  193   2HB   ALA  25          3HB       ALA  25 -13.813   5.337   1.578
  194   3HB   ALA  25          2HB       ALA  25 -12.945   4.725   0.147
  195    H    ASP  26           H        ASP  26 -11.722   1.917   3.507
  196    HA   ASP  26           HA       ASP  26 -13.477   1.214   5.573
  197   1HB   ASP  26          1HB       ASP  26 -11.530   0.097   5.006
  198   2HB   ASP  26          2HB       ASP  26 -10.541   1.501   5.070
  199    H    THR  27           H        THR  27 -11.965   3.945   4.979
  200    HA   THR  27           HA       THR  27 -11.066   4.889   7.501
  201    HB   THR  27           HB       THR  27  -9.854   6.234   6.249
  202    HG1  THR  27           HG1      THR  27 -11.959   6.157   4.407
  203   1HG2  THR  27          1HG2      THR  27  -9.312   3.997   5.643
  204   2HG2  THR  27          2HG2      THR  27 -10.266   4.180   4.137
  205   3HG2  THR  27          3HG2      THR  27  -8.854   5.211   4.436
  206    H    SER  28           H        SER  28 -10.968   7.177   7.960
  207    HA   SER  28           HA       SER  28 -13.192   8.505   8.719
  208   1HB   SER  28          1HB       SER  28 -11.822  10.535   8.534
  209   2HB   SER  28          2HB       SER  28 -10.917   9.117   9.216
  210    HG   SER  28           HG       SER  28  -9.736  10.415   7.703
  211    H    SER  29           H        SER  29 -12.158   8.230   5.559
  212    HA   SER  29           HA       SER  29 -13.890   8.077   3.866
  213   1HB   SER  29          1HB       SER  29 -15.486   9.740   5.231
  214   2HB   SER  29          2HB       SER  29 -15.904   8.886   3.779
  215    HG   SER  29           HG       SER  29 -15.008   7.323   5.959
  216    H    GLU  30           H        GLU  30 -11.998   8.958   3.268
  217    HA   GLU  30           HA       GLU  30 -11.629   9.445   1.295
  218   1HB   GLU  30          1HB       GLU  30 -13.585  11.010   1.004
  219   2HB   GLU  30          2HB       GLU  30 -12.583  12.321   1.660
  220   1HG   GLU  30          1HG       GLU  30 -11.142  12.209  -0.352
  221   2HG   GLU  30          2HG       GLU  30 -12.075  10.832  -0.955
  222    H    GLU  31           H        GLU  31 -10.788  10.566   3.934
  223    HA   GLU  31           HA       GLU  31  -8.621  12.254   3.530
  224   1HB   GLU  31          1HB       GLU  31 -10.846  12.103   4.850
  225   2HB   GLU  31          2HB       GLU  31  -9.793  11.283   5.696
  226   1HG   GLU  31          1HG       GLU  31  -9.005  14.062   5.189
  227   2HG   GLU  31          2HG       GLU  31 -10.222  13.692   6.442
  228    H    GLU  32           H        GLU  32  -9.112   9.806   5.706
  229    HA   GLU  32           HA       GLU  32  -6.477   8.799   6.181
  230   1HB   GLU  32          1HB       GLU  32  -9.124   7.941   6.304
  231   2HB   GLU  32          2HB       GLU  32  -7.860   6.665   6.020
  232   1HG   GLU  32          1HG       GLU  32  -6.734   7.554   8.014
  233   2HG   GLU  32          2HG       GLU  32  -8.228   8.445   8.398
  234    H    LEU  33           H        LEU  33  -8.918   8.448   3.507
  235    HA   LEU  33           HA       LEU  33  -7.569   6.380   2.222
  236   1HB   LEU  33          1HB       LEU  33  -9.440   8.546   1.249
  237   2HB   LEU  33          2HB       LEU  33  -8.699   7.490   0.079
  238    HG   LEU  33           HG       LEU  33  -9.683   5.960   2.447
  239   1HD1  LEU  33          1HD1      LEU  33 -11.204   7.780   2.503
  240   2HD1  LEU  33          2HD1      LEU  33 -11.787   7.417   0.831
  241   3HD1  LEU  33          3HD1      LEU  33 -12.005   6.290   2.184
  242   1HD2  LEU  33          1HD2      LEU  33  -8.984   5.232   0.026
  243   2HD2  LEU  33          2HD2      LEU  33 -10.513   4.567   0.538
  244   3HD2  LEU  33          3HD2      LEU  33 -10.479   5.950  -0.551
  245    H    VAL  34           H        VAL  34  -7.392   9.892   1.525
  246    HA   VAL  34           HA       VAL  34  -5.311   9.892  -0.408
  247    HB   VAL  34           HB       VAL  34  -6.563  11.795   1.342
  248   1HG1  VAL  34          1HG1      VAL  34  -4.218  12.541  -0.440
  249   2HG1  VAL  34          2HG1      VAL  34  -5.358  13.712   0.264
  250   3HG1  VAL  34          3HG1      VAL  34  -4.318  12.756   1.323
  251   1HG2  VAL  34          1HG2      VAL  34  -7.669  11.034  -0.722
  252   2HG2  VAL  34          2HG2      VAL  34  -7.342  12.772  -0.752
  253   3HG2  VAL  34          3HG2      VAL  34  -6.293  11.652  -1.665
  254    H    LYS  35           H        LYS  35  -5.360   9.534   3.042
  255    HA   LYS  35           HA       LYS  35  -2.553  10.334   3.520
  256   1HB   LYS  35          1HB       LYS  35  -4.308  10.979   4.886
  257   2HB   LYS  35          2HB       LYS  35  -4.722   9.264   5.247
  258   1HG   LYS  35          1HG       LYS  35  -2.489   8.890   6.068
  259   2HG   LYS  35          2HG       LYS  35  -2.066  10.579   5.664
  260   1HD   LYS  35          2HD       LYS  35  -4.073   9.492   7.581
  261   2HD   LYS  35          1HD       LYS  35  -2.520  10.346   7.933
  262   1HE   LYS  35          2HE       LYS  35  -4.169  11.953   8.497
  263   2HE   LYS  35          1HE       LYS  35  -3.630  12.414   6.879
  264   1HZ   LYS  35          1HZ       LYS  35  -5.681  11.326   6.016
  265   2HZ   LYS  35          2HZ       LYS  35  -6.192  11.043   7.565
  266   3HZ   LYS  35          3HZ       LYS  35  -6.010  12.527   7.047
  267    H    LEU  36           H        LEU  36  -4.600   7.188   3.398
  268    HA   LEU  36           HA       LEU  36  -2.492   5.507   4.045
  269   1HB   LEU  36          1HB       LEU  36  -5.277   5.583   2.720
  270   2HB   LEU  36          2HB       LEU  36  -4.432   4.107   2.881
  271    HG   LEU  36           HG       LEU  36  -6.078   5.243   4.612
  272   1HD1  LEU  36          1HD1      LEU  36  -5.208   2.771   4.308
  273   2HD1  LEU  36          2HD1      LEU  36  -3.870   3.215   5.346
  274   3HD1  LEU  36          3HD1      LEU  36  -5.506   3.240   6.011
  275   1HD2  LEU  36          1HD2      LEU  36  -4.490   6.715   5.789
  276   2HD2  LEU  36          2HD2      LEU  36  -5.116   5.436   6.818
  277   3HD2  LEU  36          3HD2      LEU  36  -3.495   5.290   6.140
  278    H    VAL  37           H        VAL  37  -3.741   7.103   1.143
  279    HA   VAL  37           HA       VAL  37  -2.212   5.706  -0.847
  280    HB   VAL  37           HB       VAL  37  -3.546   8.381  -0.531
  281   1HG1  VAL  37          1HG1      VAL  37  -1.803   7.835  -2.930
  282   2HG1  VAL  37          2HG1      VAL  37  -3.052   9.105  -2.819
  283   3HG1  VAL  37          3HG1      VAL  37  -1.646   9.173  -1.767
  284   1HG2  VAL  37          1HG2      VAL  37  -4.769   6.294  -1.221
  285   2HG2  VAL  37          2HG2      VAL  37  -4.970   7.734  -2.247
  286   3HG2  VAL  37          3HG2      VAL  37  -3.889   6.420  -2.761
  287    H    THR  38           H        THR  38  -1.563   8.671   1.003
  288    HA   THR  38           HA       THR  38   0.997   9.136  -0.122
  289    HB   THR  38           HB       THR  38  -0.324  10.159   1.932
  290    HG1  THR  38           HG1      THR  38  -1.496  10.733   0.295
  291   1HG2  THR  38          1HG2      THR  38   1.988  10.891   2.314
  292   2HG2  THR  38          2HG2      THR  38   2.095  11.413   0.620
  293   3HG2  THR  38          3HG2      THR  38   1.068  12.304   1.765
  294    H    HIS  39           H        HIS  39  -0.081   7.652   2.862
  295    HA   HIS  39           HA       HIS  39   2.459   7.067   4.035
  296   1HB   HIS  39          1HB       HIS  39   0.588   6.785   5.449
  297   2HB   HIS  39          2HB       HIS  39  -0.299   6.083   4.142
  298    HD1  HIS  39           HD1      HIS  39   2.522   4.781   6.482
  299    HD2  HIS  39           HD2      HIS  39  -0.716   3.583   4.055
  300    HE1  HIS  39           HE1      HIS  39   2.099   2.303   6.961
  301    H    PHE  40           H        PHE  40   0.407   5.360   1.488
  302    HA   PHE  40           HA       PHE  40   2.134   3.017   1.553
  303   1HB   PHE  40          1HB       PHE  40  -0.106   3.194   0.458
  304   2HB   PHE  40          2HB       PHE  40   0.579   4.210  -0.785
  305    HD1  PHE  40           HD1      PHE  40   3.128   2.849  -1.651
  306    HD2  PHE  40           HD2      PHE  40  -0.755   1.400  -0.559
  307    HE1  PHE  40           HE1      PHE  40   3.376   1.059  -3.238
  308    HE2  PHE  40           HE2      PHE  40  -0.523  -0.457  -2.281
  309    HZ   PHE  40           HZ       PHE  40   1.544  -0.648  -3.561
  310    H    GLU  41           H        GLU  41   1.928   5.741  -0.524
  311    HA   GLU  41           HA       GLU  41   3.955   5.859  -2.134
  312   1HB   GLU  41          1HB       GLU  41   3.028   8.248  -1.069
  313   2HB   GLU  41          2HB       GLU  41   4.021   7.926  -2.507
  314   1HG   GLU  41          1HG       GLU  41   1.294   7.646  -2.050
  315   2HG   GLU  41          2HG       GLU  41   2.192   7.727  -3.602
  316    H    GLU  42           H        GLU  42   4.071   6.923   1.118
  317    HA   GLU  42           HA       GLU  42   6.680   7.654   1.464
  318   1HB   GLU  42          1HB       GLU  42   4.969   8.551   2.799
  319   2HB   GLU  42          2HB       GLU  42   4.669   6.927   3.086
  320   1HG   GLU  42          2HG       GLU  42   5.393   8.036   5.100
  321   2HG   GLU  42          1HG       GLU  42   6.288   6.600   4.699
  322    H    MET  43           H        MET  43   4.841   4.870   2.412
  323    HA   MET  43           HA       MET  43   6.610   3.875   4.103
  324   1HB   MET  43          1HB       MET  43   4.112   3.313   3.949
  325   2HB   MET  43          2HB       MET  43   4.598   2.013   2.867
  326   1HG   MET  43          2HG       MET  43   4.611   0.951   4.886
  327   2HG   MET  43          1HG       MET  43   6.238   1.624   4.984
  328   1HE   MET  43          1HE       MET  43   6.954   3.598   6.517
  329   2HE   MET  43          2HE       MET  43   5.766   4.727   5.810
  330   3HE   MET  43          3HE       MET  43   5.847   4.520   7.561
  331    H    THR  44           H        THR  44   6.327   3.093   0.781
  332    HA   THR  44           HA       THR  44   8.433   0.980   0.982
  333    HB   THR  44           HB       THR  44   6.599  -0.225   0.563
  334    HG1  THR  44           HG1      THR  44   8.000   0.414  -1.671
  335   1HG2  THR  44          1HG2      THR  44   5.464   1.986  -1.156
  336   2HG2  THR  44          2HG2      THR  44   4.765   0.347  -1.017
  337   3HG2  THR  44          3HG2      THR  44   4.868   1.370   0.395
  338    H    GLU  45           H        GLU  45   8.160   4.157   0.087
  339    HA   GLU  45           HA       GLU  45   9.069   5.483  -1.520
  340   1HB   GLU  45          1HB       GLU  45  10.961   4.739  -0.089
  341   2HB   GLU  45          2HB       GLU  45  11.256   3.479  -1.261
  342   1HG   GLU  45          1HG       GLU  45  11.446   5.718  -2.882
  343   2HG   GLU  45          2HG       GLU  45  11.982   6.365  -1.332
  344    H    HIS  46           H        HIS  46   7.157   3.879  -2.674
  345    HA   HIS  46           HA       HIS  46   8.488   2.225  -4.694
  346   1HB   HIS  46          1HB       HIS  46   6.717   1.132  -3.523
  347   2HB   HIS  46          2HB       HIS  46   5.571   2.418  -3.920
  348    HD1  HIS  46           HD1      HIS  46   4.715   2.509  -6.452
  349    HD2  HIS  46           HD2      HIS  46   7.468  -0.567  -5.640
  350    HE1  HIS  46           HE1      HIS  46   4.871   1.054  -8.562
  351    HA   PRO  47           HA       PRO  47   8.449   5.120  -8.098
  352   1HB   PRO  47          2HB       PRO  47   7.253   2.628  -9.393
  353   2HB   PRO  47          1HB       PRO  47   8.408   3.806 -10.089
  354   1HG   PRO  47          1HG       PRO  47   9.234   1.439  -8.866
  355   2HG   PRO  47          2HG       PRO  47  10.126   2.966  -8.710
  356   1HD   PRO  47          2HD       PRO  47   8.418   1.484  -6.857
  357   2HD   PRO  47          1HD       PRO  47   9.791   2.494  -6.543
  358    H    SER  48           H        SER  48   5.617   3.010  -8.344
  359    HA   SER  48           HA       SER  48   4.268   5.049  -9.803
  360   1HB   SER  48          1HB       SER  48   3.235   2.302  -9.501
  361   2HB   SER  48          2HB       SER  48   3.151   3.388 -10.876
  362    HG   SER  48           HG       SER  48   4.631   1.903 -11.376
  363    H    GLY  49           H        GLY  49   4.050   5.291  -6.800
  364   1HA   GLY  49          2HA       GLY  49   2.382   6.373  -5.509
  365   2HA   GLY  49          1HA       GLY  49   2.090   4.655  -5.338
  366    H    SER  50           H        SER  50   1.184   7.293  -7.505
  367    HA   SER  50           HA       SER  50  -1.655   6.956  -6.935
  368   1HB   SER  50          1HB       SER  50  -0.532   9.132  -7.524
  369   2HB   SER  50          2HB       SER  50  -0.403   8.563  -9.197
  370    HG   SER  50           HG       SER  50  -2.676   8.303  -9.152
  371    H    ASP  51           H        ASP  51   0.167   4.785  -8.691
  372    HA   ASP  51           HA       ASP  51  -1.515   4.313 -10.946
  373   1HB   ASP  51          1HB       ASP  51   1.509   4.742 -10.932
  374   2HB   ASP  51          2HB       ASP  51   0.560   4.122 -12.238
  375    H    LEU  52           H        LEU  52  -0.050   3.203  -7.789
  376    HA   LEU  52           HA       LEU  52  -0.695   0.642  -8.959
  377   1HB   LEU  52          1HB       LEU  52   0.504  -0.311  -7.069
  378   2HB   LEU  52          2HB       LEU  52   1.400   0.129  -8.517
  379    HG   LEU  52           HG       LEU  52   2.644   1.791  -7.423
  380   1HD1  LEU  52          1HD1      LEU  52   0.931   1.317  -4.975
  381   2HD1  LEU  52          2HD1      LEU  52   2.434   2.286  -5.031
  382   3HD1  LEU  52          3HD1      LEU  52   1.007   2.793  -5.921
  383   1HD2  LEU  52          1HD2      LEU  52   2.087  -0.685  -5.753
  384   2HD2  LEU  52          2HD2      LEU  52   3.260  -0.523  -7.080
  385   3HD2  LEU  52          3HD2      LEU  52   3.498   0.338  -5.530
  386    H    ILE  53           H        ILE  53  -2.101   3.167  -7.872
  387    HA   ILE  53           HA       ILE  53  -3.380   1.635  -5.798
  388    HB   ILE  53           HB       ILE  53  -2.561   4.490  -5.692
  389   1HG1  ILE  53          1HG1      ILE  53  -0.983   2.639  -4.821
  390   2HG1  ILE  53          2HG1      ILE  53  -1.625   3.618  -3.565
  391   1HG2  ILE  53          1HG2      ILE  53  -4.782   3.038  -4.210
  392   2HG2  ILE  53          2HG2      ILE  53  -3.918   4.460  -3.561
  393   3HG2  ILE  53          3HG2      ILE  53  -4.801   4.528  -5.108
  394   1HD1  ILE  53          1HD1      ILE  53  -3.397   1.489  -3.847
  395   2HD1  ILE  53          2HD1      ILE  53  -1.715   0.924  -3.835
  396   3HD1  ILE  53          3HD1      ILE  53  -2.328   1.997  -2.521
  397    H    TYR  54           H        TYR  54  -3.759   4.120  -8.455
  398    HA   TYR  54           HA       TYR  54  -6.355   2.801  -8.990
  399   1HB   TYR  54          1HB       TYR  54  -6.361   5.749  -9.121
  400   2HB   TYR  54          2HB       TYR  54  -7.676   4.592  -8.930
  401    HD1  TYR  54           HD1      TYR  54  -7.941   3.482  -6.546
  402    HD2  TYR  54           HD2      TYR  54  -5.304   6.811  -7.231
  403    HE1  TYR  54           HE1      TYR  54  -8.318   4.231  -4.219
  404    HE2  TYR  54           HE2      TYR  54  -5.343   7.277  -4.798
  405    HH   TYR  54           HH       TYR  54  -6.354   6.784  -2.766
  406    H    TYR  55           H        TYR  55  -3.691   4.774 -10.385
  407    HA   TYR  55           HA       TYR  55  -5.039   4.631 -12.981
  408   1HB   TYR  55          1HB       TYR  55  -3.575   6.561 -12.031
  409   2HB   TYR  55          2HB       TYR  55  -2.231   5.580 -12.590
  410    HD1  TYR  55           HD1      TYR  55  -5.523   6.987 -13.762
  411    HD2  TYR  55           HD2      TYR  55  -1.509   5.849 -14.807
  412    HE1  TYR  55           HE1      TYR  55  -5.880   7.873 -16.061
  413    HE2  TYR  55           HE2      TYR  55  -1.831   6.705 -17.084
  414    HH   TYR  55           HH       TYR  55  -3.362   7.538 -18.570
  415    HA   PRO  56           HA       PRO  56  -2.266   0.920 -13.933
  416   1HB   PRO  56          1HB       PRO  56  -2.432  -1.155 -12.237
  417   2HB   PRO  56          2HB       PRO  56  -1.293   0.152 -11.884
  418   1HG   PRO  56          2HG       PRO  56  -4.149  -0.133 -10.834
  419   2HG   PRO  56          1HG       PRO  56  -2.669   0.136  -9.853
  420   1HD   PRO  56          1HD       PRO  56  -4.432   1.940 -10.727
  421   2HD   PRO  56          2HD       PRO  56  -2.734   2.389 -10.381
  422    H    LYS  57           H        LYS  57  -3.491  -1.524 -14.108
  423    HA   LYS  57           HA       LYS  57  -5.506  -2.731 -13.290
  424   1HB   LYS  57          1HB       LYS  57  -6.649  -0.692 -12.727
  425   2HB   LYS  57          2HB       LYS  57  -6.891  -0.414 -14.462
  426   1HG   LYS  57          1HG       LYS  57  -8.336  -2.356 -14.686
  427   2HG   LYS  57          2HG       LYS  57  -7.890  -2.909 -13.059
  428   1HD   LYS  57          1HD       LYS  57  -9.852  -1.910 -12.631
  429   2HD   LYS  57          2HD       LYS  57  -8.732  -0.615 -12.253
  430   1HE   LYS  57          2HE       LYS  57 -10.581  -0.905 -14.667
  431   2HE   LYS  57          1HE       LYS  57 -10.538   0.414 -13.481
  432   1HZ   LYS  57          1HZ       LYS  57  -8.297   0.959 -14.510
  433   2HZ   LYS  57          2HZ       LYS  57  -8.635  -0.154 -15.664
  434   3HZ   LYS  57          3HZ       LYS  57  -9.547   1.132 -15.591
  435    H    GLU  58           H        GLU  58  -4.625  -0.968 -15.934
  436    HA   GLU  58           HA       GLU  58  -6.364  -2.248 -17.617
  437   1HB   GLU  58          1HB       GLU  58  -5.522   0.151 -17.332
  438   2HB   GLU  58          2HB       GLU  58  -4.699  -0.428 -18.852
  439   1HG   GLU  58          1HG       GLU  58  -6.709   0.382 -19.650
  440   2HG   GLU  58          2HG       GLU  58  -7.046  -1.349 -19.412
  441    H    GLY  59           H        GLY  59  -3.750  -3.083 -17.187
  442   1HA   GLY  59          2HA       GLY  59  -2.690  -4.532 -19.369
  443   2HA   GLY  59          1HA       GLY  59  -4.094  -5.399 -18.639
  444    H    ASP  60           H        ASP  60  -3.479  -3.900 -16.053
  445    HA   ASP  60           HA       ASP  60  -0.901  -5.053 -15.115
  446   1HB   ASP  60          1HB       ASP  60  -1.992  -2.225 -15.200
  447   2HB   ASP  60          2HB       ASP  60  -0.790  -2.671 -14.001
  448    H    ASP  61           H        ASP  61  -1.185  -6.228 -13.637
  449    HA   ASP  61           HA       ASP  61  -3.454  -6.761 -12.246
  450   1HB   ASP  61          1HB       ASP  61  -2.020  -8.487 -12.481
  451   2HB   ASP  61          2HB       ASP  61  -0.844  -7.532 -11.619
  452    H    ASP  62           H        ASP  62  -4.451  -5.063 -11.133
  453    HA   ASP  62           HA       ASP  62  -2.937  -3.525  -9.074
  454   1HB   ASP  62          1HB       ASP  62  -4.576  -1.856  -9.488
  455   2HB   ASP  62          2HB       ASP  62  -3.933  -2.408 -11.033
  456    H    SER  63           H        SER  63  -6.267  -4.519  -9.642
  457    HA   SER  63           HA       SER  63  -8.071  -4.646  -8.275
  458   1HB   SER  63          1HB       SER  63  -6.470  -6.972  -7.176
  459   2HB   SER  63          2HB       SER  63  -8.252  -6.825  -7.189
  460    HG   SER  63           HG       SER  63  -6.647  -6.835  -9.503
  461    HA   PRO  64           HA       PRO  64  -6.330  -3.132  -4.218
  462   1HB   PRO  64          1HB       PRO  64  -7.222  -4.310  -2.032
  463   2HB   PRO  64          2HB       PRO  64  -8.369  -3.589  -3.234
  464   1HG   PRO  64          2HG       PRO  64  -7.635  -6.500  -3.032
  465   2HG   PRO  64          1HG       PRO  64  -9.279  -5.770  -2.901
  466   1HD   PRO  64          1HD       PRO  64  -8.284  -6.569  -5.231
  467   2HD   PRO  64          2HD       PRO  64  -9.265  -5.090  -5.172
  468    H    SER  65           H        SER  65  -5.630  -5.988  -5.017
  469    HA   SER  65           HA       SER  65  -3.465  -6.719  -3.287
  470   1HB   SER  65          1HB       SER  65  -4.139  -8.947  -4.307
  471   2HB   SER  65          2HB       SER  65  -5.294  -8.129  -3.219
  472    HG   SER  65           HG       SER  65  -5.403  -8.420  -6.029
  473    H    GLY  66           H        GLY  66  -3.728  -6.747  -6.748
  474   1HA   GLY  66          2HA       GLY  66  -2.504  -6.835  -8.360
  475   2HA   GLY  66          1HA       GLY  66  -1.301  -7.806  -7.541
  476    H    ILE  67           H        ILE  67  -2.785  -4.545  -6.874
  477    HA   ILE  67           HA       ILE  67  -0.420  -3.241  -7.331
  478    HB   ILE  67           HB       ILE  67  -1.322  -1.546  -5.642
  479   1HG1  ILE  67          1HG1      ILE  67  -3.519  -3.542  -5.329
  480   2HG1  ILE  67          2HG1      ILE  67  -2.572  -2.698  -4.173
  481   1HG2  ILE  67          1HG2      ILE  67  -1.850  -1.684  -8.266
  482   2HG2  ILE  67          2HG2      ILE  67  -3.461  -2.230  -7.665
  483   3HG2  ILE  67          3HG2      ILE  67  -2.937  -0.654  -7.313
  484   1HD1  ILE  67          1HD1      ILE  67  -3.672  -0.521  -4.832
  485   2HD1  ILE  67          2HD1      ILE  67  -4.700  -1.389  -5.983
  486   3HD1  ILE  67          3HD1      ILE  67  -4.872  -1.690  -4.284
  487    H    VAL  68           H        VAL  68  -1.437  -4.509  -4.352
  488    HA   VAL  68           HA       VAL  68   0.848  -3.477  -2.822
  489    HB   VAL  68           HB       VAL  68  -0.690  -6.065  -2.333
  490   1HG1  VAL  68          1HG1      VAL  68   1.265  -4.830  -0.860
  491   2HG1  VAL  68          2HG1      VAL  68  -0.131  -4.009  -0.201
  492   3HG1  VAL  68          3HG1      VAL  68  -0.071  -5.775  -0.086
  493   1HG2  VAL  68          1HG2      VAL  68  -1.734  -3.325  -2.147
  494   2HG2  VAL  68          2HG2      VAL  68  -2.477  -4.796  -2.764
  495   3HG2  VAL  68          3HG2      VAL  68  -2.304  -4.555  -1.023
  496    H    ASN  69           H        ASN  69  -0.016  -6.030  -4.856
  497    HA   ASN  69           HA       ASN  69   2.268  -7.786  -4.765
  498   1HB   ASN  69          1HB       ASN  69  -0.015  -7.694  -5.990
  499   2HB   ASN  69          2HB       ASN  69   1.261  -7.828  -7.227
  500   2HD2  ASN  69          2HD2      ASN  69  -0.771  -9.735  -6.779
  501   1HD2  ASN  69          1HD2      ASN  69  -0.118 -11.152  -5.957
  502    H    THR  70           H        THR  70   1.598  -4.729  -6.446
  503    HA   THR  70           HA       THR  70   3.612  -5.217  -8.219
  504    HB   THR  70           HB       THR  70   2.316  -2.609  -7.354
  505    HG1  THR  70           HG1      THR  70   1.054  -4.397  -8.494
  506   1HG2  THR  70          1HG2      THR  70   4.392  -2.001  -8.518
  507   2HG2  THR  70          2HG2      THR  70   3.921  -3.022  -9.900
  508   3HG2  THR  70          3HG2      THR  70   2.964  -1.586  -9.475
  509    H    VAL  71           H        VAL  71   3.375  -3.632  -5.159
  510    HA   VAL  71           HA       VAL  71   6.017  -2.636  -4.823
  511    HB   VAL  71           HB       VAL  71   3.819  -3.443  -2.818
  512   1HG1  VAL  71          1HG1      VAL  71   6.446  -2.242  -2.313
  513   2HG1  VAL  71          2HG1      VAL  71   5.086  -2.363  -1.165
  514   3HG1  VAL  71          3HG1      VAL  71   5.872  -3.857  -1.745
  515   1HG2  VAL  71          1HG2      VAL  71   5.120  -0.939  -3.878
  516   2HG2  VAL  71          2HG2      VAL  71   3.484  -1.558  -4.254
  517   3HG2  VAL  71          3HG2      VAL  71   3.883  -1.054  -2.585
  518    H    LYS  72           H        LYS  72   4.183  -5.661  -4.135
  519    HA   LYS  72           HA       LYS  72   6.367  -6.866  -2.877
  520   1HB   LYS  72          1HB       LYS  72   3.764  -7.685  -3.669
  521   2HB   LYS  72          2HB       LYS  72   4.859  -9.001  -4.125
  522   1HG   LYS  72          1HG       LYS  72   4.405  -9.318  -1.813
  523   2HG   LYS  72          2HG       LYS  72   5.947  -8.492  -1.835
  524   1HD   LYS  72          1HD       LYS  72   5.010  -6.853  -0.636
  525   2HD   LYS  72          2HD       LYS  72   4.001  -6.427  -1.913
  526   1HE   LYS  72          1HE       LYS  72   2.216  -7.974  -1.302
  527   2HE   LYS  72          2HE       LYS  72   3.224  -8.657  -0.021
  528   1HZ   LYS  72          1HZ       LYS  72   3.151  -6.512   1.088
  529   2HZ   LYS  72          2HZ       LYS  72   2.125  -5.918  -0.068
  530   3HZ   LYS  72          3HZ       LYS  72   1.665  -7.142   0.936
  531    H    GLN  73           H        GLN  73   6.365  -6.120  -5.838
  532    HA   GLN  73           HA       GLN  73   8.279  -7.979  -6.651
  533   1HB   GLN  73          2HB       GLN  73   6.340  -6.471  -8.413
  534   2HB   GLN  73          1HB       GLN  73   7.589  -7.592  -9.033
  535   1HG   GLN  73          1HG       GLN  73   6.735  -9.265  -7.328
  536   2HG   GLN  73          2HG       GLN  73   5.510  -8.309  -6.918
  537   2HE2  GLN  73          2HE2      GLN  73   3.639  -8.283  -7.848
  538   1HE2  GLN  73          1HE2      GLN  73   3.202  -9.174  -9.310
  539    H    TRP  74           H        TRP  74   7.629  -4.569  -6.860
  540    HA   TRP  74           HA       TRP  74  10.214  -3.580  -7.674
  541   1HB   TRP  74          1HB       TRP  74   8.071  -2.312  -7.698
  542   2HB   TRP  74          2HB       TRP  74   8.439  -2.157  -5.970
  543    HD1  TRP  74           HD1      TRP  74   9.794  -1.384  -9.390
  544    HE1  TRP  74           HE1      TRP  74  11.691   0.322  -9.385
  545    HE3  TRP  74           HE3      TRP  74   9.902  -0.499  -4.400
  546    HZ2  TRP  74           HZ2      TRP  74  12.871   2.110  -7.451
  547    HZ3  TRP  74           HZ3      TRP  74  11.135   1.405  -3.599
  548    HH2  TRP  74           HH2      TRP  74  12.635   2.746  -5.055
  549    H    ARG  75           H        ARG  75   8.596  -3.651  -4.495
  550    HA   ARG  75           HA       ARG  75  10.894  -3.241  -2.895
  551   1HB   ARG  75          1HB       ARG  75   8.198  -3.352  -2.387
  552   2HB   ARG  75          2HB       ARG  75   8.503  -5.051  -2.132
  553   1HG   ARG  75          1HG       ARG  75  10.415  -3.989  -0.498
  554   2HG   ARG  75          2HG       ARG  75   9.190  -2.695  -0.450
  555   1HD   ARG  75          2HD       ARG  75   8.615  -4.091   1.277
  556   2HD   ARG  75          1HD       ARG  75   7.553  -4.636  -0.025
  557    HE   ARG  75           HE       ARG  75  10.116  -5.955   0.838
  558   1HH1  ARG  75          1HH1      ARG  75   7.114  -6.677  -0.802
  559   2HH1  ARG  75          2HH1      ARG  75   6.788  -8.122   0.139
  560   1HH2  ARG  75          1HH2      ARG  75   9.794  -7.926   1.936
  561   2HH2  ARG  75          2HH2      ARG  75   8.197  -8.687   1.836
  562    H    ALA  76           H        ALA  76  10.004  -5.970  -4.645
  563    HA   ALA  76           HA       ALA  76  11.580  -7.628  -2.773
  564   1HB   ALA  76          1HB       ALA  76   9.775  -8.618  -5.009
  565   2HB   ALA  76          3HB       ALA  76  10.661  -9.667  -3.892
  566   3HB   ALA  76          2HB       ALA  76   9.371  -8.624  -3.264
  567    H    ALA  77           H        ALA  77  11.644  -6.219  -5.746
  568    HA   ALA  77           HA       ALA  77  14.058  -7.759  -6.485
  569   1HB   ALA  77          1HB       ALA  77  12.285  -7.305  -8.268
  570   2HB   ALA  77          3HB       ALA  77  12.497  -5.567  -7.987
  571   3HB   ALA  77          2HB       ALA  77  13.821  -6.503  -8.707
  572    H    ASN  78           H        ASN  78  13.073  -4.656  -5.611
  573    HA   ASN  78           HA       ASN  78  15.713  -3.571  -5.387
  574   1HB   ASN  78          1HB       ASN  78  13.278  -2.505  -5.843
  575   2HB   ASN  78          2HB       ASN  78  13.077  -2.726  -4.156
  576   2HD2  ASN  78          2HD2      ASN  78  13.772  -0.301  -6.291
  577   1HD2  ASN  78          1HD2      ASN  78  14.980   0.588  -5.399
  578    H    GLY  79           H        GLY  79  13.674  -5.521  -3.907
  579   1HA   GLY  79          2HA       GLY  79  15.474  -6.466  -1.862
  580   2HA   GLY  79          1HA       GLY  79  13.754  -6.895  -1.919
  581    H    LYS  80           H        LYS  80  12.944  -4.167  -1.885
  582    HA   LYS  80           HA       LYS  80  14.123  -2.313  -0.447
  583   1HB   LYS  80          1HB       LYS  80  11.342  -2.331   0.202
  584   2HB   LYS  80          2HB       LYS  80  12.458  -1.026   0.366
  585   1HG   LYS  80          1HG       LYS  80  12.441  -2.368  -2.251
  586   2HG   LYS  80          2HG       LYS  80  11.080  -1.507  -1.918
  587   1HD   LYS  80          1HD       LYS  80  13.659  -0.781  -1.918
  588   2HD   LYS  80          2HD       LYS  80  12.702  -0.560  -3.259
  589   1HE   LYS  80          1HE       LYS  80  11.357   1.005  -2.021
  590   2HE   LYS  80          2HE       LYS  80  12.090   0.762  -0.651
  591   1HZ   LYS  80          1HZ       LYS  80  14.293   1.570  -1.895
  592   2HZ   LYS  80          2HZ       LYS  80  13.197   2.393  -2.807
  593   3HZ   LYS  80          3HZ       LYS  80  13.292   2.676  -1.267
  594    H    SER  81           H        SER  81  12.201  -4.586   1.063
  595    HA   SER  81           HA       SER  81  12.677  -4.424   3.973
  596   1HB   SER  81          1HB       SER  81  10.234  -3.707   4.152
  597   2HB   SER  81          2HB       SER  81  11.523  -2.517   4.032
  598    HG   SER  81           HG       SER  81  10.025  -1.856   2.602
  599    H    GLY  82           H        GLY  82  11.180  -5.446   4.972
  600   1HA   GLY  82          2HA       GLY  82  11.525  -7.885   5.165
  601   2HA   GLY  82          1HA       GLY  82  10.404  -8.047   3.750
  602    H    PHE  83           H        PHE  83   8.984  -5.692   5.078
  603    HA   PHE  83           HA       PHE  83   7.680  -5.089   6.710
  604   1HB   PHE  83          2HB       PHE  83   6.322  -7.566   5.746
  605   2HB   PHE  83          1HB       PHE  83   5.813  -6.162   6.707
  606    HD1  PHE  83           HD1      PHE  83   7.185  -6.692   3.409
  607    HD2  PHE  83           HD2      PHE  83   4.190  -4.802   5.802
  608    HE1  PHE  83           HE1      PHE  83   6.363  -5.582   1.460
  609    HE2  PHE  83           HE2      PHE  83   3.395  -3.668   3.951
  610    HZ   PHE  83           HZ       PHE  83   4.340  -4.020   1.528
  611    H    LYS  84           H        LYS  84   6.673  -7.912   7.399
  612    HA   LYS  84           HA       LYS  84   7.324  -8.478  10.096
  613   1HB   LYS  84          1HB       LYS  84   6.423  -6.141   9.886
  614   2HB   LYS  84          2HB       LYS  84   4.949  -7.093   9.882
  615   1HG   LYS  84          1HG       LYS  84   5.734  -8.376  11.854
  616   2HG   LYS  84          2HG       LYS  84   7.201  -7.403  11.861
  617   1HD   LYS  84          1HD       LYS  84   5.899  -6.538  13.485
  618   2HD   LYS  84          2HD       LYS  84   5.914  -5.421  12.095
  619   1HE   LYS  84          2HE       LYS  84   3.690  -5.259  12.930
  620   2HE   LYS  84          1HE       LYS  84   3.610  -6.238  11.480
  621   1HZ   LYS  84          1HZ       LYS  84   3.662  -8.222  13.103
  622   2HZ   LYS  84          2HZ       LYS  84   3.336  -7.153  14.268
  623   3HZ   LYS  84          3HZ       LYS  84   2.302  -7.326  13.011
  624    H    GLN  85           H        GLN  85   5.938 -10.042  10.619
  625    HA   GLN  85           HA       GLN  85   4.785 -11.688   8.412
  626   1HB   GLN  85          1HB       GLN  85   6.902 -12.269   9.632
  627   2HB   GLN  85          2HB       GLN  85   5.586 -13.421  10.048
  628   1HG   GLN  85          1HG       GLN  85   6.247 -12.681   7.248
  629   2HG   GLN  85          2HG       GLN  85   7.153 -13.929   8.120
  630   2HE2  GLN  85          2HE2      GLN  85   3.468 -13.421   8.316
  631   1HE2  GLN  85          1HE2      GLN  85   3.218 -14.996   7.613
  632    H    GLY  86           H        GLY  86   4.887 -11.427  11.776
  633   1HA   GLY  86          2HA       GLY  86   2.837 -12.439  13.140
  634   2HA   GLY  86          1HA       GLY  86   1.989 -11.335  12.020

  No H/Q in entry =         634
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -5.223   3.089   9.181
    2    H2   MET   1           H2       MET   1  -6.481   4.132   8.777
    3    H3   MET   1           H3       MET   1  -5.156   4.703   9.532
    4    HA   MET   1           HA       MET   1  -6.861   4.593  11.059
    5   1HB   MET   1          1HB       MET   1  -7.811   2.367  11.689
    6   2HB   MET   1          2HB       MET   1  -8.369   3.196  10.234
    7   1HG   MET   1          1HG       MET   1  -6.982   1.662   8.830
    8   2HG   MET   1          2HG       MET   1  -6.484   0.805  10.293
    9   1HE   MET   1          1HE       MET   1  -9.226   1.609   7.724
   10   2HE   MET   1          2HE       MET   1 -10.687   0.830   8.371
   11   3HE   MET   1          3HE       MET   1 -10.052   2.293   9.141
   12    H    GLU   2           H        GLU   2  -5.883   1.373  12.096
   13    HA   GLU   2           HA       GLU   2  -3.296   1.944  13.087
   14   1HB   GLU   2          1HB       GLU   2  -4.768  -0.462  12.049
   15   2HB   GLU   2          2HB       GLU   2  -3.004  -0.515  12.018
   16   1HG   GLU   2          1HG       GLU   2  -4.004  -1.458  14.112
   17   2HG   GLU   2          2HG       GLU   2  -2.779  -0.216  14.334
   18    H    LEU   3           H        LEU   3  -1.245   1.839  11.934
   19    HA   LEU   3           HA       LEU   3  -0.749   2.448   9.390
   20   1HB   LEU   3          1HB       LEU   3  -1.762   4.570  11.335
   21   2HB   LEU   3          2HB       LEU   3  -0.296   4.967  10.443
   22    HG   LEU   3           HG       LEU   3  -2.874   4.092   9.163
   23   1HD1  LEU   3          1HD1      LEU   3  -2.967   6.349  10.236
   24   2HD1  LEU   3          2HD1      LEU   3  -1.557   6.838   9.258
   25   3HD1  LEU   3          3HD1      LEU   3  -3.103   6.422   8.460
   26   1HD2  LEU   3          1HD2      LEU   3  -0.218   5.121   8.090
   27   2HD2  LEU   3          2HD2      LEU   3  -1.013   3.585   7.679
   28   3HD2  LEU   3          3HD2      LEU   3  -1.647   5.104   7.079
   29    H    LYS   4           H        LYS   4   1.405   3.525   9.618
   30    HA   LYS   4           HA       LYS   4   2.716   2.556  11.980
   31   1HB   LYS   4          1HB       LYS   4   2.313   0.938   9.670
   32   2HB   LYS   4          2HB       LYS   4   3.941   1.350   9.715
   33   1HG   LYS   4          2HG       LYS   4   3.665  -0.680  10.948
   34   2HG   LYS   4          1HG       LYS   4   4.093   0.659  12.053
   35   1HD   LYS   4          1HD       LYS   4   1.828   0.797  12.867
   36   2HD   LYS   4          2HD       LYS   4   1.275  -0.394  11.667
   37   1HE   LYS   4          2HE       LYS   4   1.357  -1.534  13.672
   38   2HE   LYS   4          1HE       LYS   4   2.880  -1.974  12.881
   39   1HZ   LYS   4          1HZ       LYS   4   3.643   0.163  14.314
   40   2HZ   LYS   4          2HZ       LYS   4   2.469  -0.426  15.305
   41   3HZ   LYS   4          3HZ       LYS   4   3.791  -1.323  14.853
   42    H    HIS   5           H        HIS   5   5.070   2.345  11.599
   43    HA   HIS   5           HA       HIS   5   6.048   4.978  10.820
   44   1HB   HIS   5          2HB       HIS   5   7.831   3.043  12.220
   45   2HB   HIS   5          1HB       HIS   5   7.572   4.725  12.500
   46    HD1  HIS   5           HD1      HIS   5   4.978   5.088  13.989
   47    HD2  HIS   5           HD2      HIS   5   6.606   1.326  13.290
   48    HE1  HIS   5           HE1      HIS   5   3.409   3.451  15.165
   49    H    SER   6           H        SER   6   6.194   1.778  10.131
   50    HA   SER   6           HA       SER   6   7.940   2.029   7.906
   51   1HB   SER   6          1HB       SER   6   8.431  -0.331   8.971
   52   2HB   SER   6          2HB       SER   6   9.335   1.198   9.179
   53    HG   SER   6           HG       SER   6   8.949   0.115  11.252
   54    H    ILE   7           H        ILE   7   7.696   0.529   6.454
   55    HA   ILE   7           HA       ILE   7   5.321  -0.953   6.135
   56    HB   ILE   7           HB       ILE   7   7.428  -0.164   4.589
   57   1HG1  ILE   7          1HG1      ILE   7   5.640  -2.506   4.099
   58   2HG1  ILE   7          2HG1      ILE   7   5.326  -0.803   3.714
   59   1HG2  ILE   7          1HG2      ILE   7   8.981  -1.866   5.709
   60   2HG2  ILE   7          2HG2      ILE   7   8.068  -3.119   4.811
   61   3HG2  ILE   7          3HG2      ILE   7   8.948  -1.841   3.959
   62   1HD1  ILE   7          1HD1      ILE   7   7.453  -0.913   2.311
   63   2HD1  ILE   7          2HD1      ILE   7   7.366  -2.683   2.517
   64   3HD1  ILE   7          3HD1      ILE   7   6.030  -1.834   1.703
   65    H    SER   8           H        SER   8   7.625  -1.455   8.394
   66    HA   SER   8           HA       SER   8   7.486  -4.301   8.392
   67   1HB   SER   8          1HB       SER   8   9.333  -4.238   7.843
   68   2HB   SER   8          2HB       SER   8   9.271  -2.575   7.731
   69    HG   SER   8           HG       SER   8  10.083  -3.903  10.088
   70    H    ASP   9           H        ASP   9   6.676  -1.453  10.241
   71    HA   ASP   9           HA       ASP   9   6.830  -3.138  12.673
   72   1HB   ASP   9          1HB       ASP   9   6.168  -0.300  12.161
   73   2HB   ASP   9          2HB       ASP   9   4.826  -1.095  12.840
   74    H    TYR  10           H        TYR  10   5.064  -3.115   9.767
   75    HA   TYR  10           HA       TYR  10   2.701  -4.167  11.394
   76   1HB   TYR  10          1HB       TYR  10   1.166  -3.772   9.726
   77   2HB   TYR  10          2HB       TYR  10   1.840  -2.368  10.484
   78    HD1  TYR  10           HD1      TYR  10   3.844  -3.823   7.707
   79    HD2  TYR  10           HD2      TYR  10   0.583  -1.183   8.751
   80    HE1  TYR  10           HE1      TYR  10   4.070  -2.660   5.568
   81    HE2  TYR  10           HE2      TYR  10   0.966   0.069   6.654
   82    HH   TYR  10           HH       TYR  10   2.445   0.427   4.897
   83    H    THR  11           H        THR  11   2.324  -5.254   8.182
   84    HA   THR  11           HA       THR  11   4.310  -7.242   7.994
   85    HB   THR  11           HB       THR  11   3.400  -9.191   8.474
   86    HG1  THR  11           HG1      THR  11   1.112  -9.658   8.440
   87   1HG2  THR  11          1HG2      THR  11   1.682  -7.729  10.426
   88   2HG2  THR  11          2HG2      THR  11   1.802  -9.493  10.319
   89   3HG2  THR  11          3HG2      THR  11   3.249  -8.569  10.660
   90    H    GLU  12           H        GLU  12   3.540  -8.658   5.977
   91    HA   GLU  12           HA       GLU  12   3.002  -6.687   3.966
   92   1HB   GLU  12          1HB       GLU  12   4.401  -8.953   3.941
   93   2HB   GLU  12          2HB       GLU  12   2.832  -9.685   3.537
   94   1HG   GLU  12          1HG       GLU  12   2.703  -7.695   1.795
   95   2HG   GLU  12          2HG       GLU  12   4.400  -7.556   2.075
   96    H    ALA  13           H        ALA  13   0.930  -8.732   5.713
   97    HA   ALA  13           HA       ALA  13  -1.276  -8.741   3.715
   98   1HB   ALA  13          1HB       ALA  13  -0.866 -10.875   4.924
   99   2HB   ALA  13          3HB       ALA  13  -1.082 -10.033   6.482
  100   3HB   ALA  13          2HB       ALA  13  -2.442 -10.179   5.350
  101    H    GLU  14           H        GLU  14  -0.150  -7.393   6.743
  102    HA   GLU  14           HA       GLU  14  -2.269  -5.838   7.670
  103   1HB   GLU  14          1HB       GLU  14   0.391  -6.276   8.170
  104   2HB   GLU  14          2HB       GLU  14   0.280  -4.546   7.855
  105   1HG   GLU  14          1HG       GLU  14  -1.721  -6.158   9.571
  106   2HG   GLU  14          2HG       GLU  14  -0.272  -5.534  10.144
  107    H    PHE  15           H        PHE  15   0.298  -5.096   5.340
  108    HA   PHE  15           HA       PHE  15  -0.795  -2.452   4.710
  109   1HB   PHE  15          1HB       PHE  15   1.644  -3.289   4.595
  110   2HB   PHE  15          2HB       PHE  15   1.204  -4.167   3.155
  111    HD1  PHE  15           HD1      PHE  15   0.071  -0.637   3.984
  112    HD2  PHE  15           HD2      PHE  15   2.601  -3.161   1.573
  113    HE1  PHE  15           HE1      PHE  15   0.937   1.349   2.805
  114    HE2  PHE  15           HE2      PHE  15   3.508  -1.152   0.436
  115    HZ   PHE  15           HZ       PHE  15   2.726   1.092   1.096
  116    H    LEU  16           H        LEU  16  -1.095  -5.775   3.462
  117    HA   LEU  16           HA       LEU  16  -2.166  -4.924   0.908
  118   1HB   LEU  16          1HB       LEU  16  -1.230  -7.139   1.413
  119   2HB   LEU  16          2HB       LEU  16  -2.584  -7.471   2.488
  120    HG   LEU  16           HG       LEU  16  -4.118  -7.744   0.823
  121   1HD1  LEU  16          1HD1      LEU  16  -3.644  -5.681  -0.562
  122   2HD1  LEU  16          2HD1      LEU  16  -2.321  -6.584  -1.336
  123   3HD1  LEU  16          3HD1      LEU  16  -4.030  -7.118  -1.431
  124   1HD2  LEU  16          1HD2      LEU  16  -2.322  -9.530   0.706
  125   2HD2  LEU  16          2HD2      LEU  16  -3.045  -9.272  -0.888
  126   3HD2  LEU  16          3HD2      LEU  16  -1.444  -8.584  -0.511
  127    H    GLN  17           H        GLN  17  -3.539  -5.588   4.102
  128    HA   GLN  17           HA       GLN  17  -6.102  -5.366   3.410
  129   1HB   GLN  17          1HB       GLN  17  -5.752  -6.472   5.442
  130   2HB   GLN  17          2HB       GLN  17  -4.406  -5.419   5.882
  131   1HG   GLN  17          1HG       GLN  17  -5.837  -3.693   6.637
  132   2HG   GLN  17          2HG       GLN  17  -7.272  -4.629   6.144
  133   2HE2  GLN  17          2HE2      GLN  17  -4.542  -4.415   8.611
  134   1HE2  GLN  17          1HE2      GLN  17  -5.328  -5.561   9.642
  135    H    LEU  18           H        LEU  18  -3.555  -3.228   4.398
  136    HA   LEU  18           HA       LEU  18  -5.163  -1.034   5.040
  137   1HB   LEU  18          1HB       LEU  18  -2.779  -1.386   5.643
  138   2HB   LEU  18          2HB       LEU  18  -2.282  -0.997   3.991
  139    HG   LEU  18           HG       LEU  18  -3.900   0.945   5.598
  140   1HD1  LEU  18          1HD1      LEU  18  -2.057   0.262   7.048
  141   2HD1  LEU  18          2HD1      LEU  18  -0.905   0.642   5.747
  142   3HD1  LEU  18          3HD1      LEU  18  -1.878   1.928   6.502
  143   1HD2  LEU  18          1HD2      LEU  18  -1.834   1.238   3.359
  144   2HD2  LEU  18          2HD2      LEU  18  -3.568   1.586   3.258
  145   3HD2  LEU  18          3HD2      LEU  18  -2.534   2.613   4.233
  146    H    VAL  19           H        VAL  19  -3.663  -2.103   2.110
  147    HA   VAL  19           HA       VAL  19  -4.150   0.075   0.096
  148    HB   VAL  19           HB       VAL  19  -3.612  -2.844  -0.051
  149   1HG1  VAL  19          1HG1      VAL  19  -4.086  -0.662  -2.140
  150   2HG1  VAL  19          2HG1      VAL  19  -3.402  -2.264  -2.433
  151   3HG1  VAL  19          3HG1      VAL  19  -5.055  -2.141  -1.917
  152   1HG2  VAL  19          1HG2      VAL  19  -2.010  -0.619   0.601
  153   2HG2  VAL  19          2HG2      VAL  19  -1.438  -2.107  -0.087
  154   3HG2  VAL  19          3HG2      VAL  19  -1.853  -0.729  -1.153
  155    H    THR  20           H        THR  20  -5.823  -2.964   1.415
  156    HA   THR  20           HA       THR  20  -8.082  -2.729  -0.324
  157    HB   THR  20           HB       THR  20  -6.917  -4.790   1.138
  158    HG1  THR  20           HG1      THR  20  -9.496  -4.664   0.006
  159   1HG2  THR  20          1HG2      THR  20  -8.179  -4.323   3.230
  160   2HG2  THR  20          2HG2      THR  20  -9.669  -4.555   2.336
  161   3HG2  THR  20          3HG2      THR  20  -8.468  -5.876   2.494
  162    H    THR  21           H        THR  21  -7.387  -1.297   2.844
  163    HA   THR  21           HA       THR  21 -10.075  -0.531   3.476
  164    HB   THR  21           HB       THR  21  -7.315  -0.206   4.370
  165    HG1  THR  21           HG1      THR  21  -9.759  -0.373   5.761
  166   1HG2  THR  21          1HG2      THR  21  -8.964   2.339   4.530
  167   2HG2  THR  21          2HG2      THR  21  -7.660   1.936   5.640
  168   3HG2  THR  21          3HG2      THR  21  -7.350   2.107   3.899
  169    H    ILE  22           H        ILE  22  -7.557   0.638   1.298
  170    HA   ILE  22           HA       ILE  22  -8.807   3.234   0.839
  171    HB   ILE  22           HB       ILE  22  -6.623   2.149  -0.950
  172   1HG1  ILE  22          1HG1      ILE  22  -6.316   2.851   1.957
  173   2HG1  ILE  22          2HG1      ILE  22  -5.544   1.603   0.953
  174   1HG2  ILE  22          1HG2      ILE  22  -7.830   4.321  -1.341
  175   2HG2  ILE  22          2HG2      ILE  22  -7.115   4.926   0.181
  176   3HG2  ILE  22          3HG2      ILE  22  -6.089   4.437  -1.194
  177   1HD1  ILE  22          1HD1      ILE  22  -4.226   3.382  -0.170
  178   2HD1  ILE  22          2HD1      ILE  22  -4.959   4.523   0.988
  179   3HD1  ILE  22          3HD1      ILE  22  -3.921   3.204   1.574
  180    H    CYS  23           H        CYS  23  -8.058   0.286  -1.101
  181    HA   CYS  23           HA       CYS  23 -10.020   0.798  -3.099
  182   1HB   CYS  23          2HB       CYS  23  -8.981  -1.978  -2.259
  183   2HB   CYS  23          1HB       CYS  23  -9.817  -1.523  -3.713
  184    H    ASN  24           H        ASN  24 -10.403   0.328   0.260
  185    HA   ASN  24           HA       ASN  24 -13.339  -0.209  -0.446
  186   1HB   ASN  24          1HB       ASN  24 -12.466  -1.948   0.963
  187   2HB   ASN  24          2HB       ASN  24 -12.138  -0.800   2.248
  188   2HD2  ASN  24          2HD2      ASN  24 -13.916  -0.952   3.915
  189   1HD2  ASN  24          1HD2      ASN  24 -15.525  -1.225   3.356
  190    H    ALA  25           H        ALA  25 -11.379   2.332   0.868
  191    HA   ALA  25           HA       ALA  25 -11.832   4.440   1.639
  192   1HB   ALA  25          1HB       ALA  25 -14.516   4.025   0.156
  193   2HB   ALA  25          3HB       ALA  25 -13.906   5.575   0.717
  194   3HB   ALA  25          2HB       ALA  25 -13.039   4.697  -0.563
  195    H    ASP  26           H        ASP  26 -12.336   2.178   2.984
  196    HA   ASP  26           HA       ASP  26 -14.197   1.644   4.893
  197   1HB   ASP  26          1HB       ASP  26 -12.335   0.611   3.800
  198   2HB   ASP  26          2HB       ASP  26 -11.238   1.450   4.883
  199    H    THR  27           H        THR  27 -12.964   4.345   4.680
  200    HA   THR  27           HA       THR  27 -11.525   4.887   7.202
  201    HB   THR  27           HB       THR  27 -10.250   6.262   6.090
  202    HG1  THR  27           HG1      THR  27 -12.267   6.438   4.113
  203   1HG2  THR  27          1HG2      THR  27  -9.983   4.046   5.270
  204   2HG2  THR  27          2HG2      THR  27 -10.891   4.496   3.794
  205   3HG2  THR  27          3HG2      THR  27  -9.373   5.331   4.210
  206    H    SER  28           H        SER  28 -11.165   7.370   7.465
  207    HA   SER  28           HA       SER  28 -13.344   8.391   8.871
  208   1HB   SER  28          1HB       SER  28 -11.987  10.508   8.718
  209   2HB   SER  28          2HB       SER  28 -11.088   9.042   9.285
  210    HG   SER  28           HG       SER  28  -9.960  10.388   7.735
  211    H    SER  29           H        SER  29 -12.537   8.450   5.630
  212    HA   SER  29           HA       SER  29 -14.240   8.483   4.053
  213   1HB   SER  29          2HB       SER  29 -16.100   9.857   3.884
  214   2HB   SER  29          1HB       SER  29 -16.124   8.874   5.370
  215    HG   SER  29           HG       SER  29 -15.428  10.831   6.426
  216    H    GLU  30           H        GLU  30 -13.145   8.961   2.650
  217    HA   GLU  30           HA       GLU  30 -12.010   9.551   1.328
  218   1HB   GLU  30          1HB       GLU  30 -14.021  11.209   1.120
  219   2HB   GLU  30          2HB       GLU  30 -12.862  12.476   1.540
  220   1HG   GLU  30          1HG       GLU  30 -11.658  12.111  -0.577
  221   2HG   GLU  30          2HG       GLU  30 -12.655  10.694  -0.934
  222    H    GLU  31           H        GLU  31 -11.215  10.642   3.960
  223    HA   GLU  31           HA       GLU  31  -9.053  12.327   3.556
  224   1HB   GLU  31          1HB       GLU  31 -11.075  12.336   4.883
  225   2HB   GLU  31          2HB       GLU  31 -10.269  11.195   5.621
  226   1HG   GLU  31          1HG       GLU  31  -9.051  13.864   5.516
  227   2HG   GLU  31          2HG       GLU  31 -10.310  13.462   6.732
  228    H    GLU  32           H        GLU  32  -9.472   9.904   5.622
  229    HA   GLU  32           HA       GLU  32  -6.848   8.693   6.022
  230   1HB   GLU  32          1HB       GLU  32  -9.518   7.958   6.228
  231   2HB   GLU  32          2HB       GLU  32  -8.318   6.629   5.916
  232   1HG   GLU  32          1HG       GLU  32  -7.642   8.536   7.968
  233   2HG   GLU  32          2HG       GLU  32  -9.019   7.658   8.371
  234    H    LEU  33           H        LEU  33  -9.265   8.741   3.314
  235    HA   LEU  33           HA       LEU  33  -7.990   6.550   2.051
  236   1HB   LEU  33          1HB       LEU  33  -9.866   8.749   1.182
  237   2HB   LEU  33          2HB       LEU  33  -9.110   7.816  -0.078
  238    HG   LEU  33           HG       LEU  33  -9.953   6.130   2.254
  239   1HD1  LEU  33          1HD1      LEU  33 -11.583   7.876   2.389
  240   2HD1  LEU  33          2HD1      LEU  33 -12.163   7.535   0.715
  241   3HD1  LEU  33          3HD1      LEU  33 -12.335   6.369   2.043
  242   1HD2  LEU  33          1HD2      LEU  33  -9.236   5.707  -0.345
  243   2HD2  LEU  33          2HD2      LEU  33 -10.398   4.650   0.348
  244   3HD2  LEU  33          3HD2      LEU  33 -10.935   5.997  -0.673
  245    H    VAL  34           H        VAL  34  -7.695  10.055   1.566
  246    HA   VAL  34           HA       VAL  34  -5.648  10.120  -0.408
  247    HB   VAL  34           HB       VAL  34  -6.881  11.927   1.457
  248   1HG1  VAL  34          1HG1      VAL  34  -4.538  12.726  -0.313
  249   2HG1  VAL  34          2HG1      VAL  34  -5.640  13.881   0.475
  250   3HG1  VAL  34          3HG1      VAL  34  -4.605  12.839   1.458
  251   1HG2  VAL  34          1HG2      VAL  34  -8.035  11.315  -0.628
  252   2HG2  VAL  34          2HG2      VAL  34  -7.667  13.041  -0.573
  253   3HG2  VAL  34          3HG2      VAL  34  -6.663  11.951  -1.563
  254    H    LYS  35           H        LYS  35  -5.706   9.726   3.065
  255    HA   LYS  35           HA       LYS  35  -2.878  10.363   3.506
  256   1HB   LYS  35          1HB       LYS  35  -4.636  11.210   4.883
  257   2HB   LYS  35          2HB       LYS  35  -5.336   9.602   5.044
  258   1HG   LYS  35          1HG       LYS  35  -2.627   9.468   5.899
  259   2HG   LYS  35          2HG       LYS  35  -3.466  10.852   6.629
  260   1HD   LYS  35          1HD       LYS  35  -4.748   8.183   6.576
  261   2HD   LYS  35          2HD       LYS  35  -3.389   8.470   7.655
  262   1HE   LYS  35          1HE       LYS  35  -5.635   8.839   8.762
  263   2HE   LYS  35          2HE       LYS  35  -4.495  10.178   8.902
  264   1HZ   LYS  35          1HZ       LYS  35  -6.669  10.152   6.883
  265   2HZ   LYS  35          2HZ       LYS  35  -6.851  10.849   8.292
  266   3HZ   LYS  35          3HZ       LYS  35  -5.771  11.438   7.281
  267    H    LEU  36           H        LEU  36  -4.983   7.410   3.631
  268    HA   LEU  36           HA       LEU  36  -2.864   5.645   4.202
  269   1HB   LEU  36          1HB       LEU  36  -5.745   5.449   3.096
  270   2HB   LEU  36          2HB       LEU  36  -4.802   4.056   3.381
  271    HG   LEU  36           HG       LEU  36  -5.660   6.024   5.517
  272   1HD1  LEU  36          1HD1      LEU  36  -7.136   4.230   4.775
  273   2HD1  LEU  36          2HD1      LEU  36  -5.849   3.063   5.269
  274   3HD1  LEU  36          3HD1      LEU  36  -6.665   4.093   6.479
  275   1HD2  LEU  36          1HD2      LEU  36  -3.572   3.867   5.837
  276   2HD2  LEU  36          2HD2      LEU  36  -3.477   5.622   6.211
  277   3HD2  LEU  36          3HD2      LEU  36  -4.505   4.588   7.170
  278    H    VAL  37           H        VAL  37  -4.229   7.143   1.284
  279    HA   VAL  37           HA       VAL  37  -2.780   5.643  -0.560
  280    HB   VAL  37           HB       VAL  37  -4.030   8.350  -0.447
  281   1HG1  VAL  37          1HG1      VAL  37  -2.050   7.871  -2.677
  282   2HG1  VAL  37          2HG1      VAL  37  -3.304   9.133  -2.635
  283   3HG1  VAL  37          3HG1      VAL  37  -2.007   9.171  -1.464
  284   1HG2  VAL  37          1HG2      VAL  37  -5.237   6.405  -1.234
  285   2HG2  VAL  37          2HG2      VAL  37  -5.147   7.675  -2.458
  286   3HG2  VAL  37          3HG2      VAL  37  -4.099   6.238  -2.591
  287    H    THR  38           H        THR  38  -1.903   8.599   1.214
  288    HA   THR  38           HA       THR  38   0.632   8.835   0.094
  289    HB   THR  38           HB       THR  38  -1.035  10.323   1.473
  290    HG1  THR  38           HG1      THR  38   0.638  10.715  -0.358
  291   1HG2  THR  38          1HG2      THR  38   0.164   9.936   3.616
  292   2HG2  THR  38          2HG2      THR  38   1.688  10.421   2.836
  293   3HG2  THR  38          3HG2      THR  38   0.398  11.614   3.071
  294    H    HIS  39           H        HIS  39  -0.535   7.393   3.093
  295    HA   HIS  39           HA       HIS  39   1.906   6.701   4.313
  296   1HB   HIS  39          1HB       HIS  39  -0.420   6.270   5.295
  297   2HB   HIS  39          2HB       HIS  39  -0.531   5.094   4.025
  298    HD1  HIS  39           HD1      HIS  39   2.298   5.547   6.653
  299    HD2  HIS  39           HD2      HIS  39  -0.199   2.701   4.829
  300    HE1  HIS  39           HE1      HIS  39   2.800   3.340   7.782
  301    H    PHE  40           H        PHE  40   0.175   5.327   1.485
  302    HA   PHE  40           HA       PHE  40   2.018   3.046   1.394
  303   1HB   PHE  40          1HB       PHE  40  -0.312   3.045   0.381
  304   2HB   PHE  40          2HB       PHE  40   0.307   4.073  -0.902
  305    HD1  PHE  40           HD1      PHE  40   2.586   3.163  -2.086
  306    HD2  PHE  40           HD2      PHE  40  -0.228   0.751   0.092
  307    HE1  PHE  40           HE1      PHE  40   3.270   1.196  -3.376
  308    HE2  PHE  40           HE2      PHE  40   0.414  -1.233  -1.286
  309    HZ   PHE  40           HZ       PHE  40   2.103  -0.996  -3.072
  310    H    GLU  41           H        GLU  41   1.572   5.979  -0.490
  311    HA   GLU  41           HA       GLU  41   3.825   6.075  -2.107
  312   1HB   GLU  41          1HB       GLU  41   2.705   8.309  -0.803
  313   2HB   GLU  41          2HB       GLU  41   3.610   8.343  -2.321
  314   1HG   GLU  41          1HG       GLU  41   1.774   7.288  -3.477
  315   2HG   GLU  41          2HG       GLU  41   0.863   7.112  -1.998
  316    H    GLU  42           H        GLU  42   3.744   6.647   1.384
  317    HA   GLU  42           HA       GLU  42   6.362   7.705   1.680
  318   1HB   GLU  42          1HB       GLU  42   4.417   8.187   3.092
  319   2HB   GLU  42          2HB       GLU  42   4.723   6.582   3.485
  320   1HG   GLU  42          1HG       GLU  42   6.180   8.941   4.398
  321   2HG   GLU  42          2HG       GLU  42   5.571   7.572   5.314
  322    H    MET  43           H        MET  43   4.803   4.895   2.789
  323    HA   MET  43           HA       MET  43   6.729   3.687   4.065
  324   1HB   MET  43          1HB       MET  43   4.108   2.878   2.926
  325   2HB   MET  43          2HB       MET  43   5.089   1.572   3.318
  326   1HG   MET  43          1HG       MET  43   3.576   2.437   5.151
  327   2HG   MET  43          2HG       MET  43   5.250   2.102   5.596
  328   1HE   MET  43          1HE       MET  43   7.074   3.888   6.101
  329   2HE   MET  43          2HE       MET  43   6.502   5.138   7.218
  330   3HE   MET  43          3HE       MET  43   6.020   3.438   7.455
  331    H    THR  44           H        THR  44   6.481   3.464   0.727
  332    HA   THR  44           HA       THR  44   8.218   1.109   0.790
  333    HB   THR  44           HB       THR  44   6.311   0.079   0.560
  334    HG1  THR  44           HG1      THR  44   6.017  -0.052  -1.922
  335   1HG2  THR  44          1HG2      THR  44   5.207   2.209  -1.249
  336   2HG2  THR  44          2HG2      THR  44   4.401   0.662  -0.831
  337   3HG2  THR  44          3HG2      THR  44   4.756   1.803   0.432
  338    H    GLU  45           H        GLU  45   8.322   4.238  -0.077
  339    HA   GLU  45           HA       GLU  45   9.601   5.436  -1.605
  340   1HB   GLU  45          1HB       GLU  45  11.297   2.983  -1.537
  341   2HB   GLU  45          2HB       GLU  45  11.841   4.551  -2.048
  342   1HG   GLU  45          1HG       GLU  45  11.830   5.400   0.204
  343   2HG   GLU  45          2HG       GLU  45  10.943   3.977   0.803
  344    H    HIS  46           H        HIS  46   7.443   3.721  -2.804
  345    HA   HIS  46           HA       HIS  46   8.865   2.192  -4.811
  346   1HB   HIS  46          1HB       HIS  46   7.197   0.977  -3.708
  347   2HB   HIS  46          2HB       HIS  46   5.951   2.199  -4.038
  348    HD1  HIS  46           HD1      HIS  46   5.403   2.521  -6.686
  349    HD2  HIS  46           HD2      HIS  46   7.374  -1.001  -5.604
  350    HE1  HIS  46           HE1      HIS  46   5.337   0.914  -8.745
  351    HA   PRO  47           HA       PRO  47   8.739   4.915  -8.336
  352   1HB   PRO  47          2HB       PRO  47   7.644   2.281  -9.412
  353   2HB   PRO  47          1HB       PRO  47   8.695   3.472 -10.251
  354   1HG   PRO  47          1HG       PRO  47   9.797   1.337  -8.864
  355   2HG   PRO  47          2HG       PRO  47  10.527   2.963  -8.790
  356   1HD   PRO  47          2HD       PRO  47   8.940   1.417  -6.836
  357   2HD   PRO  47          1HD       PRO  47  10.239   2.558  -6.620
  358    H    SER  48           H        SER  48   5.822   2.857  -8.860
  359    HA   SER  48           HA       SER  48   4.703   4.882 -10.224
  360   1HB   SER  48          1HB       SER  48   3.032   2.643  -9.291
  361   2HB   SER  48          2HB       SER  48   3.065   3.470 -10.841
  362    HG   SER  48           HG       SER  48   4.043   1.613 -11.173
  363    H    GLY  49           H        GLY  49   4.218   4.442  -6.825
  364   1HA   GLY  49          2HA       GLY  49   3.879   6.768  -5.944
  365   2HA   GLY  49          1HA       GLY  49   2.771   5.568  -5.296
  366    H    SER  50           H        SER  50   0.784   5.324  -6.534
  367    HA   SER  50           HA       SER  50  -1.312   6.833  -6.744
  368   1HB   SER  50          1HB       SER  50  -0.314   8.832  -7.630
  369   2HB   SER  50          2HB       SER  50   0.527   7.934  -8.910
  370    HG   SER  50           HG       SER  50  -1.220   7.734 -10.052
  371    H    ASP  51           H        ASP  51   0.915   4.735  -8.724
  372    HA   ASP  51           HA       ASP  51  -1.137   4.212 -10.639
  373   1HB   ASP  51          1HB       ASP  51   1.737   4.999 -11.151
  374   2HB   ASP  51          2HB       ASP  51   0.729   4.130 -12.285
  375    H    LEU  52           H        LEU  52  -0.155   3.130  -7.869
  376    HA   LEU  52           HA       LEU  52  -0.226   0.654  -9.069
  377   1HB   LEU  52          1HB       LEU  52   0.998  -0.260  -6.993
  378   2HB   LEU  52          2HB       LEU  52   1.906   0.239  -8.424
  379    HG   LEU  52           HG       LEU  52   2.943   2.001  -7.336
  380   1HD1  LEU  52          1HD1      LEU  52   1.250   1.570  -4.912
  381   2HD1  LEU  52          2HD1      LEU  52   2.666   2.646  -5.065
  382   3HD1  LEU  52          3HD1      LEU  52   1.190   3.001  -5.989
  383   1HD2  LEU  52          1HD2      LEU  52   3.642  -0.314  -6.837
  384   2HD2  LEU  52          2HD2      LEU  52   3.902   0.785  -5.451
  385   3HD2  LEU  52          3HD2      LEU  52   2.538  -0.343  -5.450
  386    H    ILE  53           H        ILE  53  -2.079   2.738  -8.147
  387    HA   ILE  53           HA       ILE  53  -3.118   1.348  -5.822
  388    HB   ILE  53           HB       ILE  53  -2.357   4.201  -5.907
  389   1HG1  ILE  53          2HG1      ILE  53  -0.793   2.515  -4.772
  390   2HG1  ILE  53          1HG1      ILE  53  -1.574   3.531  -3.625
  391   1HG2  ILE  53          1HG2      ILE  53  -4.631   2.908  -4.359
  392   2HG2  ILE  53          2HG2      ILE  53  -3.848   4.464  -3.923
  393   3HG2  ILE  53          3HG2      ILE  53  -4.650   4.235  -5.487
  394   1HD1  ILE  53          1HD1      ILE  53  -3.220   1.813  -3.190
  395   2HD1  ILE  53          2HD1      ILE  53  -2.176   0.736  -4.157
  396   3HD1  ILE  53          3HD1      ILE  53  -1.503   1.535  -2.735
  397    H    TYR  54           H        TYR  54  -3.703   3.699  -8.551
  398    HA   TYR  54           HA       TYR  54  -6.283   2.213  -8.943
  399   1HB   TYR  54          1HB       TYR  54  -6.025   5.162  -9.457
  400   2HB   TYR  54          2HB       TYR  54  -7.470   4.176  -9.356
  401    HD1  TYR  54           HD1      TYR  54  -7.681   2.908  -6.878
  402    HD2  TYR  54           HD2      TYR  54  -5.360   6.466  -7.576
  403    HE1  TYR  54           HE1      TYR  54  -8.115   3.618  -4.559
  404    HE2  TYR  54           HE2      TYR  54  -5.441   6.917  -5.137
  405    HH   TYR  54           HH       TYR  54  -6.494   6.464  -3.142
  406    H    TYR  55           H        TYR  55  -3.828   4.270 -10.578
  407    HA   TYR  55           HA       TYR  55  -4.882   4.167 -13.151
  408   1HB   TYR  55          1HB       TYR  55  -2.784   5.381 -11.991
  409   2HB   TYR  55          2HB       TYR  55  -1.909   4.137 -12.864
  410    HD1  TYR  55           HD1      TYR  55  -3.208   3.949 -15.513
  411    HD2  TYR  55           HD2      TYR  55  -2.469   7.396 -13.021
  412    HE1  TYR  55           HE1      TYR  55  -3.219   5.385 -17.505
  413    HE2  TYR  55           HE2      TYR  55  -2.456   8.832 -14.993
  414    HH   TYR  55           HH       TYR  55  -2.467   8.870 -17.284
  415    HA   PRO  56           HA       PRO  56  -2.051   0.149 -13.971
  416   1HB   PRO  56          1HB       PRO  56  -2.314  -1.726 -11.975
  417   2HB   PRO  56          2HB       PRO  56  -0.918  -0.625 -12.196
  418   1HG   PRO  56          2HG       PRO  56  -3.403  -0.072 -10.532
  419   2HG   PRO  56          1HG       PRO  56  -1.711  -0.136 -10.001
  420   1HD   PRO  56          1HD       PRO  56  -2.679   2.214 -10.616
  421   2HD   PRO  56          2HD       PRO  56  -1.243   1.766 -11.570
  422    H    LYS  57           H        LYS  57  -3.556  -1.159 -15.283
  423    HA   LYS  57           HA       LYS  57  -5.869  -2.317 -14.057
  424   1HB   LYS  57          1HB       LYS  57  -6.589   0.153 -14.233
  425   2HB   LYS  57          2HB       LYS  57  -6.628  -0.074 -15.952
  426   1HG   LYS  57          1HG       LYS  57  -8.593  -1.174 -15.842
  427   2HG   LYS  57          2HG       LYS  57  -8.008  -2.325 -14.650
  428   1HD   LYS  57          1HD       LYS  57  -8.950   0.466 -13.921
  429   2HD   LYS  57          2HD       LYS  57  -9.965  -0.992 -13.953
  430   1HE   LYS  57          1HE       LYS  57  -9.450  -0.907 -11.719
  431   2HE   LYS  57          2HE       LYS  57  -8.230  -2.026 -12.323
  432   1HZ   LYS  57          1HZ       LYS  57  -7.667   0.858 -11.784
  433   2HZ   LYS  57          2HZ       LYS  57  -7.366  -0.434 -10.800
  434   3HZ   LYS  57          3HZ       LYS  57  -6.614  -0.329 -12.197
  435    H    GLU  58           H        GLU  58  -4.694  -1.207 -16.943
  436    HA   GLU  58           HA       GLU  58  -6.292  -2.915 -18.454
  437   1HB   GLU  58          1HB       GLU  58  -5.731  -0.552 -18.809
  438   2HB   GLU  58          2HB       GLU  58  -4.324  -1.309 -19.602
  439   1HG   GLU  58          1HG       GLU  58  -5.729  -2.274 -21.354
  440   2HG   GLU  58          2HG       GLU  58  -7.190  -1.867 -20.453
  441    H    GLY  59           H        GLY  59  -3.682  -3.489 -17.670
  442   1HA   GLY  59          2HA       GLY  59  -2.137  -5.389 -19.170
  443   2HA   GLY  59          1HA       GLY  59  -3.632  -6.185 -18.606
  444    H    ASP  60           H        ASP  60  -3.632  -4.132 -16.232
  445    HA   ASP  60           HA       ASP  60  -1.258  -5.201 -14.780
  446   1HB   ASP  60          1HB       ASP  60  -1.357  -2.620 -15.698
  447   2HB   ASP  60          2HB       ASP  60  -2.212  -2.439 -14.183
  448    H    ASP  61           H        ASP  61  -1.629  -6.164 -13.323
  449    HA   ASP  61           HA       ASP  61  -4.148  -6.527 -12.027
  450   1HB   ASP  61          1HB       ASP  61  -2.998  -8.516 -12.180
  451   2HB   ASP  61          2HB       ASP  61  -1.709  -7.703 -11.343
  452    H    ASP  62           H        ASP  62  -4.578  -4.413 -11.292
  453    HA   ASP  62           HA       ASP  62  -2.941  -3.231  -9.108
  454   1HB   ASP  62          2HB       ASP  62  -4.491  -1.475  -9.242
  455   2HB   ASP  62          1HB       ASP  62  -4.280  -2.042 -10.878
  456    H    SER  63           H        SER  63  -6.219  -4.440  -9.623
  457    HA   SER  63           HA       SER  63  -7.991  -4.878  -8.216
  458   1HB   SER  63          2HB       SER  63  -6.147  -6.961  -7.016
  459   2HB   SER  63          1HB       SER  63  -7.909  -7.031  -7.175
  460    HG   SER  63           HG       SER  63  -5.958  -7.408  -9.177
  461    HA   PRO  64           HA       PRO  64  -6.286  -3.232  -4.190
  462   1HB   PRO  64          1HB       PRO  64  -6.957  -4.613  -1.958
  463   2HB   PRO  64          2HB       PRO  64  -8.163  -3.794  -3.006
  464   1HG   PRO  64          2HG       PRO  64  -7.451  -6.714  -3.115
  465   2HG   PRO  64          1HG       PRO  64  -9.077  -5.988  -2.851
  466   1HD   PRO  64          1HD       PRO  64  -8.290  -6.626  -5.290
  467   2HD   PRO  64          2HD       PRO  64  -9.135  -5.100  -5.073
  468    H    SER  65           H        SER  65  -5.543  -6.229  -4.964
  469    HA   SER  65           HA       SER  65  -3.262  -6.654  -3.269
  470   1HB   SER  65          1HB       SER  65  -3.740  -8.987  -4.183
  471   2HB   SER  65          2HB       SER  65  -4.941  -8.239  -3.098
  472    HG   SER  65           HG       SER  65  -5.093  -8.584  -5.916
  473    H    GLY  66           H        GLY  66  -3.592  -6.787  -6.688
  474   1HA   GLY  66          2HA       GLY  66  -2.355  -6.884  -8.338
  475   2HA   GLY  66          1HA       GLY  66  -1.158  -7.783  -7.538
  476    H    ILE  67           H        ILE  67  -2.711  -4.503  -6.881
  477    HA   ILE  67           HA       ILE  67  -0.395  -3.170  -7.377
  478    HB   ILE  67           HB       ILE  67  -1.330  -1.462  -5.609
  479   1HG1  ILE  67          1HG1      ILE  67  -3.408  -3.536  -5.290
  480   2HG1  ILE  67          2HG1      ILE  67  -2.464  -2.612  -4.179
  481   1HG2  ILE  67          1HG2      ILE  67  -1.849  -1.539  -8.201
  482   2HG2  ILE  67          2HG2      ILE  67  -3.448  -2.073  -7.558
  483   3HG2  ILE  67          3HG2      ILE  67  -2.867  -0.518  -7.149
  484   1HD1  ILE  67          1HD1      ILE  67  -3.772  -0.541  -4.750
  485   2HD1  ILE  67          2HD1      ILE  67  -4.737  -1.457  -5.909
  486   3HD1  ILE  67          3HD1      ILE  67  -4.842  -1.819  -4.215
  487    H    VAL  68           H        VAL  68  -1.259  -4.494  -4.376
  488    HA   VAL  68           HA       VAL  68   1.029  -3.325  -2.946
  489    HB   VAL  68           HB       VAL  68  -0.521  -5.840  -2.183
  490   1HG1  VAL  68          1HG1      VAL  68   1.461  -4.964  -0.692
  491   2HG1  VAL  68          2HG1      VAL  68   0.509  -3.489  -0.466
  492   3HG1  VAL  68          3HG1      VAL  68  -0.110  -5.024   0.135
  493   1HG2  VAL  68          1HG2      VAL  68  -1.362  -2.973  -2.115
  494   2HG2  VAL  68          2HG2      VAL  68  -2.216  -4.403  -2.716
  495   3HG2  VAL  68          3HG2      VAL  68  -2.053  -4.163  -0.991
  496    H    ASN  69           H        ASN  69   0.197  -5.883  -4.855
  497    HA   ASN  69           HA       ASN  69   2.514  -7.630  -4.874
  498   1HB   ASN  69          1HB       ASN  69   0.170  -7.441  -6.083
  499   2HB   ASN  69          2HB       ASN  69   1.394  -7.983  -7.181
  500   2HD2  ASN  69          2HD2      ASN  69  -0.657  -9.722  -6.691
  501   1HD2  ASN  69          1HD2      ASN  69  -0.315 -10.894  -5.428
  502    H    THR  70           H        THR  70   1.566  -4.769  -6.860
  503    HA   THR  70           HA       THR  70   3.618  -5.137  -8.464
  504    HB   THR  70           HB       THR  70   2.225  -2.573  -7.577
  505    HG1  THR  70           HG1      THR  70   1.311  -3.093  -9.854
  506   1HG2  THR  70          1HG2      THR  70   3.989  -2.763 -10.035
  507   2HG2  THR  70          2HG2      THR  70   2.862  -1.439  -9.660
  508   3HG2  THR  70          3HG2      THR  70   4.246  -1.733  -8.606
  509    H    VAL  71           H        VAL  71   3.274  -3.478  -5.478
  510    HA   VAL  71           HA       VAL  71   5.910  -2.470  -5.082
  511    HB   VAL  71           HB       VAL  71   3.499  -2.802  -3.384
  512   1HG1  VAL  71          1HG1      VAL  71   6.045  -3.434  -1.945
  513   2HG1  VAL  71          2HG1      VAL  71   4.669  -2.566  -1.214
  514   3HG1  VAL  71          3HG1      VAL  71   4.448  -4.185  -1.825
  515   1HG2  VAL  71          1HG2      VAL  71   4.593  -0.861  -4.326
  516   2HG2  VAL  71          2HG2      VAL  71   4.505  -0.761  -2.551
  517   3HG2  VAL  71          3HG2      VAL  71   6.047  -1.207  -3.387
  518    H    LYS  72           H        LYS  72   4.415  -5.426  -4.247
  519    HA   LYS  72           HA       LYS  72   6.579  -6.654  -2.946
  520   1HB   LYS  72          1HB       LYS  72   4.050  -7.444  -3.865
  521   2HB   LYS  72          2HB       LYS  72   5.120  -8.722  -4.449
  522   1HG   LYS  72          1HG       LYS  72   4.704  -9.282  -2.191
  523   2HG   LYS  72          2HG       LYS  72   6.213  -8.378  -2.062
  524   1HD   LYS  72          1HD       LYS  72   5.182  -6.994  -0.743
  525   2HD   LYS  72          2HD       LYS  72   4.467  -6.302  -2.038
  526   1HE   LYS  72          1HE       LYS  72   2.867  -7.302  -0.058
  527   2HE   LYS  72          2HE       LYS  72   2.409  -6.632  -1.602
  528   1HZ   LYS  72          1HZ       LYS  72   2.471  -8.935  -2.522
  529   2HZ   LYS  72          2HZ       LYS  72   2.780  -9.472  -0.970
  530   3HZ   LYS  72          3HZ       LYS  72   1.383  -8.742  -1.302
  531    H    GLN  73           H        GLN  73   6.611  -5.987  -5.928
  532    HA   GLN  73           HA       GLN  73   8.502  -7.828  -6.814
  533   1HB   GLN  73          1HB       GLN  73   6.540  -6.241  -8.473
  534   2HB   GLN  73          2HB       GLN  73   7.742  -7.373  -9.154
  535   1HG   GLN  73          1HG       GLN  73   6.888  -9.093  -7.503
  536   2HG   GLN  73          2HG       GLN  73   5.714  -8.084  -6.998
  537   2HE2  GLN  73          2HE2      GLN  73   3.836  -7.781  -8.091
  538   1HE2  GLN  73          1HE2      GLN  73   3.393  -8.649  -9.565
  539    H    TRP  74           H        TRP  74   7.883  -4.384  -6.802
  540    HA   TRP  74           HA       TRP  74  10.495  -3.548  -7.735
  541   1HB   TRP  74          1HB       TRP  74   8.528  -2.022  -7.716
  542   2HB   TRP  74          2HB       TRP  74   9.024  -1.855  -6.001
  543    HD1  TRP  74           HD1      TRP  74  10.421  -1.322  -9.457
  544    HE1  TRP  74           HE1      TRP  74  12.380   0.330  -9.401
  545    HE3  TRP  74           HE3      TRP  74  10.426  -0.460  -4.480
  546    HZ2  TRP  74           HZ2      TRP  74  13.541   2.102  -7.416
  547    HZ3  TRP  74           HZ3      TRP  74  11.699   1.336  -3.598
  548    HH2  TRP  74           HH2      TRP  74  13.271   2.712  -5.018
  549    H    ARG  75           H        ARG  75   8.837  -3.538  -4.578
  550    HA   ARG  75           HA       ARG  75  11.164  -3.300  -2.996
  551   1HB   ARG  75          1HB       ARG  75   8.294  -4.443  -2.452
  552   2HB   ARG  75          2HB       ARG  75   9.404  -4.389  -1.194
  553   1HG   ARG  75          1HG       ARG  75   9.386  -1.739  -2.461
  554   2HG   ARG  75          2HG       ARG  75   7.759  -2.239  -2.183
  555   1HD   ARG  75          1HD       ARG  75   7.909  -2.020   0.081
  556   2HD   ARG  75          2HD       ARG  75   9.504  -2.769   0.130
  557    HE   ARG  75           HE       ARG  75   9.261  -0.071  -0.953
  558   1HH1  ARG  75          1HH1      ARG  75  10.138  -1.778   2.052
  559   2HH1  ARG  75          2HH1      ARG  75  11.039  -0.399   2.649
  560   1HH2  ARG  75          1HH2      ARG  75  10.501   1.561  -0.189
  561   2HH2  ARG  75          2HH2      ARG  75  11.512   1.463   1.182
  562    H    ALA  76           H        ALA  76  10.250  -5.925  -4.723
  563    HA   ALA  76           HA       ALA  76  11.772  -7.646  -2.865
  564   1HB   ALA  76          1HB       ALA  76   9.993  -8.508  -5.163
  565   2HB   ALA  76          3HB       ALA  76  10.887  -9.633  -4.129
  566   3HB   ALA  76          2HB       ALA  76   9.609  -8.635  -3.414
  567    H    ALA  77           H        ALA  77  11.842  -6.249  -5.849
  568    HA   ALA  77           HA       ALA  77  14.192  -7.856  -6.690
  569   1HB   ALA  77          1HB       ALA  77  12.395  -7.327  -8.406
  570   2HB   ALA  77          3HB       ALA  77  12.690  -5.596  -8.138
  571   3HB   ALA  77          2HB       ALA  77  13.952  -6.591  -8.883
  572    H    ASN  78           H        ASN  78  13.286  -4.742  -5.820
  573    HA   ASN  78           HA       ASN  78  15.925  -3.612  -5.719
  574   1HB   ASN  78          1HB       ASN  78  13.388  -2.608  -6.194
  575   2HB   ASN  78          2HB       ASN  78  13.378  -2.536  -4.502
  576   2HD2  ASN  78          2HD2      ASN  78  14.971  -1.396  -7.495
  577   1HD2  ASN  78          1HD2      ASN  78  15.803  -0.025  -6.766
  578    H    GLY  79           H        GLY  79  13.990  -5.580  -4.135
  579   1HA   GLY  79          2HA       GLY  79  15.968  -6.314  -2.202
  580   2HA   GLY  79          1HA       GLY  79  14.311  -6.950  -2.220
  581    H    LYS  80           H        LYS  80  13.291  -4.233  -2.100
  582    HA   LYS  80           HA       LYS  80  14.351  -2.443  -0.470
  583   1HB   LYS  80          1HB       LYS  80  11.520  -2.805  -0.319
  584   2HB   LYS  80          2HB       LYS  80  12.459  -1.367   0.183
  585   1HG   LYS  80          1HG       LYS  80  12.807  -2.532  -2.519
  586   2HG   LYS  80          2HG       LYS  80  11.510  -1.524  -2.244
  587   1HD   LYS  80          1HD       LYS  80  14.143  -1.072  -2.108
  588   2HD   LYS  80          2HD       LYS  80  13.144  -0.693  -3.385
  589   1HE   LYS  80          1HE       LYS  80  11.916   0.862  -2.022
  590   2HE   LYS  80          2HE       LYS  80  12.746   0.515  -0.724
  591   1HZ   LYS  80          1HZ       LYS  80  14.858   1.357  -1.754
  592   2HZ   LYS  80          2HZ       LYS  80  13.942   1.929  -3.002
  593   3HZ   LYS  80          3HZ       LYS  80  13.783   2.511  -1.463
  594    H    SER  81           H        SER  81  12.218  -4.778   0.600
  595    HA   SER  81           HA       SER  81  12.529  -5.063   3.528
  596   1HB   SER  81          2HB       SER  81  10.394  -4.207   4.098
  597   2HB   SER  81          1HB       SER  81  11.424  -2.974   3.487
  598    HG   SER  81           HG       SER  81   9.400  -4.363   2.017
  599    H    GLY  82           H        GLY  82  10.620  -5.898   4.213
  600   1HA   GLY  82          2HA       GLY  82  10.682  -8.498   3.730
  601   2HA   GLY  82          1HA       GLY  82   9.243  -8.035   2.754
  602    H    PHE  83           H        PHE  83   8.732  -5.877   4.698
  603    HA   PHE  83           HA       PHE  83   7.735  -5.279   6.490
  604   1HB   PHE  83          2HB       PHE  83   6.153  -7.703   5.596
  605   2HB   PHE  83          1HB       PHE  83   5.700  -6.275   6.565
  606    HD1  PHE  83           HD1      PHE  83   7.027  -7.123   3.244
  607    HD2  PHE  83           HD2      PHE  83   4.254  -4.855   5.582
  608    HE1  PHE  83           HE1      PHE  83   6.422  -5.972   1.291
  609    HE2  PHE  83           HE2      PHE  83   3.494  -3.773   3.717
  610    HZ   PHE  83           HZ       PHE  83   4.500  -4.230   1.327
  611    H    LYS  84           H        LYS  84   6.456  -7.975   7.181
  612    HA   LYS  84           HA       LYS  84   7.497  -8.940   9.551
  613   1HB   LYS  84          1HB       LYS  84   6.995  -6.561   9.789
  614   2HB   LYS  84          2HB       LYS  84   5.425  -7.091   9.477
  615   1HG   LYS  84          1HG       LYS  84   5.340  -8.519  11.447
  616   2HG   LYS  84          2HG       LYS  84   7.098  -8.553  11.587
  617   1HD   LYS  84          1HD       LYS  84   7.213  -6.703  12.824
  618   2HD   LYS  84          2HD       LYS  84   6.098  -5.835  11.758
  619   1HE   LYS  84          1HE       LYS  84   4.869  -5.917  13.713
  620   2HE   LYS  84          2HE       LYS  84   4.218  -7.196  12.683
  621   1HZ   LYS  84          1HZ       LYS  84   5.614  -8.793  13.882
  622   2HZ   LYS  84          2HZ       LYS  84   5.991  -7.628  15.014
  623   3HZ   LYS  84          3HZ       LYS  84   4.452  -8.229  14.743
  624    H    GLN  85           H        GLN  85   5.944 -10.337  10.280
  625    HA   GLN  85           HA       GLN  85   4.379 -11.757   8.227
  626   1HB   GLN  85          1HB       GLN  85   6.440 -12.570   9.435
  627   2HB   GLN  85          2HB       GLN  85   5.101 -13.722   9.583
  628   1HG   GLN  85          1HG       GLN  85   6.333 -12.518   7.064
  629   2HG   GLN  85          2HG       GLN  85   6.701 -14.133   7.681
  630   2HE2  GLN  85          2HE2      GLN  85   4.480 -12.297   5.690
  631   1HE2  GLN  85          1HE2      GLN  85   3.379 -13.637   5.420
  632    H    GLY  86           H        GLY  86   5.045 -11.533  11.615
  633   1HA   GLY  86          2HA       GLY  86   2.956 -12.300  13.118
  634   2HA   GLY  86          1HA       GLY  86   2.422 -10.785  12.328

  No H/Q in entry =         634
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -6.555   5.048  11.085
    2    H2   MET   1           H2       MET   1  -5.049   4.919  10.473
    3    H3   MET   1           H3       MET   1  -6.329   5.149   9.453
    4    HA   MET   1           HA       MET   1  -7.231   3.007  10.085
    5   1HB   MET   1          1HB       MET   1  -5.348   3.419   8.286
    6   2HB   MET   1          2HB       MET   1  -4.327   2.477   9.338
    7   1HG   MET   1          1HG       MET   1  -7.026   1.608   8.247
    8   2HG   MET   1          2HG       MET   1  -5.466   1.185   7.536
    9   1HE   MET   1          1HE       MET   1  -6.578  -1.275   7.523
   10   2HE   MET   1          2HE       MET   1  -7.020  -2.158   9.003
   11   3HE   MET   1          3HE       MET   1  -7.977  -0.755   8.482
   12    H    GLU   2           H        GLU   2  -4.603   1.223  11.050
   13    HA   GLU   2           HA       GLU   2  -3.896   2.850  13.415
   14   1HB   GLU   2          1HB       GLU   2  -2.583   0.440  12.129
   15   2HB   GLU   2          2HB       GLU   2  -1.740   1.542  13.234
   16   1HG   GLU   2          1HG       GLU   2  -3.564   1.071  14.938
   17   2HG   GLU   2          2HG       GLU   2  -4.114  -0.236  13.879
   18    H    LEU   3           H        LEU   3  -1.438   1.911  11.053
   19    HA   LEU   3           HA       LEU   3  -1.402   2.941   8.795
   20   1HB   LEU   3          1HB       LEU   3  -1.091   5.122  10.855
   21   2HB   LEU   3          2HB       LEU   3   0.081   5.018   9.567
   22    HG   LEU   3           HG       LEU   3  -2.855   4.846   8.889
   23   1HD1  LEU   3          1HD1      LEU   3  -2.574   6.950  10.184
   24   2HD1  LEU   3          2HD1      LEU   3  -1.253   7.440   9.096
   25   3HD1  LEU   3          3HD1      LEU   3  -2.917   7.271   8.481
   26   1HD2  LEU   3          1HD2      LEU   3  -0.298   5.628   7.491
   27   2HD2  LEU   3          2HD2      LEU   3  -1.444   4.332   7.032
   28   3HD2  LEU   3          3HD2      LEU   3  -1.818   6.055   6.778
   29    H    LYS   4           H        LYS   4   1.378   4.041  10.136
   30    HA   LYS   4           HA       LYS   4   2.510   2.271  11.886
   31   1HB   LYS   4          1HB       LYS   4   2.408   0.935   9.332
   32   2HB   LYS   4          2HB       LYS   4   3.978   1.410   9.632
   33   1HG   LYS   4          2HG       LYS   4   3.677  -0.756  10.664
   34   2HG   LYS   4          1HG       LYS   4   3.858   0.470  11.946
   35   1HD   LYS   4          1HD       LYS   4   1.435   0.450  12.307
   36   2HD   LYS   4          2HD       LYS   4   1.295  -0.831  11.094
   37   1HE   LYS   4          1HE       LYS   4   2.992  -2.018  12.691
   38   2HE   LYS   4          2HE       LYS   4   2.427  -0.837  13.872
   39   1HZ   LYS   4          1HZ       LYS   4   0.140  -1.685  13.422
   40   2HZ   LYS   4          2HZ       LYS   4   0.768  -2.885  12.466
   41   3HZ   LYS   4          3HZ       LYS   4   1.117  -2.820  14.044
   42    H    HIS   5           H        HIS   5   4.848   2.212  11.205
   43    HA   HIS   5           HA       HIS   5   5.848   4.908  10.911
   44   1HB   HIS   5          2HB       HIS   5   7.350   3.002  12.651
   45   2HB   HIS   5          1HB       HIS   5   7.031   4.694  12.861
   46    HD1  HIS   5           HD1      HIS   5   4.548   5.201  14.182
   47    HD2  HIS   5           HD2      HIS   5   5.610   1.287  13.253
   48    HE1  HIS   5           HE1      HIS   5   2.753   3.722  15.269
   49    H    SER   6           H        SER   6   6.198   1.697  10.321
   50    HA   SER   6           HA       SER   6   8.031   2.090   8.276
   51   1HB   SER   6          2HB       SER   6   8.130  -0.463   9.662
   52   2HB   SER   6          1HB       SER   6   9.101   0.664   8.887
   53    HG   SER   6           HG       SER   6   8.570   0.681  11.655
   54    H    ILE   7           H        ILE   7   7.763   0.660   6.638
   55    HA   ILE   7           HA       ILE   7   5.311  -0.668   6.238
   56    HB   ILE   7           HB       ILE   7   7.027   0.214   4.582
   57   1HG1  ILE   7          1HG1      ILE   7   5.831  -2.542   4.177
   58   2HG1  ILE   7          2HG1      ILE   7   5.116  -0.969   3.775
   59   1HG2  ILE   7          1HG2      ILE   7   8.997  -1.055   5.665
   60   2HG2  ILE   7          2HG2      ILE   7   8.346  -2.494   4.842
   61   3HG2  ILE   7          3HG2      ILE   7   8.875  -1.056   3.917
   62   1HD1  ILE   7          1HD1      ILE   7   7.153  -0.680   2.276
   63   2HD1  ILE   7          2HD1      ILE   7   7.423  -2.428   2.542
   64   3HD1  ILE   7          3HD1      ILE   7   5.908  -1.876   1.783
   65    H    SER   8           H        SER   8   7.669  -1.441   8.423
   66    HA   SER   8           HA       SER   8   7.525  -4.270   8.186
   67   1HB   SER   8          1HB       SER   8   9.409  -4.179   7.740
   68   2HB   SER   8          2HB       SER   8   9.364  -2.529   7.737
   69    HG   SER   8           HG       SER   8   9.988  -4.020  10.060
   70    H    ASP   9           H        ASP   9   6.688  -1.593  10.211
   71    HA   ASP   9           HA       ASP   9   6.648  -3.377  12.522
   72   1HB   ASP   9          1HB       ASP   9   5.628  -0.581  11.772
   73   2HB   ASP   9          2HB       ASP   9   4.939  -1.315  13.200
   74    H    TYR  10           H        TYR  10   5.097  -3.230   9.570
   75    HA   TYR  10           HA       TYR  10   2.822  -4.668  10.784
   76   1HB   TYR  10          1HB       TYR  10   1.253  -3.758   9.286
   77   2HB   TYR  10          2HB       TYR  10   2.014  -2.578  10.245
   78    HD1  TYR  10           HD1      TYR  10   3.793  -3.649   7.166
   79    HD2  TYR  10           HD2      TYR  10   0.822  -0.979   8.796
   80    HE1  TYR  10           HE1      TYR  10   3.945  -2.310   5.186
   81    HE2  TYR  10           HE2      TYR  10   1.098   0.451   6.813
   82    HH   TYR  10           HH       TYR  10   2.646   0.993   5.157
   83    H    THR  11           H        THR  11   2.001  -6.454   9.332
   84    HA   THR  11           HA       THR  11   4.237  -7.643   7.797
   85    HB   THR  11           HB       THR  11   3.482  -9.561   8.210
   86    HG1  THR  11           HG1      THR  11   1.506 -10.383   7.911
   87   1HG2  THR  11          1HG2      THR  11   3.131  -8.587  10.386
   88   2HG2  THR  11          2HG2      THR  11   1.381  -8.450  10.008
   89   3HG2  THR  11          3HG2      THR  11   2.150 -10.013  10.099
   90    H    GLU  12           H        GLU  12   3.539  -8.795   5.683
   91    HA   GLU  12           HA       GLU  12   2.757  -6.713   3.898
   92   1HB   GLU  12          1HB       GLU  12   4.185  -9.093   3.729
   93   2HB   GLU  12          2HB       GLU  12   2.651  -9.570   2.976
   94   1HG   GLU  12          1HG       GLU  12   2.895  -7.309   1.654
   95   2HG   GLU  12          2HG       GLU  12   4.480  -7.278   2.260
   96    H    ALA  13           H        ALA  13   0.861  -8.953   5.602
   97    HA   ALA  13           HA       ALA  13  -1.498  -8.702   3.762
   98   1HB   ALA  13          1HB       ALA  13  -1.104 -10.947   4.765
   99   2HB   ALA  13          3HB       ALA  13  -1.172 -10.227   6.394
  100   3HB   ALA  13          2HB       ALA  13  -2.614 -10.222   5.357
  101    H    GLU  14           H        GLU  14  -0.093  -7.603   6.754
  102    HA   GLU  14           HA       GLU  14  -2.264  -6.267   7.911
  103   1HB   GLU  14          1HB       GLU  14   0.391  -6.834   8.494
  104   2HB   GLU  14          2HB       GLU  14   0.530  -5.170   8.002
  105   1HG   GLU  14          1HG       GLU  14  -0.964  -4.376   9.564
  106   2HG   GLU  14          2HG       GLU  14  -1.510  -6.036  10.006
  107    H    PHE  15           H        PHE  15   0.110  -5.322   5.533
  108    HA   PHE  15           HA       PHE  15  -0.939  -2.622   5.065
  109   1HB   PHE  15          1HB       PHE  15   1.405  -3.398   4.908
  110   2HB   PHE  15          2HB       PHE  15   0.981  -4.464   3.591
  111    HD1  PHE  15           HD1      PHE  15   0.146  -0.803   4.182
  112    HD2  PHE  15           HD2      PHE  15   1.971  -3.753   1.640
  113    HE1  PHE  15           HE1      PHE  15   0.995   0.992   2.712
  114    HE2  PHE  15           HE2      PHE  15   2.890  -1.925   0.199
  115    HZ   PHE  15           HZ       PHE  15   2.506   0.430   0.818
  116    H    LEU  16           H        LEU  16  -1.308  -5.898   3.663
  117    HA   LEU  16           HA       LEU  16  -2.321  -4.947   1.140
  118   1HB   LEU  16          1HB       LEU  16  -1.538  -7.219   1.569
  119   2HB   LEU  16          2HB       LEU  16  -2.888  -7.501   2.670
  120    HG   LEU  16           HG       LEU  16  -4.466  -7.633   1.034
  121   1HD1  LEU  16          1HD1      LEU  16  -3.863  -5.592  -0.322
  122   2HD1  LEU  16          2HD1      LEU  16  -2.589  -6.552  -1.099
  123   3HD1  LEU  16          3HD1      LEU  16  -4.344  -6.977  -1.214
  124   1HD2  LEU  16          1HD2      LEU  16  -2.762  -9.532   0.831
  125   2HD2  LEU  16          2HD2      LEU  16  -3.485  -9.189  -0.747
  126   3HD2  LEU  16          3HD2      LEU  16  -1.845  -8.599  -0.364
  127    H    GLN  17           H        GLN  17  -3.715  -5.521   4.278
  128    HA   GLN  17           HA       GLN  17  -6.291  -5.209   3.704
  129   1HB   GLN  17          1HB       GLN  17  -5.712  -6.279   5.757
  130   2HB   GLN  17          2HB       GLN  17  -4.389  -5.141   6.025
  131   1HG   GLN  17          1HG       GLN  17  -5.970  -3.423   6.729
  132   2HG   GLN  17          2HG       GLN  17  -7.274  -4.633   6.612
  133   2HE2  GLN  17          2HE2      GLN  17  -3.969  -4.106   8.071
  134   1HE2  GLN  17          1HE2      GLN  17  -4.400  -4.868   9.602
  135    H    LEU  18           H        LEU  18  -3.619  -3.087   4.358
  136    HA   LEU  18           HA       LEU  18  -5.153  -0.818   5.139
  137   1HB   LEU  18          1HB       LEU  18  -2.775  -1.319   5.722
  138   2HB   LEU  18          2HB       LEU  18  -2.278  -0.942   4.072
  139    HG   LEU  18           HG       LEU  18  -3.721   1.063   5.780
  140   1HD1  LEU  18          1HD1      LEU  18  -1.733   0.240   7.019
  141   2HD1  LEU  18          2HD1      LEU  18  -0.728   0.720   5.632
  142   3HD1  LEU  18          3HD1      LEU  18  -1.620   1.940   6.562
  143   1HD2  LEU  18          1HD2      LEU  18  -1.820   1.318   3.388
  144   2HD2  LEU  18          2HD2      LEU  18  -3.544   1.734   3.414
  145   3HD2  LEU  18          3HD2      LEU  18  -2.399   2.696   4.335
  146    H    VAL  19           H        VAL  19  -3.756  -2.065   2.229
  147    HA   VAL  19           HA       VAL  19  -4.197   0.070   0.132
  148    HB   VAL  19           HB       VAL  19  -3.770  -2.882   0.130
  149   1HG1  VAL  19          1HG1      VAL  19  -4.227  -0.836  -2.083
  150   2HG1  VAL  19          2HG1      VAL  19  -3.624  -2.483  -2.287
  151   3HG1  VAL  19          3HG1      VAL  19  -5.249  -2.257  -1.732
  152   1HG2  VAL  19          1HG2      VAL  19  -2.094  -0.664   0.601
  153   2HG2  VAL  19          2HG2      VAL  19  -1.579  -2.219   0.037
  154   3HG2  VAL  19          3HG2      VAL  19  -1.975  -0.916  -1.135
  155    H    THR  20           H        THR  20  -5.986  -2.704   1.785
  156    HA   THR  20           HA       THR  20  -8.240  -2.511   0.018
  157    HB   THR  20           HB       THR  20  -7.115  -4.567   1.460
  158    HG1  THR  20           HG1      THR  20  -9.674  -4.388   0.306
  159   1HG2  THR  20          1HG2      THR  20  -8.351  -4.058   3.560
  160   2HG2  THR  20          2HG2      THR  20  -9.851  -4.266   2.674
  161   3HG2  THR  20          3HG2      THR  20  -8.676  -5.611   2.835
  162    H    THR  21           H        THR  21  -7.505  -1.136   3.243
  163    HA   THR  21           HA       THR  21 -10.079   0.000   3.767
  164    HB   THR  21           HB       THR  21  -7.193   0.450   4.460
  165    HG1  THR  21           HG1      THR  21  -9.368  -0.199   6.151
  166   1HG2  THR  21          1HG2      THR  21  -9.259   2.493   5.322
  167   2HG2  THR  21          2HG2      THR  21  -7.714   2.223   6.086
  168   3HG2  THR  21          3HG2      THR  21  -7.812   2.746   4.390
  169    H    ILE  22           H        ILE  22  -7.554   0.779   1.409
  170    HA   ILE  22           HA       ILE  22  -8.572   3.418   0.848
  171    HB   ILE  22           HB       ILE  22  -6.650   1.909  -0.951
  172   1HG1  ILE  22          1HG1      ILE  22  -6.214   3.013   1.787
  173   2HG1  ILE  22          2HG1      ILE  22  -5.488   1.647   0.926
  174   1HG2  ILE  22          1HG2      ILE  22  -7.720   4.051  -1.766
  175   2HG2  ILE  22          2HG2      ILE  22  -6.836   4.891  -0.476
  176   3HG2  ILE  22          3HG2      ILE  22  -5.967   4.013  -1.747
  177   1HD1  ILE  22          1HD1      ILE  22  -4.155   3.256  -0.405
  178   2HD1  ILE  22          2HD1      ILE  22  -4.831   4.525   0.671
  179   3HD1  ILE  22          3HD1      ILE  22  -3.823   3.215   1.345
  180    H    CYS  23           H        CYS  23  -8.304   0.306  -0.785
  181    HA   CYS  23           HA       CYS  23 -10.377   0.787  -2.728
  182   1HB   CYS  23          1HB       CYS  23  -9.509  -1.976  -1.717
  183   2HB   CYS  23          2HB       CYS  23 -10.314  -1.529  -3.210
  184    H    ASN  24           H        ASN  24 -10.516   0.748   0.685
  185    HA   ASN  24           HA       ASN  24 -13.470   0.565   0.043
  186   1HB   ASN  24          1HB       ASN  24 -12.382  -1.489   1.397
  187   2HB   ASN  24          2HB       ASN  24 -12.845  -0.463   2.750
  188   2HD2  ASN  24          2HD2      ASN  24 -14.094  -1.368  -0.509
  189   1HD2  ASN  24          1HD2      ASN  24 -15.708  -1.839   0.059
  190    H    ALA  25           H        ALA  25 -11.435   2.786   1.318
  191    HA   ALA  25           HA       ALA  25 -11.824   4.887   2.192
  192   1HB   ALA  25          1HB       ALA  25 -14.781   4.340   1.497
  193   2HB   ALA  25          3HB       ALA  25 -14.015   5.915   1.725
  194   3HB   ALA  25          2HB       ALA  25 -13.590   4.907   0.314
  195    H    ASP  26           H        ASP  26 -11.958   2.508   3.697
  196    HA   ASP  26           HA       ASP  26 -13.644   2.386   6.004
  197   1HB   ASP  26          1HB       ASP  26 -12.520   0.761   4.723
  198   2HB   ASP  26          2HB       ASP  26 -10.977   1.444   5.166
  199    H    THR  27           H        THR  27 -12.789   4.526   5.649
  200    HA   THR  27           HA       THR  27 -10.624   5.557   7.444
  201    HB   THR  27           HB       THR  27 -10.351   7.267   5.832
  202    HG1  THR  27           HG1      THR  27 -12.617   6.202   4.586
  203   1HG2  THR  27          1HG2      THR  27  -9.389   4.889   5.666
  204   2HG2  THR  27          2HG2      THR  27 -10.397   4.777   4.202
  205   3HG2  THR  27          3HG2      THR  27  -9.145   6.037   4.374
  206    H    SER  28           H        SER  28 -10.621   8.101   7.526
  207    HA   SER  28           HA       SER  28 -12.602   8.918   9.312
  208   1HB   SER  28          1HB       SER  28 -11.653  11.211   8.749
  209   2HB   SER  28          2HB       SER  28 -10.448   9.987   9.248
  210    HG   SER  28           HG       SER  28  -9.755  11.168   7.428
  211    H    SER  29           H        SER  29 -12.385   8.846   5.975
  212    HA   SER  29           HA       SER  29 -14.381   9.090   4.566
  213   1HB   SER  29          1HB       SER  29 -15.560  11.238   4.493
  214   2HB   SER  29          2HB       SER  29 -16.032  10.114   5.785
  215    HG   SER  29           HG       SER  29 -14.834  11.391   7.202
  216    H    GLU  30           H        GLU  30 -12.858   9.039   3.201
  217    HA   GLU  30           HA       GLU  30 -12.066   9.589   1.584
  218   1HB   GLU  30          1HB       GLU  30 -14.098  11.126   1.581
  219   2HB   GLU  30          2HB       GLU  30 -12.991  12.486   1.784
  220   1HG   GLU  30          1HG       GLU  30 -12.032  12.073  -0.435
  221   2HG   GLU  30          2HG       GLU  30 -12.955  10.571  -0.590
  222    H    GLU  31           H        GLU  31 -10.845  11.130   3.999
  223    HA   GLU  31           HA       GLU  31  -8.618  12.463   3.044
  224   1HB   GLU  31          1HB       GLU  31 -10.463  13.011   4.517
  225   2HB   GLU  31          2HB       GLU  31  -9.738  11.891   5.377
  226   1HG   GLU  31          1HG       GLU  31  -7.767  13.788   4.722
  227   2HG   GLU  31          2HG       GLU  31  -9.167  14.538   5.556
  228    H    GLU  32           H        GLU  32  -9.129  10.482   5.457
  229    HA   GLU  32           HA       GLU  32  -6.602   9.182   6.033
  230   1HB   GLU  32          1HB       GLU  32  -9.242   8.562   6.298
  231   2HB   GLU  32          2HB       GLU  32  -8.149   7.104   6.235
  232   1HG   GLU  32          1HG       GLU  32  -7.843   9.605   7.775
  233   2HG   GLU  32          2HG       GLU  32  -8.773   8.330   8.453
  234    H    LEU  33           H        LEU  33  -8.892   9.014   3.260
  235    HA   LEU  33           HA       LEU  33  -7.686   6.679   2.118
  236   1HB   LEU  33          1HB       LEU  33  -9.532   8.900   1.276
  237   2HB   LEU  33          2HB       LEU  33  -8.848   7.917  -0.013
  238    HG   LEU  33           HG       LEU  33  -9.840   6.530   2.498
  239   1HD1  LEU  33          1HD1      LEU  33 -11.458   8.061   0.394
  240   2HD1  LEU  33          2HD1      LEU  33 -11.997   6.464   0.669
  241   3HD1  LEU  33          3HD1      LEU  33 -11.945   7.550   2.064
  242   1HD2  LEU  33          1HD2      LEU  33  -8.611   5.441   0.612
  243   2HD2  LEU  33          2HD2      LEU  33 -10.240   4.775   0.790
  244   3HD2  LEU  33          3HD2      LEU  33  -9.882   5.899  -0.523
  245    H    VAL  34           H        VAL  34  -7.319  10.121   1.408
  246    HA   VAL  34           HA       VAL  34  -5.257   9.975  -0.569
  247    HB   VAL  34           HB       VAL  34  -6.195  11.981   1.266
  248   1HG1  VAL  34          1HG1      VAL  34  -4.141  12.406  -0.935
  249   2HG1  VAL  34          2HG1      VAL  34  -4.982  13.729  -0.091
  250   3HG1  VAL  34          3HG1      VAL  34  -3.885  12.672   0.801
  251   1HG2  VAL  34          1HG2      VAL  34  -7.770  11.387  -0.473
  252   2HG2  VAL  34          2HG2      VAL  34  -7.176  13.031  -0.724
  253   3HG2  VAL  34          3HG2      VAL  34  -6.525  11.691  -1.710
  254    H    LYS  35           H        LYS  35  -5.423   9.630   2.872
  255    HA   LYS  35           HA       LYS  35  -2.630  10.316   3.540
  256   1HB   LYS  35          1HB       LYS  35  -4.520  11.074   4.699
  257   2HB   LYS  35          2HB       LYS  35  -4.999   9.371   4.965
  258   1HG   LYS  35          1HG       LYS  35  -2.956   8.935   6.147
  259   2HG   LYS  35          2HG       LYS  35  -2.522  10.695   5.943
  260   1HD   LYS  35          2HD       LYS  35  -4.637   9.304   7.278
  261   2HD   LYS  35          1HD       LYS  35  -3.317  10.362   7.974
  262   1HE   LYS  35          1HE       LYS  35  -4.550  12.364   7.141
  263   2HE   LYS  35          2HE       LYS  35  -5.735  11.317   6.364
  264   1HZ   LYS  35          1HZ       LYS  35  -6.180  10.462   8.694
  265   2HZ   LYS  35          2HZ       LYS  35  -5.471  11.861   9.201
  266   3HZ   LYS  35          3HZ       LYS  35  -6.780  11.953   8.208
  267    H    LEU  36           H        LEU  36  -4.836   7.280   3.497
  268    HA   LEU  36           HA       LEU  36  -2.793   5.515   4.202
  269   1HB   LEU  36          1HB       LEU  36  -5.561   5.636   2.889
  270   2HB   LEU  36          2HB       LEU  36  -4.782   4.123   3.080
  271    HG   LEU  36           HG       LEU  36  -6.316   5.400   4.818
  272   1HD1  LEU  36          1HD1      LEU  36  -5.668   2.850   4.567
  273   2HD1  LEU  36          2HD1      LEU  36  -4.329   3.219   5.650
  274   3HD1  LEU  36          3HD1      LEU  36  -5.990   3.414   6.220
  275   1HD2  LEU  36          1HD2      LEU  36  -4.647   6.794   5.915
  276   2HD2  LEU  36          2HD2      LEU  36  -5.238   5.549   6.995
  277   3HD2  LEU  36          3HD2      LEU  36  -3.674   5.337   6.224
  278    H    VAL  37           H        VAL  37  -3.968   6.979   1.176
  279    HA   VAL  37           HA       VAL  37  -2.430   5.450  -0.628
  280    HB   VAL  37           HB       VAL  37  -3.701   8.178  -0.590
  281   1HG1  VAL  37          1HG1      VAL  37  -1.864   7.386  -2.852
  282   2HG1  VAL  37          2HG1      VAL  37  -3.076   8.696  -2.900
  283   3HG1  VAL  37          3HG1      VAL  37  -1.722   8.808  -1.786
  284   1HG2  VAL  37          1HG2      VAL  37  -4.993   6.146  -1.128
  285   2HG2  VAL  37          2HG2      VAL  37  -5.018   7.369  -2.400
  286   3HG2  VAL  37          3HG2      VAL  37  -3.984   5.922  -2.571
  287    H    THR  38           H        THR  38  -1.710   8.468   1.144
  288    HA   THR  38           HA       THR  38   0.807   8.821  -0.062
  289    HB   THR  38           HB       THR  38  -0.851  10.202   1.442
  290    HG1  THR  38           HG1      THR  38   1.572  10.858   0.226
  291   1HG2  THR  38          1HG2      THR  38   0.392   9.852   3.544
  292   2HG2  THR  38          2HG2      THR  38   1.890  10.381   2.752
  293   3HG2  THR  38          3HG2      THR  38   0.569  11.537   3.020
  294    H    HIS  39           H        HIS  39  -0.270   7.347   2.969
  295    HA   HIS  39           HA       HIS  39   2.261   6.829   4.134
  296   1HB   HIS  39          1HB       HIS  39   0.217   6.715   5.368
  297   2HB   HIS  39          2HB       HIS  39  -0.323   5.453   4.270
  298    HD1  HIS  39           HD1      HIS  39   2.748   5.907   6.602
  299    HD2  HIS  39           HD2      HIS  39  -0.089   3.069   5.261
  300    HE1  HIS  39           HE1      HIS  39   3.024   3.834   8.069
  301    H    PHE  40           H        PHE  40   0.258   5.149   1.599
  302    HA   PHE  40           HA       PHE  40   1.997   2.785   1.583
  303   1HB   PHE  40          1HB       PHE  40  -0.256   2.924   0.449
  304   2HB   PHE  40          2HB       PHE  40   0.468   3.958  -0.768
  305    HD1  PHE  40           HD1      PHE  40   2.798   2.945  -1.863
  306    HD2  PHE  40           HD2      PHE  40  -0.351   0.675  -0.015
  307    HE1  PHE  40           HE1      PHE  40   3.253   1.116  -3.364
  308    HE2  PHE  40           HE2      PHE  40   0.140  -1.242  -1.574
  309    HZ   PHE  40           HZ       PHE  40   1.865  -0.976  -3.315
  310    H    GLU  41           H        GLU  41   1.829   5.776  -0.251
  311    HA   GLU  41           HA       GLU  41   4.156   5.686  -1.631
  312   1HB   GLU  41          1HB       GLU  41   2.873   8.106  -1.077
  313   2HB   GLU  41          2HB       GLU  41   4.111   7.705  -2.324
  314   1HG   GLU  41          2HG       GLU  41   1.384   6.755  -1.948
  315   2HG   GLU  41          1HG       GLU  41   2.194   7.511  -3.354
  316    H    GLU  42           H        GLU  42   3.854   6.367   1.703
  317    HA   GLU  42           HA       GLU  42   6.320   7.627   2.252
  318   1HB   GLU  42          1HB       GLU  42   4.165   7.940   3.388
  319   2HB   GLU  42          2HB       GLU  42   4.653   6.350   3.923
  320   1HG   GLU  42          1HG       GLU  42   6.731   7.653   4.848
  321   2HG   GLU  42          2HG       GLU  42   5.483   8.944   4.824
  322    H    MET  43           H        MET  43   4.837   4.572   2.581
  323    HA   MET  43           HA       MET  43   6.617   3.410   4.343
  324   1HB   MET  43          1HB       MET  43   4.335   2.429   2.651
  325   2HB   MET  43          2HB       MET  43   5.241   1.306   3.628
  326   1HG   MET  43          1HG       MET  43   4.314   3.886   4.738
  327   2HG   MET  43          2HG       MET  43   3.227   2.493   4.609
  328   1HE   MET  43          1HE       MET  43   5.003   4.667   6.705
  329   2HE   MET  43          2HE       MET  43   5.806   3.780   7.994
  330   3HE   MET  43          3HE       MET  43   6.603   3.952   6.422
  331    H    THR  44           H        THR  44   6.040   2.851   0.940
  332    HA   THR  44           HA       THR  44   8.121   0.856   1.084
  333    HB   THR  44           HB       THR  44   6.177  -0.080   0.257
  334    HG1  THR  44           HG1      THR  44   8.091   0.436  -1.669
  335   1HG2  THR  44          1HG2      THR  44   5.856   2.516  -1.145
  336   2HG2  THR  44          2HG2      THR  44   5.333   1.118  -2.059
  337   3HG2  THR  44          3HG2      THR  44   4.670   1.397  -0.440
  338    H    GLU  45           H        GLU  45   8.045   4.109   0.361
  339    HA   GLU  45           HA       GLU  45   9.173   5.560  -0.983
  340   1HB   GLU  45          1HB       GLU  45  10.754   4.758   0.728
  341   2HB   GLU  45          2HB       GLU  45  11.352   3.604  -0.440
  342   1HG   GLU  45          1HG       GLU  45  11.459   6.250  -1.634
  343   2HG   GLU  45          2HG       GLU  45  12.111   6.362  -0.005
  344    H    HIS  46           H        HIS  46   7.540   4.494  -2.624
  345    HA   HIS  46           HA       HIS  46   8.956   2.923  -4.678
  346   1HB   HIS  46          1HB       HIS  46   7.241   1.750  -3.431
  347   2HB   HIS  46          2HB       HIS  46   6.061   3.025  -3.770
  348    HD1  HIS  46           HD1      HIS  46   5.065   3.107  -6.235
  349    HD2  HIS  46           HD2      HIS  46   7.683  -0.103  -5.449
  350    HE1  HIS  46           HE1      HIS  46   5.056   1.543  -8.301
  351    HA   PRO  47           HA       PRO  47   8.284   6.085  -7.707
  352   1HB   PRO  47          2HB       PRO  47   7.591   4.120  -9.808
  353   2HB   PRO  47          1HB       PRO  47   8.984   5.211  -9.677
  354   1HG   PRO  47          1HG       PRO  47   8.996   2.364  -9.176
  355   2HG   PRO  47          2HG       PRO  47  10.265   3.490  -8.737
  356   1HD   PRO  47          2HD       PRO  47   8.232   2.155  -7.209
  357   2HD   PRO  47          1HD       PRO  47   9.710   2.886  -6.671
  358    H    SER  48           H        SER  48   5.908   3.504  -8.360
  359    HA   SER  48           HA       SER  48   4.356   5.334  -9.829
  360   1HB   SER  48          1HB       SER  48   3.527   2.530  -9.446
  361   2HB   SER  48          2HB       SER  48   3.436   3.548 -10.872
  362    HG   SER  48           HG       SER  48   5.045   2.080 -11.165
  363    H    GLY  49           H        GLY  49   4.037   5.585  -6.844
  364   1HA   GLY  49          2HA       GLY  49   2.263   6.552  -5.569
  365   2HA   GLY  49          1HA       GLY  49   2.025   4.812  -5.508
  366    H    SER  50           H        SER  50   1.127   7.416  -7.775
  367    HA   SER  50           HA       SER  50  -1.718   7.130  -7.322
  368   1HB   SER  50          1HB       SER  50  -1.689   8.589  -9.508
  369   2HB   SER  50          2HB       SER  50  -1.050   9.247  -7.996
  370    HG   SER  50           HG       SER  50   0.429   8.152 -10.178
  371    H    ASP  51           H        ASP  51   0.237   4.814  -8.777
  372    HA   ASP  51           HA       ASP  51  -1.394   4.110 -11.001
  373   1HB   ASP  51          1HB       ASP  51   1.584   4.818 -10.998
  374   2HB   ASP  51          2HB       ASP  51   0.755   4.008 -12.274
  375    H    LEU  52           H        LEU  52   0.076   3.220  -7.775
  376    HA   LEU  52           HA       LEU  52  -0.406   0.624  -8.904
  377   1HB   LEU  52          1HB       LEU  52   0.986  -0.253  -7.059
  378   2HB   LEU  52          2HB       LEU  52   1.837   0.381  -8.472
  379    HG   LEU  52           HG       LEU  52   2.859   2.075  -7.314
  380   1HD1  LEU  52          1HD1      LEU  52   1.123   1.455  -4.908
  381   2HD1  LEU  52          2HD1      LEU  52   2.473   2.618  -4.976
  382   3HD1  LEU  52          3HD1      LEU  52   1.014   2.904  -5.918
  383   1HD2  LEU  52          1HD2      LEU  52   3.638  -0.247  -6.935
  384   2HD2  LEU  52          2HD2      LEU  52   3.868   0.773  -5.490
  385   3HD2  LEU  52          3HD2      LEU  52   2.541  -0.390  -5.541
  386    H    ILE  53           H        ILE  53  -1.923   2.911  -7.794
  387    HA   ILE  53           HA       ILE  53  -3.160   1.161  -5.813
  388    HB   ILE  53           HB       ILE  53  -2.816   4.099  -5.787
  389   1HG1  ILE  53          1HG1      ILE  53  -0.936   2.541  -4.869
  390   2HG1  ILE  53          2HG1      ILE  53  -1.734   3.443  -3.634
  391   1HG2  ILE  53          1HG2      ILE  53  -4.675   2.301  -4.165
  392   2HG2  ILE  53          2HG2      ILE  53  -4.248   4.003  -3.766
  393   3HG2  ILE  53          3HG2      ILE  53  -5.083   3.567  -5.271
  394   1HD1  ILE  53          1HD1      ILE  53  -3.017   1.669  -2.976
  395   2HD1  ILE  53          2HD1      ILE  53  -2.281   0.630  -4.223
  396   3HD1  ILE  53          3HD1      ILE  53  -1.229   1.357  -3.019
  397    H    TYR  54           H        TYR  54  -3.375   2.652  -8.935
  398    HA   TYR  54           HA       TYR  54  -6.157   1.662  -9.253
  399   1HB   TYR  54          2HB       TYR  54  -5.251   4.450  -9.786
  400   2HB   TYR  54          1HB       TYR  54  -6.891   3.771  -9.890
  401    HD1  TYR  54           HD1      TYR  54  -7.432   2.702  -7.161
  402    HD2  TYR  54           HD2      TYR  54  -4.753   5.922  -8.075
  403    HE1  TYR  54           HE1      TYR  54  -8.042   3.763  -5.039
  404    HE2  TYR  54           HE2      TYR  54  -5.018   6.716  -5.752
  405    HH   TYR  54           HH       TYR  54  -6.221   6.526  -3.776
  406    H    TYR  55           H        TYR  55  -3.516   3.617 -10.864
  407    HA   TYR  55           HA       TYR  55  -4.618   3.155 -13.485
  408   1HB   TYR  55          1HB       TYR  55  -3.071   5.130 -12.471
  409   2HB   TYR  55          2HB       TYR  55  -1.832   4.135 -13.230
  410    HD1  TYR  55           HD1      TYR  55  -4.861   6.189 -13.803
  411    HD2  TYR  55           HD2      TYR  55  -1.749   3.878 -15.665
  412    HE1  TYR  55           HE1      TYR  55  -5.573   7.037 -16.035
  413    HE2  TYR  55           HE2      TYR  55  -2.454   4.670 -17.886
  414    HH   TYR  55           HH       TYR  55  -4.143   5.758 -19.031
  415    HA   PRO  56           HA       PRO  56  -1.469  -0.380 -13.946
  416   1HB   PRO  56          1HB       PRO  56  -2.271  -2.279 -11.978
  417   2HB   PRO  56          2HB       PRO  56  -0.652  -1.565 -12.225
  418   1HG   PRO  56          1HG       PRO  56  -2.405  -0.965 -10.005
  419   2HG   PRO  56          2HG       PRO  56  -0.882  -0.177 -10.542
  420   1HD   PRO  56          1HD       PRO  56  -3.668   0.506 -10.967
  421   2HD   PRO  56          2HD       PRO  56  -2.266   1.584 -10.655
  422    H    LYS  57           H        LYS  57  -2.663  -2.480 -14.719
  423    HA   LYS  57           HA       LYS  57  -4.831  -3.761 -14.388
  424   1HB   LYS  57          1HB       LYS  57  -6.053  -2.121 -13.663
  425   2HB   LYS  57          2HB       LYS  57  -5.984  -1.140 -15.167
  426   1HG   LYS  57          1HG       LYS  57  -7.546  -2.546 -16.193
  427   2HG   LYS  57          2HG       LYS  57  -7.237  -3.885 -15.055
  428   1HD   LYS  57          1HD       LYS  57  -9.356  -2.612 -14.608
  429   2HD   LYS  57          2HD       LYS  57  -8.268  -2.809 -13.247
  430   1HE   LYS  57          1HE       LYS  57  -8.298  -0.227 -14.873
  431   2HE   LYS  57          2HE       LYS  57  -9.450  -0.508 -13.556
  432   1HZ   LYS  57          1HZ       LYS  57  -7.561  -0.759 -12.029
  433   2HZ   LYS  57          2HZ       LYS  57  -6.502  -0.452 -13.192
  434   3HZ   LYS  57          3HZ       LYS  57  -7.497   0.716 -12.709
  435    H    GLU  58           H        GLU  58  -3.170  -2.045 -16.661
  436    HA   GLU  58           HA       GLU  58  -4.566  -3.254 -18.845
  437   1HB   GLU  58          1HB       GLU  58  -4.343  -0.854 -18.364
  438   2HB   GLU  58          2HB       GLU  58  -2.744  -1.161 -19.103
  439   1HG   GLU  58          1HG       GLU  58  -3.755  -1.774 -21.225
  440   2HG   GLU  58          2HG       GLU  58  -5.357  -1.835 -20.481
  441    H    GLY  59           H        GLY  59  -2.119  -3.831 -17.650
  442   1HA   GLY  59          2HA       GLY  59  -0.023  -5.055 -19.123
  443   2HA   GLY  59          1HA       GLY  59  -1.454  -6.129 -19.154
  444    H    ASP  60           H        ASP  60  -2.315  -4.718 -16.339
  445    HA   ASP  60           HA       ASP  60  -0.434  -6.119 -14.595
  446   1HB   ASP  60          1HB       ASP  60   0.088  -3.489 -15.240
  447   2HB   ASP  60          2HB       ASP  60  -1.168  -3.248 -14.055
  448    H    ASP  61           H        ASP  61  -1.132  -5.615 -12.538
  449    HA   ASP  61           HA       ASP  61  -3.953  -6.369 -12.303
  450   1HB   ASP  61          1HB       ASP  61  -2.885  -8.358 -12.164
  451   2HB   ASP  61          2HB       ASP  61  -1.829  -7.618 -10.989
  452    H    ASP  62           H        ASP  62  -4.751  -4.283 -11.436
  453    HA   ASP  62           HA       ASP  62  -3.334  -3.093  -9.052
  454   1HB   ASP  62          2HB       ASP  62  -4.732  -1.186  -9.533
  455   2HB   ASP  62          1HB       ASP  62  -4.267  -1.742 -11.139
  456    H    SER  63           H        SER  63  -5.389  -5.748  -9.465
  457    HA   SER  63           HA       SER  63  -7.703  -5.091  -7.962
  458   1HB   SER  63          1HB       SER  63  -6.058  -7.629  -7.601
  459   2HB   SER  63          2HB       SER  63  -7.763  -7.425  -7.227
  460    HG   SER  63           HG       SER  63  -6.442  -7.572  -9.708
  461    HA   PRO  64           HA       PRO  64  -6.325  -3.508  -4.262
  462   1HB   PRO  64          2HB       PRO  64  -7.772  -5.648  -2.688
  463   2HB   PRO  64          1HB       PRO  64  -7.662  -3.900  -2.408
  464   1HG   PRO  64          1HG       PRO  64  -9.830  -4.863  -3.716
  465   2HG   PRO  64          2HG       PRO  64  -8.982  -3.454  -4.451
  466   1HD   PRO  64          2HD       PRO  64  -8.583  -6.388  -5.013
  467   2HD   PRO  64          1HD       PRO  64  -8.877  -5.110  -6.227
  468    H    SER  65           H        SER  65  -5.590  -6.588  -4.659
  469    HA   SER  65           HA       SER  65  -3.309  -7.096  -2.937
  470   1HB   SER  65          1HB       SER  65  -3.726  -9.338  -4.007
  471   2HB   SER  65          2HB       SER  65  -5.010  -8.734  -2.903
  472    HG   SER  65           HG       SER  65  -5.033  -8.965  -5.733
  473    H    GLY  66           H        GLY  66  -3.884  -6.962  -6.378
  474   1HA   GLY  66          2HA       GLY  66  -2.752  -7.062  -8.115
  475   2HA   GLY  66          1HA       GLY  66  -1.489  -7.925  -7.348
  476    H    ILE  67           H        ILE  67  -3.044  -4.760  -6.397
  477    HA   ILE  67           HA       ILE  67  -0.826  -3.359  -7.270
  478    HB   ILE  67           HB       ILE  67  -1.632  -1.595  -5.485
  479   1HG1  ILE  67          1HG1      ILE  67  -3.699  -3.657  -5.066
  480   2HG1  ILE  67          2HG1      ILE  67  -2.727  -2.685  -4.091
  481   1HG2  ILE  67          1HG2      ILE  67  -2.078  -1.659  -8.011
  482   2HG2  ILE  67          2HG2      ILE  67  -3.750  -2.101  -7.450
  483   3HG2  ILE  67          3HG2      ILE  67  -3.063  -0.600  -6.981
  484   1HD1  ILE  67          1HD1      ILE  67  -4.057  -0.636  -4.661
  485   2HD1  ILE  67          2HD1      ILE  67  -5.071  -1.611  -5.749
  486   3HD1  ILE  67          3HD1      ILE  67  -5.118  -1.888  -4.033
  487    H    VAL  68           H        VAL  68  -1.535  -4.584  -4.181
  488    HA   VAL  68           HA       VAL  68   0.762  -3.382  -2.795
  489    HB   VAL  68           HB       VAL  68  -0.727  -5.965  -2.116
  490   1HG1  VAL  68          1HG1      VAL  68   1.299  -5.046  -0.642
  491   2HG1  VAL  68          2HG1      VAL  68   0.283  -3.635  -0.361
  492   3HG1  VAL  68          3HG1      VAL  68  -0.257  -5.212   0.219
  493   1HG2  VAL  68          1HG2      VAL  68  -1.564  -3.113  -1.982
  494   2HG2  VAL  68          2HG2      VAL  68  -2.458  -4.554  -2.498
  495   3HG2  VAL  68          3HG2      VAL  68  -2.171  -4.265  -0.786
  496    H    ASN  69           H        ASN  69  -0.077  -5.976  -4.686
  497    HA   ASN  69           HA       ASN  69   2.319  -7.612  -4.956
  498   1HB   ASN  69          1HB       ASN  69  -0.080  -7.484  -6.053
  499   2HB   ASN  69          2HB       ASN  69   1.106  -7.993  -7.194
  500   2HD2  ASN  69          2HD2      ASN  69  -0.812  -9.819  -6.646
  501   1HD2  ASN  69          1HD2      ASN  69  -0.411 -10.960  -5.368
  502    H    THR  70           H        THR  70   1.206  -4.622  -6.704
  503    HA   THR  70           HA       THR  70   3.175  -4.999  -8.479
  504    HB   THR  70           HB       THR  70   1.953  -2.371  -7.516
  505    HG1  THR  70           HG1      THR  70   1.109  -3.824  -9.805
  506   1HG2  THR  70          1HG2      THR  70   3.316  -2.827 -10.183
  507   2HG2  THR  70          2HG2      THR  70   2.333  -1.414  -9.759
  508   3HG2  THR  70          3HG2      THR  70   3.831  -1.728  -8.873
  509    H    VAL  71           H        VAL  71   2.945  -3.392  -5.444
  510    HA   VAL  71           HA       VAL  71   5.579  -2.279  -5.177
  511    HB   VAL  71           HB       VAL  71   3.300  -2.609  -3.329
  512   1HG1  VAL  71          1HG1      VAL  71   5.876  -3.537  -2.081
  513   2HG1  VAL  71          2HG1      VAL  71   4.662  -2.602  -1.209
  514   3HG1  VAL  71          3HG1      VAL  71   4.207  -4.135  -1.859
  515   1HG2  VAL  71          1HG2      VAL  71   4.525  -0.668  -4.145
  516   2HG2  VAL  71          2HG2      VAL  71   4.436  -0.773  -2.370
  517   3HG2  VAL  71          3HG2      VAL  71   5.949  -1.207  -3.238
  518    H    LYS  72           H        LYS  72   4.147  -5.274  -4.374
  519    HA   LYS  72           HA       LYS  72   6.363  -6.432  -3.124
  520   1HB   LYS  72          1HB       LYS  72   3.860  -7.360  -3.986
  521   2HB   LYS  72          2HB       LYS  72   4.976  -8.617  -4.523
  522   1HG   LYS  72          1HG       LYS  72   4.619  -9.094  -2.191
  523   2HG   LYS  72          2HG       LYS  72   6.077  -8.128  -2.173
  524   1HD   LYS  72          2HD       LYS  72   4.959  -6.681  -0.911
  525   2HD   LYS  72          1HD       LYS  72   4.245  -6.139  -2.222
  526   1HE   LYS  72          2HE       LYS  72   2.674  -7.188  -0.197
  527   2HE   LYS  72          1HE       LYS  72   2.197  -6.475  -1.715
  528   1HZ   LYS  72          1HZ       LYS  72   2.294  -8.746  -2.703
  529   2HZ   LYS  72          2HZ       LYS  72   2.690  -9.306  -1.179
  530   3HZ   LYS  72          3HZ       LYS  72   1.233  -8.631  -1.455
  531    H    GLN  73           H        GLN  73   6.315  -5.786  -6.111
  532    HA   GLN  73           HA       GLN  73   8.268  -7.562  -6.989
  533   1HB   GLN  73          2HB       GLN  73   6.285  -6.052  -8.698
  534   2HB   GLN  73          1HB       GLN  73   7.500  -7.195  -9.337
  535   1HG   GLN  73          1HG       GLN  73   6.621  -8.896  -7.662
  536   2HG   GLN  73          2HG       GLN  73   5.476  -7.843  -7.169
  537   2HE2  GLN  73          2HE2      GLN  73   3.564  -7.719  -8.114
  538   1HE2  GLN  73          1HE2      GLN  73   3.085  -8.568  -9.590
  539    H    TRP  74           H        TRP  74   7.494  -4.137  -7.223
  540    HA   TRP  74           HA       TRP  74  10.066  -3.035  -7.997
  541   1HB   TRP  74          1HB       TRP  74   7.906  -1.889  -8.107
  542   2HB   TRP  74          2HB       TRP  74   8.132  -1.728  -6.375
  543    HD1  TRP  74           HD1      TRP  74   9.509  -0.839  -9.696
  544    HE1  TRP  74           HE1      TRP  74  11.424   0.863  -9.708
  545    HE3  TRP  74           HE3      TRP  74   9.736  -0.029  -4.698
  546    HZ2  TRP  74           HZ2      TRP  74  12.757   2.499  -7.766
  547    HZ3  TRP  74           HZ3      TRP  74  10.929   1.889  -3.945
  548    HH2  TRP  74           HH2      TRP  74  12.544   3.149  -5.376
  549    H    ARG  75           H        ARG  75   8.427  -3.099  -4.858
  550    HA   ARG  75           HA       ARG  75  10.681  -2.729  -3.195
  551   1HB   ARG  75          1HB       ARG  75   7.963  -2.699  -2.769
  552   2HB   ARG  75          2HB       ARG  75   8.178  -4.420  -2.539
  553   1HG   ARG  75          1HG       ARG  75  10.106  -3.343  -0.852
  554   2HG   ARG  75          2HG       ARG  75   8.756  -2.209  -0.700
  555   1HD   ARG  75          2HD       ARG  75   8.426  -3.824   0.932
  556   2HD   ARG  75          1HD       ARG  75   7.333  -4.311  -0.374
  557    HE   ARG  75           HE       ARG  75  10.084  -5.443  -0.149
  558   1HH1  ARG  75          1HH1      ARG  75   6.657  -6.191  -0.212
  559   2HH1  ARG  75          2HH1      ARG  75   6.808  -7.864   0.127
  560   1HH2  ARG  75          1HH2      ARG  75  10.384  -7.594   0.333
  561   2HH2  ARG  75          2HH2      ARG  75   9.060  -8.737   0.191
  562    H    ALA  76           H        ALA  76   9.929  -5.465  -5.002
  563    HA   ALA  76           HA       ALA  76  11.509  -7.071  -3.086
  564   1HB   ALA  76          1HB       ALA  76   9.803  -8.173  -5.314
  565   2HB   ALA  76          3HB       ALA  76  10.770  -9.149  -4.200
  566   3HB   ALA  76          2HB       ALA  76   9.412  -8.212  -3.556
  567    H    ALA  77           H        ALA  77  11.529  -5.698  -6.081
  568    HA   ALA  77           HA       ALA  77  13.969  -7.186  -6.811
  569   1HB   ALA  77          1HB       ALA  77  12.221  -6.693  -8.613
  570   2HB   ALA  77          3HB       ALA  77  12.405  -4.963  -8.274
  571   3HB   ALA  77          2HB       ALA  77  13.750  -5.854  -9.007
  572    H    ASN  78           H        ASN  78  12.940  -4.083  -5.953
  573    HA   ASN  78           HA       ASN  78  15.575  -3.009  -5.654
  574   1HB   ASN  78          1HB       ASN  78  13.132  -1.951  -6.172
  575   2HB   ASN  78          2HB       ASN  78  12.922  -2.120  -4.489
  576   2HD2  ASN  78          2HD2      ASN  78  15.588  -1.312  -3.460
  577   1HD2  ASN  78          1HD2      ASN  78  15.942   0.298  -4.080
  578    H    GLY  79           H        GLY  79  13.525  -4.977  -4.216
  579   1HA   GLY  79          2HA       GLY  79  15.279  -5.870  -2.129
  580   2HA   GLY  79          1HA       GLY  79  13.572  -6.333  -2.235
  581    H    LYS  80           H        LYS  80  12.771  -3.575  -2.233
  582    HA   LYS  80           HA       LYS  80  13.849  -1.761  -0.690
  583   1HB   LYS  80          1HB       LYS  80  11.047  -1.725  -0.143
  584   2HB   LYS  80          2HB       LYS  80  12.196  -0.456   0.018
  585   1HG   LYS  80          1HG       LYS  80  12.229  -1.854  -2.566
  586   2HG   LYS  80          2HG       LYS  80  10.863  -0.950  -2.299
  587   1HD   LYS  80          1HD       LYS  80  13.451  -0.268  -2.223
  588   2HD   LYS  80          2HD       LYS  80  12.546  -0.083  -3.605
  589   1HE   LYS  80          1HE       LYS  80  11.095   1.483  -2.340
  590   2HE   LYS  80          2HE       LYS  80  11.994   1.329  -1.022
  591   1HZ   LYS  80          1HZ       LYS  80  13.474   2.316  -3.356
  592   2HZ   LYS  80          2HZ       LYS  80  12.348   3.302  -2.732
  593   3HZ   LYS  80          3HZ       LYS  80  13.550   2.892  -1.785
  594    H    SER  81           H        SER  81  11.892  -4.108   0.639
  595    HA   SER  81           HA       SER  81  12.188  -4.104   3.576
  596   1HB   SER  81          1HB       SER  81   9.691  -3.472   3.575
  597   2HB   SER  81          2HB       SER  81  10.960  -2.256   3.719
  598    HG   SER  81           HG       SER  81   9.717  -1.397   2.231
  599    H    GLY  82           H        GLY  82  10.398  -5.230   4.314
  600   1HA   GLY  82          2HA       GLY  82  11.200  -7.642   4.104
  601   2HA   GLY  82          1HA       GLY  82   9.804  -7.764   2.956
  602    H    PHE  83           H        PHE  83   8.631  -5.623   4.797
  603    HA   PHE  83           HA       PHE  83   7.469  -5.232   6.539
  604   1HB   PHE  83          1HB       PHE  83   6.322  -7.767   5.392
  605   2HB   PHE  83          2HB       PHE  83   5.622  -6.586   6.501
  606    HD1  PHE  83           HD1      PHE  83   7.034  -6.691   3.219
  607    HD2  PHE  83           HD2      PHE  83   3.994  -5.140   5.770
  608    HE1  PHE  83           HE1      PHE  83   6.314  -5.251   1.427
  609    HE2  PHE  83           HE2      PHE  83   3.144  -3.915   4.051
  610    HZ   PHE  83           HZ       PHE  83   4.151  -3.906   1.629
  611    H    LYS  84           H        LYS  84   6.540  -8.078   7.103
  612    HA   LYS  84           HA       LYS  84   7.436  -8.976   9.620
  613   1HB   LYS  84          1HB       LYS  84   6.456  -6.751   9.898
  614   2HB   LYS  84          2HB       LYS  84   5.015  -7.614   9.495
  615   1HG   LYS  84          1HG       LYS  84   5.104  -9.169  11.273
  616   2HG   LYS  84          2HG       LYS  84   6.788  -8.732  11.608
  617   1HD   LYS  84          1HD       LYS  84   5.603  -7.678  13.243
  618   2HD   LYS  84          2HD       LYS  84   6.071  -6.436  12.047
  619   1HE   LYS  84          1HE       LYS  84   3.920  -5.811  12.725
  620   2HE   LYS  84          2HE       LYS  84   3.723  -6.549  11.144
  621   1HZ   LYS  84          1HZ       LYS  84   3.070  -8.603  12.575
  622   2HZ   LYS  84          2HZ       LYS  84   2.855  -7.499  13.755
  623   3HZ   LYS  84          3HZ       LYS  84   2.028  -7.325  12.332
  624    H    GLN  85           H        GLN  85   6.180 -10.691  10.007
  625    HA   GLN  85           HA       GLN  85   5.118 -12.158   7.775
  626   1HB   GLN  85          1HB       GLN  85   5.316 -14.029   9.416
  627   2HB   GLN  85          2HB       GLN  85   6.632 -13.382   8.509
  628   1HG   GLN  85          1HG       GLN  85   7.766 -12.505  10.032
  629   2HG   GLN  85          2HG       GLN  85   6.385 -12.080  11.054
  630   2HE2  GLN  85          2HE2      GLN  85   5.871 -13.296  12.847
  631   1HE2  GLN  85          1HE2      GLN  85   6.620 -14.857  13.187
  632    H    GLY  86           H        GLY  86   4.822 -12.247  10.798
  633   1HA   GLY  86          2HA       GLY  86   2.682 -13.196  12.028
  634   2HA   GLY  86          1HA       GLY  86   1.995 -11.659  11.384

  No H/Q in entry =         634
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -3.806  -0.691   9.977
    2    H2   MET   1           H2       MET   1  -2.176  -0.578  10.244
    3    H3   MET   1           H3       MET   1  -2.856  -2.046  10.115
    4    HA   MET   1           HA       MET   1  -4.106  -1.778  12.080
    5   1HB   MET   1          1HB       MET   1  -2.319  -1.591  13.750
    6   2HB   MET   1          2HB       MET   1  -2.159  -2.802  12.478
    7   1HG   MET   1          1HG       MET   1  -0.542  -1.314  11.313
    8   2HG   MET   1          2HG       MET   1  -0.661  -0.167  12.628
    9   1HE   MET   1          1HE       MET   1   0.756  -3.447  11.337
   10   2HE   MET   1          2HE       MET   1   1.153  -4.456  12.752
   11   3HE   MET   1          3HE       MET   1  -0.543  -4.202  12.291
   12    H    GLU   2           H        GLU   2  -2.155   0.435  13.789
   13    HA   GLU   2           HA       GLU   2  -3.901   2.711  13.625
   14   1HB   GLU   2          2HB       GLU   2  -0.889   2.869  13.617
   15   2HB   GLU   2          1HB       GLU   2  -2.064   3.983  14.306
   16   1HG   GLU   2          1HG       GLU   2  -1.352   3.118  16.256
   17   2HG   GLU   2          2HG       GLU   2  -2.463   1.784  15.908
   18    H    LEU   3           H        LEU   3  -1.103   1.482  11.721
   19    HA   LEU   3           HA       LEU   3  -1.333   1.680   9.190
   20   1HB   LEU   3          1HB       LEU   3  -0.963   4.327  10.494
   21   2HB   LEU   3          2HB       LEU   3  -0.049   3.900   9.058
   22    HG   LEU   3           HG       LEU   3  -3.072   3.467   8.974
   23   1HD1  LEU   3          1HD1      LEU   3  -2.516   5.720   9.773
   24   2HD1  LEU   3          2HD1      LEU   3  -1.516   5.961   8.301
   25   3HD1  LEU   3          3HD1      LEU   3  -3.309   5.675   8.207
   26   1HD2  LEU   3          1HD2      LEU   3  -1.097   2.687   7.255
   27   2HD2  LEU   3          2HD2      LEU   3  -2.800   2.871   6.957
   28   3HD2  LEU   3          3HD2      LEU   3  -1.719   4.212   6.547
   29    H    LYS   4           H        LYS   4   1.009   3.621  10.475
   30    HA   LYS   4           HA       LYS   4   2.838   2.222  12.083
   31   1HB   LYS   4          1HB       LYS   4   2.624   0.867   9.521
   32   2HB   LYS   4          2HB       LYS   4   4.092   1.662   9.628
   33   1HG   LYS   4          1HG       LYS   4   4.190  -0.527  10.735
   34   2HG   LYS   4          2HG       LYS   4   4.523   0.828  11.824
   35   1HD   LYS   4          1HD       LYS   4   1.870   0.472  12.405
   36   2HD   LYS   4          2HD       LYS   4   2.278  -1.138  11.854
   37   1HE   LYS   4          1HE       LYS   4   3.465  -1.587  13.750
   38   2HE   LYS   4          2HE       LYS   4   4.104   0.040  13.874
   39   1HZ   LYS   4          1HZ       LYS   4   1.336  -0.625  14.665
   40   2HZ   LYS   4          2HZ       LYS   4   2.649  -0.491  15.668
   41   3HZ   LYS   4          3HZ       LYS   4   2.061   0.790  14.870
   42    H    HIS   5           H        HIS   5   5.033   2.560  11.238
   43    HA   HIS   5           HA       HIS   5   5.544   5.396  10.786
   44   1HB   HIS   5          2HB       HIS   5   7.487   3.831  12.413
   45   2HB   HIS   5          1HB       HIS   5   6.851   5.418  12.657
   46    HD1  HIS   5           HD1      HIS   5   4.298   5.351  14.060
   47    HD2  HIS   5           HD2      HIS   5   6.335   1.770  13.292
   48    HE1  HIS   5           HE1      HIS   5   3.013   3.527  15.323
   49    H    SER   6           H        SER   6   6.293   2.254  10.239
   50    HA   SER   6           HA       SER   6   8.019   2.725   8.049
   51   1HB   SER   6          1HB       SER   6   8.601   0.293   9.184
   52   2HB   SER   6          2HB       SER   6   9.469   1.851   9.176
   53    HG   SER   6           HG       SER   6   8.956   2.238  11.201
   54    H    ILE   7           H        ILE   7   7.672   1.512   6.499
   55    HA   ILE   7           HA       ILE   7   5.609  -0.206   5.818
   56    HB   ILE   7           HB       ILE   7   6.948   0.810   4.195
   57   1HG1  ILE   7          1HG1      ILE   7   8.240  -0.803   2.930
   58   2HG1  ILE   7          2HG1      ILE   7   8.065  -2.006   4.196
   59   1HG2  ILE   7          1HG2      ILE   7   9.498  -0.266   5.468
   60   2HG2  ILE   7          2HG2      ILE   7   9.422   0.644   3.946
   61   3HG2  ILE   7          3HG2      ILE   7   8.978   1.453   5.403
   62   1HD1  ILE   7          1HD1      ILE   7   5.589  -0.716   3.055
   63   2HD1  ILE   7          2HD1      ILE   7   6.501  -1.850   2.023
   64   3HD1  ILE   7          3HD1      ILE   7   5.922  -2.388   3.593
   65    H    SER   8           H        SER   8   7.849  -0.788   8.242
   66    HA   SER   8           HA       SER   8   8.003  -3.628   7.825
   67   1HB   SER   8          1HB       SER   8  10.053  -3.241   7.889
   68   2HB   SER   8          2HB       SER   8   9.621  -1.728   7.294
   69    HG   SER   8           HG       SER   8  10.307  -2.242   9.986
   70    H    ASP   9           H        ASP   9   6.955  -1.085   9.912
   71    HA   ASP   9           HA       ASP   9   7.126  -3.063  12.112
   72   1HB   ASP   9          1HB       ASP   9   6.873  -0.304  12.637
   73   2HB   ASP   9          2HB       ASP   9   5.299  -0.850  12.615
   74    H    TYR  10           H        TYR  10   5.477  -2.644   9.265
   75    HA   TYR  10           HA       TYR  10   3.224  -4.220  10.407
   76   1HB   TYR  10          1HB       TYR  10   1.598  -3.293   9.097
   77   2HB   TYR  10          2HB       TYR  10   2.408  -1.974   9.854
   78    HD1  TYR  10           HD1      TYR  10   4.374  -3.055   6.959
   79    HD2  TYR  10           HD2      TYR  10   0.877  -0.793   8.137
   80    HE1  TYR  10           HE1      TYR  10   4.420  -1.960   4.892
   81    HE2  TYR  10           HE2      TYR  10   1.070   0.483   5.999
   82    HH   TYR  10           HH       TYR  10   2.233   0.285   3.691
   83    H    THR  11           H        THR  11   2.180  -5.516   8.530
   84    HA   THR  11           HA       THR  11   4.446  -7.108   7.348
   85    HB   THR  11           HB       THR  11   3.515  -8.894   8.197
   86    HG1  THR  11           HG1      THR  11   1.369  -9.464   8.210
   87   1HG2  THR  11          1HG2      THR  11   3.337  -7.598  10.279
   88   2HG2  THR  11          2HG2      THR  11   1.674  -7.131   9.858
   89   3HG2  THR  11          3HG2      THR  11   2.066  -8.805  10.187
   90    H    GLU  12           H        GLU  12   3.431  -8.468   5.465
   91    HA   GLU  12           HA       GLU  12   2.511  -6.482   3.536
   92   1HB   GLU  12          1HB       GLU  12   3.560  -9.270   3.519
   93   2HB   GLU  12          2HB       GLU  12   2.328  -8.994   2.274
   94   1HG   GLU  12          1HG       GLU  12   3.510  -7.198   1.306
   95   2HG   GLU  12          2HG       GLU  12   4.383  -6.877   2.635
   96    H    ALA  13           H        ALA  13   0.825  -8.553   5.608
   97    HA   ALA  13           HA       ALA  13  -1.625  -8.653   3.877
   98   1HB   ALA  13          1HB       ALA  13  -1.085 -10.737   5.137
   99   2HB   ALA  13          3HB       ALA  13  -1.096  -9.814   6.662
  100   3HB   ALA  13          2HB       ALA  13  -2.589  -9.992   5.718
  101    H    GLU  14           H        GLU  14  -0.183  -7.261   6.748
  102    HA   GLU  14           HA       GLU  14  -2.095  -5.585   7.820
  103   1HB   GLU  14          1HB       GLU  14   0.646  -6.008   7.912
  104   2HB   GLU  14          2HB       GLU  14   0.498  -4.315   7.530
  105   1HG   GLU  14          1HG       GLU  14  -1.190  -5.875   9.632
  106   2HG   GLU  14          2HG       GLU  14   0.216  -5.014   9.947
  107    H    PHE  15           H        PHE  15   0.174  -4.927   5.231
  108    HA   PHE  15           HA       PHE  15  -0.971  -2.334   4.651
  109   1HB   PHE  15          1HB       PHE  15   1.447  -3.049   4.470
  110   2HB   PHE  15          2HB       PHE  15   1.011  -3.999   3.063
  111    HD1  PHE  15           HD1      PHE  15  -0.302  -0.503   3.803
  112    HD2  PHE  15           HD2      PHE  15   2.319  -2.972   1.445
  113    HE1  PHE  15           HE1      PHE  15   0.470   1.491   2.569
  114    HE2  PHE  15           HE2      PHE  15   3.186  -0.943   0.288
  115    HZ   PHE  15           HZ       PHE  15   2.335   1.268   0.916
  116    H    LEU  16           H        LEU  16  -1.408  -5.646   3.507
  117    HA   LEU  16           HA       LEU  16  -2.492  -4.854   0.942
  118   1HB   LEU  16          1HB       LEU  16  -1.600  -7.045   1.466
  119   2HB   LEU  16          2HB       LEU  16  -2.925  -7.339   2.594
  120    HG   LEU  16           HG       LEU  16  -4.435  -7.769   0.936
  121   1HD1  LEU  16          1HD1      LEU  16  -4.123  -5.622  -0.400
  122   2HD1  LEU  16          2HD1      LEU  16  -2.807  -6.435  -1.242
  123   3HD1  LEU  16          3HD1      LEU  16  -4.491  -7.049  -1.291
  124   1HD2  LEU  16          1HD2      LEU  16  -2.503  -9.407   0.701
  125   2HD2  LEU  16          2HD2      LEU  16  -3.315  -9.164  -0.852
  126   3HD2  LEU  16          3HD2      LEU  16  -1.757  -8.362  -0.526
  127    H    GLN  17           H        GLN  17  -3.740  -5.385   4.230
  128    HA   GLN  17           HA       GLN  17  -6.283  -5.217   3.452
  129   1HB   GLN  17          1HB       GLN  17  -5.863  -6.406   5.503
  130   2HB   GLN  17          2HB       GLN  17  -4.837  -5.089   6.135
  131   1HG   GLN  17          1HG       GLN  17  -6.629  -3.650   6.442
  132   2HG   GLN  17          2HG       GLN  17  -7.744  -4.707   5.531
  133   2HE2  GLN  17          2HE2      GLN  17  -8.580  -3.724   7.945
  134   1HE2  GLN  17          1HE2      GLN  17  -8.573  -5.018   9.139
  135    H    LEU  18           H        LEU  18  -3.760  -3.023   4.439
  136    HA   LEU  18           HA       LEU  18  -5.484  -0.898   4.897
  137   1HB   LEU  18          1HB       LEU  18  -3.260  -1.011   5.720
  138   2HB   LEU  18          2HB       LEU  18  -2.609  -0.799   4.087
  139    HG   LEU  18           HG       LEU  18  -3.135   1.139   5.800
  140   1HD1  LEU  18          1HD1      LEU  18  -1.877   1.390   3.701
  141   2HD1  LEU  18          2HD1      LEU  18  -3.397   1.490   2.804
  142   3HD1  LEU  18          3HD1      LEU  18  -2.928   2.778   3.906
  143   1HD2  LEU  18          1HD2      LEU  18  -5.671   0.797   5.761
  144   2HD2  LEU  18          2HD2      LEU  18  -4.905   2.243   6.048
  145   3HD2  LEU  18          3HD2      LEU  18  -5.503   1.943   4.395
  146    H    VAL  19           H        VAL  19  -3.870  -2.028   2.036
  147    HA   VAL  19           HA       VAL  19  -4.361   0.061  -0.046
  148    HB   VAL  19           HB       VAL  19  -3.880  -2.875  -0.033
  149   1HG1  VAL  19          1HG1      VAL  19  -4.427  -0.876  -2.257
  150   2HG1  VAL  19          2HG1      VAL  19  -3.733  -2.496  -2.448
  151   3HG1  VAL  19          3HG1      VAL  19  -5.380  -2.339  -1.900
  152   1HG2  VAL  19          1HG2      VAL  19  -2.304  -0.542   0.348
  153   2HG2  VAL  19          2HG2      VAL  19  -1.731  -2.113  -0.084
  154   3HG2  VAL  19          3HG2      VAL  19  -2.144  -0.922  -1.366
  155    H    THR  20           H        THR  20  -6.079  -2.857   1.408
  156    HA   THR  20           HA       THR  20  -8.352  -2.649  -0.308
  157    HB   THR  20           HB       THR  20  -7.128  -4.664   1.182
  158    HG1  THR  20           HG1      THR  20  -9.645  -4.610  -0.073
  159   1HG2  THR  20          1HG2      THR  20  -8.444  -4.175   3.233
  160   2HG2  THR  20          2HG2      THR  20  -9.887  -4.583   2.327
  161   3HG2  THR  20          3HG2      THR  20  -8.565  -5.776   2.555
  162    H    THR  21           H        THR  21  -7.608  -1.156   2.822
  163    HA   THR  21           HA       THR  21 -10.285  -0.352   3.493
  164    HB   THR  21           HB       THR  21  -7.479   0.037   4.279
  165    HG1  THR  21           HG1      THR  21  -9.810  -0.188   5.867
  166   1HG2  THR  21          1HG2      THR  21  -9.288   2.443   4.624
  167   2HG2  THR  21          2HG2      THR  21  -7.962   2.061   5.713
  168   3HG2  THR  21          3HG2      THR  21  -7.667   2.358   3.988
  169    H    ILE  22           H        ILE  22  -7.815   0.732   1.239
  170    HA   ILE  22           HA       ILE  22  -8.977   3.352   0.804
  171    HB   ILE  22           HB       ILE  22  -6.871   2.205  -1.027
  172   1HG1  ILE  22          1HG1      ILE  22  -6.468   2.777   1.888
  173   2HG1  ILE  22          2HG1      ILE  22  -5.707   1.606   0.781
  174   1HG2  ILE  22          1HG2      ILE  22  -8.041   4.447  -1.300
  175   2HG2  ILE  22          2HG2      ILE  22  -7.179   4.978   0.154
  176   3HG2  ILE  22          3HG2      ILE  22  -6.282   4.444  -1.296
  177   1HD1  ILE  22          1HD1      ILE  22  -4.413   3.434  -0.237
  178   2HD1  ILE  22          2HD1      ILE  22  -5.184   4.522   0.941
  179   3HD1  ILE  22          3HD1      ILE  22  -4.118   3.232   1.513
  180    H    CYS  23           H        CYS  23  -8.360   0.348  -1.079
  181    HA   CYS  23           HA       CYS  23 -10.239   0.909  -3.138
  182   1HB   CYS  23          2HB       CYS  23  -9.475  -1.883  -2.105
  183   2HB   CYS  23          1HB       CYS  23 -10.175  -1.448  -3.643
  184    HG   CYS  23           HG       CYS  23  -8.169  -0.060  -4.572
  185    H    ASN  24           H        ASN  24 -10.679   0.452   0.257
  186    HA   ASN  24           HA       ASN  24 -13.619  -0.103  -0.359
  187   1HB   ASN  24          1HB       ASN  24 -12.661  -1.772   1.084
  188   2HB   ASN  24          2HB       ASN  24 -12.294  -0.558   2.305
  189   2HD2  ASN  24          2HD2      ASN  24 -13.967  -0.710   4.068
  190   1HD2  ASN  24          1HD2      ASN  24 -15.601  -1.013   3.600
  191    H    ALA  25           H        ALA  25 -11.633   2.475   0.918
  192    HA   ALA  25           HA       ALA  25 -12.091   4.585   1.739
  193   1HB   ALA  25          1HB       ALA  25 -14.730   4.119   0.158
  194   2HB   ALA  25          3HB       ALA  25 -14.262   5.661   0.845
  195   3HB   ALA  25          2HB       ALA  25 -13.276   4.938  -0.448
  196    H    ASP  26           H        ASP  26 -12.398   2.395   3.078
  197    HA   ASP  26           HA       ASP  26 -14.276   1.813   5.014
  198   1HB   ASP  26          1HB       ASP  26 -12.413   0.785   3.954
  199   2HB   ASP  26          2HB       ASP  26 -11.308   1.693   4.947
  200    H    THR  27           H        THR  27 -13.139   4.542   4.656
  201    HA   THR  27           HA       THR  27 -11.841   5.298   7.219
  202    HB   THR  27           HB       THR  27 -10.415   6.543   6.179
  203    HG1  THR  27           HG1      THR  27 -12.085   6.742   3.886
  204   1HG2  THR  27          1HG2      THR  27 -10.105   4.317   5.423
  205   2HG2  THR  27          2HG2      THR  27 -10.989   4.690   3.910
  206   3HG2  THR  27          3HG2      THR  27  -9.483   5.559   4.310
  207    H    SER  28           H        SER  28 -11.546   7.917   7.109
  208    HA   SER  28           HA       SER  28 -13.835   8.860   8.430
  209   1HB   SER  28          2HB       SER  28 -12.736  11.017   8.214
  210   2HB   SER  28          1HB       SER  28 -11.563   9.743   8.738
  211    HG   SER  28           HG       SER  28 -11.077  11.398   7.040
  212    H    SER  29           H        SER  29 -12.909   8.633   5.235
  213    HA   SER  29           HA       SER  29 -15.116   8.232   4.109
  214   1HB   SER  29          1HB       SER  29 -16.330  10.334   3.192
  215   2HB   SER  29          2HB       SER  29 -16.626   9.880   4.881
  216    HG   SER  29           HG       SER  29 -15.264  11.415   5.547
  217    H    GLU  30           H        GLU  30 -12.935  10.443   3.566
  218    HA   GLU  30           HA       GLU  30 -12.465   9.626   0.909
  219   1HB   GLU  30          1HB       GLU  30 -13.396  12.522   1.343
  220   2HB   GLU  30          2HB       GLU  30 -12.690  11.987  -0.180
  221   1HG   GLU  30          1HG       GLU  30 -14.614  10.428  -0.511
  222   2HG   GLU  30          2HG       GLU  30 -15.358  11.074   0.960
  223    H    GLU  31           H        GLU  31 -11.479  10.993   3.616
  224    HA   GLU  31           HA       GLU  31  -9.379  12.653   2.898
  225   1HB   GLU  31          1HB       GLU  31 -11.558  12.692   4.297
  226   2HB   GLU  31          2HB       GLU  31 -10.498  11.877   5.166
  227   1HG   GLU  31          1HG       GLU  31  -8.871  13.753   5.290
  228   2HG   GLU  31          2HG       GLU  31 -10.212  14.744   4.644
  229    H    GLU  32           H        GLU  32  -9.844  10.468   5.351
  230    HA   GLU  32           HA       GLU  32  -7.271   9.426   5.876
  231   1HB   GLU  32          1HB       GLU  32  -9.902   8.490   6.069
  232   2HB   GLU  32          2HB       GLU  32  -8.569   7.326   6.215
  233   1HG   GLU  32          2HG       GLU  32  -9.096   9.795   7.888
  234   2HG   GLU  32          1HG       GLU  32  -9.008   8.072   8.408
  235    H    LEU  33           H        LEU  33  -9.365   9.227   3.130
  236    HA   LEU  33           HA       LEU  33  -8.277   6.774   2.103
  237   1HB   LEU  33          1HB       LEU  33 -10.310   8.839   1.443
  238   2HB   LEU  33          2HB       LEU  33  -9.681   8.070   0.022
  239    HG   LEU  33           HG       LEU  33 -10.286   6.328   2.448
  240   1HD1  LEU  33          1HD1      LEU  33 -12.055   8.005   2.249
  241   2HD1  LEU  33          2HD1      LEU  33 -12.494   7.390   0.637
  242   3HD1  LEU  33          3HD1      LEU  33 -12.666   6.438   2.138
  243   1HD2  LEU  33          1HD2      LEU  33  -9.292   5.768   0.020
  244   2HD2  LEU  33          2HD2      LEU  33 -10.541   4.697   0.574
  245   3HD2  LEU  33          3HD2      LEU  33 -10.934   5.984  -0.570
  246    H    VAL  34           H        VAL  34  -8.077  10.215   1.133
  247    HA   VAL  34           HA       VAL  34  -5.957  10.063  -0.745
  248    HB   VAL  34           HB       VAL  34  -7.100  12.072   0.965
  249   1HG1  VAL  34          1HG1      VAL  34  -4.761  12.578  -0.915
  250   2HG1  VAL  34          2HG1      VAL  34  -5.783  13.862  -0.224
  251   3HG1  VAL  34          3HG1      VAL  34  -4.783  12.865   0.836
  252   1HG2  VAL  34          1HG2      VAL  34  -8.336  11.343  -1.018
  253   2HG2  VAL  34          2HG2      VAL  34  -7.863  13.043  -1.141
  254   3HG2  VAL  34          3HG2      VAL  34  -6.950  11.798  -2.037
  255    H    LYS  35           H        LYS  35  -6.117   9.905   2.732
  256    HA   LYS  35           HA       LYS  35  -3.353  10.621   3.357
  257   1HB   LYS  35          1HB       LYS  35  -5.189  11.183   4.735
  258   2HB   LYS  35          2HB       LYS  35  -5.722   9.503   4.719
  259   1HG   LYS  35          1HG       LYS  35  -2.972   9.836   5.618
  260   2HG   LYS  35          2HG       LYS  35  -4.233  10.690   6.484
  261   1HD   LYS  35          1HD       LYS  35  -5.399   8.315   6.561
  262   2HD   LYS  35          2HD       LYS  35  -3.858   7.706   6.013
  263   1HE   LYS  35          1HE       LYS  35  -4.384   7.496   8.448
  264   2HE   LYS  35          2HE       LYS  35  -2.780   8.182   8.047
  265   1HZ   LYS  35          1HZ       LYS  35  -3.871  10.379   8.488
  266   2HZ   LYS  35          2HZ       LYS  35  -5.218   9.561   8.863
  267   3HZ   LYS  35          3HZ       LYS  35  -3.926   9.365   9.836
  268    H    LEU  36           H        LEU  36  -5.470   7.564   3.314
  269    HA   LEU  36           HA       LEU  36  -3.260   5.961   4.021
  270   1HB   LEU  36          1HB       LEU  36  -6.112   5.526   3.005
  271   2HB   LEU  36          2HB       LEU  36  -5.082   4.146   3.320
  272    HG   LEU  36           HG       LEU  36  -5.521   6.199   5.394
  273   1HD1  LEU  36          1HD1      LEU  36  -7.491   4.612   4.631
  274   2HD1  LEU  36          2HD1      LEU  36  -6.616   3.585   5.816
  275   3HD1  LEU  36          3HD1      LEU  36  -7.214   5.166   6.305
  276   1HD2  LEU  36          1HD2      LEU  36  -3.873   3.907   5.375
  277   2HD2  LEU  36          2HD2      LEU  36  -3.657   5.494   6.065
  278   3HD2  LEU  36          3HD2      LEU  36  -4.746   4.371   6.887
  279    H    VAL  37           H        VAL  37  -4.604   7.259   1.058
  280    HA   VAL  37           HA       VAL  37  -3.235   5.614  -0.735
  281    HB   VAL  37           HB       VAL  37  -4.429   8.361  -0.800
  282   1HG1  VAL  37          1HG1      VAL  37  -2.553   7.596  -3.042
  283   2HG1  VAL  37          2HG1      VAL  37  -3.753   8.912  -3.075
  284   3HG1  VAL  37          3HG1      VAL  37  -2.414   9.001  -1.954
  285   1HG2  VAL  37          1HG2      VAL  37  -4.695   5.974  -2.626
  286   2HG2  VAL  37          2HG2      VAL  37  -5.827   6.542  -1.374
  287   3HG2  VAL  37          3HG2      VAL  37  -5.574   7.506  -2.814
  288    H    THR  38           H        THR  38  -2.352   8.685   0.784
  289    HA   THR  38           HA       THR  38   0.217   8.947  -0.183
  290    HB   THR  38           HB       THR  38  -1.397  10.233   1.470
  291    HG1  THR  38           HG1      THR  38  -0.188  10.654  -0.912
  292   1HG2  THR  38          1HG2      THR  38   0.507  10.433   2.978
  293   2HG2  THR  38          2HG2      THR  38   1.550  10.894   1.610
  294   3HG2  THR  38          3HG2      THR  38   0.268  11.992   2.170
  295    H    HIS  39           H        HIS  39  -0.990   7.481   2.897
  296    HA   HIS  39           HA       HIS  39   1.553   6.981   4.009
  297   1HB   HIS  39          1HB       HIS  39  -0.870   6.602   5.039
  298   2HB   HIS  39          2HB       HIS  39  -0.697   5.113   4.166
  299    HD1  HIS  39           HD1      HIS  39   2.082   6.834   6.425
  300    HD2  HIS  39           HD2      HIS  39   0.267   3.175   5.525
  301    HE1  HIS  39           HE1      HIS  39   2.792   5.279   8.205
  302    H    PHE  40           H        PHE  40  -0.254   5.454   1.294
  303    HA   PHE  40           HA       PHE  40   1.516   3.131   1.306
  304   1HB   PHE  40          1HB       PHE  40  -0.726   3.230   0.077
  305   2HB   PHE  40          2HB       PHE  40   0.090   4.166  -1.169
  306    HD1  PHE  40           HD1      PHE  40   2.419   3.088  -2.085
  307    HD2  PHE  40           HD2      PHE  40  -0.690   0.925  -0.061
  308    HE1  PHE  40           HE1      PHE  40   3.129   1.000  -3.191
  309    HE2  PHE  40           HE2      PHE  40   0.043  -1.186  -1.227
  310    HZ   PHE  40           HZ       PHE  40   1.884  -1.114  -2.844
  311    H    GLU  41           H        GLU  41   1.300   5.999  -0.687
  312    HA   GLU  41           HA       GLU  41   3.554   6.036  -2.158
  313   1HB   GLU  41          1HB       GLU  41   2.663   8.464  -1.053
  314   2HB   GLU  41          2HB       GLU  41   3.444   8.157  -2.616
  315   1HG   GLU  41          1HG       GLU  41   1.386   6.921  -3.298
  316   2HG   GLU  41          2HG       GLU  41   0.681   7.389  -1.799
  317    H    GLU  42           H        GLU  42   3.354   6.615   1.224
  318    HA   GLU  42           HA       GLU  42   5.818   7.954   1.668
  319   1HB   GLU  42          1HB       GLU  42   3.860   8.602   2.670
  320   2HB   GLU  42          2HB       GLU  42   3.913   6.983   3.292
  321   1HG   GLU  42          1HG       GLU  42   6.224   8.511   4.140
  322   2HG   GLU  42          2HG       GLU  42   4.672   9.292   4.528
  323    H    MET  43           H        MET  43   4.203   5.054   2.600
  324    HA   MET  43           HA       MET  43   5.959   4.129   4.318
  325   1HB   MET  43          1HB       MET  43   3.788   2.832   2.730
  326   2HB   MET  43          2HB       MET  43   4.827   1.784   3.613
  327   1HG   MET  43          1HG       MET  43   3.452   4.093   4.937
  328   2HG   MET  43          2HG       MET  43   2.703   2.524   4.755
  329   1HE   MET  43          1HE       MET  43   4.552   4.873   6.652
  330   2HE   MET  43          2HE       MET  43   5.239   4.039   8.035
  331   3HE   MET  43          3HE       MET  43   6.161   4.141   6.516
  332    H    THR  44           H        THR  44   5.442   2.860   1.110
  333    HA   THR  44           HA       THR  44   7.375   0.778   1.548
  334    HB   THR  44           HB       THR  44   5.294   0.183   0.704
  335    HG1  THR  44           HG1      THR  44   6.942   0.122  -1.549
  336   1HG2  THR  44          1HG2      THR  44   5.508   2.559  -1.083
  337   2HG2  THR  44          2HG2      THR  44   4.778   1.116  -1.799
  338   3HG2  THR  44          3HG2      THR  44   4.125   1.774  -0.319
  339    H    GLU  45           H        GLU  45   8.192   3.816   0.732
  340    HA   GLU  45           HA       GLU  45   9.835   4.790  -0.551
  341   1HB   GLU  45          1HB       GLU  45  11.115   2.104  -0.643
  342   2HB   GLU  45          2HB       GLU  45  11.904   3.639  -0.885
  343   1HG   GLU  45          1HG       GLU  45  11.784   4.168   1.469
  344   2HG   GLU  45          2HG       GLU  45  10.711   2.784   1.782
  345    H    HIS  46           H        HIS  46   7.464   3.638  -2.010
  346    HA   HIS  46           HA       HIS  46   8.725   2.053  -4.119
  347   1HB   HIS  46          1HB       HIS  46   6.754   1.115  -3.064
  348   2HB   HIS  46          2HB       HIS  46   5.781   2.509  -3.592
  349    HD1  HIS  46           HD1      HIS  46   4.976   2.477  -6.124
  350    HD2  HIS  46           HD2      HIS  46   7.666  -0.621  -5.137
  351    HE1  HIS  46           HE1      HIS  46   5.311   1.020  -8.207
  352    HA   PRO  47           HA       PRO  47   8.884   5.188  -7.341
  353   1HB   PRO  47          2HB       PRO  47   7.610   2.803  -8.743
  354   2HB   PRO  47          1HB       PRO  47   8.811   3.972  -9.379
  355   1HG   PRO  47          1HG       PRO  47   9.541   1.527  -8.222
  356   2HG   PRO  47          2HG       PRO  47  10.522   3.011  -8.007
  357   1HD   PRO  47          2HD       PRO  47   8.770   1.506  -6.229
  358   2HD   PRO  47          1HD       PRO  47  10.167   2.476  -5.900
  359    H    SER  48           H        SER  48   5.901   3.173  -7.592
  360    HA   SER  48           HA       SER  48   4.615   5.493  -8.713
  361   1HB   SER  48          1HB       SER  48   3.587   4.131 -10.311
  362   2HB   SER  48          2HB       SER  48   5.258   3.671 -10.197
  363    HG   SER  48           HG       SER  48   3.005   2.250  -9.755
  364    H    GLY  49           H        GLY  49   4.380   5.686  -6.356
  365   1HA   GLY  49          2HA       GLY  49   2.890   6.550  -4.752
  366   2HA   GLY  49          1HA       GLY  49   2.733   4.824  -4.408
  367    H    SER  50           H        SER  50   1.300   7.477  -6.337
  368    HA   SER  50           HA       SER  50  -1.411   6.492  -5.877
  369   1HB   SER  50          1HB       SER  50  -0.256   8.665  -7.668
  370   2HB   SER  50          2HB       SER  50  -1.985   8.310  -7.554
  371    HG   SER  50           HG       SER  50  -0.300   9.092  -5.350
  372    H    ASP  51           H        ASP  51   0.735   4.793  -7.784
  373    HA   ASP  51           HA       ASP  51  -0.702   4.791 -10.255
  374   1HB   ASP  51          1HB       ASP  51   2.172   5.493  -9.763
  375   2HB   ASP  51          2HB       ASP  51   1.626   4.776 -11.290
  376    H    LEU  52           H        LEU  52   0.519   3.198  -7.432
  377    HA   LEU  52           HA       LEU  52  -0.194   0.873  -9.118
  378   1HB   LEU  52          1HB       LEU  52   0.900  -0.424  -7.166
  379   2HB   LEU  52          2HB       LEU  52   1.887   0.231  -8.481
  380    HG   LEU  52           HG       LEU  52   3.012   1.688  -7.134
  381   1HD1  LEU  52          1HD1      LEU  52   1.068   2.541  -5.795
  382   2HD1  LEU  52          2HD1      LEU  52   1.157   1.092  -4.817
  383   3HD1  LEU  52          3HD1      LEU  52   2.530   2.263  -4.875
  384   1HD2  LEU  52          1HD2      LEU  52   2.392  -0.798  -5.574
  385   2HD2  LEU  52          2HD2      LEU  52   3.610  -0.593  -6.875
  386   3HD2  LEU  52          3HD2      LEU  52   3.775   0.292  -5.333
  387    H    ILE  53           H        ILE  53  -1.933   2.731  -8.118
  388    HA   ILE  53           HA       ILE  53  -3.157   1.247  -5.929
  389    HB   ILE  53           HB       ILE  53  -2.462   4.121  -6.006
  390   1HG1  ILE  53          1HG1      ILE  53  -0.910   2.380  -4.879
  391   2HG1  ILE  53          2HG1      ILE  53  -1.626   3.453  -3.749
  392   1HG2  ILE  53          1HG2      ILE  53  -4.785   2.799  -4.574
  393   2HG2  ILE  53          2HG2      ILE  53  -3.999   4.305  -4.001
  394   3HG2  ILE  53          3HG2      ILE  53  -4.727   4.212  -5.611
  395   1HD1  ILE  53          1HD1      ILE  53  -3.348   1.768  -3.303
  396   2HD1  ILE  53          2HD1      ILE  53  -2.281   0.663  -4.228
  397   3HD1  ILE  53          3HD1      ILE  53  -1.641   1.495  -2.808
  398    H    TYR  54           H        TYR  54  -3.592   3.721  -8.566
  399    HA   TYR  54           HA       TYR  54  -5.908   2.044  -9.449
  400   1HB   TYR  54          2HB       TYR  54  -5.890   5.040  -9.639
  401   2HB   TYR  54          1HB       TYR  54  -7.237   3.924  -9.838
  402    HD1  TYR  54           HD1      TYR  54  -7.532   2.363  -7.512
  403    HD2  TYR  54           HD2      TYR  54  -5.751   6.274  -7.614
  404    HE1  TYR  54           HE1      TYR  54  -8.328   2.743  -5.225
  405    HE2  TYR  54           HE2      TYR  54  -6.207   6.466  -5.168
  406    HH   TYR  54           HH       TYR  54  -8.396   4.263  -3.446
  407    H    TYR  55           H        TYR  55  -3.164   4.049 -10.488
  408    HA   TYR  55           HA       TYR  55  -3.968   4.453 -13.155
  409   1HB   TYR  55          1HB       TYR  55  -2.067   5.511 -11.755
  410   2HB   TYR  55          2HB       TYR  55  -1.065   4.203 -12.378
  411    HD1  TYR  55           HD1      TYR  55  -1.429   3.949 -15.182
  412    HD2  TYR  55           HD2      TYR  55  -1.759   7.515 -12.771
  413    HE1  TYR  55           HE1      TYR  55  -0.968   5.329 -17.167
  414    HE2  TYR  55           HE2      TYR  55  -1.277   8.897 -14.727
  415    HH   TYR  55           HH       TYR  55  -0.646   8.883 -16.926
  416    HA   PRO  56           HA       PRO  56  -1.424   0.269 -14.196
  417   1HB   PRO  56          1HB       PRO  56  -2.031  -1.664 -12.318
  418   2HB   PRO  56          2HB       PRO  56  -0.491  -0.769 -12.454
  419   1HG   PRO  56          2HG       PRO  56  -2.932   0.104 -10.849
  420   2HG   PRO  56          1HG       PRO  56  -1.285  -0.273 -10.257
  421   1HD   PRO  56          1HD       PRO  56  -1.841   2.250 -10.812
  422   2HD   PRO  56          2HD       PRO  56  -0.478   1.574 -11.756
  423    H    LYS  57           H        LYS  57  -2.958  -1.129 -15.498
  424    HA   LYS  57           HA       LYS  57  -5.479  -1.842 -14.405
  425   1HB   LYS  57          1HB       LYS  57  -5.926   0.635 -14.946
  426   2HB   LYS  57          2HB       LYS  57  -5.795   0.197 -16.630
  427   1HG   LYS  57          1HG       LYS  57  -7.888  -0.592 -16.643
  428   2HG   LYS  57          2HG       LYS  57  -7.558  -1.739 -15.355
  429   1HD   LYS  57          1HD       LYS  57  -8.239   1.178 -14.813
  430   2HD   LYS  57          2HD       LYS  57  -9.425  -0.133 -14.943
  431   1HE   LYS  57          1HE       LYS  57  -9.138   0.014 -12.649
  432   2HE   LYS  57          2HE       LYS  57  -8.105  -1.346 -13.095
  433   1HZ   LYS  57          1HZ       LYS  57  -7.061   1.396 -12.532
  434   2HZ   LYS  57          2HZ       LYS  57  -7.059   0.067 -11.553
  435   3HZ   LYS  57          3HZ       LYS  57  -6.207   0.041 -12.882
  436    H    GLU  58           H        GLU  58  -3.962  -1.197 -17.274
  437    HA   GLU  58           HA       GLU  58  -5.622  -3.040 -18.782
  438   1HB   GLU  58          1HB       GLU  58  -5.373  -1.033 -19.444
  439   2HB   GLU  58          2HB       GLU  58  -3.600  -1.398 -19.744
  440   1HG   GLU  58          1HG       GLU  58  -4.119  -2.782 -21.627
  441   2HG   GLU  58          2HG       GLU  58  -5.772  -3.027 -21.072
  442    H    GLY  59           H        GLY  59  -4.980  -4.328 -17.837
  443   1HA   GLY  59          2HA       GLY  59  -3.177  -6.598 -18.726
  444   2HA   GLY  59          1HA       GLY  59  -4.350  -6.747 -17.402
  445    H    ASP  60           H        ASP  60  -3.250  -4.063 -16.239
  446    HA   ASP  60           HA       ASP  60  -0.801  -5.152 -15.034
  447   1HB   ASP  60          1HB       ASP  60  -0.966  -2.575 -16.052
  448   2HB   ASP  60          2HB       ASP  60  -1.651  -2.337 -14.461
  449    H    ASP  61           H        ASP  61  -1.137  -5.928 -13.299
  450    HA   ASP  61           HA       ASP  61  -3.772  -6.275 -12.289
  451   1HB   ASP  61          1HB       ASP  61  -2.488  -8.183 -12.360
  452   2HB   ASP  61          2HB       ASP  61  -1.439  -7.376 -11.218
  453    H    ASP  62           H        ASP  62  -4.338  -4.081 -11.645
  454    HA   ASP  62           HA       ASP  62  -3.064  -2.902  -9.198
  455   1HB   ASP  62          2HB       ASP  62  -4.344  -1.053  -9.729
  456   2HB   ASP  62          1HB       ASP  62  -3.999  -1.706 -11.342
  457    H    SER  63           H        SER  63  -5.080  -5.611  -9.673
  458    HA   SER  63           HA       SER  63  -7.474  -4.961  -8.332
  459   1HB   SER  63          1HB       SER  63  -5.918  -7.527  -7.824
  460   2HB   SER  63          2HB       SER  63  -7.651  -7.301  -7.670
  461    HG   SER  63           HG       SER  63  -6.024  -7.489  -9.958
  462    HA   PRO  64           HA       PRO  64  -6.308  -3.462  -4.472
  463   1HB   PRO  64          2HB       PRO  64  -7.881  -5.642  -3.083
  464   2HB   PRO  64          1HB       PRO  64  -7.759  -3.908  -2.702
  465   1HG   PRO  64          1HG       PRO  64  -9.861  -4.746  -4.182
  466   2HG   PRO  64          2HG       PRO  64  -8.930  -3.337  -4.809
  467   1HD   PRO  64          2HD       PRO  64  -8.580  -6.261  -5.455
  468   2HD   PRO  64          1HD       PRO  64  -8.758  -4.937  -6.642
  469    H    SER  65           H        SER  65  -5.628  -6.578  -4.916
  470    HA   SER  65           HA       SER  65  -3.463  -7.142  -3.070
  471   1HB   SER  65          1HB       SER  65  -3.772  -9.327  -4.237
  472   2HB   SER  65          2HB       SER  65  -5.126  -8.776  -3.183
  473    HG   SER  65           HG       SER  65  -5.020  -9.024  -6.001
  474    H    GLY  66           H        GLY  66  -3.890  -7.095  -6.550
  475   1HA   GLY  66          2HA       GLY  66  -2.693  -6.946  -8.192
  476   2HA   GLY  66          1HA       GLY  66  -1.434  -7.883  -7.446
  477    H    ILE  67           H        ILE  67  -2.989  -4.685  -6.609
  478    HA   ILE  67           HA       ILE  67  -0.677  -3.311  -7.288
  479    HB   ILE  67           HB       ILE  67  -1.523  -1.581  -5.502
  480   1HG1  ILE  67          1HG1      ILE  67  -3.692  -3.600  -5.256
  481   2HG1  ILE  67          2HG1      ILE  67  -2.728  -2.736  -4.194
  482   1HG2  ILE  67          1HG2      ILE  67  -1.916  -1.562  -8.048
  483   2HG2  ILE  67          2HG2      ILE  67  -3.569  -2.109  -7.529
  484   3HG2  ILE  67          3HG2      ILE  67  -2.997  -0.585  -7.018
  485   1HD1  ILE  67          1HD1      ILE  67  -3.980  -0.593  -4.691
  486   2HD1  ILE  67          2HD1      ILE  67  -4.943  -1.445  -5.910
  487   3HD1  ILE  67          3HD1      ILE  67  -5.123  -1.842  -4.236
  488    H    VAL  68           H        VAL  68  -1.561  -4.726  -4.316
  489    HA   VAL  68           HA       VAL  68   0.727  -3.552  -2.908
  490    HB   VAL  68           HB       VAL  68  -0.919  -5.981  -2.090
  491   1HG1  VAL  68          1HG1      VAL  68   1.221  -4.912  -0.662
  492   2HG1  VAL  68          2HG1      VAL  68   0.088  -3.639  -0.331
  493   3HG1  VAL  68          3HG1      VAL  68  -0.314  -5.260   0.213
  494   1HG2  VAL  68          1HG2      VAL  68  -1.492  -3.079  -2.031
  495   2HG2  VAL  68          2HG2      VAL  68  -2.496  -4.459  -2.560
  496   3HG2  VAL  68          3HG2      VAL  68  -2.225  -4.184  -0.853
  497    H    ASN  69           H        ASN  69  -0.069  -6.082  -4.834
  498    HA   ASN  69           HA       ASN  69   2.204  -7.925  -4.766
  499   1HB   ASN  69          1HB       ASN  69  -0.106  -7.788  -5.928
  500   2HB   ASN  69          2HB       ASN  69   1.128  -7.920  -7.203
  501   2HD2  ASN  69          2HD2      ASN  69  -1.034  -9.779  -6.152
  502   1HD2  ASN  69          1HD2      ASN  69  -0.199 -11.221  -5.572
  503    H    THR  70           H        THR  70   1.404  -4.993  -6.554
  504    HA   THR  70           HA       THR  70   3.485  -5.326  -8.239
  505    HB   THR  70           HB       THR  70   2.154  -2.741  -7.321
  506    HG1  THR  70           HG1      THR  70   0.820  -4.503  -8.411
  507   1HG2  THR  70          1HG2      THR  70   3.678  -3.193  -9.917
  508   2HG2  THR  70          2HG2      THR  70   2.732  -1.752  -9.512
  509   3HG2  THR  70          3HG2      THR  70   4.182  -2.138  -8.573
  510    H    VAL  71           H        VAL  71   3.004  -3.858  -5.168
  511    HA   VAL  71           HA       VAL  71   5.630  -2.747  -4.709
  512    HB   VAL  71           HB       VAL  71   3.225  -3.151  -2.945
  513   1HG1  VAL  71          1HG1      VAL  71   5.794  -3.735  -1.611
  514   2HG1  VAL  71          2HG1      VAL  71   4.341  -3.034  -0.861
  515   3HG1  VAL  71          3HG1      VAL  71   4.273  -4.640  -1.584
  516   1HG2  VAL  71          1HG2      VAL  71   4.219  -1.187  -3.908
  517   2HG2  VAL  71          2HG2      VAL  71   4.201  -1.141  -2.116
  518   3HG2  VAL  71          3HG2      VAL  71   5.724  -1.510  -3.008
  519    H    LYS  72           H        LYS  72   4.107  -5.732  -4.028
  520    HA   LYS  72           HA       LYS  72   6.384  -7.008  -3.043
  521   1HB   LYS  72          1HB       LYS  72   3.778  -7.913  -3.734
  522   2HB   LYS  72          2HB       LYS  72   4.890  -9.123  -4.347
  523   1HG   LYS  72          1HG       LYS  72   4.697  -9.663  -2.011
  524   2HG   LYS  72          2HG       LYS  72   6.143  -8.651  -2.007
  525   1HD   LYS  72          2HD       LYS  72   5.131  -7.278  -0.743
  526   2HD   LYS  72          1HD       LYS  72   4.099  -6.771  -1.957
  527   1HE   LYS  72          1HE       LYS  72   2.693  -8.960  -1.723
  528   2HE   LYS  72          2HE       LYS  72   3.251  -8.966  -0.062
  529   1HZ   LYS  72          1HZ       LYS  72   1.884  -6.715  -1.397
  530   2HZ   LYS  72          2HZ       LYS  72   1.117  -7.823  -0.422
  531   3HZ   LYS  72          3HZ       LYS  72   2.243  -6.813   0.209
  532    H    GLN  73           H        GLN  73   6.108  -6.134  -5.965
  533    HA   GLN  73           HA       GLN  73   7.875  -7.866  -7.233
  534   1HB   GLN  73          1HB       GLN  73   5.908  -6.228  -8.314
  535   2HB   GLN  73          2HB       GLN  73   7.221  -7.000  -9.267
  536   1HG   GLN  73          1HG       GLN  73   5.540  -8.536  -7.120
  537   2HG   GLN  73          2HG       GLN  73   5.467  -8.191  -8.719
  538   2HE2  GLN  73          2HE2      GLN  73   7.214 -10.029  -6.445
  539   1HE2  GLN  73          1HE2      GLN  73   7.921 -11.177  -7.600
  540    H    TRP  74           H        TRP  74   7.467  -4.399  -6.942
  541    HA   TRP  74           HA       TRP  74  10.091  -3.501  -7.710
  542   1HB   TRP  74          1HB       TRP  74   8.114  -2.113  -7.550
  543   2HB   TRP  74          2HB       TRP  74   8.467  -2.189  -5.804
  544    HD1  TRP  74           HD1      TRP  74   9.929  -1.083  -9.131
  545    HE1  TRP  74           HE1      TRP  74  12.002   0.379  -8.883
  546    HE3  TRP  74           HE3      TRP  74  10.030  -0.918  -4.086
  547    HZ2  TRP  74           HZ2      TRP  74  13.252   1.833  -6.728
  548    HZ3  TRP  74           HZ3      TRP  74  11.426   0.710  -3.009
  549    HH2  TRP  74           HH2      TRP  74  13.035   2.166  -4.277
  550    H    ARG  75           H        ARG  75   8.533  -3.985  -4.524
  551    HA   ARG  75           HA       ARG  75  10.977  -3.972  -3.105
  552   1HB   ARG  75          1HB       ARG  75   8.228  -5.239  -2.284
  553   2HB   ARG  75          2HB       ARG  75   9.516  -5.042  -1.198
  554   1HG   ARG  75          1HG       ARG  75   9.252  -2.421  -2.026
  555   2HG   ARG  75          2HG       ARG  75   7.642  -2.955  -2.236
  556   1HD   ARG  75          1HD       ARG  75   7.254  -3.043   0.033
  557   2HD   ARG  75          2HD       ARG  75   8.791  -3.833   0.380
  558    HE   ARG  75           HE       ARG  75   8.413  -0.934  -0.167
  559   1HH1  ARG  75          1HH1      ARG  75   9.928  -3.373   1.995
  560   2HH1  ARG  75          2HH1      ARG  75  10.949  -2.182   2.725
  561   1HH2  ARG  75          1HH2      ARG  75   9.921   0.458   0.629
  562   2HH2  ARG  75          2HH2      ARG  75  11.127   0.055   1.779
  563    H    ALA  76           H        ALA  76   9.902  -6.281  -5.113
  564    HA   ALA  76           HA       ALA  76  11.469  -8.317  -3.655
  565   1HB   ALA  76          1HB       ALA  76   9.472  -8.724  -5.885
  566   2HB   ALA  76          3HB       ALA  76  10.455 -10.034  -5.220
  567   3HB   ALA  76          2HB       ALA  76   9.304  -9.207  -4.161
  568    H    ALA  77           H        ALA  77  11.361  -6.547  -6.434
  569    HA   ALA  77           HA       ALA  77  13.600  -8.030  -7.657
  570   1HB   ALA  77          1HB       ALA  77  11.717  -7.168  -9.120
  571   2HB   ALA  77          3HB       ALA  77  12.104  -5.513  -8.608
  572   3HB   ALA  77          2HB       ALA  77  13.265  -6.419  -9.597
  573    H    ASN  78           H        ASN  78  12.936  -4.942  -6.343
  574    HA   ASN  78           HA       ASN  78  15.670  -4.110  -6.137
  575   1HB   ASN  78          1HB       ASN  78  13.315  -2.810  -6.027
  576   2HB   ASN  78          2HB       ASN  78  13.262  -3.432  -4.440
  577   2HD2  ASN  78          2HD2      ASN  78  16.093  -3.054  -3.566
  578   1HD2  ASN  78          1HD2      ASN  78  16.440  -1.336  -3.702
  579    H    GLY  79           H        GLY  79  13.619  -6.144  -4.793
  580   1HA   GLY  79          2HA       GLY  79  15.464  -7.514  -3.013
  581   2HA   GLY  79          1HA       GLY  79  13.719  -7.826  -3.057
  582    H    LYS  80           H        LYS  80  13.040  -5.012  -2.597
  583    HA   LYS  80           HA       LYS  80  14.120  -3.626  -0.533
  584   1HB   LYS  80          1HB       LYS  80  11.271  -3.883  -0.430
  585   2HB   LYS  80          2HB       LYS  80  12.292  -2.630   0.290
  586   1HG   LYS  80          1HG       LYS  80  12.598  -3.227  -2.570
  587   2HG   LYS  80          2HG       LYS  80  11.268  -2.332  -2.133
  588   1HD   LYS  80          1HD       LYS  80  13.868  -1.845  -1.773
  589   2HD   LYS  80          2HD       LYS  80  12.986  -1.345  -3.094
  590   1HE   LYS  80          1HE       LYS  80  11.541  -0.028  -1.506
  591   2HE   LYS  80          2HE       LYS  80  12.422  -0.540  -0.275
  592   1HZ   LYS  80          1HZ       LYS  80  14.453   0.617  -1.211
  593   2HZ   LYS  80          2HZ       LYS  80  13.417   1.357  -2.280
  594   3HZ   LYS  80          3HZ       LYS  80  13.334   1.586  -0.649
  595    H    SER  81           H        SER  81  11.864  -6.077  -0.255
  596    HA   SER  81           HA       SER  81  11.030  -7.653   1.209
  597   1HB   SER  81          1HB       SER  81  13.296  -7.374   2.667
  598   2HB   SER  81          2HB       SER  81  12.185  -8.739   2.695
  599    HG   SER  81           HG       SER  81  13.964  -7.925   0.588
  600    H    GLY  82           H        GLY  82  12.145  -6.763   3.805
  601   1HA   GLY  82          2HA       GLY  82  11.608  -4.093   4.242
  602   2HA   GLY  82          1HA       GLY  82  11.820  -5.292   5.572
  603    H    PHE  83           H        PHE  83   9.250  -6.539   4.603
  604    HA   PHE  83           HA       PHE  83   7.569  -4.859   6.336
  605   1HB   PHE  83          1HB       PHE  83   6.818  -7.398   4.816
  606   2HB   PHE  83          2HB       PHE  83   5.891  -6.489   5.866
  607    HD1  PHE  83           HD1      PHE  83   7.375  -6.225   2.689
  608    HD2  PHE  83           HD2      PHE  83   4.379  -4.799   5.425
  609    HE1  PHE  83           HE1      PHE  83   6.320  -5.104   0.863
  610    HE2  PHE  83           HE2      PHE  83   3.272  -3.738   3.694
  611    HZ   PHE  83           HZ       PHE  83   4.201  -3.764   1.256
  612    H    LYS  84           H        LYS  84   6.304  -7.283   7.110
  613    HA   LYS  84           HA       LYS  84   7.596  -8.495   9.254
  614   1HB   LYS  84          1HB       LYS  84   6.724  -6.212   9.445
  615   2HB   LYS  84          2HB       LYS  84   5.212  -7.069   9.225
  616   1HG   LYS  84          1HG       LYS  84   5.317  -8.168  11.264
  617   2HG   LYS  84          2HG       LYS  84   7.095  -8.056  11.372
  618   1HD   LYS  84          1HD       LYS  84   7.046  -5.752  11.848
  619   2HD   LYS  84          2HD       LYS  84   5.337  -5.620  11.342
  620   1HE   LYS  84          1HE       LYS  84   4.666  -7.037  13.227
  621   2HE   LYS  84          2HE       LYS  84   6.333  -7.103  13.799
  622   1HZ   LYS  84          1HZ       LYS  84   4.746  -4.607  13.486
  623   2HZ   LYS  84          2HZ       LYS  84   4.957  -5.379  14.921
  624   3HZ   LYS  84          3HZ       LYS  84   6.207  -4.641  14.141
  625    H    GLN  85           H        GLN  85   5.742  -9.796  10.078
  626    HA   GLN  85           HA       GLN  85   4.268 -11.309   8.000
  627   1HB   GLN  85          1HB       GLN  85   6.329 -12.311   9.034
  628   2HB   GLN  85          2HB       GLN  85   4.852 -13.192   9.552
  629   1HG   GLN  85          1HG       GLN  85   4.247 -13.585   7.281
  630   2HG   GLN  85          2HG       GLN  85   5.530 -12.505   6.700
  631   2HE2  GLN  85          2HE2      GLN  85   7.014 -13.756   5.598
  632   1HE2  GLN  85          1HE2      GLN  85   7.647 -15.273   6.233
  633    H    GLY  86           H        GLY  86   4.777 -11.081  11.403
  634   1HA   GLY  86          2HA       GLY  86   2.723 -11.519  12.917
  635   2HA   GLY  86          1HA       GLY  86   2.102 -10.172  11.913

  No H/Q in entry =         635
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -7.547  -0.785  11.572
    2    H2   MET   1           H2       MET   1  -8.576  -0.438  10.288
    3    H3   MET   1           H3       MET   1  -7.075  -1.109  10.068
    4    HA   MET   1           HA       MET   1  -6.979   1.128   9.449
    5   1HB   MET   1          1HB       MET   1  -8.525   1.628  11.888
    6   2HB   MET   1          2HB       MET   1  -7.060   2.637  11.813
    7   1HG   MET   1          1HG       MET   1  -8.805   3.764  10.604
    8   2HG   MET   1          2HG       MET   1  -7.534   3.244   9.491
    9   1HE   MET   1          1HE       MET   1  -9.491   3.803   7.722
   10   2HE   MET   1          2HE       MET   1 -10.954   2.805   7.495
   11   3HE   MET   1          3HE       MET   1 -10.830   3.906   8.888
   12    H    GLU   2           H        GLU   2  -4.940   0.580   9.055
   13    HA   GLU   2           HA       GLU   2  -3.094   0.579  11.349
   14   1HB   GLU   2          1HB       GLU   2  -3.177  -1.311   8.982
   15   2HB   GLU   2          2HB       GLU   2  -1.808  -1.120  10.081
   16   1HG   GLU   2          1HG       GLU   2  -3.000  -2.975  10.862
   17   2HG   GLU   2          2HG       GLU   2  -3.273  -1.694  12.015
   18    H    LEU   3           H        LEU   3  -1.054   1.465  10.792
   19    HA   LEU   3           HA       LEU   3  -0.420   2.814   8.564
   20   1HB   LEU   3          1HB       LEU   3  -1.720   4.230  10.945
   21   2HB   LEU   3          2HB       LEU   3  -0.387   4.997  10.078
   22    HG   LEU   3           HG       LEU   3  -3.121   4.291   9.018
   23   1HD1  LEU   3          1HD1      LEU   3  -2.707   6.443  10.288
   24   2HD1  LEU   3          2HD1      LEU   3  -1.420   6.855   9.128
   25   3HD1  LEU   3          3HD1      LEU   3  -3.111   6.766   8.579
   26   1HD2  LEU   3          1HD2      LEU   3  -0.618   5.159   7.561
   27   2HD2  LEU   3          2HD2      LEU   3  -1.741   3.830   7.114
   28   3HD2  LEU   3          3HD2      LEU   3  -2.184   5.511   6.856
   29    H    LYS   4           H        LYS   4   1.580   3.736   9.064
   30    HA   LYS   4           HA       LYS   4   2.834   2.547  11.351
   31   1HB   LYS   4          1HB       LYS   4   2.741   1.142   8.859
   32   2HB   LYS   4          2HB       LYS   4   4.332   1.594   9.129
   33   1HG   LYS   4          2HG       LYS   4   3.919  -0.552  10.188
   34   2HG   LYS   4          1HG       LYS   4   4.299   0.694  11.391
   35   1HD   LYS   4          1HD       LYS   4   2.163   0.795  12.253
   36   2HD   LYS   4          2HD       LYS   4   1.467  -0.134  10.876
   37   1HE   LYS   4          1HE       LYS   4   2.909  -2.030  11.753
   38   2HE   LYS   4          2HE       LYS   4   3.241  -1.027  13.173
   39   1HZ   LYS   4          1HZ       LYS   4   0.674  -1.018  13.329
   40   2HZ   LYS   4          2HZ       LYS   4   0.761  -2.316  12.277
   41   3HZ   LYS   4          3HZ       LYS   4   1.474  -2.438  13.684
   42    H    HIS   5           H        HIS   5   5.155   2.413  10.764
   43    HA   HIS   5           HA       HIS   5   6.225   5.086  10.464
   44   1HB   HIS   5          2HB       HIS   5   7.589   3.138  12.279
   45   2HB   HIS   5          1HB       HIS   5   7.377   4.838  12.436
   46    HD1  HIS   5           HD1      HIS   5   4.731   5.466  13.559
   47    HD2  HIS   5           HD2      HIS   5   5.858   1.544  12.849
   48    HE1  HIS   5           HE1      HIS   5   2.841   4.033  14.532
   49    H    SER   6           H        SER   6   6.538   1.875   9.847
   50    HA   SER   6           HA       SER   6   8.301   2.292   7.871
   51   1HB   SER   6          2HB       SER   6   8.786  -0.218   9.169
   52   2HB   SER   6          1HB       SER   6   9.613   1.185   8.584
   53    HG   SER   6           HG       SER   6   8.940   0.912  11.318
   54    H    ILE   7           H        ILE   7   7.879   0.949   6.265
   55    HA   ILE   7           HA       ILE   7   5.709  -0.608   6.070
   56    HB   ILE   7           HB       ILE   7   7.951   0.124   4.474
   57   1HG1  ILE   7          1HG1      ILE   7   5.390  -0.282   4.196
   58   2HG1  ILE   7          2HG1      ILE   7   6.561   0.189   2.999
   59   1HG2  ILE   7          1HG2      ILE   7   9.176  -1.865   5.221
   60   2HG2  ILE   7          2HG2      ILE   7   7.961  -2.884   4.410
   61   3HG2  ILE   7          3HG2      ILE   7   8.901  -1.726   3.479
   62   1HD1  ILE   7          1HD1      ILE   7   5.884  -2.615   3.495
   63   2HD1  ILE   7          2HD1      ILE   7   4.933  -1.541   2.406
   64   3HD1  ILE   7          3HD1      ILE   7   6.674  -1.860   2.074
   65    H    SER   8           H        SER   8   8.124  -1.352   8.197
   66    HA   SER   8           HA       SER   8   7.755  -4.182   8.067
   67   1HB   SER   8          1HB       SER   8   9.591  -4.265   7.594
   68   2HB   SER   8          2HB       SER   8   9.727  -2.621   7.527
   69    HG   SER   8           HG       SER   8  10.225  -4.074   9.905
   70    H    ASP   9           H        ASP   9   7.007  -1.399   9.834
   71    HA   ASP   9           HA       ASP   9   6.982  -2.968  12.346
   72   1HB   ASP   9          1HB       ASP   9   6.117  -0.197  11.448
   73   2HB   ASP   9          2HB       ASP   9   5.338  -0.854  12.881
   74    H    TYR  10           H        TYR  10   5.376  -2.910   9.364
   75    HA   TYR  10           HA       TYR  10   3.061  -4.218  10.715
   76   1HB   TYR  10          1HB       TYR  10   1.464  -3.444   9.157
   77   2HB   TYR  10          2HB       TYR  10   2.188  -2.132   9.940
   78    HD1  TYR  10           HD1      TYR  10   4.319  -3.237   7.257
   79    HD2  TYR  10           HD2      TYR  10   0.734  -1.023   8.118
   80    HE1  TYR  10           HE1      TYR  10   4.459  -2.225   5.085
   81    HE2  TYR  10           HE2      TYR  10   1.003   0.150   5.943
   82    HH   TYR  10           HH       TYR  10   2.175  -0.005   3.767
   83    H    THR  11           H        THR  11   2.185  -6.090   9.398
   84    HA   THR  11           HA       THR  11   4.421  -7.346   7.913
   85    HB   THR  11           HB       THR  11   3.607  -9.305   8.372
   86    HG1  THR  11           HG1      THR  11   1.416  -9.932   8.301
   87   1HG2  THR  11          1HG2      THR  11   3.418  -8.434  10.568
   88   2HG2  THR  11          2HG2      THR  11   1.700  -8.009  10.288
   89   3HG2  THR  11          3HG2      THR  11   2.204  -9.677  10.290
   90    H    GLU  12           H        GLU  12   3.584  -8.649   5.876
   91    HA   GLU  12           HA       GLU  12   2.935  -6.668   3.936
   92   1HB   GLU  12          1HB       GLU  12   4.255  -8.891   3.671
   93   2HB   GLU  12          2HB       GLU  12   2.668  -9.688   3.668
   94   1HG   GLU  12          1HG       GLU  12   2.105  -7.799   1.849
   95   2HG   GLU  12          2HG       GLU  12   3.812  -7.671   1.731
   96    H    ALA  13           H        ALA  13   1.016  -8.860   5.703
   97    HA   ALA  13           HA       ALA  13  -1.403  -8.696   3.994
   98   1HB   ALA  13          1HB       ALA  13  -0.992 -10.805   5.237
   99   2HB   ALA  13          3HB       ALA  13  -1.002  -9.906   6.777
  100   3HB   ALA  13          2HB       ALA  13  -2.478 -10.009   5.799
  101    H    GLU  14           H        GLU  14   0.007  -7.460   6.956
  102    HA   GLU  14           HA       GLU  14  -2.115  -5.914   7.926
  103   1HB   GLU  14          1HB       GLU  14   0.435  -6.693   8.728
  104   2HB   GLU  14          2HB       GLU  14   0.756  -5.076   8.193
  105   1HG   GLU  14          1HG       GLU  14  -0.944  -4.159   9.649
  106   2HG   GLU  14          2HG       GLU  14  -1.339  -5.805  10.230
  107    H    PHE  15           H        PHE  15   0.254  -5.265   5.415
  108    HA   PHE  15           HA       PHE  15  -0.700  -2.481   5.073
  109   1HB   PHE  15          1HB       PHE  15   1.676  -3.253   4.668
  110   2HB   PHE  15          2HB       PHE  15   1.111  -4.254   3.357
  111    HD1  PHE  15           HD1      PHE  15  -0.305  -0.816   3.857
  112    HD2  PHE  15           HD2      PHE  15   2.502  -3.244   1.686
  113    HE1  PHE  15           HE1      PHE  15   0.278   1.128   2.455
  114    HE2  PHE  15           HE2      PHE  15   3.121  -1.278   0.306
  115    HZ   PHE  15           HZ       PHE  15   2.094   0.918   0.770
  116    H    LEU  16           H        LEU  16  -1.095  -5.793   3.683
  117    HA   LEU  16           HA       LEU  16  -2.171  -4.785   1.223
  118   1HB   LEU  16          1HB       LEU  16  -1.312  -7.028   1.580
  119   2HB   LEU  16          2HB       LEU  16  -2.668  -7.406   2.649
  120    HG   LEU  16           HG       LEU  16  -4.239  -7.447   0.968
  121   1HD1  LEU  16          1HD1      LEU  16  -3.568  -5.378  -0.349
  122   2HD1  LEU  16          2HD1      LEU  16  -2.329  -6.372  -1.151
  123   3HD1  LEU  16          3HD1      LEU  16  -4.085  -6.744  -1.254
  124   1HD2  LEU  16          1HD2      LEU  16  -2.571  -9.364   0.774
  125   2HD2  LEU  16          2HD2      LEU  16  -3.243  -8.981  -0.817
  126   3HD2  LEU  16          3HD2      LEU  16  -1.604  -8.431  -0.376
  127    H    GLN  17           H        GLN  17  -3.617  -5.510   4.287
  128    HA   GLN  17           HA       GLN  17  -6.200  -5.253   3.738
  129   1HB   GLN  17          2HB       GLN  17  -6.724  -5.014   6.053
  130   2HB   GLN  17          1HB       GLN  17  -5.643  -6.404   5.665
  131   1HG   GLN  17          1HG       GLN  17  -3.787  -4.918   6.185
  132   2HG   GLN  17          2HG       GLN  17  -4.986  -3.735   6.788
  133   2HE2  GLN  17          2HE2      GLN  17  -5.364  -3.875   9.086
  134   1HE2  GLN  17          1HE2      GLN  17  -5.150  -5.370   9.975
  135    H    LEU  18           H        LEU  18  -3.655  -3.013   4.324
  136    HA   LEU  18           HA       LEU  18  -5.316  -0.874   5.189
  137   1HB   LEU  18          1HB       LEU  18  -2.876  -1.285   5.735
  138   2HB   LEU  18          2HB       LEU  18  -2.453  -0.868   4.076
  139    HG   LEU  18           HG       LEU  18  -3.634   1.032   6.040
  140   1HD1  LEU  18          1HD1      LEU  18  -1.312   0.090   6.524
  141   2HD1  LEU  18          2HD1      LEU  18  -0.789   0.964   5.047
  142   3HD1  LEU  18          3HD1      LEU  18  -1.464   1.827   6.434
  143   1HD2  LEU  18          1HD2      LEU  18  -2.437   1.480   3.255
  144   2HD2  LEU  18          2HD2      LEU  18  -4.083   1.879   3.779
  145   3HD2  LEU  18          3HD2      LEU  18  -2.723   2.786   4.423
  146    H    VAL  19           H        VAL  19  -3.782  -2.021   2.293
  147    HA   VAL  19           HA       VAL  19  -4.192   0.212   0.284
  148    HB   VAL  19           HB       VAL  19  -3.755  -2.722  -0.046
  149   1HG1  VAL  19          1HG1      VAL  19  -3.917  -0.281  -1.880
  150   2HG1  VAL  19          2HG1      VAL  19  -3.213  -1.823  -2.328
  151   3HG1  VAL  19          3HG1      VAL  19  -4.912  -1.761  -1.921
  152   1HG2  VAL  19          1HG2      VAL  19  -2.048  -0.467   0.769
  153   2HG2  VAL  19          2HG2      VAL  19  -1.614  -2.156   0.534
  154   3HG2  VAL  19          3HG2      VAL  19  -1.603  -1.019  -0.829
  155    H    THR  20           H        THR  20  -5.904  -2.553   1.741
  156    HA   THR  20           HA       THR  20  -8.194  -2.782  -0.005
  157    HB   THR  20           HB       THR  20  -6.795  -4.035   2.249
  158    HG1  THR  20           HG1      THR  20  -6.308  -4.862   0.465
  159   1HG2  THR  20          1HG2      THR  20  -8.752  -4.129   3.432
  160   2HG2  THR  20          2HG2      THR  20  -9.587  -4.916   2.044
  161   3HG2  THR  20          3HG2      THR  20  -8.219  -5.714   2.884
  162    H    THR  21           H        THR  21  -7.546  -1.194   3.236
  163    HA   THR  21           HA       THR  21 -10.216  -0.271   3.647
  164    HB   THR  21           HB       THR  21  -7.429   0.370   4.514
  165    HG1  THR  21           HG1      THR  21  -9.723  -0.125   6.118
  166   1HG2  THR  21          1HG2      THR  21  -9.678   2.271   5.234
  167   2HG2  THR  21          2HG2      THR  21  -8.105   2.194   6.002
  168   3HG2  THR  21          3HG2      THR  21  -8.242   2.660   4.298
  169    H    ILE  22           H        ILE  22  -7.689   0.720   1.440
  170    HA   ILE  22           HA       ILE  22  -8.836   3.289   0.804
  171    HB   ILE  22           HB       ILE  22  -6.733   1.904  -0.903
  172   1HG1  ILE  22          1HG1      ILE  22  -6.498   2.998   1.854
  173   2HG1  ILE  22          2HG1      ILE  22  -5.662   1.678   1.027
  174   1HG2  ILE  22          1HG2      ILE  22  -7.884   3.960  -1.776
  175   2HG2  ILE  22          2HG2      ILE  22  -7.148   4.850  -0.431
  176   3HG2  ILE  22          3HG2      ILE  22  -6.137   4.041  -1.649
  177   1HD1  ILE  22          1HD1      ILE  22  -4.349   3.359  -0.243
  178   2HD1  ILE  22          2HD1      ILE  22  -5.141   4.588   0.792
  179   3HD1  ILE  22          3HD1      ILE  22  -4.099   3.335   1.520
  180    H    CYS  23           H        CYS  23  -8.206   0.280  -0.961
  181    HA   CYS  23           HA       CYS  23 -10.143   0.676  -3.003
  182   1HB   CYS  23          2HB       CYS  23  -9.018  -2.013  -1.984
  183   2HB   CYS  23          1HB       CYS  23  -9.850  -1.711  -3.475
  184    H    ASN  24           H        ASN  24 -10.531   0.421   0.382
  185    HA   ASN  24           HA       ASN  24 -13.434  -0.153  -0.348
  186   1HB   ASN  24          1HB       ASN  24 -12.444  -1.881   1.150
  187   2HB   ASN  24          2HB       ASN  24 -12.394  -0.662   2.425
  188   2HD2  ASN  24          2HD2      ASN  24 -14.767  -1.710  -0.132
  189   1HD2  ASN  24          1HD2      ASN  24 -16.102  -1.798   1.025
  190    H    ALA  25           H        ALA  25 -11.582   2.436   1.000
  191    HA   ALA  25           HA       ALA  25 -12.172   4.543   1.812
  192   1HB   ALA  25          1HB       ALA  25 -14.911   3.923   0.485
  193   2HB   ALA  25          3HB       ALA  25 -14.285   5.509   0.910
  194   3HB   ALA  25          2HB       ALA  25 -13.518   4.566  -0.402
  195    H    ASP  26           H        ASP  26 -12.661   2.073   3.177
  196    HA   ASP  26           HA       ASP  26 -14.562   1.695   5.054
  197   1HB   ASP  26          1HB       ASP  26 -12.740   0.392   4.359
  198   2HB   ASP  26          2HB       ASP  26 -11.594   1.533   4.971
  199    H    THR  27           H        THR  27 -12.856   4.253   4.751
  200    HA   THR  27           HA       THR  27 -11.847   5.003   7.295
  201    HB   THR  27           HB       THR  27 -10.740   6.641   6.182
  202    HG1  THR  27           HG1      THR  27 -12.849   6.358   4.322
  203   1HG2  THR  27          1HG2      THR  27  -9.992   4.457   5.584
  204   2HG2  THR  27          2HG2      THR  27 -10.963   4.511   4.080
  205   3HG2  THR  27          3HG2      THR  27  -9.642   5.674   4.358
  206    H    SER  28           H        SER  28 -11.672   7.294   7.864
  207    HA   SER  28           HA       SER  28 -13.802   8.499   8.928
  208   1HB   SER  28          2HB       SER  28 -12.589  10.594   8.801
  209   2HB   SER  28          1HB       SER  28 -11.444   9.252   9.110
  210    HG   SER  28           HG       SER  28 -10.805  10.869   7.527
  211    H    SER  29           H        SER  29 -13.076   8.463   5.666
  212    HA   SER  29           HA       SER  29 -15.007   8.691   4.051
  213   1HB   SER  29          1HB       SER  29 -15.919  10.904   5.257
  214   2HB   SER  29          2HB       SER  29 -16.617  10.100   3.884
  215    HG   SER  29           HG       SER  29 -16.459   9.203   6.563
  216    H    GLU  30           H        GLU  30 -13.198   8.798   3.007
  217    HA   GLU  30           HA       GLU  30 -12.347   9.399   1.364
  218   1HB   GLU  30          2HB       GLU  30 -13.573  12.164   1.643
  219   2HB   GLU  30          1HB       GLU  30 -12.827  11.604   0.150
  220   1HG   GLU  30          1HG       GLU  30 -14.490   9.812  -0.082
  221   2HG   GLU  30          2HG       GLU  30 -15.240  10.258   1.450
  222    H    GLU  31           H        GLU  31 -11.403  10.773   3.863
  223    HA   GLU  31           HA       GLU  31  -9.203  12.326   3.176
  224   1HB   GLU  31          1HB       GLU  31 -11.395  12.509   4.495
  225   2HB   GLU  31          2HB       GLU  31 -10.293  11.847   5.540
  226   1HG   GLU  31          1HG       GLU  31  -9.360  14.249   4.167
  227   2HG   GLU  31          2HG       GLU  31 -10.556  14.445   5.480
  228    H    GLU  32           H        GLU  32  -9.904  10.087   5.443
  229    HA   GLU  32           HA       GLU  32  -7.304   9.109   6.265
  230   1HB   GLU  32          1HB       GLU  32  -9.966   8.312   6.296
  231   2HB   GLU  32          2HB       GLU  32  -8.730   6.971   6.105
  232   1HG   GLU  32          1HG       GLU  32  -7.628   8.093   8.042
  233   2HG   GLU  32          2HG       GLU  32  -9.246   8.826   8.354
  234    H    LEU  33           H        LEU  33  -9.493   8.739   3.461
  235    HA   LEU  33           HA       LEU  33  -8.172   6.571   2.330
  236   1HB   LEU  33          1HB       LEU  33  -9.981   8.770   1.399
  237   2HB   LEU  33          2HB       LEU  33  -9.158   7.902   0.118
  238    HG   LEU  33           HG       LEU  33 -10.378   6.328   2.415
  239   1HD1  LEU  33          1HD1      LEU  33 -11.757   7.890   0.167
  240   2HD1  LEU  33          2HD1      LEU  33 -12.267   6.278   0.354
  241   3HD1  LEU  33          3HD1      LEU  33 -12.435   7.332   1.760
  242   1HD2  LEU  33          1HD2      LEU  33  -8.875   5.341   0.722
  243   2HD2  LEU  33          2HD2      LEU  33 -10.497   4.674   0.548
  244   3HD2  LEU  33          3HD2      LEU  33  -9.925   5.879  -0.600
  245    H    VAL  34           H        VAL  34  -7.813  10.036   1.625
  246    HA   VAL  34           HA       VAL  34  -5.692   9.907  -0.280
  247    HB   VAL  34           HB       VAL  34  -6.728  11.927   1.484
  248   1HG1  VAL  34          1HG1      VAL  34  -4.557  12.375  -0.596
  249   2HG1  VAL  34          2HG1      VAL  34  -5.484  13.685   0.173
  250   3HG1  VAL  34          3HG1      VAL  34  -4.419  12.672   1.150
  251   1HG2  VAL  34          1HG2      VAL  34  -8.166  11.241  -0.377
  252   2HG2  VAL  34          2HG2      VAL  34  -7.645  12.918  -0.564
  253   3HG2  VAL  34          3HG2      VAL  34  -6.859  11.630  -1.518
  254    H    LYS  35           H        LYS  35  -5.897   9.624   3.194
  255    HA   LYS  35           HA       LYS  35  -3.096  10.325   3.790
  256   1HB   LYS  35          1HB       LYS  35  -4.943  11.040   4.978
  257   2HB   LYS  35          2HB       LYS  35  -5.390   9.357   5.414
  258   1HG   LYS  35          1HG       LYS  35  -3.223   9.040   6.422
  259   2HG   LYS  35          2HG       LYS  35  -2.771  10.717   5.970
  260   1HD   LYS  35          1HD       LYS  35  -5.037   9.782   7.683
  261   2HD   LYS  35          2HD       LYS  35  -3.475  10.511   8.214
  262   1HE   LYS  35          2HE       LYS  35  -5.007  12.295   8.507
  263   2HE   LYS  35          1HE       LYS  35  -4.223  12.623   6.956
  264   1HZ   LYS  35          1HZ       LYS  35  -6.298  11.620   5.915
  265   2HZ   LYS  35          2HZ       LYS  35  -7.011  11.692   7.403
  266   3HZ   LYS  35          3HZ       LYS  35  -6.530  13.008   6.683
  267    H    LEU  36           H        LEU  36  -5.249   7.276   3.729
  268    HA   LEU  36           HA       LEU  36  -3.244   5.470   4.365
  269   1HB   LEU  36          1HB       LEU  36  -6.013   5.712   3.041
  270   2HB   LEU  36          2HB       LEU  36  -5.291   4.176   3.203
  271    HG   LEU  36           HG       LEU  36  -6.834   5.410   4.930
  272   1HD1  LEU  36          1HD1      LEU  36  -6.128   2.883   4.738
  273   2HD1  LEU  36          2HD1      LEU  36  -4.749   3.292   5.755
  274   3HD1  LEU  36          3HD1      LEU  36  -6.371   3.436   6.421
  275   1HD2  LEU  36          1HD2      LEU  36  -5.255   6.869   6.068
  276   2HD2  LEU  36          2HD2      LEU  36  -5.871   5.625   7.130
  277   3HD2  LEU  36          3HD2      LEU  36  -4.248   5.463   6.456
  278    H    VAL  37           H        VAL  37  -4.392   7.071   1.378
  279    HA   VAL  37           HA       VAL  37  -2.886   5.551  -0.476
  280    HB   VAL  37           HB       VAL  37  -4.229   8.244  -0.456
  281   1HG1  VAL  37          1HG1      VAL  37  -2.327   7.452  -2.646
  282   2HG1  VAL  37          2HG1      VAL  37  -3.669   8.591  -2.889
  283   3HG1  VAL  37          3HG1      VAL  37  -2.388   8.979  -1.742
  284   1HG2  VAL  37          1HG2      VAL  37  -5.485   6.195  -0.914
  285   2HG2  VAL  37          2HG2      VAL  37  -5.533   7.312  -2.276
  286   3HG2  VAL  37          3HG2      VAL  37  -4.471   5.887  -2.339
  287    H    THR  38           H        THR  38  -2.193   8.603   1.161
  288    HA   THR  38           HA       THR  38   0.337   9.119   0.019
  289    HB   THR  38           HB       THR  38  -0.911  10.067   2.151
  290    HG1  THR  38           HG1      THR  38  -2.009  10.713   0.479
  291   1HG2  THR  38          1HG2      THR  38   1.444  10.600   2.571
  292   2HG2  THR  38          2HG2      THR  38   1.626  11.124   0.890
  293   3HG2  THR  38          3HG2      THR  38   0.679  12.107   2.035
  294    H    HIS  39           H        HIS  39  -0.719   7.476   3.003
  295    HA   HIS  39           HA       HIS  39   1.876   7.003   4.038
  296   1HB   HIS  39          1HB       HIS  39  -0.213   6.773   5.329
  297   2HB   HIS  39          2HB       HIS  39  -0.564   5.400   4.287
  298    HD1  HIS  39           HD1      HIS  39   2.652   6.305   6.287
  299    HD2  HIS  39           HD2      HIS  39  -0.080   3.186   5.521
  300    HE1  HIS  39           HE1      HIS  39   3.344   4.380   7.753
  301    H    PHE  40           H        PHE  40  -0.046   5.382   1.470
  302    HA   PHE  40           HA       PHE  40   1.788   3.081   1.382
  303   1HB   PHE  40          1HB       PHE  40  -0.472   3.012   0.300
  304   2HB   PHE  40          2HB       PHE  40   0.069   4.186  -0.882
  305    HD1  PHE  40           HD1      PHE  40   2.560   3.455  -2.042
  306    HD2  PHE  40           HD2      PHE  40  -0.427   0.840  -0.409
  307    HE1  PHE  40           HE1      PHE  40   3.208   1.827  -3.628
  308    HE2  PHE  40           HE2      PHE  40   0.264  -0.913  -2.042
  309    HZ   PHE  40           HZ       PHE  40   2.082  -0.462  -3.668
  310    H    GLU  41           H        GLU  41   1.320   6.009  -0.533
  311    HA   GLU  41           HA       GLU  41   3.353   6.066  -2.217
  312   1HB   GLU  41          1HB       GLU  41   2.455   8.481  -1.168
  313   2HB   GLU  41          2HB       GLU  41   3.414   8.134  -2.607
  314   1HG   GLU  41          1HG       GLU  41   0.632   7.610  -2.010
  315   2HG   GLU  41          2HG       GLU  41   1.516   8.135  -3.529
  316    H    GLU  42           H        GLU  42   3.589   6.558   1.196
  317    HA   GLU  42           HA       GLU  42   6.202   7.696   1.356
  318   1HB   GLU  42          1HB       GLU  42   4.317   8.441   2.663
  319   2HB   GLU  42          2HB       GLU  42   4.565   6.874   3.319
  320   1HG   GLU  42          1HG       GLU  42   6.486   9.140   3.551
  321   2HG   GLU  42          2HG       GLU  42   5.344   8.603   4.800
  322    H    MET  43           H        MET  43   4.504   5.001   2.694
  323    HA   MET  43           HA       MET  43   6.339   3.859   4.139
  324   1HB   MET  43          1HB       MET  43   3.953   2.773   2.727
  325   2HB   MET  43          2HB       MET  43   4.954   1.620   3.428
  326   1HG   MET  43          1HG       MET  43   3.952   3.955   4.881
  327   2HG   MET  43          2HG       MET  43   3.066   2.456   4.841
  328   1HE   MET  43          1HE       MET  43   5.247   4.751   6.450
  329   2HE   MET  43          2HE       MET  43   6.030   3.936   7.793
  330   3HE   MET  43          3HE       MET  43   6.792   3.920   6.195
  331    H    THR  44           H        THR  44   5.562   2.910   0.914
  332    HA   THR  44           HA       THR  44   7.519   0.737   1.090
  333    HB   THR  44           HB       THR  44   5.542  -0.117   0.604
  334    HG1  THR  44           HG1      THR  44   6.252   0.183  -2.016
  335   1HG2  THR  44          1HG2      THR  44   4.887   2.059  -1.377
  336   2HG2  THR  44          2HG2      THR  44   3.924   0.578  -1.056
  337   3HG2  THR  44          3HG2      THR  44   4.149   1.733   0.210
  338    H    GLU  45           H        GLU  45   7.883   3.855   0.427
  339    HA   GLU  45           HA       GLU  45   9.733   4.934  -0.473
  340   1HB   GLU  45          1HB       GLU  45  10.242   2.952   1.208
  341   2HB   GLU  45          2HB       GLU  45  10.845   2.192  -0.256
  342   1HG   GLU  45          1HG       GLU  45  12.555   4.071  -0.350
  343   2HG   GLU  45          2HG       GLU  45  12.073   4.415   1.328
  344    H    HIS  46           H        HIS  46   7.895   3.877  -2.431
  345    HA   HIS  46           HA       HIS  46   9.395   2.295  -4.361
  346   1HB   HIS  46          1HB       HIS  46   7.484   1.209  -3.354
  347   2HB   HIS  46          2HB       HIS  46   6.472   2.626  -3.548
  348    HD1  HIS  46           HD1      HIS  46   5.144   2.798  -5.850
  349    HD2  HIS  46           HD2      HIS  46   8.008  -0.278  -5.623
  350    HE1  HIS  46           HE1      HIS  46   4.899   1.368  -7.956
  351    HA   PRO  47           HA       PRO  47   9.215   5.560  -7.427
  352   1HB   PRO  47          1HB       PRO  47   8.539   3.897  -9.637
  353   2HB   PRO  47          2HB       PRO  47  10.159   4.374  -9.070
  354   1HG   PRO  47          1HG       PRO  47   8.660   1.782  -8.303
  355   2HG   PRO  47          2HG       PRO  47  10.354   2.021  -8.816
  356   1HD   PRO  47          1HD       PRO  47   9.366   1.642  -6.406
  357   2HD   PRO  47          2HD       PRO  47  10.756   2.714  -6.672
  358    H    SER  48           H        SER  48   6.823   3.080  -8.191
  359    HA   SER  48           HA       SER  48   5.166   5.108  -9.377
  360   1HB   SER  48          1HB       SER  48   5.815   2.255  -9.734
  361   2HB   SER  48          2HB       SER  48   4.254   2.743 -10.331
  362    HG   SER  48           HG       SER  48   5.351   4.494 -11.414
  363    H    GLY  49           H        GLY  49   4.891   5.200  -6.838
  364   1HA   GLY  49          2HA       GLY  49   3.284   5.955  -5.322
  365   2HA   GLY  49          1HA       GLY  49   2.703   4.323  -5.197
  366    H    SER  50           H        SER  50   2.653   7.189  -7.173
  367    HA   SER  50           HA       SER  50  -0.053   7.549  -7.576
  368   1HB   SER  50          1HB       SER  50   0.805   8.998  -9.500
  369   2HB   SER  50          2HB       SER  50   1.438   9.328  -7.883
  370    HG   SER  50           HG       SER  50   2.711   7.927 -10.011
  371    H    ASP  51           H        ASP  51   1.390   4.564  -8.921
  372    HA   ASP  51           HA       ASP  51   0.068   4.807 -11.368
  373   1HB   ASP  51          2HB       ASP  51   2.870   3.840 -11.160
  374   2HB   ASP  51          1HB       ASP  51   1.989   4.364 -12.513
  375    H    LEU  52           H        LEU  52   0.888   3.181  -8.282
  376    HA   LEU  52           HA       LEU  52  -0.308   0.748  -9.699
  377   1HB   LEU  52          1HB       LEU  52   0.052   0.080  -7.006
  378   2HB   LEU  52          2HB       LEU  52   0.848  -0.573  -8.410
  379    HG   LEU  52           HG       LEU  52   2.607   1.272  -8.121
  380   1HD1  LEU  52          1HD1      LEU  52   1.196   2.557  -6.410
  381   2HD1  LEU  52          2HD1      LEU  52   1.387   1.227  -5.318
  382   3HD1  LEU  52          3HD1      LEU  52   2.817   2.171  -5.832
  383   1HD2  LEU  52          1HD2      LEU  52   2.280  -0.970  -6.193
  384   2HD2  LEU  52          2HD2      LEU  52   3.352  -0.810  -7.629
  385   3HD2  LEU  52          3HD2      LEU  52   3.670   0.104  -6.162
  386    H    ILE  53           H        ILE  53  -1.085   3.329  -7.327
  387    HA   ILE  53           HA       ILE  53  -3.132   1.588  -6.279
  388    HB   ILE  53           HB       ILE  53  -2.414   4.390  -5.676
  389   1HG1  ILE  53          2HG1      ILE  53  -0.747   3.122  -4.717
  390   2HG1  ILE  53          1HG1      ILE  53  -1.956   3.200  -3.465
  391   1HG2  ILE  53          1HG2      ILE  53  -4.581   2.611  -4.549
  392   2HG2  ILE  53          2HG2      ILE  53  -3.962   4.100  -3.743
  393   3HG2  ILE  53          3HG2      ILE  53  -4.783   4.201  -5.294
  394   1HD1  ILE  53          1HD1      ILE  53  -2.750   1.099  -3.968
  395   2HD1  ILE  53          2HD1      ILE  53  -1.488   0.908  -5.259
  396   3HD1  ILE  53          3HD1      ILE  53  -1.015   1.103  -3.564
  397    H    TYR  54           H        TYR  54  -3.009   2.852  -9.202
  398    HA   TYR  54           HA       TYR  54  -5.854   3.223  -9.447
  399   1HB   TYR  54          2HB       TYR  54  -4.364   5.353 -10.741
  400   2HB   TYR  54          1HB       TYR  54  -6.010   5.291 -10.080
  401    HD1  TYR  54           HD1      TYR  54  -2.396   5.300  -9.286
  402    HD2  TYR  54           HD2      TYR  54  -6.261   6.006  -7.537
  403    HE1  TYR  54           HE1      TYR  54  -1.406   5.879  -7.307
  404    HE2  TYR  54           HE2      TYR  54  -5.095   6.635  -5.426
  405    HH   TYR  54           HH       TYR  54  -1.617   6.636  -4.959
  406    H    TYR  55           H        TYR  55  -2.733   3.315 -10.921
  407    HA   TYR  55           HA       TYR  55  -3.761   3.673 -13.694
  408   1HB   TYR  55          1HB       TYR  55  -0.911   3.058 -12.894
  409   2HB   TYR  55          2HB       TYR  55  -1.445   3.197 -14.539
  410    HD1  TYR  55           HD1      TYR  55  -3.005   5.822 -12.536
  411    HD2  TYR  55           HD2      TYR  55   0.605   4.548 -14.531
  412    HE1  TYR  55           HE1      TYR  55  -2.007   8.056 -12.188
  413    HE2  TYR  55           HE2      TYR  55   1.605   6.769 -14.153
  414    HH   TYR  55           HH       TYR  55   1.287   8.314 -12.214
  415    HA   PRO  56           HA       PRO  56  -2.328  -1.065 -14.207
  416   1HB   PRO  56          1HB       PRO  56  -2.702  -2.462 -11.886
  417   2HB   PRO  56          2HB       PRO  56  -1.125  -1.831 -12.437
  418   1HG   PRO  56          2HG       PRO  56  -3.178  -0.206 -10.793
  419   2HG   PRO  56          1HG       PRO  56  -1.530  -0.749 -10.282
  420   1HD   PRO  56          1HD       PRO  56  -1.701   1.564 -11.329
  421   2HD   PRO  56          2HD       PRO  56  -0.629   0.460 -12.237
  422    H    LYS  57           H        LYS  57  -4.053  -2.814 -14.166
  423    HA   LYS  57           HA       LYS  57  -6.296  -3.625 -13.261
  424   1HB   LYS  57          1HB       LYS  57  -6.984  -1.413 -12.507
  425   2HB   LYS  57          2HB       LYS  57  -6.980  -0.884 -14.198
  426   1HG   LYS  57          1HG       LYS  57  -8.960  -2.076 -14.681
  427   2HG   LYS  57          2HG       LYS  57  -8.707  -3.189 -13.312
  428   1HD   LYS  57          1HD       LYS  57 -10.415  -1.731 -12.647
  429   2HD   LYS  57          2HD       LYS  57  -8.988  -1.320 -11.729
  430   1HE   LYS  57          2HE       LYS  57 -10.264   0.258 -14.011
  431   2HE   LYS  57          1HE       LYS  57 -10.102   0.733 -12.305
  432   1HZ   LYS  57          1HZ       LYS  57  -7.587   0.658 -12.869
  433   2HZ   LYS  57          2HZ       LYS  57  -8.112   0.691 -14.439
  434   3HZ   LYS  57          3HZ       LYS  57  -8.458   1.935 -13.438
  435    H    GLU  58           H        GLU  58  -5.265  -1.535 -15.598
  436    HA   GLU  58           HA       GLU  58  -7.072  -2.387 -17.437
  437   1HB   GLU  58          1HB       GLU  58  -6.079  -0.125 -16.754
  438   2HB   GLU  58          2HB       GLU  58  -5.344  -0.456 -18.378
  439   1HG   GLU  58          1HG       GLU  58  -7.223   0.458 -19.161
  440   2HG   GLU  58          2HG       GLU  58  -7.868  -1.153 -18.885
  441    H    GLY  59           H        GLY  59  -4.491  -3.385 -17.200
  442   1HA   GLY  59          2HA       GLY  59  -3.318  -4.395 -19.545
  443   2HA   GLY  59          1HA       GLY  59  -4.821  -5.306 -19.157
  444    H    ASP  60           H        ASP  60  -4.284  -4.388 -16.099
  445    HA   ASP  60           HA       ASP  60  -2.050  -6.152 -15.401
  446   1HB   ASP  60          1HB       ASP  60  -1.787  -3.318 -15.814
  447   2HB   ASP  60          2HB       ASP  60  -2.011  -3.510 -14.093
  448    H    ASP  61           H        ASP  61  -1.730  -5.762 -13.223
  449    HA   ASP  61           HA       ASP  61  -4.155  -6.656 -11.800
  450   1HB   ASP  61          1HB       ASP  61  -2.773  -8.459 -12.093
  451   2HB   ASP  61          2HB       ASP  61  -1.548  -7.517 -11.287
  452    H    ASP  62           H        ASP  62  -4.759  -4.472 -11.096
  453    HA   ASP  62           HA       ASP  62  -3.068  -3.055  -9.043
  454   1HB   ASP  62          2HB       ASP  62  -4.919  -1.474  -9.045
  455   2HB   ASP  62          1HB       ASP  62  -4.484  -1.822 -10.698
  456    H    SER  63           H        SER  63  -6.335  -4.356  -9.428
  457    HA   SER  63           HA       SER  63  -8.066  -4.669  -7.979
  458   1HB   SER  63          1HB       SER  63  -6.712  -6.954  -8.324
  459   2HB   SER  63          2HB       SER  63  -6.541  -6.852  -6.596
  460    HG   SER  63           HG       SER  63  -8.841  -6.922  -8.244
  461    HA   PRO  64           HA       PRO  64  -6.316  -3.033  -4.018
  462   1HB   PRO  64          1HB       PRO  64  -7.111  -4.331  -1.798
  463   2HB   PRO  64          2HB       PRO  64  -8.274  -3.578  -2.945
  464   1HG   PRO  64          2HG       PRO  64  -7.729  -6.470  -2.664
  465   2HG   PRO  64          1HG       PRO  64  -9.296  -5.610  -2.860
  466   1HD   PRO  64          1HD       PRO  64  -7.611  -6.642  -4.805
  467   2HD   PRO  64          2HD       PRO  64  -8.973  -5.635  -5.245
  468    H    SER  65           H        SER  65  -5.567  -6.013  -4.754
  469    HA   SER  65           HA       SER  65  -3.280  -6.428  -3.079
  470   1HB   SER  65          1HB       SER  65  -3.784  -8.773  -3.925
  471   2HB   SER  65          2HB       SER  65  -4.990  -8.002  -2.861
  472    HG   SER  65           HG       SER  65  -5.117  -8.419  -5.667
  473    H    GLY  66           H        GLY  66  -3.689  -6.633  -6.497
  474   1HA   GLY  66          2HA       GLY  66  -2.456  -6.783  -8.171
  475   2HA   GLY  66          1HA       GLY  66  -1.268  -7.668  -7.349
  476    H    ILE  67           H        ILE  67  -2.789  -4.389  -6.736
  477    HA   ILE  67           HA       ILE  67  -0.513  -3.069  -7.312
  478    HB   ILE  67           HB       ILE  67  -1.389  -1.277  -5.570
  479   1HG1  ILE  67          1HG1      ILE  67  -3.469  -3.427  -5.205
  480   2HG1  ILE  67          2HG1      ILE  67  -2.516  -2.542  -4.096
  481   1HG2  ILE  67          1HG2      ILE  67  -1.998  -1.432  -8.089
  482   2HG2  ILE  67          2HG2      ILE  67  -3.572  -1.997  -7.429
  483   3HG2  ILE  67          3HG2      ILE  67  -2.990  -0.449  -6.969
  484   1HD1  ILE  67          1HD1      ILE  67  -3.834  -0.443  -4.682
  485   2HD1  ILE  67          2HD1      ILE  67  -4.831  -1.389  -5.755
  486   3HD1  ILE  67          3HD1      ILE  67  -4.852  -1.707  -4.046
  487    H    VAL  68           H        VAL  68  -1.333  -4.298  -4.248
  488    HA   VAL  68           HA       VAL  68   1.011  -3.153  -2.942
  489    HB   VAL  68           HB       VAL  68  -0.513  -5.644  -2.045
  490   1HG1  VAL  68          1HG1      VAL  68   1.483  -4.763  -0.622
  491   2HG1  VAL  68          2HG1      VAL  68   0.577  -3.248  -0.446
  492   3HG1  VAL  68          3HG1      VAL  68  -0.073  -4.737   0.241
  493   1HG2  VAL  68          1HG2      VAL  68  -1.359  -2.791  -2.007
  494   2HG2  VAL  68          2HG2      VAL  68  -2.252  -4.224  -2.548
  495   3HG2  VAL  68          3HG2      VAL  68  -2.001  -3.953  -0.829
  496    H    ASN  69           H        ASN  69   0.113  -5.741  -4.748
  497    HA   ASN  69           HA       ASN  69   2.384  -7.589  -4.723
  498   1HB   ASN  69          1HB       ASN  69   0.062  -7.331  -5.961
  499   2HB   ASN  69          2HB       ASN  69   1.255  -8.010  -7.012
  500   2HD2  ASN  69          2HD2      ASN  69  -0.851  -9.627  -6.511
  501   1HD2  ASN  69          1HD2      ASN  69  -0.607 -10.739  -5.171
  502    H    THR  70           H        THR  70   1.575  -4.736  -6.705
  503    HA   THR  70           HA       THR  70   3.654  -5.344  -8.385
  504    HB   THR  70           HB       THR  70   2.331  -2.703  -7.727
  505    HG1  THR  70           HG1      THR  70   0.972  -4.466  -8.651
  506   1HG2  THR  70          1HG2      THR  70   4.437  -2.282  -9.045
  507   2HG2  THR  70          2HG2      THR  70   3.867  -3.426 -10.281
  508   3HG2  THR  70          3HG2      THR  70   2.987  -1.912  -9.997
  509    H    VAL  71           H        VAL  71   3.276  -3.433  -5.543
  510    HA   VAL  71           HA       VAL  71   5.953  -2.465  -5.158
  511    HB   VAL  71           HB       VAL  71   3.501  -2.736  -3.486
  512   1HG1  VAL  71          1HG1      VAL  71   6.068  -3.101  -1.974
  513   2HG1  VAL  71          2HG1      VAL  71   4.565  -2.402  -1.309
  514   3HG1  VAL  71          3HG1      VAL  71   4.584  -4.060  -1.888
  515   1HG2  VAL  71          1HG2      VAL  71   4.589  -0.816  -4.557
  516   2HG2  VAL  71          2HG2      VAL  71   4.404  -0.604  -2.808
  517   3HG2  VAL  71          3HG2      VAL  71   6.009  -1.058  -3.531
  518    H    LYS  72           H        LYS  72   4.344  -5.346  -4.201
  519    HA   LYS  72           HA       LYS  72   6.478  -6.581  -2.867
  520   1HB   LYS  72          1HB       LYS  72   3.945  -7.363  -3.770
  521   2HB   LYS  72          2HB       LYS  72   4.990  -8.659  -4.365
  522   1HG   LYS  72          1HG       LYS  72   4.608  -9.218  -2.138
  523   2HG   LYS  72          2HG       LYS  72   6.114  -8.310  -1.989
  524   1HD   LYS  72          1HD       LYS  72   5.082  -6.946  -0.665
  525   2HD   LYS  72          2HD       LYS  72   4.403  -6.209  -1.938
  526   1HE   LYS  72          1HE       LYS  72   2.737  -7.225  -0.035
  527   2HE   LYS  72          2HE       LYS  72   2.298  -6.568  -1.587
  528   1HZ   LYS  72          1HZ       LYS  72   2.871  -9.413  -1.128
  529   2HZ   LYS  72          2HZ       LYS  72   1.405  -8.839  -1.043
  530   3HZ   LYS  72          3HZ       LYS  72   2.169  -8.795  -2.514
  531    H    GLN  73           H        GLN  73   6.502  -6.015  -5.873
  532    HA   GLN  73           HA       GLN  73   8.378  -7.914  -6.670
  533   1HB   GLN  73          1HB       GLN  73   6.520  -6.358  -8.463
  534   2HB   GLN  73          2HB       GLN  73   7.716  -7.548  -9.041
  535   1HG   GLN  73          1HG       GLN  73   6.734  -9.175  -7.345
  536   2HG   GLN  73          2HG       GLN  73   5.593  -8.113  -6.939
  537   2HE2  GLN  73          2HE2      GLN  73   3.719  -7.915  -8.035
  538   1HE2  GLN  73          1HE2      GLN  73   3.326  -8.784  -9.524
  539    H    TRP  74           H        TRP  74   7.795  -4.475  -6.864
  540    HA   TRP  74           HA       TRP  74  10.420  -3.554  -7.649
  541   1HB   TRP  74          1HB       TRP  74   8.336  -2.224  -7.685
  542   2HB   TRP  74          2HB       TRP  74   8.641  -2.115  -5.944
  543    HD1  TRP  74           HD1      TRP  74  10.105  -1.259  -9.274
  544    HE1  TRP  74           HE1      TRP  74  12.201   0.214  -9.162
  545    HE3  TRP  74           HE3      TRP  74  10.049  -0.549  -4.342
  546    HZ2  TRP  74           HZ2      TRP  74  13.538   1.735  -7.093
  547    HZ3  TRP  74           HZ3      TRP  74  11.360   1.202  -3.420
  548    HH2  TRP  74           HH2      TRP  74  13.183   2.383  -4.722
  549    H    ARG  75           H        ARG  75   8.804  -3.579  -4.439
  550    HA   ARG  75           HA       ARG  75  11.181  -3.427  -2.889
  551   1HB   ARG  75          1HB       ARG  75   8.273  -4.424  -2.268
  552   2HB   ARG  75          2HB       ARG  75   9.429  -4.555  -1.064
  553   1HG   ARG  75          1HG       ARG  75   9.544  -1.747  -1.672
  554   2HG   ARG  75          2HG       ARG  75   7.949  -2.196  -1.960
  555   1HD   ARG  75          1HD       ARG  75   7.892  -1.537   0.247
  556   2HD   ARG  75          2HD       ARG  75   7.987  -3.301   0.402
  557    HE   ARG  75           HE       ARG  75   9.855  -3.083   1.568
  558   1HH1  ARG  75          1HH1      ARG  75   9.398   0.115  -0.063
  559   2HH1  ARG  75          2HH1      ARG  75  10.550   0.866   1.013
  560   1HH2  ARG  75          1HH2      ARG  75  11.443  -1.689   2.993
  561   2HH2  ARG  75          2HH2      ARG  75  11.658  -0.063   2.430
  562    H    ALA  76           H        ALA  76  10.170  -5.975  -4.649
  563    HA   ALA  76           HA       ALA  76  11.668  -7.783  -2.855
  564   1HB   ALA  76          1HB       ALA  76   9.828  -8.573  -5.109
  565   2HB   ALA  76          3HB       ALA  76  10.730  -9.721  -4.114
  566   3HB   ALA  76          2HB       ALA  76   9.494  -8.714  -3.346
  567    H    ALA  77           H        ALA  77  11.722  -6.350  -5.823
  568    HA   ALA  77           HA       ALA  77  13.996  -8.008  -6.725
  569   1HB   ALA  77          1HB       ALA  77  12.236  -7.332  -8.435
  570   2HB   ALA  77          3HB       ALA  77  12.578  -5.627  -8.080
  571   3HB   ALA  77          2HB       ALA  77  13.812  -6.620  -8.873
  572    H    ASN  78           H        ASN  78  13.278  -4.832  -5.738
  573    HA   ASN  78           HA       ASN  78  16.012  -4.002  -5.518
  574   1HB   ASN  78          1HB       ASN  78  13.717  -2.665  -5.797
  575   2HB   ASN  78          2HB       ASN  78  13.461  -3.075  -4.176
  576   2HD2  ASN  78          2HD2      ASN  78  16.297  -2.616  -3.120
  577   1HD2  ASN  78          1HD2      ASN  78  16.611  -0.908  -3.373
  578    H    GLY  79           H        GLY  79  13.871  -5.855  -4.056
  579   1HA   GLY  79          2HA       GLY  79  15.607  -7.014  -2.046
  580   2HA   GLY  79          1HA       GLY  79  13.858  -7.290  -2.102
  581    H    LYS  80           H        LYS  80  13.326  -4.465  -2.002
  582    HA   LYS  80           HA       LYS  80  14.371  -2.615  -0.391
  583   1HB   LYS  80          1HB       LYS  80  11.579  -3.135  -0.198
  584   2HB   LYS  80          2HB       LYS  80  12.491  -1.674   0.359
  585   1HG   LYS  80          1HG       LYS  80  12.856  -2.697  -2.344
  586   2HG   LYS  80          2HG       LYS  80  11.451  -1.819  -2.011
  587   1HD   LYS  80          1HD       LYS  80  13.976  -0.989  -1.871
  588   2HD   LYS  80          2HD       LYS  80  13.041  -0.805  -3.214
  589   1HE   LYS  80          1HE       LYS  80  11.404   0.481  -1.876
  590   2HE   LYS  80          2HE       LYS  80  12.314   0.304  -0.540
  591   1HZ   LYS  80          1HZ       LYS  80  13.688   1.622  -2.735
  592   2HZ   LYS  80          2HZ       LYS  80  12.532   2.476  -1.938
  593   3HZ   LYS  80          3HZ       LYS  80  13.821   1.912  -1.090
  594    H    SER  81           H        SER  81  11.977  -4.479   0.988
  595    HA   SER  81           HA       SER  81  12.623  -5.774   3.432
  596   1HB   SER  81          1HB       SER  81  10.913  -3.883   4.264
  597   2HB   SER  81          2HB       SER  81  12.425  -4.423   4.986
  598    HG   SER  81           HG       SER  81  13.521  -2.879   3.632
  599    H    GLY  82           H        GLY  82  11.205  -6.957   3.968
  600   1HA   GLY  82          2HA       GLY  82   9.664  -8.491   2.702
  601   2HA   GLY  82          1HA       GLY  82   8.627  -7.081   2.512
  602    H    PHE  83           H        PHE  83   8.760  -5.766   4.677
  603    HA   PHE  83           HA       PHE  83   7.783  -5.279   6.419
  604   1HB   PHE  83          2HB       PHE  83   6.209  -7.739   5.705
  605   2HB   PHE  83          1HB       PHE  83   5.804  -6.279   6.636
  606    HD1  PHE  83           HD1      PHE  83   6.513  -7.543   3.373
  607    HD2  PHE  83           HD2      PHE  83   4.402  -4.709   5.727
  608    HE1  PHE  83           HE1      PHE  83   5.841  -6.479   1.340
  609    HE2  PHE  83           HE2      PHE  83   3.512  -3.719   3.791
  610    HZ   PHE  83           HZ       PHE  83   4.223  -4.493   1.413
  611    H    LYS  84           H        LYS  84   6.694  -8.026   7.196
  612    HA   LYS  84           HA       LYS  84   7.570  -8.756   9.780
  613   1HB   LYS  84          1HB       LYS  84   6.704  -6.448   9.824
  614   2HB   LYS  84          2HB       LYS  84   5.202  -7.316   9.632
  615   1HG   LYS  84          1HG       LYS  84   5.545  -8.739  11.501
  616   2HG   LYS  84          2HG       LYS  84   7.191  -8.136  11.722
  617   1HD   LYS  84          1HD       LYS  84   5.971  -7.079  13.313
  618   2HD   LYS  84          2HD       LYS  84   6.323  -5.906  12.014
  619   1HE   LYS  84          2HE       LYS  84   4.105  -5.390  12.697
  620   2HE   LYS  84          1HE       LYS  84   3.960  -6.249  11.177
  621   1HZ   LYS  84          1HZ       LYS  84   3.439  -8.264  12.705
  622   2HZ   LYS  84          2HZ       LYS  84   3.220  -7.161  13.860
  623   3HZ   LYS  84          3HZ       LYS  84   2.332  -7.062  12.483
  624    H    GLN  85           H        GLN  85   5.949 -10.226  10.370
  625    HA   GLN  85           HA       GLN  85   4.772 -11.826   8.151
  626   1HB   GLN  85          1HB       GLN  85   6.805 -12.531   9.455
  627   2HB   GLN  85          2HB       GLN  85   5.438 -13.669   9.715
  628   1HG   GLN  85          1HG       GLN  85   5.247 -14.028   7.377
  629   2HG   GLN  85          2HG       GLN  85   6.383 -12.709   7.026
  630   2HE2  GLN  85          2HE2      GLN  85   8.250 -13.571   6.168
  631   1HE2  GLN  85          1HE2      GLN  85   9.037 -15.008   6.819
  632    H    GLY  86           H        GLY  86   4.773 -11.628  11.592
  633   1HA   GLY  86          2HA       GLY  86   2.722 -12.512  12.866
  634   2HA   GLY  86          1HA       GLY  86   1.838 -11.547  11.649

  No H/Q in entry =         634
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -4.669  -2.336  10.057
    2    H2   MET   1           H2       MET   1  -3.180  -1.651   9.985
    3    H3   MET   1           H3       MET   1  -3.368  -3.321  10.001
    4    HA   MET   1           HA       MET   1  -4.354  -3.203  12.152
    5   1HB   MET   1          1HB       MET   1  -2.365  -2.596  13.485
    6   2HB   MET   1          2HB       MET   1  -2.208  -3.873  12.285
    7   1HG   MET   1          1HG       MET   1  -0.968  -2.126  10.872
    8   2HG   MET   1          2HG       MET   1  -0.830  -1.245  12.381
    9   1HE   MET   1          1HE       MET   1  -0.075  -2.892  14.778
   10   2HE   MET   1          2HE       MET   1  -0.914  -4.345  14.186
   11   3HE   MET   1          3HE       MET   1   0.809  -4.420  14.562
   12    H    GLU   2           H        GLU   2  -2.625  -0.668  13.424
   13    HA   GLU   2           HA       GLU   2  -4.538   1.355  12.525
   14   1HB   GLU   2          1HB       GLU   2  -1.885   2.377  13.040
   15   2HB   GLU   2          2HB       GLU   2  -3.439   2.736  13.766
   16   1HG   GLU   2          2HG       GLU   2  -1.943   2.247  15.513
   17   2HG   GLU   2          1HG       GLU   2  -3.045   0.882  15.411
   18    H    LEU   3           H        LEU   3  -0.964   1.182  11.635
   19    HA   LEU   3           HA       LEU   3  -1.150   1.015   8.959
   20   1HB   LEU   3          1HB       LEU   3  -1.677   3.347  10.689
   21   2HB   LEU   3          2HB       LEU   3  -0.304   3.604   9.643
   22    HG   LEU   3           HG       LEU   3  -2.949   2.590   8.540
   23   1HD1  LEU   3          1HD1      LEU   3  -2.088   5.324   9.455
   24   2HD1  LEU   3          2HD1      LEU   3  -3.150   5.199   8.082
   25   3HD1  LEU   3          3HD1      LEU   3  -3.626   4.487   9.590
   26   1HD2  LEU   3          1HD2      LEU   3  -0.325   3.473   7.343
   27   2HD2  LEU   3          2HD2      LEU   3  -1.229   2.016   7.087
   28   3HD2  LEU   3          3HD2      LEU   3  -1.852   3.506   6.414
   29    H    LYS   4           H        LYS   4   1.309   3.012   9.807
   30    HA   LYS   4           HA       LYS   4   2.824   2.103  11.933
   31   1HB   LYS   4          1HB       LYS   4   2.899   0.056   9.911
   32   2HB   LYS   4          2HB       LYS   4   4.436   0.799  10.175
   33   1HG   LYS   4          1HG       LYS   4   4.196  -0.935  11.709
   34   2HG   LYS   4          2HG       LYS   4   4.330   0.607  12.558
   35   1HD   LYS   4          1HD       LYS   4   1.837   0.471  12.814
   36   2HD   LYS   4          2HD       LYS   4   1.963  -1.182  12.193
   37   1HE   LYS   4          1HE       LYS   4   3.648  -0.372  14.514
   38   2HE   LYS   4          2HE       LYS   4   1.876  -0.637  14.742
   39   1HZ   LYS   4          1HZ       LYS   4   2.137  -2.788  13.855
   40   2HZ   LYS   4          2HZ       LYS   4   3.760  -2.610  13.678
   41   3HZ   LYS   4          3HZ       LYS   4   3.108  -2.601  15.190
   42    H    HIS   5           H        HIS   5   5.133   2.269  11.621
   43    HA   HIS   5           HA       HIS   5   5.650   4.967  10.653
   44   1HB   HIS   5          2HB       HIS   5   7.847   3.531  12.012
   45   2HB   HIS   5          1HB       HIS   5   7.164   5.090  12.354
   46    HD1  HIS   5           HD1      HIS   5   4.725   4.831  13.965
   47    HD2  HIS   5           HD2      HIS   5   7.194   1.507  13.298
   48    HE1  HIS   5           HE1      HIS   5   3.842   2.980  15.502
   49    H    SER   6           H        SER   6   6.429   1.829  10.133
   50    HA   SER   6           HA       SER   6   8.114   2.239   7.842
   51   1HB   SER   6          1HB       SER   6   8.590  -0.213   8.847
   52   2HB   SER   6          2HB       SER   6   9.528   1.252   9.029
   53    HG   SER   6           HG       SER   6   8.960   0.211  11.209
   54    H    ILE   7           H        ILE   7   7.905   0.746   6.253
   55    HA   ILE   7           HA       ILE   7   5.526  -0.725   5.960
   56    HB   ILE   7           HB       ILE   7   7.542  -0.037   4.374
   57   1HG1  ILE   7          1HG1      ILE   7   5.948  -2.558   4.051
   58   2HG1  ILE   7          2HG1      ILE   7   5.378  -0.902   3.725
   59   1HG2  ILE   7          1HG2      ILE   7   9.230  -1.552   5.537
   60   2HG2  ILE   7          2HG2      ILE   7   8.366  -2.935   4.812
   61   3HG2  ILE   7          3HG2      ILE   7   9.120  -1.697   3.790
   62   1HD1  ILE   7          1HD1      ILE   7   7.385  -0.741   2.175
   63   2HD1  ILE   7          2HD1      ILE   7   7.487  -2.518   2.385
   64   3HD1  ILE   7          3HD1      ILE   7   6.017  -1.792   1.664
   65    H    SER   8           H        SER   8   7.859  -1.332   8.247
   66    HA   SER   8           HA       SER   8   7.603  -4.174   8.172
   67   1HB   SER   8          1HB       SER   8   9.495  -4.154   7.656
   68   2HB   SER   8          2HB       SER   8   9.424  -2.509   7.465
   69    HG   SER   8           HG       SER   8  10.256  -3.702   9.883
   70    H    ASP   9           H        ASP   9   7.080  -1.329  10.173
   71    HA   ASP   9           HA       ASP   9   7.146  -3.205  12.496
   72   1HB   ASP   9          1HB       ASP   9   6.318  -0.291  12.159
   73   2HB   ASP   9          2HB       ASP   9   5.549  -1.214  13.425
   74    H    TYR  10           H        TYR  10   5.327  -2.733   9.674
   75    HA   TYR  10           HA       TYR  10   3.030  -4.029  11.096
   76   1HB   TYR  10          2HB       TYR  10   1.429  -3.333   9.627
   77   2HB   TYR  10          1HB       TYR  10   2.244  -1.967  10.251
   78    HD1  TYR  10           HD1      TYR  10   4.129  -3.379   7.421
   79    HD2  TYR  10           HD2      TYR  10   0.686  -0.975   8.430
   80    HE1  TYR  10           HE1      TYR  10   4.230  -2.384   5.316
   81    HE2  TYR  10           HE2      TYR  10   0.897   0.173   6.266
   82    HH   TYR  10           HH       TYR  10   2.222   0.247   4.152
   83    H    THR  11           H        THR  11   1.962  -5.633   9.191
   84    HA   THR  11           HA       THR  11   4.291  -7.064   7.949
   85    HB   THR  11           HB       THR  11   3.282  -9.038   8.465
   86    HG1  THR  11           HG1      THR  11   0.929  -9.154   8.954
   87   1HG2  THR  11          1HG2      THR  11   3.646  -8.137  10.673
   88   2HG2  THR  11          2HG2      THR  11   2.014  -7.423  10.690
   89   3HG2  THR  11          3HG2      THR  11   2.238  -9.174  10.654
   90    H    GLU  12           H        GLU  12   3.337  -8.523   6.113
   91    HA   GLU  12           HA       GLU  12   2.910  -6.550   4.121
   92   1HB   GLU  12          1HB       GLU  12   4.234  -8.866   4.221
   93   2HB   GLU  12          2HB       GLU  12   2.696  -9.526   3.602
   94   1HG   GLU  12          1HG       GLU  12   2.741  -7.746   1.850
   95   2HG   GLU  12          2HG       GLU  12   4.192  -7.137   2.488
   96    H    ALA  13           H        ALA  13   0.706  -8.468   5.800
   97    HA   ALA  13           HA       ALA  13  -1.520  -8.247   3.825
   98   1HB   ALA  13          1HB       ALA  13  -1.290 -10.460   4.951
   99   2HB   ALA  13          3HB       ALA  13  -1.388  -9.657   6.539
  100   3HB   ALA  13          2HB       ALA  13  -2.782  -9.630   5.442
  101    H    GLU  14           H        GLU  14  -0.195  -7.107   6.862
  102    HA   GLU  14           HA       GLU  14  -2.122  -5.402   7.867
  103   1HB   GLU  14          1HB       GLU  14   0.488  -6.068   8.305
  104   2HB   GLU  14          2HB       GLU  14   0.546  -4.375   7.904
  105   1HG   GLU  14          1HG       GLU  14  -0.014  -4.937  10.225
  106   2HG   GLU  14          2HG       GLU  14  -1.122  -3.773   9.525
  107    H    PHE  15           H        PHE  15   0.341  -4.809   5.423
  108    HA   PHE  15           HA       PHE  15  -0.575  -2.130   4.862
  109   1HB   PHE  15          1HB       PHE  15   1.706  -3.072   4.501
  110   2HB   PHE  15          2HB       PHE  15   1.097  -4.062   3.193
  111    HD1  PHE  15           HD1      PHE  15  -0.147  -0.519   3.629
  112    HD2  PHE  15           HD2      PHE  15   2.591  -3.156   1.575
  113    HE1  PHE  15           HE1      PHE  15   0.611   1.343   2.259
  114    HE2  PHE  15           HE2      PHE  15   3.372  -1.246   0.202
  115    HZ   PHE  15           HZ       PHE  15   2.432   1.008   0.606
  116    H    LEU  16           H        LEU  16  -1.167  -5.369   3.601
  117    HA   LEU  16           HA       LEU  16  -2.227  -4.481   1.047
  118   1HB   LEU  16          1HB       LEU  16  -1.391  -6.719   1.613
  119   2HB   LEU  16          2HB       LEU  16  -2.777  -6.938   2.697
  120    HG   LEU  16           HG       LEU  16  -4.288  -7.286   1.047
  121   1HD1  LEU  16          1HD1      LEU  16  -3.768  -5.267  -0.388
  122   2HD1  LEU  16          2HD1      LEU  16  -2.505  -6.238  -1.169
  123   3HD1  LEU  16          3HD1      LEU  16  -4.228  -6.706  -1.221
  124   1HD2  LEU  16          1HD2      LEU  16  -2.517  -9.109   0.946
  125   2HD2  LEU  16          2HD2      LEU  16  -3.264  -8.877  -0.639
  126   3HD2  LEU  16          3HD2      LEU  16  -1.646  -8.208  -0.311
  127    H    GLN  17           H        GLN  17  -3.539  -4.933   4.275
  128    HA   GLN  17           HA       GLN  17  -6.116  -4.790   3.639
  129   1HB   GLN  17          1HB       GLN  17  -5.554  -5.834   5.719
  130   2HB   GLN  17          2HB       GLN  17  -4.283  -4.640   6.009
  131   1HG   GLN  17          1HG       GLN  17  -5.996  -2.963   6.585
  132   2HG   GLN  17          2HG       GLN  17  -7.192  -4.276   6.578
  133   2HE2  GLN  17          2HE2      GLN  17  -4.927  -6.166   7.702
  134   1HE2  GLN  17          1HE2      GLN  17  -4.564  -5.564   9.310
  135    H    LEU  18           H        LEU  18  -3.555  -2.527   4.350
  136    HA   LEU  18           HA       LEU  18  -5.206  -0.388   4.962
  137   1HB   LEU  18          1HB       LEU  18  -2.912  -0.636   5.572
  138   2HB   LEU  18          2HB       LEU  18  -2.446  -0.224   3.909
  139    HG   LEU  18           HG       LEU  18  -2.750   1.645   5.610
  140   1HD1  LEU  18          1HD1      LEU  18  -2.634   1.844   3.065
  141   2HD1  LEU  18          2HD1      LEU  18  -4.342   2.271   3.223
  142   3HD1  LEU  18          3HD1      LEU  18  -3.083   3.241   4.004
  143   1HD2  LEU  18          1HD2      LEU  18  -4.641   0.847   6.775
  144   2HD2  LEU  18          2HD2      LEU  18  -4.605   2.554   6.467
  145   3HD2  LEU  18          3HD2      LEU  18  -5.646   1.514   5.485
  146    H    VAL  19           H        VAL  19  -3.745  -1.603   2.055
  147    HA   VAL  19           HA       VAL  19  -4.314   0.388  -0.078
  148    HB   VAL  19           HB       VAL  19  -3.800  -2.549  -0.065
  149   1HG1  VAL  19          1HG1      VAL  19  -4.159  -0.436  -2.232
  150   2HG1  VAL  19          2HG1      VAL  19  -3.491  -2.057  -2.453
  151   3HG1  VAL  19          3HG1      VAL  19  -5.160  -1.889  -1.987
  152   1HG2  VAL  19          1HG2      VAL  19  -2.172  -0.246   0.460
  153   2HG2  VAL  19          2HG2      VAL  19  -1.633  -1.868   0.090
  154   3HG2  VAL  19          3HG2      VAL  19  -1.899  -0.681  -1.222
  155    H    THR  20           H        THR  20  -5.927  -2.611   1.389
  156    HA   THR  20           HA       THR  20  -8.171  -2.576  -0.359
  157    HB   THR  20           HB       THR  20  -6.966  -4.436   1.335
  158    HG1  THR  20           HG1      THR  20  -9.504  -4.505   0.108
  159   1HG2  THR  20          1HG2      THR  20  -8.273  -3.741   3.329
  160   2HG2  THR  20          2HG2      THR  20  -9.722  -4.231   2.477
  161   3HG2  THR  20          3HG2      THR  20  -8.408  -5.404   2.820
  162    H    THR  21           H        THR  21  -7.621  -1.032   2.809
  163    HA   THR  21           HA       THR  21 -10.308  -0.188   3.308
  164    HB   THR  21           HB       THR  21  -7.548   0.179   4.241
  165    HG1  THR  21           HG1      THR  21  -9.980   0.013   5.693
  166   1HG2  THR  21          1HG2      THR  21  -9.348   2.604   4.532
  167   2HG2  THR  21          2HG2      THR  21  -7.953   2.243   5.546
  168   3HG2  THR  21          3HG2      THR  21  -7.767   2.485   3.794
  169    H    ILE  22           H        ILE  22  -7.769   0.908   1.125
  170    HA   ILE  22           HA       ILE  22  -8.967   3.521   0.634
  171    HB   ILE  22           HB       ILE  22  -6.824   2.374  -1.163
  172   1HG1  ILE  22          1HG1      ILE  22  -6.463   3.171   1.721
  173   2HG1  ILE  22          2HG1      ILE  22  -5.779   1.836   0.765
  174   1HG2  ILE  22          1HG2      ILE  22  -8.000   4.587  -1.553
  175   2HG2  ILE  22          2HG2      ILE  22  -7.200   5.177  -0.066
  176   3HG2  ILE  22          3HG2      ILE  22  -6.247   4.641  -1.471
  177   1HD1  ILE  22          1HD1      ILE  22  -4.396   3.443  -0.485
  178   2HD1  ILE  22          2HD1      ILE  22  -5.025   4.701   0.614
  179   3HD1  ILE  22          3HD1      ILE  22  -4.051   3.364   1.259
  180    H    CYS  23           H        CYS  23  -8.296   0.499  -1.198
  181    HA   CYS  23           HA       CYS  23 -10.233   0.926  -3.245
  182   1HB   CYS  23          2HB       CYS  23  -9.373  -1.812  -2.144
  183   2HB   CYS  23          1HB       CYS  23 -10.044  -1.422  -3.695
  184    H    ASN  24           H        ASN  24 -10.636   0.659   0.138
  185    HA   ASN  24           HA       ASN  24 -13.579   0.157  -0.504
  186   1HB   ASN  24          1HB       ASN  24 -12.643  -1.559   0.925
  187   2HB   ASN  24          2HB       ASN  24 -12.324  -0.378   2.179
  188   2HD2  ASN  24          2HD2      ASN  24 -14.101  -0.498   3.863
  189   1HD2  ASN  24          1HD2      ASN  24 -15.706  -0.813   3.316
  190    H    ALA  25           H        ALA  25 -11.556   2.714   0.666
  191    HA   ALA  25           HA       ALA  25 -11.967   4.868   1.448
  192   1HB   ALA  25          1HB       ALA  25 -14.630   4.368  -0.065
  193   2HB   ALA  25          3HB       ALA  25 -14.114   5.938   0.519
  194   3HB   ALA  25          2HB       ALA  25 -13.169   5.115  -0.742
  195    H    ASP  26           H        ASP  26 -12.525   2.596   2.829
  196    HA   ASP  26           HA       ASP  26 -14.394   2.168   4.749
  197   1HB   ASP  26          1HB       ASP  26 -12.607   1.027   3.709
  198   2HB   ASP  26          2HB       ASP  26 -11.430   1.858   4.689
  199    H    THR  27           H        THR  27 -13.177   4.793   4.494
  200    HA   THR  27           HA       THR  27 -11.845   5.536   7.046
  201    HB   THR  27           HB       THR  27 -10.512   6.896   5.790
  202    HG1  THR  27           HG1      THR  27 -12.371   6.538   3.697
  203   1HG2  THR  27          1HG2      THR  27  -9.923   4.577   5.448
  204   2HG2  THR  27          2HG2      THR  27 -10.850   4.560   3.923
  205   3HG2  THR  27          3HG2      THR  27  -9.456   5.635   4.102
  206    H    SER  28           H        SER  28 -11.586   8.186   6.954
  207    HA   SER  28           HA       SER  28 -13.995   9.333   7.837
  208   1HB   SER  28          1HB       SER  28 -12.705  11.437   7.423
  209   2HB   SER  28          2HB       SER  28 -11.907  10.170   8.436
  210    HG   SER  28           HG       SER  28 -10.588  11.258   6.948
  211    H    SER  29           H        SER  29 -12.734   8.755   4.813
  212    HA   SER  29           HA       SER  29 -14.415   8.038   3.220
  213   1HB   SER  29          1HB       SER  29 -15.806  10.239   3.847
  214   2HB   SER  29          2HB       SER  29 -16.335   9.093   2.646
  215    HG   SER  29           HG       SER  29 -15.769   7.996   5.151
  216    H    GLU  30           H        GLU  30 -12.493  10.511   3.269
  217    HA   GLU  30           HA       GLU  30 -12.144  10.146   0.617
  218   1HB   GLU  30          1HB       GLU  30 -14.000  11.991   0.538
  219   2HB   GLU  30          2HB       GLU  30 -12.824  13.089   1.239
  220   1HG   GLU  30          1HG       GLU  30 -11.475  12.970  -0.844
  221   2HG   GLU  30          2HG       GLU  30 -12.605  11.784  -1.509
  222    H    GLU  31           H        GLU  31 -11.214  11.249   3.473
  223    HA   GLU  31           HA       GLU  31  -9.006  12.826   2.896
  224   1HB   GLU  31          1HB       GLU  31 -11.186  12.919   4.278
  225   2HB   GLU  31          2HB       GLU  31 -10.229  11.955   5.074
  226   1HG   GLU  31          1HG       GLU  31  -8.421  13.800   5.183
  227   2HG   GLU  31          2HG       GLU  31  -9.855  14.834   4.917
  228    H    GLU  32           H        GLU  32  -9.584  10.559   5.212
  229    HA   GLU  32           HA       GLU  32  -7.055   9.335   5.783
  230   1HB   GLU  32          1HB       GLU  32  -9.744   8.606   5.828
  231   2HB   GLU  32          2HB       GLU  32  -8.511   7.301   5.905
  232   1HG   GLU  32          1HG       GLU  32  -8.592   9.777   7.635
  233   2HG   GLU  32          2HG       GLU  32  -9.247   8.231   8.094
  234    H    LEU  33           H        LEU  33  -9.279   9.327   2.942
  235    HA   LEU  33           HA       LEU  33  -8.119   6.945   1.828
  236   1HB   LEU  33          1HB       LEU  33  -9.966   9.135   0.950
  237   2HB   LEU  33          2HB       LEU  33  -9.238   8.202  -0.330
  238    HG   LEU  33           HG       LEU  33 -10.119   6.588   2.087
  239   1HD1  LEU  33          1HD1      LEU  33 -11.783   8.368   1.914
  240   2HD1  LEU  33          2HD1      LEU  33 -12.187   7.917   0.233
  241   3HD1  LEU  33          3HD1      LEU  33 -12.508   6.844   1.615
  242   1HD2  LEU  33          1HD2      LEU  33  -9.235   6.019  -0.436
  243   2HD2  LEU  33          2HD2      LEU  33 -10.435   4.979   0.251
  244   3HD2  LEU  33          3HD2      LEU  33 -10.913   6.247  -0.891
  245    H    VAL  34           H        VAL  34  -7.714  10.422   1.081
  246    HA   VAL  34           HA       VAL  34  -5.493  10.251  -0.668
  247    HB   VAL  34           HB       VAL  34  -6.683  12.259   1.010
  248   1HG1  VAL  34          1HG1      VAL  34  -4.245  12.726  -0.749
  249   2HG1  VAL  34          2HG1      VAL  34  -5.264  14.028  -0.087
  250   3HG1  VAL  34          3HG1      VAL  34  -4.342  12.988   1.004
  251   1HG2  VAL  34          1HG2      VAL  34  -7.848  11.597  -1.042
  252   2HG2  VAL  34          2HG2      VAL  34  -7.313  13.279  -1.129
  253   3HG2  VAL  34          3HG2      VAL  34  -6.402  12.011  -1.990
  254    H    LYS  35           H        LYS  35  -5.831   9.974   2.786
  255    HA   LYS  35           HA       LYS  35  -2.985  10.527   3.394
  256   1HB   LYS  35          1HB       LYS  35  -4.383  11.563   4.836
  257   2HB   LYS  35          2HB       LYS  35  -5.477  10.181   4.917
  258   1HG   LYS  35          1HG       LYS  35  -3.859   8.849   6.018
  259   2HG   LYS  35          2HG       LYS  35  -2.658  10.160   5.993
  260   1HD   LYS  35          1HD       LYS  35  -3.950  11.513   7.436
  261   2HD   LYS  35          2HD       LYS  35  -5.388  10.473   7.211
  262   1HE   LYS  35          1HE       LYS  35  -3.942   8.548   8.123
  263   2HE   LYS  35          2HE       LYS  35  -2.828   9.798   8.735
  264   1HZ   LYS  35          1HZ       LYS  35  -4.937  10.650   9.895
  265   2HZ   LYS  35          2HZ       LYS  35  -5.635   9.257   9.384
  266   3HZ   LYS  35          3HZ       LYS  35  -4.417   9.139  10.409
  267    H    LEU  36           H        LEU  36  -5.256   7.582   3.194
  268    HA   LEU  36           HA       LEU  36  -3.163   5.912   4.062
  269   1HB   LEU  36          1HB       LEU  36  -5.990   5.659   2.905
  270   2HB   LEU  36          2HB       LEU  36  -5.050   4.265   3.246
  271    HG   LEU  36           HG       LEU  36  -5.851   6.298   5.280
  272   1HD1  LEU  36          1HD1      LEU  36  -7.460   4.677   4.581
  273   2HD1  LEU  36          2HD1      LEU  36  -6.247   3.431   4.965
  274   3HD1  LEU  36          3HD1      LEU  36  -6.954   4.419   6.276
  275   1HD2  LEU  36          1HD2      LEU  36  -3.755   4.331   5.675
  276   2HD2  LEU  36          2HD2      LEU  36  -3.888   6.042   6.142
  277   3HD2  LEU  36          3HD2      LEU  36  -4.891   4.846   6.961
  278    H    VAL  37           H        VAL  37  -4.321   7.345   1.086
  279    HA   VAL  37           HA       VAL  37  -2.947   5.701  -0.700
  280    HB   VAL  37           HB       VAL  37  -4.006   8.500  -0.680
  281   1HG1  VAL  37          1HG1      VAL  37  -2.075   7.751  -2.883
  282   2HG1  VAL  37          2HG1      VAL  37  -3.219   9.112  -2.910
  283   3HG1  VAL  37          3HG1      VAL  37  -1.922   9.102  -1.731
  284   1HG2  VAL  37          1HG2      VAL  37  -5.375   6.623  -1.378
  285   2HG2  VAL  37          2HG2      VAL  37  -5.176   7.789  -2.684
  286   3HG2  VAL  37          3HG2      VAL  37  -4.246   6.279  -2.706
  287    H    THR  38           H        THR  38  -1.970   8.611   1.063
  288    HA   THR  38           HA       THR  38   0.644   8.719   0.127
  289    HB   THR  38           HB       THR  38  -1.011  10.194   1.539
  290    HG1  THR  38           HG1      THR  38   0.569  10.578  -0.341
  291   1HG2  THR  38          1HG2      THR  38   0.151   9.797   3.654
  292   2HG2  THR  38          2HG2      THR  38   1.700  10.229   2.887
  293   3HG2  THR  38          3HG2      THR  38   0.439  11.460   3.109
  294    H    HIS  39           H        HIS  39  -0.756   7.237   3.228
  295    HA   HIS  39           HA       HIS  39   1.707   6.359   4.140
  296   1HB   HIS  39          1HB       HIS  39  -1.130   5.828   4.448
  297   2HB   HIS  39          2HB       HIS  39  -0.307   4.322   4.574
  298    HD1  HIS  39           HD1      HIS  39   2.333   5.477   6.202
  299    HD2  HIS  39           HD2      HIS  39  -1.738   5.586   6.732
  300    HE1  HIS  39           HE1      HIS  39   1.969   5.644   8.729
  301    H    PHE  40           H        PHE  40  -0.097   5.217   1.298
  302    HA   PHE  40           HA       PHE  40   1.646   2.864   1.119
  303   1HB   PHE  40          1HB       PHE  40  -0.549   3.140  -0.185
  304   2HB   PHE  40          2HB       PHE  40   0.350   4.172  -1.288
  305    HD1  PHE  40           HD1      PHE  40   2.666   3.165  -2.225
  306    HD2  PHE  40           HD2      PHE  40  -0.398   0.855  -0.342
  307    HE1  PHE  40           HE1      PHE  40   3.400   1.163  -3.483
  308    HE2  PHE  40           HE2      PHE  40   0.265  -1.160  -1.691
  309    HZ   PHE  40           HZ       PHE  40   2.120  -0.978  -3.309
  310    H    GLU  41           H        GLU  41   1.530   5.961  -0.571
  311    HA   GLU  41           HA       GLU  41   3.851   5.888  -2.028
  312   1HB   GLU  41          1HB       GLU  41   2.863   8.236  -0.823
  313   2HB   GLU  41          2HB       GLU  41   3.780   8.113  -2.338
  314   1HG   GLU  41          1HG       GLU  41   1.861   7.061  -3.390
  315   2HG   GLU  41          2HG       GLU  41   0.945   7.182  -1.915
  316    H    GLU  42           H        GLU  42   3.627   6.430   1.393
  317    HA   GLU  42           HA       GLU  42   6.199   7.539   1.875
  318   1HB   GLU  42          1HB       GLU  42   4.218   8.031   3.194
  319   2HB   GLU  42          2HB       GLU  42   4.430   6.398   3.543
  320   1HG   GLU  42          1HG       GLU  42   5.930   8.669   4.635
  321   2HG   GLU  42          2HG       GLU  42   5.218   7.305   5.479
  322    H    MET  43           H        MET  43   4.543   4.692   2.823
  323    HA   MET  43           HA       MET  43   6.426   3.456   4.143
  324   1HB   MET  43          1HB       MET  43   3.950   2.587   2.773
  325   2HB   MET  43          2HB       MET  43   4.945   1.344   3.312
  326   1HG   MET  43          1HG       MET  43   3.155   2.140   4.916
  327   2HG   MET  43          2HG       MET  43   4.779   1.889   5.572
  328   1HE   MET  43          1HE       MET  43   6.362   3.707   6.282
  329   2HE   MET  43          2HE       MET  43   5.652   4.971   7.297
  330   3HE   MET  43          3HE       MET  43   5.210   3.260   7.562
  331    H    THR  44           H        THR  44   6.022   3.222   0.732
  332    HA   THR  44           HA       THR  44   7.893   0.955   0.731
  333    HB   THR  44           HB       THR  44   6.257  -0.193   0.031
  334    HG1  THR  44           HG1      THR  44   6.001   1.034  -2.397
  335   1HG2  THR  44          1HG2      THR  44   4.544   1.466   0.528
  336   2HG2  THR  44          2HG2      THR  44   4.782   2.175  -1.094
  337   3HG2  THR  44          3HG2      THR  44   4.174   0.515  -0.900
  338    H    GLU  45           H        GLU  45   7.946   4.221  -0.105
  339    HA   GLU  45           HA       GLU  45   9.349   5.407  -1.514
  340   1HB   GLU  45          1HB       GLU  45  10.636   4.526   0.424
  341   2HB   GLU  45          2HB       GLU  45  11.165   3.225  -0.615
  342   1HG   GLU  45          1HG       GLU  45  11.795   5.692  -1.964
  343   2HG   GLU  45          2HG       GLU  45  12.245   5.909  -0.276
  344    H    HIS  46           H        HIS  46   7.697   4.340  -3.156
  345    HA   HIS  46           HA       HIS  46   9.158   2.592  -5.047
  346   1HB   HIS  46          1HB       HIS  46   7.633   1.283  -3.862
  347   2HB   HIS  46          2HB       HIS  46   6.341   2.504  -3.943
  348    HD1  HIS  46           HD1      HIS  46   5.197   2.775  -6.481
  349    HD2  HIS  46           HD2      HIS  46   7.671  -0.570  -5.805
  350    HE1  HIS  46           HE1      HIS  46   4.916   1.196  -8.478
  351    HA   PRO  47           HA       PRO  47   8.563   5.222  -8.509
  352   1HB   PRO  47          1HB       PRO  47   7.217   2.762  -9.702
  353   2HB   PRO  47          2HB       PRO  47   8.374   3.894 -10.467
  354   1HG   PRO  47          1HG       PRO  47   9.176   1.489  -9.268
  355   2HG   PRO  47          2HG       PRO  47  10.162   2.977  -9.199
  356   1HD   PRO  47          2HD       PRO  47   8.462   1.583  -7.309
  357   2HD   PRO  47          1HD       PRO  47   9.947   2.480  -7.030
  358    H    SER  48           H        SER  48   5.654   3.163  -8.541
  359    HA   SER  48           HA       SER  48   4.180   5.373  -9.512
  360   1HB   SER  48          1HB       SER  48   2.899   2.730  -9.520
  361   2HB   SER  48          2HB       SER  48   3.166   3.889 -10.816
  362    HG   SER  48           HG       SER  48   4.329   2.071 -11.205
  363    H    GLY  49           H        GLY  49   4.434   5.495  -6.773
  364   1HA   GLY  49          2HA       GLY  49   3.131   6.640  -5.175
  365   2HA   GLY  49          1HA       GLY  49   2.977   4.951  -4.700
  366    H    SER  50           H        SER  50   1.373   7.296  -6.940
  367    HA   SER  50           HA       SER  50  -1.248   6.627  -5.695
  368   1HB   SER  50          1HB       SER  50  -0.146   8.961  -7.290
  369   2HB   SER  50          2HB       SER  50  -1.887   8.698  -7.143
  370    HG   SER  50           HG       SER  50  -0.050   9.193  -4.998
  371    H    ASP  51           H        ASP  51   0.260   4.798  -7.926
  372    HA   ASP  51           HA       ASP  51  -1.606   5.010 -10.096
  373   1HB   ASP  51          2HB       ASP  51   1.425   4.926 -10.241
  374   2HB   ASP  51          1HB       ASP  51   0.299   4.995 -11.557
  375    H    LEU  52           H        LEU  52   0.389   3.226  -7.612
  376    HA   LEU  52           HA       LEU  52  -0.633   0.779  -8.961
  377   1HB   LEU  52          1HB       LEU  52   0.685  -0.309  -7.129
  378   2HB   LEU  52          2HB       LEU  52   1.485   0.223  -8.614
  379    HG   LEU  52           HG       LEU  52   2.797   1.779  -7.535
  380   1HD1  LEU  52          1HD1      LEU  52   1.146   2.815  -6.007
  381   2HD1  LEU  52          2HD1      LEU  52   1.220   1.381  -4.994
  382   3HD1  LEU  52          3HD1      LEU  52   2.673   2.413  -5.226
  383   1HD2  LEU  52          1HD2      LEU  52   2.333  -0.614  -5.719
  384   2HD2  LEU  52          2HD2      LEU  52   3.384  -0.565  -7.154
  385   3HD2  LEU  52          3HD2      LEU  52   3.768   0.425  -5.722
  386    H    ILE  53           H        ILE  53  -2.287   2.689  -8.022
  387    HA   ILE  53           HA       ILE  53  -3.251   1.268  -5.658
  388    HB   ILE  53           HB       ILE  53  -2.784   4.171  -6.051
  389   1HG1  ILE  53          1HG1      ILE  53  -0.962   2.692  -4.965
  390   2HG1  ILE  53          2HG1      ILE  53  -1.683   3.791  -3.875
  391   1HG2  ILE  53          1HG2      ILE  53  -4.742   2.829  -4.145
  392   2HG2  ILE  53          2HG2      ILE  53  -4.058   4.479  -3.930
  393   3HG2  ILE  53          3HG2      ILE  53  -5.020   4.049  -5.347
  394   1HD1  ILE  53          1HD1      ILE  53  -3.109   2.150  -2.980
  395   2HD1  ILE  53          2HD1      ILE  53  -2.262   0.950  -4.005
  396   3HD1  ILE  53          3HD1      ILE  53  -1.335   1.904  -2.844
  397    H    TYR  54           H        TYR  54  -3.731   2.180  -8.878
  398    HA   TYR  54           HA       TYR  54  -6.655   2.091  -8.949
  399   1HB   TYR  54          1HB       TYR  54  -4.907   4.553  -9.265
  400   2HB   TYR  54          2HB       TYR  54  -6.588   4.488  -9.788
  401    HD1  TYR  54           HD1      TYR  54  -7.523   3.038  -7.030
  402    HD2  TYR  54           HD2      TYR  54  -4.881   6.351  -7.760
  403    HE1  TYR  54           HE1      TYR  54  -8.195   3.994  -4.907
  404    HE2  TYR  54           HE2      TYR  54  -5.306   7.116  -5.451
  405    HH   TYR  54           HH       TYR  54  -7.857   5.697  -3.388
  406    H    TYR  55           H        TYR  55  -3.819   3.529 -10.542
  407    HA   TYR  55           HA       TYR  55  -4.843   3.440 -13.210
  408   1HB   TYR  55          1HB       TYR  55  -3.403   5.189 -11.789
  409   2HB   TYR  55          2HB       TYR  55  -2.054   4.276 -12.428
  410    HD1  TYR  55           HD1      TYR  55  -4.235   4.181 -15.195
  411    HD2  TYR  55           HD2      TYR  55  -1.956   6.976 -12.808
  412    HE1  TYR  55           HE1      TYR  55  -4.215   5.765 -17.069
  413    HE2  TYR  55           HE2      TYR  55  -1.923   8.555 -14.662
  414    HH   TYR  55           HH       TYR  55  -2.574   8.946 -16.812
  415    HA   PRO  56           HA       PRO  56  -1.740  -0.125 -14.019
  416   1HB   PRO  56          1HB       PRO  56  -2.138  -2.172 -12.123
  417   2HB   PRO  56          2HB       PRO  56  -0.682  -1.204 -12.381
  418   1HG   PRO  56          1HG       PRO  56  -2.390  -1.023 -10.099
  419   2HG   PRO  56          2HG       PRO  56  -1.087   0.100 -10.669
  420   1HD   PRO  56          2HD       PRO  56  -4.022   0.244 -11.115
  421   2HD   PRO  56          1HD       PRO  56  -2.861   1.461 -10.501
  422    H    LYS  57           H        LYS  57  -2.957  -2.609 -14.036
  423    HA   LYS  57           HA       LYS  57  -5.077  -3.862 -13.254
  424   1HB   LYS  57          1HB       LYS  57  -5.970  -1.668 -12.627
  425   2HB   LYS  57          2HB       LYS  57  -6.449  -1.554 -14.365
  426   1HG   LYS  57          1HG       LYS  57  -7.954  -3.301 -14.237
  427   2HG   LYS  57          2HG       LYS  57  -7.332  -3.816 -12.637
  428   1HD   LYS  57          1HD       LYS  57  -9.313  -2.488 -12.365
  429   2HD   LYS  57          2HD       LYS  57  -7.920  -1.642 -11.692
  430   1HE   LYS  57          1HE       LYS  57  -9.009  -0.997 -14.468
  431   2HE   LYS  57          2HE       LYS  57  -9.651  -0.203 -13.023
  432   1HZ   LYS  57          1HZ       LYS  57  -6.792  -0.050 -13.769
  433   2HZ   LYS  57          2HZ       LYS  57  -7.873   0.959 -14.356
  434   3HZ   LYS  57          3HZ       LYS  57  -7.547   0.901 -12.699
  435    H    GLU  58           H        GLU  58  -4.276  -1.916 -15.789
  436    HA   GLU  58           HA       GLU  58  -6.099  -2.994 -17.592
  437   1HB   GLU  58          1HB       GLU  58  -5.571  -0.688 -16.675
  438   2HB   GLU  58          2HB       GLU  58  -4.625  -0.732 -18.214
  439   1HG   GLU  58          1HG       GLU  58  -6.452  -0.513 -19.427
  440   2HG   GLU  58          2HG       GLU  58  -7.305  -1.775 -18.536
  441    H    GLY  59           H        GLY  59  -3.400  -3.558 -17.257
  442   1HA   GLY  59          2HA       GLY  59  -1.882  -4.212 -19.525
  443   2HA   GLY  59          1HA       GLY  59  -3.200  -5.412 -19.278
  444    H    ASP  60           H        ASP  60  -3.167  -4.653 -16.144
  445    HA   ASP  60           HA       ASP  60  -0.856  -6.146 -15.235
  446   1HB   ASP  60          1HB       ASP  60  -0.558  -3.393 -15.472
  447   2HB   ASP  60          2HB       ASP  60  -1.487  -3.470 -13.998
  448    H    ASP  61           H        ASP  61  -1.044  -6.075 -12.967
  449    HA   ASP  61           HA       ASP  61  -3.779  -6.611 -12.237
  450   1HB   ASP  61          1HB       ASP  61  -2.639  -8.648 -11.928
  451   2HB   ASP  61          2HB       ASP  61  -1.666  -7.728 -10.794
  452    H    ASP  62           H        ASP  62  -4.384  -5.732 -10.178
  453    HA   ASP  62           HA       ASP  62  -3.066  -3.286  -9.106
  454   1HB   ASP  62          1HB       ASP  62  -3.971  -2.328 -10.984
  455   2HB   ASP  62          2HB       ASP  62  -5.282  -3.429 -10.937
  456    H    SER  63           H        SER  63  -6.430  -3.865  -9.310
  457    HA   SER  63           HA       SER  63  -8.142  -4.585  -7.991
  458   1HB   SER  63          2HB       SER  63  -6.361  -6.800  -6.932
  459   2HB   SER  63          1HB       SER  63  -8.119  -6.775  -7.092
  460    HG   SER  63           HG       SER  63  -6.217  -7.138  -9.164
  461    HA   PRO  64           HA       PRO  64  -6.360  -3.069  -3.991
  462   1HB   PRO  64          1HB       PRO  64  -7.025  -4.520  -1.795
  463   2HB   PRO  64          2HB       PRO  64  -8.223  -3.627  -2.779
  464   1HG   PRO  64          2HG       PRO  64  -7.608  -6.561  -3.008
  465   2HG   PRO  64          1HG       PRO  64  -9.207  -5.793  -2.710
  466   1HD   PRO  64          1HD       PRO  64  -8.405  -6.408  -5.177
  467   2HD   PRO  64          2HD       PRO  64  -9.283  -4.902  -4.924
  468    H    SER  65           H        SER  65  -5.706  -6.117  -4.808
  469    HA   SER  65           HA       SER  65  -3.379  -6.513  -3.135
  470   1HB   SER  65          1HB       SER  65  -3.948  -8.870  -3.916
  471   2HB   SER  65          2HB       SER  65  -5.092  -8.023  -2.837
  472    HG   SER  65           HG       SER  65  -5.340  -8.513  -5.634
  473    H    GLY  66           H        GLY  66  -3.813  -6.750  -6.515
  474   1HA   GLY  66          2HA       GLY  66  -2.691  -6.852  -8.222
  475   2HA   GLY  66          1HA       GLY  66  -1.433  -7.814  -7.449
  476    H    ILE  67           H        ILE  67  -2.878  -4.505  -6.717
  477    HA   ILE  67           HA       ILE  67  -0.532  -3.232  -7.367
  478    HB   ILE  67           HB       ILE  67  -1.403  -1.486  -5.645
  479   1HG1  ILE  67          1HG1      ILE  67  -3.538  -3.479  -5.264
  480   2HG1  ILE  67          2HG1      ILE  67  -2.530  -2.588  -4.186
  481   1HG2  ILE  67          1HG2      ILE  67  -1.847  -1.606  -8.190
  482   2HG2  ILE  67          2HG2      ILE  67  -3.514  -2.079  -7.646
  483   3HG2  ILE  67          3HG2      ILE  67  -2.899  -0.554  -7.227
  484   1HD1  ILE  67          1HD1      ILE  67  -4.667  -1.208  -5.928
  485   2HD1  ILE  67          2HD1      ILE  67  -4.929  -1.706  -4.288
  486   3HD1  ILE  67          3HD1      ILE  67  -3.714  -0.495  -4.622
  487    H    VAL  68           H        VAL  68  -1.427  -4.417  -4.308
  488    HA   VAL  68           HA       VAL  68   0.970  -3.354  -3.013
  489    HB   VAL  68           HB       VAL  68  -0.682  -5.663  -1.973
  490   1HG1  VAL  68          1HG1      VAL  68   1.417  -4.440  -0.690
  491   2HG1  VAL  68          2HG1      VAL  68   0.262  -3.163  -0.439
  492   3HG1  VAL  68          3HG1      VAL  68  -0.095  -4.748   0.232
  493   1HG2  VAL  68          1HG2      VAL  68  -1.411  -2.757  -2.119
  494   2HG2  VAL  68          2HG2      VAL  68  -2.316  -4.186  -2.636
  495   3HG2  VAL  68          3HG2      VAL  68  -2.138  -3.856  -0.929
  496    H    ASN  69           H        ASN  69  -0.001  -5.930  -4.822
  497    HA   ASN  69           HA       ASN  69   2.261  -7.719  -4.818
  498   1HB   ASN  69          1HB       ASN  69  -0.055  -7.785  -5.930
  499   2HB   ASN  69          2HB       ASN  69   1.143  -7.712  -7.247
  500   2HD2  ASN  69          2HD2      ASN  69  -0.556  -9.812  -5.315
  501   1HD2  ASN  69          1HD2      ASN  69   0.581 -11.162  -5.297
  502    H    THR  70           H        THR  70   1.391  -4.853  -6.867
  503    HA   THR  70           HA       THR  70   3.381  -5.254  -8.526
  504    HB   THR  70           HB       THR  70   2.266  -2.581  -7.555
  505    HG1  THR  70           HG1      THR  70   1.366  -3.944  -9.864
  506   1HG2  THR  70          1HG2      THR  70   4.211  -2.020  -8.881
  507   2HG2  THR  70          2HG2      THR  70   3.578  -2.982 -10.245
  508   3HG2  THR  70          3HG2      THR  70   2.715  -1.534  -9.681
  509    H    VAL  71           H        VAL  71   3.213  -3.690  -5.474
  510    HA   VAL  71           HA       VAL  71   5.902  -2.718  -5.173
  511    HB   VAL  71           HB       VAL  71   3.494  -3.071  -3.388
  512   1HG1  VAL  71          1HG1      VAL  71   6.207  -3.148  -2.066
  513   2HG1  VAL  71          2HG1      VAL  71   4.641  -2.809  -1.295
  514   3HG1  VAL  71          3HG1      VAL  71   4.958  -4.414  -1.951
  515   1HG2  VAL  71          1HG2      VAL  71   4.363  -1.141  -4.496
  516   2HG2  VAL  71          2HG2      VAL  71   4.407  -0.951  -2.716
  517   3HG2  VAL  71          3HG2      VAL  71   5.911  -1.302  -3.639
  518    H    LYS  72           H        LYS  72   4.244  -5.639  -4.304
  519    HA   LYS  72           HA       LYS  72   6.463  -6.907  -3.136
  520   1HB   LYS  72          1HB       LYS  72   3.857  -7.709  -3.848
  521   2HB   LYS  72          2HB       LYS  72   4.901  -8.981  -4.483
  522   1HG   LYS  72          1HG       LYS  72   4.640  -9.483  -2.130
  523   2HG   LYS  72          2HG       LYS  72   6.182  -8.621  -2.191
  524   1HD   LYS  72          1HD       LYS  72   5.257  -7.169  -0.818
  525   2HD   LYS  72          2HD       LYS  72   4.341  -6.537  -2.092
  526   1HE   LYS  72          1HE       LYS  72   2.555  -8.249  -1.910
  527   2HE   LYS  72          2HE       LYS  72   3.220  -8.754  -0.371
  528   1HZ   LYS  72          1HZ       LYS  72   2.251  -6.063  -1.077
  529   2HZ   LYS  72          2HZ       LYS  72   1.459  -7.148  -0.102
  530   3HZ   LYS  72          3HZ       LYS  72   2.865  -6.490   0.412
  531    H    GLN  73           H        GLN  73   6.334  -6.221  -6.113
  532    HA   GLN  73           HA       GLN  73   8.212  -8.070  -7.017
  533   1HB   GLN  73          2HB       GLN  73   6.305  -6.408  -8.665
  534   2HB   GLN  73          1HB       GLN  73   7.478  -7.562  -9.357
  535   1HG   GLN  73          1HG       GLN  73   6.567  -9.292  -7.759
  536   2HG   GLN  73          2HG       GLN  73   5.421  -8.248  -7.218
  537   2HE2  GLN  73          2HE2      GLN  73   3.456  -8.526  -7.961
  538   1HE2  GLN  73          1HE2      GLN  73   3.027  -9.014  -9.602
  539    H    TRP  74           H        TRP  74   7.629  -4.659  -7.184
  540    HA   TRP  74           HA       TRP  74  10.205  -3.633  -8.028
  541   1HB   TRP  74          1HB       TRP  74   8.032  -2.452  -8.130
  542   2HB   TRP  74          2HB       TRP  74   8.308  -2.278  -6.395
  543    HD1  TRP  74           HD1      TRP  74   9.750  -1.454  -9.768
  544    HE1  TRP  74           HE1      TRP  74  11.689   0.222  -9.702
  545    HE3  TRP  74           HE3      TRP  74   9.707  -0.594  -4.802
  546    HZ2  TRP  74           HZ2      TRP  74  12.931   1.892  -7.697
  547    HZ3  TRP  74           HZ3      TRP  74  10.930   1.289  -3.950
  548    HH2  TRP  74           HH2      TRP  74  12.614   2.540  -5.320
  549    H    ARG  75           H        ARG  75   8.616  -3.702  -4.847
  550    HA   ARG  75           HA       ARG  75  10.938  -3.367  -3.245
  551   1HB   ARG  75          1HB       ARG  75   8.381  -3.327  -2.481
  552   2HB   ARG  75          2HB       ARG  75   8.388  -5.061  -2.671
  553   1HG   ARG  75          1HG       ARG  75   9.254  -5.567  -0.803
  554   2HG   ARG  75          2HG       ARG  75  10.483  -4.346  -0.817
  555   1HD   ARG  75          1HD       ARG  75   7.637  -3.532  -0.223
  556   2HD   ARG  75          2HD       ARG  75   8.582  -4.417   0.985
  557    HE   ARG  75           HE       ARG  75   9.820  -2.617   1.464
  558   1HH1  ARG  75          1HH1      ARG  75   8.091  -1.811  -1.521
  559   2HH1  ARG  75          2HH1      ARG  75   8.617  -0.177  -1.511
  560   1HH2  ARG  75          1HH2      ARG  75  10.428  -0.463   1.519
  561   2HH2  ARG  75          2HH2      ARG  75   9.970   0.612   0.228
  562    H    ALA  76           H        ALA  76  10.025  -6.072  -5.072
  563    HA   ALA  76           HA       ALA  76  11.561  -7.753  -3.185
  564   1HB   ALA  76          1HB       ALA  76   9.786  -8.690  -5.459
  565   2HB   ALA  76          3HB       ALA  76  10.726  -9.775  -4.424
  566   3HB   ALA  76          2HB       ALA  76   9.438  -8.803  -3.700
  567    H    ALA  77           H        ALA  77  11.667  -6.289  -6.128
  568    HA   ALA  77           HA       ALA  77  14.019  -7.873  -6.966
  569   1HB   ALA  77          1HB       ALA  77  12.220  -7.346  -8.700
  570   2HB   ALA  77          3HB       ALA  77  12.459  -5.618  -8.382
  571   3HB   ALA  77          2HB       ALA  77  13.756  -6.552  -9.153
  572    H    ASN  78           H        ASN  78  13.082  -4.749  -6.001
  573    HA   ASN  78           HA       ASN  78  15.755  -3.754  -5.810
  574   1HB   ASN  78          1HB       ASN  78  13.374  -2.594  -6.142
  575   2HB   ASN  78          2HB       ASN  78  13.148  -2.937  -4.495
  576   2HD2  ASN  78          2HD2      ASN  78  15.982  -2.239  -3.522
  577   1HD2  ASN  78          1HD2      ASN  78  16.181  -0.529  -3.887
  578    H    GLY  79           H        GLY  79  13.759  -5.726  -4.299
  579   1HA   GLY  79          2HA       GLY  79  15.600  -6.700  -2.272
  580   2HA   GLY  79          1HA       GLY  79  13.871  -7.090  -2.295
  581    H    LYS  80           H        LYS  80  13.083  -4.372  -2.259
  582    HA   LYS  80           HA       LYS  80  14.257  -2.438  -0.911
  583   1HB   LYS  80          1HB       LYS  80  11.523  -2.700  -0.217
  584   2HB   LYS  80          2HB       LYS  80  12.521  -1.270  -0.009
  585   1HG   LYS  80          1HG       LYS  80  12.551  -2.564  -2.625
  586   2HG   LYS  80          2HG       LYS  80  11.123  -1.784  -2.206
  587   1HD   LYS  80          1HD       LYS  80  13.593  -0.761  -2.302
  588   2HD   LYS  80          2HD       LYS  80  12.644  -0.730  -3.648
  589   1HE   LYS  80          1HE       LYS  80  11.012   0.610  -2.395
  590   2HE   LYS  80          2HE       LYS  80  11.927   0.548  -1.042
  591   1HZ   LYS  80          1HZ       LYS  80  13.337   1.710  -3.320
  592   2HZ   LYS  80          2HZ       LYS  80  12.157   2.603  -2.678
  593   3HZ   LYS  80          3HZ       LYS  80  13.390   2.211  -1.742
  594    H    SER  81           H        SER  81  12.264  -4.598   0.673
  595    HA   SER  81           HA       SER  81  12.654  -4.763   3.567
  596   1HB   SER  81          1HB       SER  81  10.301  -3.496   3.347
  597   2HB   SER  81          2HB       SER  81  11.700  -3.013   4.292
  598    HG   SER  81           HG       SER  81  12.425  -1.782   2.560
  599    H    GLY  82           H        GLY  82  11.297  -6.015   4.420
  600   1HA   GLY  82          2HA       GLY  82  10.913  -8.289   3.652
  601   2HA   GLY  82          1HA       GLY  82   9.546  -7.684   2.677
  602    H    PHE  83           H        PHE  83   8.866  -5.703   4.675
  603    HA   PHE  83           HA       PHE  83   7.773  -5.210   6.428
  604   1HB   PHE  83          2HB       PHE  83   6.259  -7.616   5.427
  605   2HB   PHE  83          1HB       PHE  83   5.786  -6.221   6.438
  606    HD1  PHE  83           HD1      PHE  83   7.083  -6.970   3.108
  607    HD2  PHE  83           HD2      PHE  83   4.292  -4.801   5.522
  608    HE1  PHE  83           HE1      PHE  83   6.426  -5.834   1.197
  609    HE2  PHE  83           HE2      PHE  83   3.492  -3.710   3.703
  610    HZ   PHE  83           HZ       PHE  83   4.484  -4.096   1.266
  611    H    LYS  84           H        LYS  84   6.538  -7.930   6.993
  612    HA   LYS  84           HA       LYS  84   7.404  -8.923   9.457
  613   1HB   LYS  84          1HB       LYS  84   6.795  -6.485   9.551
  614   2HB   LYS  84          2HB       LYS  84   5.219  -7.246   9.598
  615   1HG   LYS  84          1HG       LYS  84   5.853  -8.667  11.470
  616   2HG   LYS  84          2HG       LYS  84   7.541  -8.146  11.351
  617   1HD   LYS  84          2HD       LYS  84   7.172  -6.594  12.795
  618   2HD   LYS  84          1HD       LYS  84   6.195  -5.771  11.568
  619   1HE   LYS  84          1HE       LYS  84   4.816  -5.887  13.532
  620   2HE   LYS  84          2HE       LYS  84   4.183  -7.027  12.336
  621   1HZ   LYS  84          1HZ       LYS  84   5.425  -8.796  13.513
  622   2HZ   LYS  84          2HZ       LYS  84   5.754  -7.738  14.746
  623   3HZ   LYS  84          3HZ       LYS  84   4.219  -8.251  14.314
  624    H    GLN  85           H        GLN  85   5.832 -10.349  10.007
  625    HA   GLN  85           HA       GLN  85   3.965 -11.358   7.915
  626   1HB   GLN  85          1HB       GLN  85   6.104 -12.539   8.516
  627   2HB   GLN  85          2HB       GLN  85   4.667 -13.523   8.970
  628   1HG   GLN  85          1HG       GLN  85   3.858 -13.437   6.743
  629   2HG   GLN  85          2HG       GLN  85   5.067 -12.216   6.290
  630   2HE2  GLN  85          2HE2      GLN  85   6.294 -13.226   4.688
  631   1HE2  GLN  85          1HE2      GLN  85   7.069 -14.783   4.944
  632    H    GLY  86           H        GLY  86   4.851 -11.708  11.209
  633   1HA   GLY  86          2HA       GLY  86   2.958 -12.476  12.866
  634   2HA   GLY  86          1HA       GLY  86   2.139 -11.086  12.103

  No H/Q in entry =         634
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -8.068   0.501   9.568
    2    H2   MET   1           H2       MET   1  -8.429   0.880   8.019
    3    H3   MET   1           H3       MET   1  -7.106  -0.048   8.343
    4    HA   MET   1           HA       MET   1  -6.331   2.029   7.820
    5   1HB   MET   1          2HB       MET   1  -7.020   4.084   8.562
    6   2HB   MET   1          1HB       MET   1  -8.480   3.193   8.186
    7   1HG   MET   1          1HG       MET   1  -8.294   2.667  10.851
    8   2HG   MET   1          2HG       MET   1  -7.396   4.183  10.797
    9   1HE   MET   1          1HE       MET   1 -10.544   2.284  10.110
   10   2HE   MET   1          2HE       MET   1 -11.830   3.503   9.939
   11   3HE   MET   1          3HE       MET   1 -10.676   3.234   8.619
   12    H    GLU   2           H        GLU   2  -5.255   0.016   9.116
   13    HA   GLU   2           HA       GLU   2  -3.734   0.730  11.464
   14   1HB   GLU   2          1HB       GLU   2  -2.120  -0.901  10.396
   15   2HB   GLU   2          2HB       GLU   2  -3.676  -1.570  10.865
   16   1HG   GLU   2          1HG       GLU   2  -3.131  -0.643   8.011
   17   2HG   GLU   2          2HG       GLU   2  -2.672  -2.234   8.592
   18    H    LEU   3           H        LEU   3  -1.374   1.603  11.233
   19    HA   LEU   3           HA       LEU   3  -0.557   2.851   9.016
   20   1HB   LEU   3          1HB       LEU   3  -1.873   4.468  11.275
   21   2HB   LEU   3          2HB       LEU   3  -0.461   5.095  10.426
   22    HG   LEU   3           HG       LEU   3  -3.151   4.428   9.187
   23   1HD1  LEU   3          1HD1      LEU   3  -2.908   6.608  10.370
   24   2HD1  LEU   3          2HD1      LEU   3  -1.480   6.983   9.353
   25   3HD1  LEU   3          3HD1      LEU   3  -3.092   6.800   8.596
   26   1HD2  LEU   3          1HD2      LEU   3  -0.436   5.050   8.070
   27   2HD2  LEU   3          2HD2      LEU   3  -1.627   3.874   7.426
   28   3HD2  LEU   3          3HD2      LEU   3  -1.782   5.622   7.152
   29    H    LYS   4           H        LYS   4   1.466   3.800   9.629
   30    HA   LYS   4           HA       LYS   4   2.529   2.534  11.970
   31   1HB   LYS   4          1HB       LYS   4   2.472   1.165   9.511
   32   2HB   LYS   4          2HB       LYS   4   4.090   1.744   9.717
   33   1HG   LYS   4          1HG       LYS   4   3.952  -0.434  10.745
   34   2HG   LYS   4          2HG       LYS   4   4.133   0.812  12.004
   35   1HD   LYS   4          1HD       LYS   4   1.860   0.726  12.541
   36   2HD   LYS   4          2HD       LYS   4   1.444  -0.387  11.263
   37   1HE   LYS   4          1HE       LYS   4   3.212  -1.184  13.608
   38   2HE   LYS   4          2HE       LYS   4   1.495  -0.908  13.841
   39   1HZ   LYS   4          1HZ       LYS   4   1.044  -2.634  12.123
   40   2HZ   LYS   4          2HZ       LYS   4   2.663  -2.953  12.097
   41   3HZ   LYS   4          3HZ       LYS   4   1.793  -3.192  13.432
   42    H    HIS   5           H        HIS   5   5.015   2.681  11.714
   43    HA   HIS   5           HA       HIS   5   5.739   5.460  11.089
   44   1HB   HIS   5          2HB       HIS   5   7.903   3.743  12.112
   45   2HB   HIS   5          1HB       HIS   5   7.400   5.335  12.618
   46    HD1  HIS   5           HD1      HIS   5   5.144   5.240  14.417
   47    HD2  HIS   5           HD2      HIS   5   7.135   1.707  13.348
   48    HE1  HIS   5           HE1      HIS   5   4.218   3.414  15.967
   49    H    SER   6           H        SER   6   6.196   2.321  10.271
   50    HA   SER   6           HA       SER   6   7.793   2.881   7.925
   51   1HB   SER   6          1HB       SER   6   8.463   0.470   8.816
   52   2HB   SER   6          2HB       SER   6   9.292   2.000   9.077
   53    HG   SER   6           HG       SER   6   8.959   0.727  11.045
   54    H    ILE   7           H        ILE   7   7.770   1.416   6.275
   55    HA   ILE   7           HA       ILE   7   5.544  -0.231   5.849
   56    HB   ILE   7           HB       ILE   7   6.984   0.739   4.126
   57   1HG1  ILE   7          1HG1      ILE   7   6.242  -2.113   4.088
   58   2HG1  ILE   7          2HG1      ILE   7   5.643  -0.743   3.186
   59   1HG2  ILE   7          1HG2      ILE   7   9.186   0.404   5.284
   60   2HG2  ILE   7          2HG2      ILE   7   9.098  -1.323   4.851
   61   3HG2  ILE   7          3HG2      ILE   7   9.197  -0.054   3.604
   62   1HD1  ILE   7          1HD1      ILE   7   7.910  -0.910   1.996
   63   2HD1  ILE   7          2HD1      ILE   7   8.125  -2.425   2.913
   64   3HD1  ILE   7          3HD1      ILE   7   6.751  -2.258   1.776
   65    H    SER   8           H        SER   8   7.774  -0.664   8.235
   66    HA   SER   8           HA       SER   8   8.051  -3.517   8.025
   67   1HB   SER   8          1HB       SER   8  10.126  -2.996   8.244
   68   2HB   SER   8          2HB       SER   8   9.604  -1.574   7.472
   69    HG   SER   8           HG       SER   8  10.321  -1.873  10.176
   70    H    ASP   9           H        ASP   9   6.860  -0.851  10.010
   71    HA   ASP   9           HA       ASP   9   7.011  -2.736  12.283
   72   1HB   ASP   9          1HB       ASP   9   6.276   0.072  12.351
   73   2HB   ASP   9          2HB       ASP   9   4.939  -0.879  12.903
   74    H    TYR  10           H        TYR  10   5.444  -2.574   9.359
   75    HA   TYR  10           HA       TYR  10   3.184  -4.117  10.560
   76   1HB   TYR  10          1HB       TYR  10   1.556  -3.175   9.221
   77   2HB   TYR  10          2HB       TYR  10   2.391  -1.854   9.936
   78    HD1  TYR  10           HD1      TYR  10   4.590  -2.648   7.445
   79    HD2  TYR  10           HD2      TYR  10   0.497  -1.325   7.843
   80    HE1  TYR  10           HE1      TYR  10   4.585  -1.964   5.197
   81    HE2  TYR  10           HE2      TYR  10   0.651  -0.335   5.584
   82    HH   TYR  10           HH       TYR  10   2.249   0.078   3.649
   83    H    THR  11           H        THR  11   2.290  -5.775   9.295
   84    HA   THR  11           HA       THR  11   4.481  -7.092   7.773
   85    HB   THR  11           HB       THR  11   3.707  -8.906   8.484
   86    HG1  THR  11           HG1      THR  11   1.409  -9.534   8.251
   87   1HG2  THR  11          1HG2      THR  11   3.052  -7.760  10.576
   88   2HG2  THR  11          2HG2      THR  11   1.408  -7.535   9.934
   89   3HG2  THR  11          3HG2      THR  11   1.992  -9.142  10.251
   90    H    GLU  12           H        GLU  12   3.825  -8.328   5.831
   91    HA   GLU  12           HA       GLU  12   3.290  -6.338   3.847
   92   1HB   GLU  12          1HB       GLU  12   4.889  -8.374   3.865
   93   2HB   GLU  12          2HB       GLU  12   3.444  -9.373   3.574
   94   1HG   GLU  12          1HG       GLU  12   2.917  -7.922   1.664
   95   2HG   GLU  12          2HG       GLU  12   4.242  -6.982   1.891
   96    H    ALA  13           H        ALA  13   1.297  -8.400   5.631
   97    HA   ALA  13           HA       ALA  13  -0.958  -8.444   3.649
   98   1HB   ALA  13          1HB       ALA  13  -0.475 -10.617   4.768
   99   2HB   ALA  13          3HB       ALA  13  -0.673  -9.835   6.357
  100   3HB   ALA  13          2HB       ALA  13  -2.054  -9.963   5.251
  101    H    GLU  14           H        GLU  14   0.265  -7.061   6.627
  102    HA   GLU  14           HA       GLU  14  -2.051  -5.746   7.549
  103   1HB   GLU  14          1HB       GLU  14   0.565  -6.086   8.349
  104   2HB   GLU  14          2HB       GLU  14   0.691  -4.479   7.670
  105   1HG   GLU  14          1HG       GLU  14  -0.846  -3.526   8.989
  106   2HG   GLU  14          2HG       GLU  14  -1.588  -5.088   9.494
  107    H    PHE  15           H        PHE  15   0.476  -4.855   5.231
  108    HA   PHE  15           HA       PHE  15  -0.689  -2.288   4.585
  109   1HB   PHE  15          1HB       PHE  15   1.676  -3.027   4.276
  110   2HB   PHE  15          2HB       PHE  15   1.188  -4.037   2.939
  111    HD1  PHE  15           HD1      PHE  15  -0.203  -0.530   3.504
  112    HD2  PHE  15           HD2      PHE  15   2.401  -3.049   1.200
  113    HE1  PHE  15           HE1      PHE  15   0.672   1.444   2.348
  114    HE2  PHE  15           HE2      PHE  15   3.360  -1.024   0.076
  115    HZ   PHE  15           HZ       PHE  15   2.576   1.206   0.733
  116    H    LEU  16           H        LEU  16  -0.982  -5.634   3.366
  117    HA   LEU  16           HA       LEU  16  -2.171  -4.812   0.846
  118   1HB   LEU  16          1HB       LEU  16  -1.185  -7.016   1.386
  119   2HB   LEU  16          2HB       LEU  16  -2.474  -7.290   2.562
  120    HG   LEU  16           HG       LEU  16  -4.029  -7.873   1.061
  121   1HD1  LEU  16          1HD1      LEU  16  -4.030  -5.796  -0.359
  122   2HD1  LEU  16          2HD1      LEU  16  -2.663  -6.473  -1.244
  123   3HD1  LEU  16          3HD1      LEU  16  -4.267  -7.282  -1.202
  124   1HD2  LEU  16          1HD2      LEU  16  -2.015  -9.389   0.714
  125   2HD2  LEU  16          2HD2      LEU  16  -2.977  -9.258  -0.765
  126   3HD2  LEU  16          3HD2      LEU  16  -1.458  -8.345  -0.614
  127    H    GLN  17           H        GLN  17  -3.381  -5.410   4.085
  128    HA   GLN  17           HA       GLN  17  -5.981  -5.360   3.538
  129   1HB   GLN  17          1HB       GLN  17  -5.277  -6.555   5.446
  130   2HB   GLN  17          2HB       GLN  17  -4.280  -5.206   6.029
  131   1HG   GLN  17          1HG       GLN  17  -6.058  -3.953   6.723
  132   2HG   GLN  17          2HG       GLN  17  -7.231  -4.870   5.758
  133   2HE2  GLN  17          2HE2      GLN  17  -5.911  -4.533   8.891
  134   1HE2  GLN  17          1HE2      GLN  17  -6.531  -6.040   9.580
  135    H    LEU  18           H        LEU  18  -3.504  -3.071   4.419
  136    HA   LEU  18           HA       LEU  18  -5.211  -1.009   5.051
  137   1HB   LEU  18          1HB       LEU  18  -2.914  -1.085   5.668
  138   2HB   LEU  18          2HB       LEU  18  -2.414  -0.788   4.001
  139    HG   LEU  18           HG       LEU  18  -2.854   1.050   5.885
  140   1HD1  LEU  18          1HD1      LEU  18  -1.648   1.453   3.780
  141   2HD1  LEU  18          2HD1      LEU  18  -3.190   1.525   2.907
  142   3HD1  LEU  18          3HD1      LEU  18  -2.759   2.786   4.062
  143   1HD2  LEU  18          1HD2      LEU  18  -5.324   0.721   5.942
  144   2HD2  LEU  18          2HD2      LEU  18  -4.575   2.226   6.116
  145   3HD2  LEU  18          3HD2      LEU  18  -5.262   1.836   4.525
  146    H    VAL  19           H        VAL  19  -3.770  -1.997   1.994
  147    HA   VAL  19           HA       VAL  19  -4.420   0.302   0.074
  148    HB   VAL  19           HB       VAL  19  -3.960  -2.652  -0.216
  149   1HG1  VAL  19          1HG1      VAL  19  -5.466  -1.724  -2.001
  150   2HG1  VAL  19          2HG1      VAL  19  -4.258  -0.451  -2.306
  151   3HG1  VAL  19          3HG1      VAL  19  -3.905  -2.184  -2.536
  152   1HG2  VAL  19          1HG2      VAL  19  -2.310  -0.359   0.346
  153   2HG2  VAL  19          2HG2      VAL  19  -1.821  -1.978  -0.086
  154   3HG2  VAL  19          3HG2      VAL  19  -2.111  -0.754  -1.364
  155    H    THR  20           H        THR  20  -5.869  -2.745   1.385
  156    HA   THR  20           HA       THR  20  -8.311  -2.834  -0.086
  157    HB   THR  20           HB       THR  20  -6.691  -4.244   1.909
  158    HG1  THR  20           HG1      THR  20  -6.551  -4.779  -0.166
  159   1HG2  THR  20          1HG2      THR  20  -8.502  -4.395   3.308
  160   2HG2  THR  20          2HG2      THR  20  -9.480  -5.134   1.994
  161   3HG2  THR  20          3HG2      THR  20  -8.002  -5.935   2.626
  162    H    THR  21           H        THR  21  -7.414  -1.261   3.032
  163    HA   THR  21           HA       THR  21 -10.077  -0.518   3.861
  164    HB   THR  21           HB       THR  21  -7.278  -0.274   4.612
  165    HG1  THR  21           HG1      THR  21  -9.385   0.169   6.372
  166   1HG2  THR  21          1HG2      THR  21  -8.919   2.260   5.045
  167   2HG2  THR  21          2HG2      THR  21  -7.462   1.785   5.914
  168   3HG2  THR  21          3HG2      THR  21  -7.404   2.089   4.171
  169    H    ILE  22           H        ILE  22  -7.785   0.672   1.491
  170    HA   ILE  22           HA       ILE  22  -9.006   3.286   1.194
  171    HB   ILE  22           HB       ILE  22  -7.025   2.127  -0.790
  172   1HG1  ILE  22          1HG1      ILE  22  -6.460   3.034   2.034
  173   2HG1  ILE  22          2HG1      ILE  22  -5.865   1.644   1.112
  174   1HG2  ILE  22          1HG2      ILE  22  -8.199   4.333  -1.161
  175   2HG2  ILE  22          2HG2      ILE  22  -7.311   4.940   0.270
  176   3HG2  ILE  22          3HG2      ILE  22  -6.444   4.356  -1.177
  177   1HD1  ILE  22          1HD1      ILE  22  -4.492   3.120  -0.287
  178   2HD1  ILE  22          2HD1      ILE  22  -5.021   4.469   0.751
  179   3HD1  ILE  22          3HD1      ILE  22  -4.070   3.145   1.442
  180    H    CYS  23           H        CYS  23  -8.549   0.305  -0.717
  181    HA   CYS  23           HA       CYS  23 -10.632   0.808  -2.610
  182   1HB   CYS  23          2HB       CYS  23  -9.627  -1.945  -1.696
  183   2HB   CYS  23          1HB       CYS  23 -10.479  -1.520  -3.161
  184    H    ASN  24           H        ASN  24 -10.722   0.316   0.783
  185    HA   ASN  24           HA       ASN  24 -13.651  -0.501   0.489
  186   1HB   ASN  24          1HB       ASN  24 -12.364  -1.822   2.094
  187   2HB   ASN  24          2HB       ASN  24 -12.129  -0.379   3.088
  188   2HD2  ASN  24          2HD2      ASN  24 -14.179   0.568   4.111
  189   1HD2  ASN  24          1HD2      ASN  24 -15.527  -0.528   4.295
  190    H    ALA  25           H        ALA  25 -11.729   2.195   1.680
  191    HA   ALA  25           HA       ALA  25 -12.185   4.300   2.537
  192   1HB   ALA  25          1HB       ALA  25 -14.924   3.888   1.136
  193   2HB   ALA  25          3HB       ALA  25 -14.390   5.384   1.873
  194   3HB   ALA  25          2HB       ALA  25 -13.521   4.734   0.462
  195    H    ASP  26           H        ASP  26 -12.237   2.057   3.841
  196    HA   ASP  26           HA       ASP  26 -13.935   1.439   5.986
  197   1HB   ASP  26          1HB       ASP  26 -12.085   0.259   5.303
  198   2HB   ASP  26          2HB       ASP  26 -11.011   1.585   5.334
  199    H    THR  27           H        THR  27 -12.410   4.125   5.254
  200    HA   THR  27           HA       THR  27 -11.587   5.189   7.809
  201    HB   THR  27           HB       THR  27 -10.202   6.484   6.698
  202    HG1  THR  27           HG1      THR  27 -11.679   6.329   4.300
  203   1HG2  THR  27          1HG2      THR  27  -9.636   4.193   6.132
  204   2HG2  THR  27          2HG2      THR  27 -10.553   4.321   4.606
  205   3HG2  THR  27          3HG2      THR  27  -9.144   5.355   4.878
  206    H    SER  28           H        SER  28 -11.415   7.856   7.567
  207    HA   SER  28           HA       SER  28 -13.807   8.929   8.536
  208   1HB   SER  28          1HB       SER  28 -12.731  11.064   7.950
  209   2HB   SER  28          2HB       SER  28 -11.674   9.925   8.878
  210    HG   SER  28           HG       SER  28 -10.726  11.119   7.158
  211    H    SER  29           H        SER  29 -12.747   8.237   5.459
  212    HA   SER  29           HA       SER  29 -14.505   7.347   4.057
  213   1HB   SER  29          1HB       SER  29 -15.941   9.528   4.655
  214   2HB   SER  29          2HB       SER  29 -16.509   8.310   3.546
  215    HG   SER  29           HG       SER  29 -15.727   7.360   6.060
  216    H    GLU  30           H        GLU  30 -12.744   9.928   3.785
  217    HA   GLU  30           HA       GLU  30 -12.578   9.339   1.141
  218   1HB   GLU  30          1HB       GLU  30 -14.520  11.124   1.138
  219   2HB   GLU  30          2HB       GLU  30 -13.288  12.310   1.534
  220   1HG   GLU  30          1HG       GLU  30 -12.235  11.965  -0.678
  221   2HG   GLU  30          2HG       GLU  30 -13.367  10.652  -1.027
  222    H    GLU  31           H        GLU  31 -11.442  10.708   3.810
  223    HA   GLU  31           HA       GLU  31  -9.342  12.246   2.846
  224   1HB   GLU  31          1HB       GLU  31 -11.419  12.515   4.346
  225   2HB   GLU  31          2HB       GLU  31 -10.444  11.636   5.174
  226   1HG   GLU  31          1HG       GLU  31  -8.621  13.421   5.124
  227   2HG   GLU  31          2HG       GLU  31 -10.013  14.471   4.709
  228    H    GLU  32           H        GLU  32  -9.693  10.352   5.519
  229    HA   GLU  32           HA       GLU  32  -7.102   9.329   6.148
  230   1HB   GLU  32          1HB       GLU  32  -9.719   8.385   6.377
  231   2HB   GLU  32          2HB       GLU  32  -8.387   7.194   6.437
  232   1HG   GLU  32          1HG       GLU  32  -8.488   9.722   8.092
  233   2HG   GLU  32          2HG       GLU  32  -8.994   8.155   8.673
  234    H    LEU  33           H        LEU  33  -9.447   8.645   3.585
  235    HA   LEU  33           HA       LEU  33  -8.227   6.339   2.519
  236   1HB   LEU  33          1HB       LEU  33 -10.115   8.488   1.586
  237   2HB   LEU  33          2HB       LEU  33  -9.463   7.455   0.345
  238    HG   LEU  33           HG       LEU  33 -10.223   5.982   2.863
  239   1HD1  LEU  33          1HD1      LEU  33 -11.846   7.840   2.739
  240   2HD1  LEU  33          2HD1      LEU  33 -12.468   7.188   1.198
  241   3HD1  LEU  33          3HD1      LEU  33 -12.591   6.282   2.719
  242   1HD2  LEU  33          1HD2      LEU  33  -9.570   5.249   0.369
  243   2HD2  LEU  33          2HD2      LEU  33 -10.857   4.366   1.110
  244   3HD2  LEU  33          3HD2      LEU  33 -11.223   5.647  -0.054
  245    H    VAL  34           H        VAL  34  -7.997   9.696   1.193
  246    HA   VAL  34           HA       VAL  34  -5.718   9.328  -0.454
  247    HB   VAL  34           HB       VAL  34  -7.157  11.453   0.861
  248   1HG1  VAL  34          1HG1      VAL  34  -4.657  11.972  -0.809
  249   2HG1  VAL  34          2HG1      VAL  34  -5.847  13.221  -0.369
  250   3HG1  VAL  34          3HG1      VAL  34  -4.897  12.429   0.891
  251   1HG2  VAL  34          1HG2      VAL  34  -8.111  10.425  -1.126
  252   2HG2  VAL  34          2HG2      VAL  34  -7.713  12.119  -1.441
  253   3HG2  VAL  34          3HG2      VAL  34  -6.644  10.829  -2.053
  254    H    LYS  35           H        LYS  35  -5.984   9.625   2.981
  255    HA   LYS  35           HA       LYS  35  -3.153  10.369   3.388
  256   1HB   LYS  35          1HB       LYS  35  -4.719  11.435   4.707
  257   2HB   LYS  35          2HB       LYS  35  -5.561   9.927   5.051
  258   1HG   LYS  35          1HG       LYS  35  -3.762   9.083   6.294
  259   2HG   LYS  35          2HG       LYS  35  -2.777  10.532   5.996
  260   1HD   LYS  35          1HD       LYS  35  -4.380  11.967   7.071
  261   2HD   LYS  35          2HD       LYS  35  -5.539  10.645   7.269
  262   1HE   LYS  35          1HE       LYS  35  -2.825  10.816   8.631
  263   2HE   LYS  35          2HE       LYS  35  -4.396  11.209   9.388
  264   1HZ   LYS  35          1HZ       LYS  35  -4.386   8.616   8.222
  265   2HZ   LYS  35          2HZ       LYS  35  -3.310   8.745   9.494
  266   3HZ   LYS  35          3HZ       LYS  35  -4.940   9.076   9.582
  267    H    LEU  36           H        LEU  36  -5.188   7.314   3.408
  268    HA   LEU  36           HA       LEU  36  -2.994   5.702   4.128
  269   1HB   LEU  36          1HB       LEU  36  -5.908   5.452   3.189
  270   2HB   LEU  36          2HB       LEU  36  -4.943   4.015   3.389
  271    HG   LEU  36           HG       LEU  36  -5.407   6.024   5.473
  272   1HD1  LEU  36          1HD1      LEU  36  -7.198   4.229   4.724
  273   2HD1  LEU  36          2HD1      LEU  36  -6.384   3.486   6.152
  274   3HD1  LEU  36          3HD1      LEU  36  -7.106   5.083   6.284
  275   1HD2  LEU  36          1HD2      LEU  36  -3.450   3.983   5.700
  276   2HD2  LEU  36          2HD2      LEU  36  -3.638   5.618   6.335
  277   3HD2  LEU  36          3HD2      LEU  36  -4.515   4.318   7.108
  278    H    VAL  37           H        VAL  37  -4.425   7.186   1.049
  279    HA   VAL  37           HA       VAL  37  -2.985   5.499  -0.513
  280    HB   VAL  37           HB       VAL  37  -3.552   6.689  -2.140
  281   1HG1  VAL  37          1HG1      VAL  37  -5.675   6.335  -0.635
  282   2HG1  VAL  37          2HG1      VAL  37  -5.988   7.765  -1.649
  283   3HG1  VAL  37          3HG1      VAL  37  -5.495   6.258  -2.363
  284   1HG2  VAL  37          1HG2      VAL  37  -2.424   8.666  -2.156
  285   2HG2  VAL  37          2HG2      VAL  37  -4.000   8.722  -2.932
  286   3HG2  VAL  37          3HG2      VAL  37  -3.789   9.464  -1.358
  287    H    THR  38           H        THR  38  -2.194   8.640   0.944
  288    HA   THR  38           HA       THR  38   0.397   8.836  -0.002
  289    HB   THR  38           HB       THR  38  -1.284  10.300   1.393
  290    HG1  THR  38           HG1      THR  38   0.289  10.715  -0.441
  291   1HG2  THR  38          1HG2      THR  38  -0.137   9.868   3.537
  292   2HG2  THR  38          2HG2      THR  38   1.412  10.331   2.790
  293   3HG2  THR  38          3HG2      THR  38   0.135  11.544   3.016
  294    H    HIS  39           H        HIS  39  -0.801   7.400   3.091
  295    HA   HIS  39           HA       HIS  39   1.806   6.593   3.989
  296   1HB   HIS  39          1HB       HIS  39  -0.654   6.348   5.110
  297   2HB   HIS  39          2HB       HIS  39  -0.456   4.776   4.375
  298    HD1  HIS  39           HD1      HIS  39   1.953   7.001   6.469
  299    HD2  HIS  39           HD2      HIS  39   0.602   3.041   6.033
  300    HE1  HIS  39           HE1      HIS  39   2.995   5.690   8.360
  301    H    PHE  40           H        PHE  40  -0.112   5.387   1.236
  302    HA   PHE  40           HA       PHE  40   1.533   2.985   1.103
  303   1HB   PHE  40          1HB       PHE  40  -0.735   3.304  -0.074
  304   2HB   PHE  40          2HB       PHE  40   0.155   4.200  -1.304
  305    HD1  PHE  40           HD1      PHE  40   2.320   3.042  -2.300
  306    HD2  PHE  40           HD2      PHE  40  -0.675   0.992  -0.027
  307    HE1  PHE  40           HE1      PHE  40   2.998   0.906  -3.324
  308    HE2  PHE  40           HE2      PHE  40   0.028  -1.187  -1.092
  309    HZ   PHE  40           HZ       PHE  40   1.751  -1.207  -2.796
  310    H    GLU  41           H        GLU  41   1.385   5.867  -0.821
  311    HA   GLU  41           HA       GLU  41   3.657   6.077  -2.270
  312   1HB   GLU  41          1HB       GLU  41   2.725   8.264  -0.757
  313   2HB   GLU  41          2HB       GLU  41   3.675   8.324  -2.239
  314   1HG   GLU  41          1HG       GLU  41   1.762   7.435  -3.459
  315   2HG   GLU  41          2HG       GLU  41   0.797   7.439  -2.016
  316    H    GLU  42           H        GLU  42   3.471   6.671   1.153
  317    HA   GLU  42           HA       GLU  42   5.933   7.870   1.613
  318   1HB   GLU  42          1HB       GLU  42   4.099   8.434   2.853
  319   2HB   GLU  42          2HB       GLU  42   3.992   6.739   3.080
  320   1HG   GLU  42          2HG       GLU  42   4.434   7.792   5.163
  321   2HG   GLU  42          1HG       GLU  42   5.654   6.637   4.725
  322    H    MET  43           H        MET  43   4.454   4.807   2.189
  323    HA   MET  43           HA       MET  43   6.336   3.919   3.877
  324   1HB   MET  43          1HB       MET  43   3.943   2.830   2.517
  325   2HB   MET  43          2HB       MET  43   4.998   1.608   2.976
  326   1HG   MET  43          1HG       MET  43   3.185   2.343   4.671
  327   2HG   MET  43          2HG       MET  43   4.799   1.993   5.280
  328   1HE   MET  43          1HE       MET  43   6.529   3.659   5.958
  329   2HE   MET  43          2HE       MET  43   6.038   5.131   6.829
  330   3HE   MET  43          3HE       MET  43   5.396   3.548   7.332
  331    H    THR  44           H        THR  44   5.850   2.978   0.565
  332    HA   THR  44           HA       THR  44   7.755   0.797   0.945
  333    HB   THR  44           HB       THR  44   5.667   0.139   0.248
  334    HG1  THR  44           HG1      THR  44   7.704   0.061  -1.564
  335   1HG2  THR  44          1HG2      THR  44   5.660   2.515  -1.574
  336   2HG2  THR  44          2HG2      THR  44   4.845   1.039  -2.139
  337   3HG2  THR  44          3HG2      THR  44   4.390   1.762  -0.614
  338    H    GLU  45           H        GLU  45   8.427   3.845   0.023
  339    HA   GLU  45           HA       GLU  45  10.002   4.804  -1.385
  340   1HB   GLU  45          1HB       GLU  45  11.311   2.137  -1.290
  341   2HB   GLU  45          2HB       GLU  45  12.099   3.629  -1.706
  342   1HG   GLU  45          1HG       GLU  45  12.082   4.379   0.592
  343   2HG   GLU  45          2HG       GLU  45  10.981   3.067   1.081
  344    H    HIS  46           H        HIS  46   7.633   3.479  -2.647
  345    HA   HIS  46           HA       HIS  46   8.831   1.773  -4.651
  346   1HB   HIS  46          1HB       HIS  46   6.868   0.904  -3.622
  347   2HB   HIS  46          2HB       HIS  46   5.923   2.338  -4.063
  348    HD1  HIS  46           HD1      HIS  46   4.806   2.301  -6.414
  349    HD2  HIS  46           HD2      HIS  46   7.661  -0.754  -5.855
  350    HE1  HIS  46           HE1      HIS  46   4.799   0.842  -8.526
  351    HA   PRO  47           HA       PRO  47   9.196   4.665  -8.124
  352   1HB   PRO  47          2HB       PRO  47   7.742   2.499  -9.613
  353   2HB   PRO  47          1HB       PRO  47   9.319   3.261  -9.946
  354   1HG   PRO  47          2HG       PRO  47   8.787   0.764  -8.425
  355   2HG   PRO  47          1HG       PRO  47  10.335   1.539  -8.825
  356   1HD   PRO  47          1HD       PRO  47   9.069   1.127  -6.489
  357   2HD   PRO  47          2HD       PRO  47  10.447   2.212  -6.724
  358    H    SER  48           H        SER  48   6.169   2.913  -8.006
  359    HA   SER  48           HA       SER  48   4.796   5.291  -9.038
  360   1HB   SER  48          1HB       SER  48   4.802   2.451  -9.794
  361   2HB   SER  48          2HB       SER  48   3.242   3.240  -9.892
  362    HG   SER  48           HG       SER  48   4.248   4.908 -11.087
  363    H    GLY  49           H        GLY  49   5.195   4.801  -6.291
  364   1HA   GLY  49          2HA       GLY  49   4.159   5.558  -4.426
  365   2HA   GLY  49          1HA       GLY  49   3.307   4.020  -4.456
  366    H    SER  50           H        SER  50   3.241   7.231  -6.132
  367    HA   SER  50           HA       SER  50   0.663   7.929  -5.348
  368   1HB   SER  50          1HB       SER  50   2.237   8.871  -7.775
  369   2HB   SER  50          2HB       SER  50   1.090   9.803  -6.797
  370    HG   SER  50           HG       SER  50   2.520   9.720  -5.071
  371    H    ASP  51           H        ASP  51   1.067   5.165  -7.500
  372    HA   ASP  51           HA       ASP  51  -0.749   6.207  -9.467
  373   1HB   ASP  51          2HB       ASP  51   1.714   4.517  -9.885
  374   2HB   ASP  51          1HB       ASP  51   0.728   5.160 -11.105
  375    H    LEU  52           H        LEU  52   0.768   3.546  -7.286
  376    HA   LEU  52           HA       LEU  52  -0.726   1.579  -8.911
  377   1HB   LEU  52          1HB       LEU  52   0.364   0.019  -7.333
  378   2HB   LEU  52          2HB       LEU  52   1.203   0.750  -8.704
  379    HG   LEU  52           HG       LEU  52   2.777   1.748  -7.436
  380   1HD1  LEU  52          1HD1      LEU  52   1.286   2.844  -5.718
  381   2HD1  LEU  52          2HD1      LEU  52   1.123   1.274  -4.940
  382   3HD1  LEU  52          3HD1      LEU  52   2.728   2.074  -5.061
  383   1HD2  LEU  52          1HD2      LEU  52   1.912  -0.743  -5.992
  384   2HD2  LEU  52          2HD2      LEU  52   2.958  -0.616  -7.429
  385   3HD2  LEU  52          3HD2      LEU  52   3.504   0.023  -5.868
  386    H    ILE  53           H        ILE  53  -2.359   3.327  -7.586
  387    HA   ILE  53           HA       ILE  53  -3.473   1.499  -5.626
  388    HB   ILE  53           HB       ILE  53  -3.103   4.421  -5.496
  389   1HG1  ILE  53          1HG1      ILE  53  -1.131   2.940  -4.858
  390   2HG1  ILE  53          2HG1      ILE  53  -1.856   3.732  -3.526
  391   1HG2  ILE  53          1HG2      ILE  53  -4.791   2.587  -3.774
  392   2HG2  ILE  53          2HG2      ILE  53  -4.300   4.265  -3.352
  393   3HG2  ILE  53          3HG2      ILE  53  -5.356   3.954  -4.746
  394   1HD1  ILE  53          1HD1      ILE  53  -2.516   0.975  -4.050
  395   2HD1  ILE  53          2HD1      ILE  53  -1.051   1.578  -3.265
  396   3HD1  ILE  53          3HD1      ILE  53  -2.694   2.017  -2.601
  397    H    TYR  54           H        TYR  54  -3.587   2.745  -8.719
  398    HA   TYR  54           HA       TYR  54  -6.185   2.345  -9.429
  399   1HB   TYR  54          1HB       TYR  54  -6.942   4.780  -9.506
  400   2HB   TYR  54          2HB       TYR  54  -7.193   3.726  -8.120
  401    HD1  TYR  54           HD1      TYR  54  -3.761   4.947  -8.733
  402    HD2  TYR  54           HD2      TYR  54  -7.261   5.566  -6.303
  403    HE1  TYR  54           HE1      TYR  54  -2.541   6.147  -7.495
  404    HE2  TYR  54           HE2      TYR  54  -5.794   6.813  -4.736
  405    HH   TYR  54           HH       TYR  54  -2.420   7.680  -5.563
  406    H    TYR  55           H        TYR  55  -3.206   4.020 -10.332
  407    HA   TYR  55           HA       TYR  55  -4.145   4.667 -13.019
  408   1HB   TYR  55          1HB       TYR  55  -1.335   4.222 -11.955
  409   2HB   TYR  55          2HB       TYR  55  -1.741   4.694 -13.581
  410    HD1  TYR  55           HD1      TYR  55  -3.445   6.492 -10.723
  411    HD2  TYR  55           HD2      TYR  55  -0.112   6.351 -13.486
  412    HE1  TYR  55           HE1      TYR  55  -2.555   8.592  -9.791
  413    HE2  TYR  55           HE2      TYR  55   0.736   8.458 -12.562
  414    HH   TYR  55           HH       TYR  55   0.606   9.222 -10.141
  415    HA   PRO  56           HA       PRO  56  -1.923   0.463 -13.901
  416   1HB   PRO  56          1HB       PRO  56  -2.053  -1.541 -12.051
  417   2HB   PRO  56          2HB       PRO  56  -0.726  -0.349 -12.084
  418   1HG   PRO  56          2HG       PRO  56  -3.328  -0.071 -10.473
  419   2HG   PRO  56          1HG       PRO  56  -1.644  -0.070  -9.847
  420   1HD   PRO  56          1HD       PRO  56  -2.838   2.104 -10.337
  421   2HD   PRO  56          2HD       PRO  56  -1.174   1.967 -10.997
  422    H    LYS  57           H        LYS  57  -3.076  -1.646 -14.429
  423    HA   LYS  57           HA       LYS  57  -5.122  -2.977 -13.704
  424   1HB   LYS  57          1HB       LYS  57  -6.532  -1.194 -13.209
  425   2HB   LYS  57          2HB       LYS  57  -6.417  -0.559 -14.845
  426   1HG   LYS  57          1HG       LYS  57  -7.570  -2.702 -15.660
  427   2HG   LYS  57          2HG       LYS  57  -7.463  -3.335 -14.009
  428   1HD   LYS  57          1HD       LYS  57  -9.530  -2.546 -13.906
  429   2HD   LYS  57          2HD       LYS  57  -8.681  -1.099 -13.382
  430   1HE   LYS  57          2HE       LYS  57 -10.055  -1.681 -16.029
  431   2HE   LYS  57          1HE       LYS  57 -10.232  -0.254 -14.987
  432   1HZ   LYS  57          1HZ       LYS  57  -7.894   0.306 -15.738
  433   2HZ   LYS  57          2HZ       LYS  57  -8.003  -0.957 -16.793
  434   3HZ   LYS  57          3HZ       LYS  57  -8.946   0.269 -17.024
  435    H    GLU  58           H        GLU  58  -3.983  -1.179 -16.234
  436    HA   GLU  58           HA       GLU  58  -5.327  -2.763 -18.079
  437   1HB   GLU  58          1HB       GLU  58  -4.965  -0.254 -17.913
  438   2HB   GLU  58          2HB       GLU  58  -3.774  -0.758 -19.185
  439   1HG   GLU  58          1HG       GLU  58  -5.678  -0.356 -20.467
  440   2HG   GLU  58          2HG       GLU  58  -5.821  -2.087 -20.129
  441    H    GLY  59           H        GLY  59  -2.674  -3.073 -17.303
  442   1HA   GLY  59          2HA       GLY  59  -1.127  -4.516 -19.179
  443   2HA   GLY  59          1HA       GLY  59  -2.430  -5.565 -18.503
  444    H    ASP  60           H        ASP  60  -2.464  -3.809 -16.020
  445    HA   ASP  60           HA       ASP  60   0.164  -4.297 -14.736
  446   1HB   ASP  60          1HB       ASP  60  -1.497  -1.773 -14.993
  447   2HB   ASP  60          2HB       ASP  60  -0.119  -1.919 -13.913
  448    H    ASP  61           H        ASP  61   0.023  -5.047 -13.037
  449    HA   ASP  61           HA       ASP  61  -2.115  -6.178 -11.753
  450   1HB   ASP  61          1HB       ASP  61   0.308  -6.825 -11.761
  451   2HB   ASP  61          2HB       ASP  61   0.264  -5.805 -10.339
  452    H    ASP  62           H        ASP  62  -3.827  -4.767 -11.067
  453    HA   ASP  62           HA       ASP  62  -3.174  -2.471  -9.234
  454   1HB   ASP  62          2HB       ASP  62  -5.104  -1.453 -10.425
  455   2HB   ASP  62          1HB       ASP  62  -4.098  -2.180 -11.638
  456    H    SER  63           H        SER  63  -5.085  -5.451  -9.463
  457    HA   SER  63           HA       SER  63  -7.466  -4.516  -8.229
  458   1HB   SER  63          1HB       SER  63  -6.146  -7.225  -7.814
  459   2HB   SER  63          2HB       SER  63  -7.847  -6.864  -7.527
  460    HG   SER  63           HG       SER  63  -6.939  -6.141 -10.054
  461    HA   PRO  64           HA       PRO  64  -6.481  -3.178  -4.201
  462   1HB   PRO  64          2HB       PRO  64  -8.081  -5.481  -3.019
  463   2HB   PRO  64          1HB       PRO  64  -8.002  -3.783  -2.523
  464   1HG   PRO  64          1HG       PRO  64 -10.059  -4.582  -4.103
  465   2HG   PRO  64          2HG       PRO  64  -9.165  -3.107  -4.623
  466   1HD   PRO  64          2HD       PRO  64  -8.699  -5.971  -5.448
  467   2HD   PRO  64          1HD       PRO  64  -8.886  -4.565  -6.540
  468    H    SER  65           H        SER  65  -5.728  -6.205  -4.887
  469    HA   SER  65           HA       SER  65  -3.589  -6.781  -3.048
  470   1HB   SER  65          1HB       SER  65  -3.959  -9.002  -4.199
  471   2HB   SER  65          2HB       SER  65  -5.317  -8.437  -3.141
  472    HG   SER  65           HG       SER  65  -5.998  -9.287  -5.224
  473    H    GLY  66           H        GLY  66  -4.167  -6.843  -6.468
  474   1HA   GLY  66          2HA       GLY  66  -2.972  -6.658  -8.229
  475   2HA   GLY  66          1HA       GLY  66  -1.727  -7.596  -7.437
  476    H    ILE  67           H        ILE  67  -3.137  -4.333  -6.661
  477    HA   ILE  67           HA       ILE  67  -0.768  -3.035  -7.401
  478    HB   ILE  67           HB       ILE  67  -1.531  -1.332  -5.581
  479   1HG1  ILE  67          1HG1      ILE  67  -3.576  -3.335  -5.083
  480   2HG1  ILE  67          2HG1      ILE  67  -2.766  -2.131  -4.243
  481   1HG2  ILE  67          1HG2      ILE  67  -2.035  -1.205  -8.093
  482   2HG2  ILE  67          2HG2      ILE  67  -3.671  -1.735  -7.576
  483   3HG2  ILE  67          3HG2      ILE  67  -3.107  -0.245  -7.027
  484   1HD1  ILE  67          1HD1      ILE  67  -4.271  -0.342  -5.058
  485   2HD1  ILE  67          2HD1      ILE  67  -5.145  -1.521  -6.050
  486   3HD1  ILE  67          3HD1      ILE  67  -5.219  -1.613  -4.322
  487    H    VAL  68           H        VAL  68  -1.640  -4.473  -4.440
  488    HA   VAL  68           HA       VAL  68   0.792  -3.401  -3.014
  489    HB   VAL  68           HB       VAL  68  -0.956  -5.756  -2.212
  490   1HG1  VAL  68          1HG1      VAL  68   1.093  -4.361  -0.911
  491   2HG1  VAL  68          2HG1      VAL  68  -0.291  -3.499  -0.325
  492   3HG1  VAL  68          3HG1      VAL  68  -0.216  -5.237  -0.040
  493   1HG2  VAL  68          1HG2      VAL  68  -1.872  -2.924  -2.216
  494   2HG2  VAL  68          2HG2      VAL  68  -2.711  -4.366  -2.815
  495   3HG2  VAL  68          3HG2      VAL  68  -2.551  -4.117  -1.089
  496    H    ASN  69           H        ASN  69  -0.234  -5.836  -4.968
  497    HA   ASN  69           HA       ASN  69   1.939  -7.734  -4.821
  498   1HB   ASN  69          1HB       ASN  69  -0.388  -7.628  -5.930
  499   2HB   ASN  69          2HB       ASN  69   0.813  -7.754  -7.241
  500   2HD2  ASN  69          2HD2      ASN  69  -1.236  -9.627  -6.337
  501   1HD2  ASN  69          1HD2      ASN  69  -0.438 -11.066  -5.684
  502    H    THR  70           H        THR  70   1.390  -4.658  -6.546
  503    HA   THR  70           HA       THR  70   3.273  -5.407  -8.436
  504    HB   THR  70           HB       THR  70   2.065  -2.737  -7.644
  505    HG1  THR  70           HG1      THR  70   0.696  -3.898  -9.054
  506   1HG2  THR  70          1HG2      THR  70   4.014  -3.069  -9.963
  507   2HG2  THR  70          2HG2      THR  70   3.001  -1.646  -9.642
  508   3HG2  THR  70          3HG2      THR  70   4.283  -2.082  -8.509
  509    H    VAL  71           H        VAL  71   3.217  -3.806  -5.390
  510    HA   VAL  71           HA       VAL  71   5.951  -2.948  -5.172
  511    HB   VAL  71           HB       VAL  71   3.837  -3.560  -2.973
  512   1HG1  VAL  71          1HG1      VAL  71   6.418  -2.172  -2.922
  513   2HG1  VAL  71          2HG1      VAL  71   5.205  -2.304  -1.596
  514   3HG1  VAL  71          3HG1      VAL  71   6.016  -3.777  -2.191
  515   1HG2  VAL  71          1HG2      VAL  71   4.838  -1.199  -4.587
  516   2HG2  VAL  71          2HG2      VAL  71   3.168  -1.816  -4.449
  517   3HG2  VAL  71          3HG2      VAL  71   3.976  -1.039  -3.039
  518    H    LYS  72           H        LYS  72   3.981  -5.812  -4.326
  519    HA   LYS  72           HA       LYS  72   6.217  -7.136  -3.208
  520   1HB   LYS  72          1HB       LYS  72   3.537  -7.865  -3.865
  521   2HB   LYS  72          2HB       LYS  72   4.575  -9.211  -4.339
  522   1HG   LYS  72          1HG       LYS  72   4.208  -9.463  -1.975
  523   2HG   LYS  72          2HG       LYS  72   5.789  -8.684  -2.062
  524   1HD   LYS  72          1HD       LYS  72   4.969  -7.072  -0.892
  525   2HD   LYS  72          2HD       LYS  72   4.036  -6.510  -2.153
  526   1HE   LYS  72          1HE       LYS  72   2.168  -8.093  -1.795
  527   2HE   LYS  72          2HE       LYS  72   2.898  -8.612  -0.286
  528   1HZ   LYS  72          1HZ       LYS  72   1.977  -5.894  -0.963
  529   2HZ   LYS  72          2HZ       LYS  72   1.229  -6.939   0.080
  530   3HZ   LYS  72          3HZ       LYS  72   2.670  -6.313   0.494
  531    H    GLN  73           H        GLN  73   5.999  -6.420  -6.176
  532    HA   GLN  73           HA       GLN  73   7.741  -8.324  -7.230
  533   1HB   GLN  73          1HB       GLN  73   5.694  -6.600  -8.636
  534   2HB   GLN  73          2HB       GLN  73   6.801  -7.715  -9.478
  535   1HG   GLN  73          1HG       GLN  73   6.105  -9.480  -7.873
  536   2HG   GLN  73          2HG       GLN  73   4.972  -8.556  -7.163
  537   2HE2  GLN  73          2HE2      GLN  73   3.011  -8.276  -7.853
  538   1HE2  GLN  73          1HE2      GLN  73   2.266  -8.905  -9.298
  539    H    TRP  74           H        TRP  74   7.319  -4.861  -7.172
  540    HA   TRP  74           HA       TRP  74   9.899  -4.024  -8.095
  541   1HB   TRP  74          1HB       TRP  74   7.982  -2.528  -7.918
  542   2HB   TRP  74          2HB       TRP  74   8.350  -2.587  -6.180
  543    HD1  TRP  74           HD1      TRP  74   9.873  -1.611  -9.520
  544    HE1  TRP  74           HE1      TRP  74  12.055  -0.311  -9.271
  545    HE3  TRP  74           HE3      TRP  74   9.838  -1.146  -4.485
  546    HZ2  TRP  74           HZ2      TRP  74  13.360   1.134  -7.168
  547    HZ3  TRP  74           HZ3      TRP  74  11.352   0.425  -3.451
  548    HH2  TRP  74           HH2      TRP  74  13.112   1.626  -4.746
  549    H    ARG  75           H        ARG  75   8.542  -4.227  -4.771
  550    HA   ARG  75           HA       ARG  75  11.067  -4.252  -3.457
  551   1HB   ARG  75          1HB       ARG  75   8.316  -5.470  -2.649
  552   2HB   ARG  75          2HB       ARG  75   9.664  -5.578  -1.647
  553   1HG   ARG  75          1HG       ARG  75   9.691  -3.028  -1.407
  554   2HG   ARG  75          2HG       ARG  75   8.241  -3.004  -2.304
  555   1HD   ARG  75          1HD       ARG  75   8.352  -2.968   0.295
  556   2HD   ARG  75          2HD       ARG  75   7.077  -3.945  -0.428
  557    HE   ARG  75           HE       ARG  75   9.231  -4.770   1.251
  558   1HH1  ARG  75          1HH1      ARG  75   7.146  -6.145  -1.338
  559   2HH1  ARG  75          2HH1      ARG  75   6.960  -7.634  -0.407
  560   1HH2  ARG  75          1HH2      ARG  75   9.094  -6.822   2.112
  561   2HH2  ARG  75          2HH2      ARG  75   8.034  -8.033   1.375
  562    H    ALA  76           H        ALA  76   9.762  -6.582  -5.289
  563    HA   ALA  76           HA       ALA  76  11.327  -8.632  -3.840
  564   1HB   ALA  76          1HB       ALA  76   9.273  -9.084  -6.016
  565   2HB   ALA  76          3HB       ALA  76  10.262 -10.386  -5.354
  566   3HB   ALA  76          2HB       ALA  76   9.148  -9.524  -4.284
  567    H    ALA  77           H        ALA  77  11.285  -6.872  -6.623
  568    HA   ALA  77           HA       ALA  77  13.497  -8.463  -7.783
  569   1HB   ALA  77          1HB       ALA  77  11.614  -7.699  -9.322
  570   2HB   ALA  77          3HB       ALA  77  11.973  -6.019  -8.890
  571   3HB   ALA  77          2HB       ALA  77  13.154  -6.954  -9.824
  572    H    ASN  78           H        ASN  78  12.816  -5.436  -6.468
  573    HA   ASN  78           HA       ASN  78  15.527  -4.527  -6.384
  574   1HB   ASN  78          1HB       ASN  78  13.157  -3.240  -6.509
  575   2HB   ASN  78          2HB       ASN  78  13.085  -3.591  -4.839
  576   2HD2  ASN  78          2HD2      ASN  78  15.682  -3.029  -3.812
  577   1HD2  ASN  78          1HD2      ASN  78  16.203  -1.432  -4.341
  578    H    GLY  79           H        GLY  79  13.538  -6.548  -4.935
  579   1HA   GLY  79          2HA       GLY  79  15.517  -7.701  -3.188
  580   2HA   GLY  79          1HA       GLY  79  13.793  -8.112  -3.118
  581    H    LYS  80           H        LYS  80  13.044  -5.407  -2.719
  582    HA   LYS  80           HA       LYS  80  14.134  -3.758  -0.795
  583   1HB   LYS  80          1HB       LYS  80  11.317  -4.199  -0.685
  584   2HB   LYS  80          2HB       LYS  80  12.201  -2.833   0.020
  585   1HG   LYS  80          1HG       LYS  80  12.703  -3.540  -2.831
  586   2HG   LYS  80          2HG       LYS  80  11.314  -2.671  -2.490
  587   1HD   LYS  80          1HD       LYS  80  13.868  -2.005  -2.106
  588   2HD   LYS  80          2HD       LYS  80  12.974  -1.589  -3.435
  589   1HE   LYS  80          1HE       LYS  80  11.420  -0.360  -1.965
  590   2HE   LYS  80          2HE       LYS  80  12.209  -0.798  -0.658
  591   1HZ   LYS  80          1HZ       LYS  80  14.256   0.436  -2.023
  592   2HZ   LYS  80          2HZ       LYS  80  12.925   1.416  -2.209
  593   3HZ   LYS  80          3HZ       LYS  80  13.449   1.017  -0.741
  594    H    SER  81           H        SER  81  11.950  -6.153   0.009
  595    HA   SER  81           HA       SER  81  11.398  -7.708   1.565
  596   1HB   SER  81          2HB       SER  81  12.914  -8.519   3.206
  597   2HB   SER  81          1HB       SER  81  13.810  -8.306   1.715
  598    HG   SER  81           HG       SER  81  14.516  -6.238   2.603
  599    H    GLY  82           H        GLY  82  12.551  -6.702   4.064
  600   1HA   GLY  82          2HA       GLY  82  11.758  -4.221   4.639
  601   2HA   GLY  82          1HA       GLY  82  11.927  -5.469   5.956
  602    H    PHE  83           H        PHE  83   9.339  -6.623   4.856
  603    HA   PHE  83           HA       PHE  83   7.680  -4.866   6.501
  604   1HB   PHE  83          2HB       PHE  83   6.715  -7.409   5.120
  605   2HB   PHE  83          1HB       PHE  83   5.984  -6.303   6.115
  606    HD1  PHE  83           HD1      PHE  83   4.593  -4.433   5.613
  607    HD2  PHE  83           HD2      PHE  83   6.728  -6.822   2.873
  608    HE1  PHE  83           HE1      PHE  83   3.606  -3.286   3.839
  609    HE2  PHE  83           HE2      PHE  83   5.859  -5.573   0.993
  610    HZ   PHE  83           HZ       PHE  83   4.278  -3.687   1.349
  611    H    LYS  84           H        LYS  84   6.331  -7.166   7.338
  612    HA   LYS  84           HA       LYS  84   7.763  -8.225   9.547
  613   1HB   LYS  84          1HB       LYS  84   6.655  -5.970   9.331
  614   2HB   LYS  84          2HB       LYS  84   5.279  -7.036   9.690
  615   1HG   LYS  84          1HG       LYS  84   6.813  -7.978  11.632
  616   2HG   LYS  84          2HG       LYS  84   7.928  -6.648  11.218
  617   1HD   LYS  84          1HD       LYS  84   6.008  -5.131  11.360
  618   2HD   LYS  84          2HD       LYS  84   5.044  -6.484  12.028
  619   1HE   LYS  84          1HE       LYS  84   6.884  -6.643  13.816
  620   2HE   LYS  84          2HE       LYS  84   7.480  -5.069  13.199
  621   1HZ   LYS  84          1HZ       LYS  84   5.153  -4.278  13.667
  622   2HZ   LYS  84          2HZ       LYS  84   4.918  -5.716  14.484
  623   3HZ   LYS  84          3HZ       LYS  84   6.039  -4.553  14.976
  624    H    GLN  85           H        GLN  85   5.913  -9.163  10.693
  625    HA   GLN  85           HA       GLN  85   4.598 -11.405   9.313
  626   1HB   GLN  85          1HB       GLN  85   6.833 -11.805  10.395
  627   2HB   GLN  85          2HB       GLN  85   5.515 -12.625  11.307
  628   1HG   GLN  85          1HG       GLN  85   4.817 -13.761   9.364
  629   2HG   GLN  85          2HG       GLN  85   5.937 -12.822   8.349
  630   2HE2  GLN  85          2HE2      GLN  85   7.945 -13.752   7.898
  631   1HE2  GLN  85          1HE2      GLN  85   8.579 -15.121   8.812
  632    H    GLY  86           H        GLY  86   5.357  -9.934  12.349
  633   1HA   GLY  86          2HA       GLY  86   3.142 -10.022  13.958
  634   2HA   GLY  86          1HA       GLY  86   2.827  -8.763  12.730

  No H/Q in entry =         634
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -7.614   3.903   9.849
    2    H2   MET   1           H2       MET   1  -6.313   3.764   8.940
    3    H3   MET   1           H3       MET   1  -7.551   2.666   8.775
    4    HA   MET   1           HA       MET   1  -7.176   1.864  11.003
    5   1HB   MET   1          1HB       MET   1  -5.136   0.621  10.661
    6   2HB   MET   1          2HB       MET   1  -6.154   0.633   9.231
    7   1HG   MET   1          1HG       MET   1  -4.734   2.153   8.085
    8   2HG   MET   1          2HG       MET   1  -3.818   2.547   9.533
    9   1HE   MET   1          1HE       MET   1  -4.884  -0.747   7.542
   10   2HE   MET   1          2HE       MET   1  -3.486  -1.788   7.901
   11   3HE   MET   1          3HE       MET   1  -4.583  -1.303   9.204
   12    H    GLU   2           H        GLU   2  -4.273   1.817  12.037
   13    HA   GLU   2           HA       GLU   2  -4.180   4.504  13.238
   14   1HB   GLU   2          1HB       GLU   2  -1.864   3.107  14.000
   15   2HB   GLU   2          2HB       GLU   2  -3.247   3.556  14.951
   16   1HG   GLU   2          1HG       GLU   2  -2.855   1.299  15.403
   17   2HG   GLU   2          2HG       GLU   2  -4.322   1.345  14.442
   18    H    LEU   3           H        LEU   3  -1.213   2.601  11.858
   19    HA   LEU   3           HA       LEU   3  -0.618   2.680   9.772
   20   1HB   LEU   3          1HB       LEU   3  -0.581   5.592  10.621
   21   2HB   LEU   3          2HB       LEU   3   0.594   4.904   9.515
   22    HG   LEU   3           HG       LEU   3  -2.388   4.971   8.968
   23   1HD1  LEU   3          1HD1      LEU   3  -1.176   7.141   8.818
   24   2HD1  LEU   3          2HD1      LEU   3   0.006   6.423   7.772
   25   3HD1  LEU   3          3HD1      LEU   3  -1.642   6.585   7.184
   26   1HD2  LEU   3          1HD2      LEU   3  -0.322   3.267   7.821
   27   2HD2  LEU   3          2HD2      LEU   3  -2.060   3.155   7.766
   28   3HD2  LEU   3          3HD2      LEU   3  -1.210   4.214   6.624
   29    H    LYS   4           H        LYS   4   1.893   3.589   9.862
   30    HA   LYS   4           HA       LYS   4   2.809   2.659  12.406
   31   1HB   LYS   4          1HB       LYS   4   2.414   1.137   9.999
   32   2HB   LYS   4          2HB       LYS   4   4.092   1.277  10.356
   33   1HG   LYS   4          1HG       LYS   4   3.470  -0.707  11.332
   34   2HG   LYS   4          2HG       LYS   4   3.572   0.450  12.710
   35   1HD   LYS   4          1HD       LYS   4   1.306   0.515  12.930
   36   2HD   LYS   4          2HD       LYS   4   1.063  -0.312  11.322
   37   1HE   LYS   4          1HE       LYS   4   2.065  -2.335  12.358
   38   2HE   LYS   4          2HE       LYS   4   2.024  -1.507  13.926
   39   1HZ   LYS   4          1HZ       LYS   4  -0.501  -1.276  13.271
   40   2HZ   LYS   4          2HZ       LYS   4  -0.158  -2.579  12.286
   41   3HZ   LYS   4          3HZ       LYS   4   0.063  -2.708  13.855
   42    H    HIS   5           H        HIS   5   5.375   2.465  12.045
   43    HA   HIS   5           HA       HIS   5   6.136   5.116  11.015
   44   1HB   HIS   5          2HB       HIS   5   8.229   3.335  12.134
   45   2HB   HIS   5          1HB       HIS   5   7.995   5.046  12.297
   46    HD1  HIS   5           HD1      HIS   5   5.780   5.589  14.164
   47    HD2  HIS   5           HD2      HIS   5   7.437   1.780  13.812
   48    HE1  HIS   5           HE1      HIS   5   4.926   4.281  16.208
   49    H    SER   6           H        SER   6   6.298   1.883  10.509
   50    HA   SER   6           HA       SER   6   7.990   2.071   8.252
   51   1HB   SER   6          2HB       SER   6   8.023  -0.424   9.646
   52   2HB   SER   6          1HB       SER   6   9.130   0.728   9.050
   53    HG   SER   6           HG       SER   6   8.398   0.458  11.711
   54    H    ILE   7           H        ILE   7   7.687   0.687   6.615
   55    HA   ILE   7           HA       ILE   7   5.323  -0.714   6.229
   56    HB   ILE   7           HB       ILE   7   7.287   0.027   4.649
   57   1HG1  ILE   7          1HG1      ILE   7   5.805  -2.564   4.323
   58   2HG1  ILE   7          2HG1      ILE   7   5.232  -0.951   3.881
   59   1HG2  ILE   7          1HG2      ILE   7   9.008  -1.453   5.913
   60   2HG2  ILE   7          2HG2      ILE   7   8.250  -2.829   5.083
   61   3HG2  ILE   7          3HG2      ILE   7   9.006  -1.510   4.155
   62   1HD1  ILE   7          1HD1      ILE   7   7.297  -0.887   2.366
   63   2HD1  ILE   7          2HD1      ILE   7   7.372  -2.654   2.655
   64   3HD1  ILE   7          3HD1      ILE   7   5.920  -1.944   1.901
   65    H    SER   8           H        SER   8   7.473  -1.374   8.611
   66    HA   SER   8           HA       SER   8   7.297  -4.206   8.460
   67   1HB   SER   8          1HB       SER   8   9.176  -4.158   8.045
   68   2HB   SER   8          2HB       SER   8   9.175  -2.503   8.030
   69    HG   SER   8           HG       SER   8   9.701  -3.964  10.392
   70    H    ASP   9           H        ASP   9   6.517  -1.415  10.454
   71    HA   ASP   9           HA       ASP   9   6.328  -3.230  12.750
   72   1HB   ASP   9          1HB       ASP   9   5.432  -0.399  12.139
   73   2HB   ASP   9          2HB       ASP   9   4.753  -1.242  13.537
   74    H    TYR  10           H        TYR  10   4.830  -3.016   9.735
   75    HA   TYR  10           HA       TYR  10   2.470  -4.388  10.916
   76   1HB   TYR  10          1HB       TYR  10   0.899  -3.482   9.576
   77   2HB   TYR  10          2HB       TYR  10   1.786  -2.167  10.236
   78    HD1  TYR  10           HD1      TYR  10   3.904  -2.944   7.635
   79    HD2  TYR  10           HD2      TYR  10  -0.185  -1.719   8.276
   80    HE1  TYR  10           HE1      TYR  10   3.877  -1.864   5.458
   81    HE2  TYR  10           HE2      TYR  10  -0.123  -0.489   6.124
   82    HH   TYR  10           HH       TYR  10   2.788   0.655   5.008
   83    H    THR  11           H        THR  11   1.685  -6.224   9.455
   84    HA   THR  11           HA       THR  11   3.999  -7.341   7.976
   85    HB   THR  11           HB       THR  11   3.224  -9.346   8.365
   86    HG1  THR  11           HG1      THR  11   1.079 -10.047   8.126
   87   1HG2  THR  11          1HG2      THR  11   2.840  -8.546  10.565
   88   2HG2  THR  11          2HG2      THR  11   1.120  -8.229  10.162
   89   3HG2  THR  11          3HG2      THR  11   1.749  -9.855  10.145
   90    H    GLU  12           H        GLU  12   3.376  -8.612   5.899
   91    HA   GLU  12           HA       GLU  12   2.701  -6.563   4.028
   92   1HB   GLU  12          1HB       GLU  12   4.319  -8.598   3.814
   93   2HB   GLU  12          2HB       GLU  12   2.856  -9.530   3.405
   94   1HG   GLU  12          1HG       GLU  12   2.333  -7.710   1.679
   95   2HG   GLU  12          2HG       GLU  12   3.728  -6.937   2.099
   96    H    ALA  13           H        ALA  13   0.818  -8.890   5.642
   97    HA   ALA  13           HA       ALA  13  -1.483  -8.825   3.756
   98   1HB   ALA  13          1HB       ALA  13  -1.060 -10.950   4.984
   99   2HB   ALA  13          3HB       ALA  13  -1.204 -10.080   6.533
  100   3HB   ALA  13          2HB       ALA  13  -2.608 -10.219   5.458
  101    H    GLU  14           H        GLU  14  -0.272  -7.529   6.801
  102    HA   GLU  14           HA       GLU  14  -2.516  -6.078   7.635
  103   1HB   GLU  14          1HB       GLU  14   0.046  -6.648   8.527
  104   2HB   GLU  14          2HB       GLU  14   0.252  -4.964   8.043
  105   1HG   GLU  14          1HG       GLU  14  -1.441  -4.232   9.463
  106   2HG   GLU  14          2HG       GLU  14  -1.937  -5.917   9.848
  107    H    PHE  15           H        PHE  15   0.110  -5.258   5.451
  108    HA   PHE  15           HA       PHE  15  -0.891  -2.618   4.753
  109   1HB   PHE  15          1HB       PHE  15   1.397  -3.200   4.693
  110   2HB   PHE  15          2HB       PHE  15   1.133  -4.560   3.620
  111    HD1  PHE  15           HD1      PHE  15   0.169  -0.875   3.448
  112    HD2  PHE  15           HD2      PHE  15   1.951  -4.266   1.510
  113    HE1  PHE  15           HE1      PHE  15   1.113   0.618   1.725
  114    HE2  PHE  15           HE2      PHE  15   2.832  -2.761  -0.281
  115    HZ   PHE  15           HZ       PHE  15   2.558  -0.308  -0.068
  116    H    LEU  16           H        LEU  16  -1.251  -5.931   3.453
  117    HA   LEU  16           HA       LEU  16  -2.174  -5.043   0.860
  118   1HB   LEU  16          1HB       LEU  16  -1.350  -7.286   1.386
  119   2HB   LEU  16          2HB       LEU  16  -2.725  -7.559   2.457
  120    HG   LEU  16           HG       LEU  16  -4.259  -7.778   0.759
  121   1HD1  LEU  16          1HD1      LEU  16  -3.664  -5.844  -0.698
  122   2HD1  LEU  16          2HD1      LEU  16  -2.297  -6.793  -1.352
  123   3HD1  LEU  16          3HD1      LEU  16  -3.999  -7.311  -1.552
  124   1HD2  LEU  16          1HD2      LEU  16  -2.567  -9.674   0.770
  125   2HD2  LEU  16          2HD2      LEU  16  -3.223  -9.444  -0.855
  126   3HD2  LEU  16          3HD2      LEU  16  -1.598  -8.833  -0.455
  127    H    GLN  17           H        GLN  17  -3.646  -5.585   3.993
  128    HA   GLN  17           HA       GLN  17  -6.203  -5.344   3.329
  129   1HB   GLN  17          1HB       GLN  17  -5.727  -6.529   5.332
  130   2HB   GLN  17          2HB       GLN  17  -4.605  -5.272   5.897
  131   1HG   GLN  17          1HG       GLN  17  -6.330  -3.740   6.335
  132   2HG   GLN  17          2HG       GLN  17  -7.547  -4.777   5.551
  133   2HE2  GLN  17          2HE2      GLN  17  -8.046  -3.748   8.071
  134   1HE2  GLN  17          1HE2      GLN  17  -7.918  -5.041   9.261
  135    H    LEU  18           H        LEU  18  -3.583  -3.229   4.245
  136    HA   LEU  18           HA       LEU  18  -5.126  -1.023   4.847
  137   1HB   LEU  18          1HB       LEU  18  -2.867  -1.296   5.534
  138   2HB   LEU  18          2HB       LEU  18  -2.294  -1.046   3.881
  139    HG   LEU  18           HG       LEU  18  -2.609   0.835   5.697
  140   1HD1  LEU  18          1HD1      LEU  18  -1.422   1.118   3.563
  141   2HD1  LEU  18          2HD1      LEU  18  -2.970   1.330   2.731
  142   3HD1  LEU  18          3HD1      LEU  18  -2.403   2.542   3.883
  143   1HD2  LEU  18          1HD2      LEU  18  -5.143   0.666   5.753
  144   2HD2  LEU  18          2HD2      LEU  18  -4.269   2.072   5.965
  145   3HD2  LEU  18          3HD2      LEU  18  -4.976   1.784   4.357
  146    H    VAL  19           H        VAL  19  -3.677  -2.157   1.898
  147    HA   VAL  19           HA       VAL  19  -4.058   0.123  -0.066
  148    HB   VAL  19           HB       VAL  19  -3.612  -2.834  -0.221
  149   1HG1  VAL  19          1HG1      VAL  19  -4.049  -0.696  -2.371
  150   2HG1  VAL  19          2HG1      VAL  19  -3.449  -2.335  -2.640
  151   3HG1  VAL  19          3HG1      VAL  19  -5.073  -2.128  -2.099
  152   1HG2  VAL  19          1HG2      VAL  19  -1.892  -0.927   0.554
  153   2HG2  VAL  19          2HG2      VAL  19  -1.384  -2.066  -0.636
  154   3HG2  VAL  19          3HG2      VAL  19  -1.975  -0.466  -1.152
  155    H    THR  20           H        THR  20  -5.734  -2.839   1.101
  156    HA   THR  20           HA       THR  20  -8.121  -2.799  -0.435
  157    HB   THR  20           HB       THR  20  -6.739  -4.176   1.757
  158    HG1  THR  20           HG1      THR  20  -6.378  -4.954  -0.135
  159   1HG2  THR  20          1HG2      THR  20  -8.663  -4.154   2.982
  160   2HG2  THR  20          2HG2      THR  20  -9.578  -4.878   1.613
  161   3HG2  THR  20          3HG2      THR  20  -8.233  -5.762   2.411
  162    H    THR  21           H        THR  21  -7.264  -1.252   2.721
  163    HA   THR  21           HA       THR  21  -9.904  -0.430   3.454
  164    HB   THR  21           HB       THR  21  -7.117  -0.294   4.292
  165    HG1  THR  21           HG1      THR  21  -9.137   0.045   6.141
  166   1HG2  THR  21          1HG2      THR  21  -8.722   2.235   4.794
  167   2HG2  THR  21          2HG2      THR  21  -7.352   1.699   5.760
  168   3HG2  THR  21          3HG2      THR  21  -7.154   2.074   4.031
  169    H    ILE  22           H        ILE  22  -7.496   0.733   1.206
  170    HA   ILE  22           HA       ILE  22  -8.592   3.409   0.913
  171    HB   ILE  22           HB       ILE  22  -6.600   2.195  -1.027
  172   1HG1  ILE  22          1HG1      ILE  22  -6.072   2.868   1.852
  173   2HG1  ILE  22          2HG1      ILE  22  -5.451   1.574   0.812
  174   1HG2  ILE  22          1HG2      ILE  22  -7.680   4.461  -1.302
  175   2HG2  ILE  22          2HG2      ILE  22  -6.756   4.977   0.132
  176   3HG2  ILE  22          3HG2      ILE  22  -5.916   4.403  -1.337
  177   1HD1  ILE  22          1HD1      ILE  22  -4.029   3.168  -0.380
  178   2HD1  ILE  22          2HD1      ILE  22  -4.634   4.425   0.725
  179   3HD1  ILE  22          3HD1      ILE  22  -3.687   3.073   1.367
  180    H    CYS  23           H        CYS  23  -8.155   0.437  -1.080
  181    HA   CYS  23           HA       CYS  23 -10.116   1.064  -3.039
  182   1HB   CYS  23          2HB       CYS  23  -9.404  -1.727  -1.989
  183   2HB   CYS  23          1HB       CYS  23 -10.142  -1.302  -3.522
  184    HG   CYS  23           HG       CYS  23  -8.093   0.083  -4.470
  185    H    ASN  24           H        ASN  24 -10.407   0.472   0.361
  186    HA   ASN  24           HA       ASN  24 -13.359  -0.165  -0.094
  187   1HB   ASN  24          1HB       ASN  24 -12.204  -1.672   1.431
  188   2HB   ASN  24          2HB       ASN  24 -11.904  -0.328   2.542
  189   2HD2  ASN  24          2HD2      ASN  24 -13.846   0.575   3.696
  190   1HD2  ASN  24          1HD2      ASN  24 -15.300  -0.396   3.723
  191    H    ALA  25           H        ALA  25 -11.357   2.387   1.283
  192    HA   ALA  25           HA       ALA  25 -11.769   4.441   2.245
  193   1HB   ALA  25          1HB       ALA  25 -14.463   4.150   0.721
  194   2HB   ALA  25          3HB       ALA  25 -13.981   5.588   1.589
  195   3HB   ALA  25          2HB       ALA  25 -13.026   5.039   0.189
  196    H    ASP  26           H        ASP  26 -11.936   2.138   3.479
  197    HA   ASP  26           HA       ASP  26 -13.739   1.438   5.525
  198   1HB   ASP  26          1HB       ASP  26 -11.873   0.279   4.782
  199   2HB   ASP  26          2HB       ASP  26 -10.790   1.594   5.044
  200    H    THR  27           H        THR  27 -12.173   4.143   4.996
  201    HA   THR  27           HA       THR  27 -11.246   4.933   7.600
  202    HB   THR  27           HB       THR  27  -9.854   6.209   6.618
  203    HG1  THR  27           HG1      THR  27 -11.607   6.567   4.398
  204   1HG2  THR  27          1HG2      THR  27  -9.487   4.071   5.714
  205   2HG2  THR  27          2HG2      THR  27 -10.421   4.487   4.239
  206   3HG2  THR  27          3HG2      THR  27  -8.930   5.374   4.636
  207    H    SER  28           H        SER  28 -10.963   7.448   7.793
  208    HA   SER  28           HA       SER  28 -13.249   8.432   9.015
  209   1HB   SER  28          1HB       SER  28 -12.025  10.591   8.844
  210   2HB   SER  28          2HB       SER  28 -11.041   9.215   9.482
  211    HG   SER  28           HG       SER  28 -10.075  10.692   7.939
  212    H    SER  29           H        SER  29 -12.308   8.379   5.817
  213    HA   SER  29           HA       SER  29 -14.525   8.124   4.640
  214   1HB   SER  29          1HB       SER  29 -15.711  10.288   3.913
  215   2HB   SER  29          2HB       SER  29 -15.971   9.740   5.583
  216    HG   SER  29           HG       SER  29 -14.589  11.224   6.297
  217    H    GLU  30           H        GLU  30 -12.216  10.239   4.288
  218    HA   GLU  30           HA       GLU  30 -11.810   9.656   1.574
  219   1HB   GLU  30          1HB       GLU  30 -13.705  11.396   1.491
  220   2HB   GLU  30          2HB       GLU  30 -12.575  12.579   2.142
  221   1HG   GLU  30          1HG       GLU  30 -11.245  12.449   0.043
  222   2HG   GLU  30          2HG       GLU  30 -12.334  11.200  -0.569
  223    H    GLU  31           H        GLU  31 -10.819  10.800   4.337
  224    HA   GLU  31           HA       GLU  31  -8.643  12.433   3.837
  225   1HB   GLU  31          1HB       GLU  31 -10.820  12.404   5.222
  226   2HB   GLU  31          2HB       GLU  31  -9.843  11.424   5.969
  227   1HG   GLU  31          1HG       GLU  31  -8.059  13.298   6.169
  228   2HG   GLU  31          2HG       GLU  31  -9.495  14.329   5.925
  229    H    GLU  32           H        GLU  32  -9.157  10.050   6.057
  230    HA   GLU  32           HA       GLU  32  -6.590   8.870   6.508
  231   1HB   GLU  32          1HB       GLU  32  -9.263   8.066   6.641
  232   2HB   GLU  32          2HB       GLU  32  -8.019   6.797   6.363
  233   1HG   GLU  32          1HG       GLU  32  -7.166   8.372   8.500
  234   2HG   GLU  32          2HG       GLU  32  -8.828   7.984   8.837
  235    H    LEU  33           H        LEU  33  -9.019   8.677   3.879
  236    HA   LEU  33           HA       LEU  33  -7.813   6.553   2.480
  237   1HB   LEU  33          1HB       LEU  33  -9.761   8.732   1.947
  238   2HB   LEU  33          2HB       LEU  33  -9.118   7.997   0.509
  239    HG   LEU  33           HG       LEU  33  -9.883   6.159   2.777
  240   1HD1  LEU  33          1HD1      LEU  33 -11.552   7.902   2.757
  241   2HD1  LEU  33          2HD1      LEU  33 -12.053   7.445   1.107
  242   3HD1  LEU  33          3HD1      LEU  33 -12.218   6.369   2.523
  243   1HD2  LEU  33          1HD2      LEU  33  -8.950   5.578   0.403
  244   2HD2  LEU  33          2HD2      LEU  33 -10.413   4.705   0.806
  245   3HD2  LEU  33          3HD2      LEU  33 -10.496   6.111  -0.255
  246    H    VAL  34           H        VAL  34  -7.552  10.107   1.772
  247    HA   VAL  34           HA       VAL  34  -5.447   9.984  -0.089
  248    HB   VAL  34           HB       VAL  34  -6.529  11.946   1.708
  249   1HG1  VAL  34          1HG1      VAL  34  -4.142  12.510  -0.093
  250   2HG1  VAL  34          2HG1      VAL  34  -5.164  13.768   0.641
  251   3HG1  VAL  34          3HG1      VAL  34  -4.203  12.708   1.673
  252   1HG2  VAL  34          1HG2      VAL  34  -7.717  11.323  -0.345
  253   2HG2  VAL  34          2HG2      VAL  34  -7.229  13.024  -0.363
  254   3HG2  VAL  34          3HG2      VAL  34  -6.300  11.821  -1.301
  255    H    LYS  35           H        LYS  35  -5.461   9.628   3.355
  256    HA   LYS  35           HA       LYS  35  -2.589  10.174   3.807
  257   1HB   LYS  35          1HB       LYS  35  -3.971  10.960   5.483
  258   2HB   LYS  35          2HB       LYS  35  -4.978   9.518   5.428
  259   1HG   LYS  35          1HG       LYS  35  -3.159   8.159   6.272
  260   2HG   LYS  35          2HG       LYS  35  -2.133   9.599   6.418
  261   1HD   LYS  35          1HD       LYS  35  -3.536  10.607   7.965
  262   2HD   LYS  35          2HD       LYS  35  -4.896   9.546   7.629
  263   1HE   LYS  35          1HE       LYS  35  -2.391   8.743   9.164
  264   2HE   LYS  35          2HE       LYS  35  -3.939   9.165   9.892
  265   1HZ   LYS  35          1HZ       LYS  35  -3.497   6.810   8.162
  266   2HZ   LYS  35          2HZ       LYS  35  -3.647   6.767   9.785
  267   3HZ   LYS  35          3HZ       LYS  35  -4.924   7.158   8.865
  268    H    LEU  36           H        LEU  36  -4.814   7.228   3.424
  269    HA   LEU  36           HA       LEU  36  -2.668   5.506   4.040
  270   1HB   LEU  36          1HB       LEU  36  -5.593   5.433   3.071
  271   2HB   LEU  36          2HB       LEU  36  -4.702   3.942   3.208
  272    HG   LEU  36           HG       LEU  36  -5.029   5.883   5.419
  273   1HD1  LEU  36          1HD1      LEU  36  -6.924   4.260   4.657
  274   2HD1  LEU  36          2HD1      LEU  36  -6.051   3.287   5.893
  275   3HD1  LEU  36          3HD1      LEU  36  -6.676   4.870   6.312
  276   1HD2  LEU  36          1HD2      LEU  36  -3.176   3.751   5.492
  277   2HD2  LEU  36          2HD2      LEU  36  -3.182   5.366   6.165
  278   3HD2  LEU  36          3HD2      LEU  36  -4.160   4.141   6.954
  279    H    VAL  37           H        VAL  37  -4.055   7.168   1.319
  280    HA   VAL  37           HA       VAL  37  -2.805   5.634  -0.725
  281    HB   VAL  37           HB       VAL  37  -3.933   8.407  -0.436
  282   1HG1  VAL  37          1HG1      VAL  37  -2.361   7.722  -2.917
  283   2HG1  VAL  37          2HG1      VAL  37  -3.506   9.078  -2.732
  284   3HG1  VAL  37          3HG1      VAL  37  -2.039   9.048  -1.767
  285   1HG2  VAL  37          1HG2      VAL  37  -5.400   6.570  -0.948
  286   2HG2  VAL  37          2HG2      VAL  37  -5.381   7.725  -2.273
  287   3HG2  VAL  37          3HG2      VAL  37  -4.481   6.200  -2.419
  288    H    THR  38           H        THR  38  -1.836   8.459   1.118
  289    HA   THR  38           HA       THR  38   0.740   8.886  -0.077
  290    HB   THR  38           HB       THR  38  -0.533   9.910   2.003
  291    HG1  THR  38           HG1      THR  38  -1.723  10.595   0.445
  292   1HG2  THR  38          1HG2      THR  38   1.805  10.526   2.346
  293   2HG2  THR  38          2HG2      THR  38   1.930  11.019   0.646
  294   3HG2  THR  38          3HG2      THR  38   0.981  11.994   1.797
  295    H    HIS  39           H        HIS  39  -0.521   7.273   2.834
  296    HA   HIS  39           HA       HIS  39   1.987   6.930   4.098
  297   1HB   HIS  39          1HB       HIS  39  -0.349   6.403   5.162
  298   2HB   HIS  39          2HB       HIS  39  -0.124   4.909   4.305
  299    HD1  HIS  39           HD1      HIS  39   2.460   7.021   6.404
  300    HD2  HIS  39           HD2      HIS  39   0.899   3.109   5.922
  301    HE1  HIS  39           HE1      HIS  39   3.476   5.634   8.217
  302    H    PHE  40           H        PHE  40   0.259   5.207   1.486
  303    HA   PHE  40           HA       PHE  40   2.066   2.909   1.467
  304   1HB   PHE  40          1HB       PHE  40  -0.173   3.097   0.274
  305   2HB   PHE  40          2HB       PHE  40   0.599   4.139  -0.894
  306    HD1  PHE  40           HD1      PHE  40   3.031   3.042  -1.818
  307    HD2  PHE  40           HD2      PHE  40  -0.459   0.967  -0.425
  308    HE1  PHE  40           HE1      PHE  40   3.569   1.198  -3.287
  309    HE2  PHE  40           HE2      PHE  40   0.058  -0.929  -2.022
  310    HZ   PHE  40           HZ       PHE  40   2.066  -0.826  -3.414
  311    H    GLU  41           H        GLU  41   1.875   5.936  -0.294
  312    HA   GLU  41           HA       GLU  41   4.268   5.956  -1.579
  313   1HB   GLU  41          1HB       GLU  41   2.926   8.356  -1.064
  314   2HB   GLU  41          2HB       GLU  41   4.142   7.939  -2.315
  315   1HG   GLU  41          2HG       GLU  41   1.457   6.911  -1.845
  316   2HG   GLU  41          1HG       GLU  41   2.201   7.705  -3.275
  317    H    GLU  42           H        GLU  42   3.849   6.398   1.751
  318    HA   GLU  42           HA       GLU  42   6.278   7.692   2.484
  319   1HB   GLU  42          1HB       GLU  42   3.861   7.479   3.518
  320   2HB   GLU  42          2HB       GLU  42   4.907   6.314   4.326
  321   1HG   GLU  42          1HG       GLU  42   6.398   8.112   4.979
  322   2HG   GLU  42          2HG       GLU  42   5.157   9.222   4.278
  323    H    MET  43           H        MET  43   4.744   4.631   2.680
  324    HA   MET  43           HA       MET  43   6.425   3.432   4.445
  325   1HB   MET  43          1HB       MET  43   4.397   2.408   2.456
  326   2HB   MET  43          2HB       MET  43   5.252   1.264   3.444
  327   1HG   MET  43          1HG       MET  43   3.988   3.641   4.643
  328   2HG   MET  43          2HG       MET  43   3.016   2.237   4.182
  329   1HE   MET  43          1HE       MET  43   4.939   4.220   6.421
  330   2HE   MET  43          2HE       MET  43   5.112   3.308   7.915
  331   3HE   MET  43          3HE       MET  43   6.355   3.181   6.644
  332    H    THR  44           H        THR  44   6.264   3.135   0.992
  333    HA   THR  44           HA       THR  44   8.295   1.042   1.155
  334    HB   THR  44           HB       THR  44   6.398  -0.010   0.596
  335    HG1  THR  44           HG1      THR  44   7.875   0.567  -1.657
  336   1HG2  THR  44          1HG2      THR  44   5.557   2.230  -1.228
  337   2HG2  THR  44          2HG2      THR  44   4.746   0.647  -1.061
  338   3HG2  THR  44          3HG2      THR  44   4.840   1.665   0.310
  339    H    GLU  45           H        GLU  45   8.106   4.241   0.231
  340    HA   GLU  45           HA       GLU  45   9.095   5.597  -1.312
  341   1HB   GLU  45          1HB       GLU  45  10.913   4.905   0.210
  342   2HB   GLU  45          2HB       GLU  45  11.279   3.615  -0.909
  343   1HG   GLU  45          1HG       GLU  45  11.521   5.851  -2.559
  344   2HG   GLU  45          2HG       GLU  45  12.020   6.490  -0.995
  345    H    HIS  46           H        HIS  46   7.235   4.079  -2.602
  346    HA   HIS  46           HA       HIS  46   8.641   2.459  -4.597
  347   1HB   HIS  46          1HB       HIS  46   6.825   1.351  -3.493
  348   2HB   HIS  46          2HB       HIS  46   5.700   2.646  -3.919
  349    HD1  HIS  46           HD1      HIS  46   4.907   2.748  -6.444
  350    HD2  HIS  46           HD2      HIS  46   7.600  -0.367  -5.602
  351    HE1  HIS  46           HE1      HIS  46   5.130   1.300  -8.579
  352    HA   PRO  47           HA       PRO  47   8.563   5.438  -7.955
  353   1HB   PRO  47          2HB       PRO  47   7.454   2.918  -9.261
  354   2HB   PRO  47          1HB       PRO  47   8.561   4.142  -9.960
  355   1HG   PRO  47          1HG       PRO  47   9.506   1.804  -8.748
  356   2HG   PRO  47          2HG       PRO  47  10.322   3.374  -8.547
  357   1HD   PRO  47          2HD       PRO  47   8.607   1.774  -6.772
  358   2HD   PRO  47          1HD       PRO  47   9.955   2.798  -6.407
  359    H    SER  48           H        SER  48   5.774   3.269  -8.195
  360    HA   SER  48           HA       SER  48   4.399   5.268  -9.710
  361   1HB   SER  48          1HB       SER  48   3.517   2.461  -9.501
  362   2HB   SER  48          2HB       SER  48   3.372   3.584 -10.842
  363    HG   SER  48           HG       SER  48   4.948   2.202 -11.365
  364    H    GLY  49           H        GLY  49   4.086   5.578  -6.829
  365   1HA   GLY  49          2HA       GLY  49   2.359   6.669  -5.578
  366   2HA   GLY  49          1HA       GLY  49   2.106   4.948  -5.399
  367    H    SER  50           H        SER  50   1.193   7.402  -7.832
  368    HA   SER  50           HA       SER  50  -1.654   7.077  -7.343
  369   1HB   SER  50          1HB       SER  50  -1.686   8.478  -9.561
  370   2HB   SER  50          2HB       SER  50  -1.027   9.188  -8.082
  371    HG   SER  50           HG       SER  50   0.431   8.063 -10.267
  372    H    ASP  51           H        ASP  51   0.293   4.707  -8.754
  373    HA   ASP  51           HA       ASP  51  -1.330   4.082 -11.034
  374   1HB   ASP  51          1HB       ASP  51   1.628   4.766 -10.927
  375   2HB   ASP  51          2HB       ASP  51   0.882   3.876 -12.228
  376    H    LEU  52           H        LEU  52   0.170   3.165  -7.830
  377    HA   LEU  52           HA       LEU  52  -0.394   0.522  -8.897
  378   1HB   LEU  52          1HB       LEU  52   0.794  -0.287  -6.924
  379   2HB   LEU  52          2HB       LEU  52   1.692   0.116  -8.385
  380    HG   LEU  52           HG       LEU  52   2.826   1.895  -7.403
  381   1HD1  LEU  52          1HD1      LEU  52   1.130   1.592  -4.905
  382   2HD1  LEU  52          2HD1      LEU  52   2.557   2.638  -5.094
  383   3HD1  LEU  52          3HD1      LEU  52   1.100   2.969  -6.022
  384   1HD2  LEU  52          1HD2      LEU  52   2.342  -0.428  -5.515
  385   2HD2  LEU  52          2HD2      LEU  52   3.518  -0.347  -6.851
  386   3HD2  LEU  52          3HD2      LEU  52   3.695   0.697  -5.405
  387    H    ILE  53           H        ILE  53  -1.942   2.974  -8.036
  388    HA   ILE  53           HA       ILE  53  -3.240   1.598  -5.863
  389    HB   ILE  53           HB       ILE  53  -2.500   4.461  -5.981
  390   1HG1  ILE  53          1HG1      ILE  53  -0.899   2.706  -4.909
  391   2HG1  ILE  53          2HG1      ILE  53  -1.596   3.803  -3.759
  392   1HG2  ILE  53          1HG2      ILE  53  -4.670   3.075  -4.388
  393   2HG2  ILE  53          2HG2      ILE  53  -3.921   4.651  -3.947
  394   3HG2  ILE  53          3HG2      ILE  53  -4.779   4.434  -5.484
  395   1HD1  ILE  53          1HD1      ILE  53  -3.150   2.256  -3.057
  396   2HD1  ILE  53          2HD1      ILE  53  -2.438   1.061  -4.178
  397   3HD1  ILE  53          3HD1      ILE  53  -1.413   1.762  -2.934
  398    H    TYR  54           H        TYR  54  -3.555   3.945  -8.665
  399    HA   TYR  54           HA       TYR  54  -6.315   2.864  -9.062
  400   1HB   TYR  54          1HB       TYR  54  -5.575   5.747  -9.302
  401   2HB   TYR  54          2HB       TYR  54  -7.174   5.008  -9.433
  402    HD1  TYR  54           HD1      TYR  54  -7.569   3.386  -7.068
  403    HD2  TYR  54           HD2      TYR  54  -5.221   6.987  -7.312
  404    HE1  TYR  54           HE1      TYR  54  -8.220   3.927  -4.771
  405    HE2  TYR  54           HE2      TYR  54  -5.553   7.290  -4.855
  406    HH   TYR  54           HH       TYR  54  -7.981   5.431  -3.027
  407    H    TYR  55           H        TYR  55  -3.522   4.454 -10.843
  408    HA   TYR  55           HA       TYR  55  -5.022   4.045 -13.290
  409   1HB   TYR  55          1HB       TYR  55  -3.035   5.629 -13.119
  410   2HB   TYR  55          2HB       TYR  55  -2.019   4.188 -13.244
  411    HD1  TYR  55           HD1      TYR  55  -4.634   6.206 -14.966
  412    HD2  TYR  55           HD2      TYR  55  -1.837   2.958 -15.365
  413    HE1  TYR  55           HE1      TYR  55  -5.301   5.923 -17.349
  414    HE2  TYR  55           HE2      TYR  55  -2.526   2.626 -17.711
  415    HH   TYR  55           HH       TYR  55  -4.294   3.075 -19.255
  416    HA   PRO  56           HA       PRO  56  -2.513  -0.039 -13.614
  417   1HB   PRO  56          1HB       PRO  56  -2.082  -1.593 -11.480
  418   2HB   PRO  56          2HB       PRO  56  -1.157  -0.116 -11.676
  419   1HG   PRO  56          2HG       PRO  56  -3.755  -0.394 -10.075
  420   2HG   PRO  56          1HG       PRO  56  -2.218   0.239  -9.487
  421   1HD   PRO  56          1HD       PRO  56  -4.188   1.690 -10.424
  422   2HD   PRO  56          2HD       PRO  56  -2.488   2.239 -10.585
  423    H    LYS  57           H        LYS  57  -3.774  -1.618 -14.448
  424    HA   LYS  57           HA       LYS  57  -6.669  -2.083 -13.733
  425   1HB   LYS  57          1HB       LYS  57  -6.783   0.135 -13.868
  426   2HB   LYS  57          2HB       LYS  57  -5.628   0.203 -15.198
  427   1HG   LYS  57          1HG       LYS  57  -7.160  -0.564 -16.806
  428   2HG   LYS  57          2HG       LYS  57  -8.287  -1.142 -15.550
  429   1HD   LYS  57          1HD       LYS  57  -9.019   0.939 -16.408
  430   2HD   LYS  57          2HD       LYS  57  -8.576   1.047 -14.692
  431   1HE   LYS  57          1HE       LYS  57  -7.906   3.015 -16.422
  432   2HE   LYS  57          2HE       LYS  57  -6.897   2.579 -15.040
  433   1HZ   LYS  57          1HZ       LYS  57  -6.338   1.405 -17.702
  434   2HZ   LYS  57          2HZ       LYS  57  -5.705   2.840 -17.223
  435   3HZ   LYS  57          3HZ       LYS  57  -5.385   1.508 -16.368
  436    H    GLU  58           H        GLU  58  -4.258  -1.722 -15.972
  437    HA   GLU  58           HA       GLU  58  -5.694  -2.136 -18.250
  438   1HB   GLU  58          1HB       GLU  58  -3.636  -0.802 -17.677
  439   2HB   GLU  58          2HB       GLU  58  -2.941  -2.212 -18.565
  440   1HG   GLU  58          1HG       GLU  58  -3.355  -0.826 -20.374
  441   2HG   GLU  58          2HG       GLU  58  -4.908  -1.645 -20.261
  442    H    GLY  59           H        GLY  59  -5.035  -4.327 -16.753
  443   1HA   GLY  59          2HA       GLY  59  -4.067  -6.221 -18.829
  444   2HA   GLY  59          1HA       GLY  59  -5.237  -6.788 -17.578
  445    H    ASP  60           H        ASP  60  -3.636  -4.297 -16.076
  446    HA   ASP  60           HA       ASP  60  -1.119  -5.408 -15.280
  447   1HB   ASP  60          1HB       ASP  60  -2.965  -3.429 -13.920
  448   2HB   ASP  60          2HB       ASP  60  -1.273  -3.625 -13.529
  449    H    ASP  61           H        ASP  61  -0.998  -5.174 -13.085
  450    HA   ASP  61           HA       ASP  61  -2.174  -7.469 -11.762
  451   1HB   ASP  61          1HB       ASP  61  -0.008  -8.188 -12.237
  452   2HB   ASP  61          2HB       ASP  61   0.499  -6.761 -11.359
  453    H    ASP  62           H        ASP  62  -3.876  -5.824 -10.892
  454    HA   ASP  62           HA       ASP  62  -2.740  -3.577  -9.281
  455   1HB   ASP  62          1HB       ASP  62  -4.696  -2.399 -10.240
  456   2HB   ASP  62          2HB       ASP  62  -3.564  -2.937 -11.481
  457    H    SER  63           H        SER  63  -6.065  -4.287  -9.769
  458    HA   SER  63           HA       SER  63  -7.750  -4.739  -8.530
  459   1HB   SER  63          1HB       SER  63  -6.038  -7.006  -7.446
  460   2HB   SER  63          2HB       SER  63  -7.790  -6.890  -7.201
  461    HG   SER  63           HG       SER  63  -6.720  -6.721  -9.789
  462    HA   PRO  64           HA       PRO  64  -6.285  -3.209  -4.357
  463   1HB   PRO  64          2HB       PRO  64  -7.455  -5.615  -2.887
  464   2HB   PRO  64          1HB       PRO  64  -7.450  -3.900  -2.443
  465   1HG   PRO  64          1HG       PRO  64  -9.693  -4.984  -3.529
  466   2HG   PRO  64          2HG       PRO  64  -9.114  -3.421  -4.215
  467   1HD   PRO  64          1HD       PRO  64  -8.495  -6.226  -5.161
  468   2HD   PRO  64          2HD       PRO  64  -9.105  -4.861  -6.147
  469    H    SER  65           H        SER  65  -5.531  -6.194  -5.217
  470    HA   SER  65           HA       SER  65  -3.359  -6.723  -3.406
  471   1HB   SER  65          1HB       SER  65  -3.936  -9.037  -4.303
  472   2HB   SER  65          2HB       SER  65  -5.143  -8.200  -3.290
  473    HG   SER  65           HG       SER  65  -5.176  -8.629  -6.090
  474    H    GLY  66           H        GLY  66  -3.553  -6.869  -6.815
  475   1HA   GLY  66          2HA       GLY  66  -2.265  -7.104  -8.466
  476   2HA   GLY  66          1HA       GLY  66  -1.077  -7.924  -7.525
  477    H    ILE  67           H        ILE  67  -2.684  -4.665  -6.909
  478    HA   ILE  67           HA       ILE  67  -0.296  -3.369  -7.434
  479    HB   ILE  67           HB       ILE  67  -1.272  -1.593  -5.805
  480   1HG1  ILE  67          1HG1      ILE  67  -3.448  -3.561  -5.484
  481   2HG1  ILE  67          2HG1      ILE  67  -2.448  -2.706  -4.372
  482   1HG2  ILE  67          1HG2      ILE  67  -1.661  -1.767  -8.404
  483   2HG2  ILE  67          2HG2      ILE  67  -3.327  -2.260  -7.908
  484   3HG2  ILE  67          3HG2      ILE  67  -2.732  -0.701  -7.469
  485   1HD1  ILE  67          1HD1      ILE  67  -4.529  -1.261  -6.141
  486   2HD1  ILE  67          2HD1      ILE  67  -4.816  -1.730  -4.488
  487   3HD1  ILE  67          3HD1      ILE  67  -3.567  -0.553  -4.855
  488    H    VAL  68           H        VAL  68  -1.297  -4.568  -4.440
  489    HA   VAL  68           HA       VAL  68   0.925  -3.393  -2.931
  490    HB   VAL  68           HB       VAL  68  -0.602  -5.989  -2.398
  491   1HG1  VAL  68          1HG1      VAL  68   1.305  -4.948  -0.789
  492   2HG1  VAL  68          2HG1      VAL  68   0.026  -3.827  -0.360
  493   3HG1  VAL  68          3HG1      VAL  68  -0.213  -5.551  -0.071
  494   1HG2  VAL  68          1HG2      VAL  68  -1.578  -3.205  -2.338
  495   2HG2  VAL  68          2HG2      VAL  68  -2.374  -4.686  -2.870
  496   3HG2  VAL  68          3HG2      VAL  68  -2.215  -4.334  -1.144
  497    H    ASN  69           H        ASN  69   0.167  -6.023  -4.822
  498    HA   ASN  69           HA       ASN  69   2.520  -7.723  -4.848
  499   1HB   ASN  69          1HB       ASN  69   0.180  -7.510  -6.100
  500   2HB   ASN  69          2HB       ASN  69   1.439  -8.114  -7.132
  501   2HD2  ASN  69          2HD2      ASN  69  -0.257  -9.923  -6.944
  502   1HD2  ASN  69          1HD2      ASN  69  -0.206 -11.039  -5.570
  503    H    THR  70           H        THR  70   1.579  -4.803  -6.712
  504    HA   THR  70           HA       THR  70   3.632  -5.227  -8.448
  505    HB   THR  70           HB       THR  70   2.045  -2.762  -7.657
  506    HG1  THR  70           HG1      THR  70   1.040  -4.455  -9.003
  507   1HG2  THR  70          1HG2      THR  70   4.038  -2.786  -9.945
  508   2HG2  THR  70          2HG2      THR  70   2.808  -1.540  -9.642
  509   3HG2  THR  70          3HG2      THR  70   4.121  -1.775  -8.484
  510    H    VAL  71           H        VAL  71   3.223  -3.505  -5.497
  511    HA   VAL  71           HA       VAL  71   5.869  -2.425  -5.204
  512    HB   VAL  71           HB       VAL  71   3.526  -2.576  -3.383
  513   1HG1  VAL  71          1HG1      VAL  71   5.819  -3.801  -2.109
  514   2HG1  VAL  71          2HG1      VAL  71   4.901  -2.506  -1.292
  515   3HG1  VAL  71          3HG1      VAL  71   4.082  -3.950  -1.830
  516   1HG2  VAL  71          1HG2      VAL  71   4.816  -0.757  -4.364
  517   2HG2  VAL  71          2HG2      VAL  71   4.696  -0.700  -2.594
  518   3HG2  VAL  71          3HG2      VAL  71   6.211  -1.246  -3.380
  519    H    LYS  72           H        LYS  72   4.374  -5.336  -4.343
  520    HA   LYS  72           HA       LYS  72   6.575  -6.523  -3.030
  521   1HB   LYS  72          1HB       LYS  72   4.065  -7.418  -3.899
  522   2HB   LYS  72          2HB       LYS  72   5.183  -8.719  -4.325
  523   1HG   LYS  72          1HG       LYS  72   4.685  -9.048  -2.020
  524   2HG   LYS  72          2HG       LYS  72   6.188  -8.133  -1.961
  525   1HD   LYS  72          2HD       LYS  72   5.130  -6.582  -0.833
  526   2HD   LYS  72          1HD       LYS  72   4.430  -6.066  -2.175
  527   1HE   LYS  72          2HE       LYS  72   2.838  -6.959  -0.098
  528   2HE   LYS  72          1HE       LYS  72   2.369  -6.339  -1.658
  529   1HZ   LYS  72          1HZ       LYS  72   2.370  -8.635  -2.524
  530   2HZ   LYS  72          2HZ       LYS  72   2.815  -9.162  -1.010
  531   3HZ   LYS  72          3HZ       LYS  72   1.357  -8.465  -1.248
  532    H    GLN  73           H        GLN  73   6.542  -5.975  -6.037
  533    HA   GLN  73           HA       GLN  73   8.513  -7.751  -6.884
  534   1HB   GLN  73          1HB       GLN  73   6.519  -6.178  -8.531
  535   2HB   GLN  73          2HB       GLN  73   7.729  -7.285  -9.227
  536   1HG   GLN  73          1HG       GLN  73   6.910  -9.048  -7.657
  537   2HG   GLN  73          2HG       GLN  73   5.739  -8.083  -7.056
  538   2HE2  GLN  73          2HE2      GLN  73   3.788  -7.889  -7.970
  539   1HE2  GLN  73          1HE2      GLN  73   3.217  -8.671  -9.412
  540    H    TRP  74           H        TRP  74   7.823  -4.345  -6.915
  541    HA   TRP  74           HA       TRP  74  10.390  -3.259  -7.757
  542   1HB   TRP  74          1HB       TRP  74   8.254  -2.006  -7.795
  543   2HB   TRP  74          2HB       TRP  74   8.559  -1.937  -6.049
  544    HD1  TRP  74           HD1      TRP  74  10.039  -0.986  -9.380
  545    HE1  TRP  74           HE1      TRP  74  11.928   0.713  -9.224
  546    HE3  TRP  74           HE3      TRP  74   9.964  -0.320  -4.347
  547    HZ2  TRP  74           HZ2      TRP  74  13.047   2.402  -7.176
  548    HZ3  TRP  74           HZ3      TRP  74  11.199   1.548  -3.415
  549    HH2  TRP  74           HH2      TRP  74  12.750   2.922  -4.762
  550    H    ARG  75           H        ARG  75   8.739  -3.397  -4.597
  551    HA   ARG  75           HA       ARG  75  11.029  -3.115  -2.993
  552   1HB   ARG  75          1HB       ARG  75   8.508  -4.830  -2.472
  553   2HB   ARG  75          2HB       ARG  75   9.705  -4.399  -1.293
  554   1HG   ARG  75          1HG       ARG  75   9.027  -1.996  -1.486
  555   2HG   ARG  75          2HG       ARG  75   7.650  -2.574  -2.415
  556   1HD   ARG  75          1HD       ARG  75   8.330  -2.926   0.487
  557   2HD   ARG  75          2HD       ARG  75   6.797  -2.544  -0.213
  558    HE   ARG  75           HE       ARG  75   6.317  -4.827  -0.513
  559   1HH1  ARG  75          1HH1      ARG  75   9.431  -4.374   1.031
  560   2HH1  ARG  75          2HH1      ARG  75   9.873  -6.056   1.051
  561   1HH2  ARG  75          1HH2      ARG  75   6.685  -7.264   0.183
  562   2HH2  ARG  75          2HH2      ARG  75   8.278  -7.650   0.542
  563    H    ALA  76           H        ALA  76  10.211  -5.745  -4.856
  564    HA   ALA  76           HA       ALA  76  11.810  -7.451  -3.043
  565   1HB   ALA  76          1HB       ALA  76  10.017  -8.329  -5.338
  566   2HB   ALA  76          3HB       ALA  76  11.004  -9.453  -4.395
  567   3HB   ALA  76          2HB       ALA  76   9.715  -8.550  -3.582
  568    H    ALA  77           H        ALA  77  11.923  -5.849  -5.909
  569    HA   ALA  77           HA       ALA  77  14.377  -7.307  -6.689
  570   1HB   ALA  77          1HB       ALA  77  12.614  -6.869  -8.507
  571   2HB   ALA  77          3HB       ALA  77  12.745  -5.137  -8.163
  572   3HB   ALA  77          2HB       ALA  77  14.121  -5.988  -8.887
  573    H    ASN  78           H        ASN  78  13.234  -4.328  -5.661
  574    HA   ASN  78           HA       ASN  78  15.835  -3.151  -5.379
  575   1HB   ASN  78          1HB       ASN  78  13.364  -2.177  -5.918
  576   2HB   ASN  78          2HB       ASN  78  13.146  -2.343  -4.242
  577   2HD2  ASN  78          2HD2      ASN  78  14.238  -0.212  -6.683
  578   1HD2  ASN  78          1HD2      ASN  78  15.228   0.841  -5.689
  579    H    GLY  79           H        GLY  79  13.904  -5.257  -3.972
  580   1HA   GLY  79          2HA       GLY  79  15.789  -6.025  -1.920
  581   2HA   GLY  79          1HA       GLY  79  14.137  -6.660  -2.018
  582    H    LYS  80           H        LYS  80  13.066  -4.017  -1.918
  583    HA   LYS  80           HA       LYS  80  13.960  -2.127  -0.232
  584   1HB   LYS  80          1HB       LYS  80  11.152  -2.699  -0.233
  585   2HB   LYS  80          2HB       LYS  80  11.862  -1.191   0.377
  586   1HG   LYS  80          1HG       LYS  80  12.562  -2.256  -2.309
  587   2HG   LYS  80          2HG       LYS  80  11.157  -1.397  -2.126
  588   1HD   LYS  80          1HD       LYS  80  13.712  -0.681  -1.773
  589   2HD   LYS  80          2HD       LYS  80  12.810  -0.351  -3.147
  590   1HE   LYS  80          1HE       LYS  80  11.347   1.043  -1.846
  591   2HE   LYS  80          2HE       LYS  80  12.056   0.723  -0.480
  592   1HZ   LYS  80          1HZ       LYS  80  14.258   1.703  -1.614
  593   2HZ   LYS  80          2HZ       LYS  80  13.168   2.526  -2.511
  594   3HZ   LYS  80          3HZ       LYS  80  13.207   2.741  -0.948
  595    H    SER  81           H        SER  81  12.113  -4.635   0.976
  596    HA   SER  81           HA       SER  81  12.286  -4.501   3.942
  597   1HB   SER  81          1HB       SER  81   9.827  -3.870   3.920
  598   2HB   SER  81          2HB       SER  81  11.069  -2.635   3.865
  599    HG   SER  81           HG       SER  81   9.798  -1.978   2.320
  600    H    GLY  82           H        GLY  82  10.498  -5.572   4.663
  601   1HA   GLY  82          2HA       GLY  82  10.832  -8.187   4.397
  602   2HA   GLY  82          1HA       GLY  82   9.483  -7.921   3.226
  603    H    PHE  83           H        PHE  83   8.575  -5.724   5.041
  604    HA   PHE  83           HA       PHE  83   7.420  -5.197   6.740
  605   1HB   PHE  83          2HB       PHE  83   5.950  -7.634   5.778
  606   2HB   PHE  83          1HB       PHE  83   5.473  -6.249   6.770
  607    HD1  PHE  83           HD1      PHE  83   6.554  -7.051   3.443
  608    HD2  PHE  83           HD2      PHE  83   4.014  -4.661   5.914
  609    HE1  PHE  83           HE1      PHE  83   5.764  -5.888   1.508
  610    HE2  PHE  83           HE2      PHE  83   3.318  -3.431   4.047
  611    HZ   PHE  83           HZ       PHE  83   4.134  -3.995   1.621
  612    H    LYS  84           H        LYS  84   6.319  -7.996   7.376
  613    HA   LYS  84           HA       LYS  84   7.068  -8.688  10.015
  614   1HB   LYS  84          1HB       LYS  84   6.021  -6.435   9.963
  615   2HB   LYS  84          2HB       LYS  84   4.600  -7.454   9.774
  616   1HG   LYS  84          1HG       LYS  84   5.100  -8.806  11.677
  617   2HG   LYS  84          2HG       LYS  84   6.646  -7.988  11.904
  618   1HD   LYS  84          1HD       LYS  84   5.241  -7.113  13.471
  619   2HD   LYS  84          2HD       LYS  84   5.546  -5.908  12.193
  620   1HE   LYS  84          2HE       LYS  84   3.255  -5.579  12.740
  621   2HE   LYS  84          1HE       LYS  84   3.257  -6.476  11.240
  622   1HZ   LYS  84          1HZ       LYS  84   2.825  -8.497  12.752
  623   2HZ   LYS  84          2HZ       LYS  84   2.509  -7.411  13.914
  624   3HZ   LYS  84          3HZ       LYS  84   1.642  -7.378  12.524
  625    H    GLN  85           H        GLN  85   5.441 -10.257  10.472
  626    HA   GLN  85           HA       GLN  85   4.525 -11.869   8.140
  627   1HB   GLN  85          1HB       GLN  85   6.494 -12.484   9.581
  628   2HB   GLN  85          2HB       GLN  85   5.184 -13.708   9.712
  629   1HG   GLN  85          1HG       GLN  85   5.223 -14.057   7.373
  630   2HG   GLN  85          2HG       GLN  85   6.243 -12.630   7.108
  631   2HE2  GLN  85          2HE2      GLN  85   8.460 -12.933   6.946
  632   1HE2  GLN  85          1HE2      GLN  85   9.247 -14.438   7.418
  633    H    GLY  86           H        GLY  86   4.249 -11.780  11.570
  634   1HA   GLY  86          2HA       GLY  86   2.136 -12.760  12.666
  635   2HA   GLY  86          1HA       GLY  86   1.330 -11.786  11.402

  No H/Q in entry =         635
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -4.246  -0.440   9.459
    2    H2   MET   1           H2       MET   1  -2.608  -0.561   9.660
    3    H3   MET   1           H3       MET   1  -3.496  -1.919   9.645
    4    HA   MET   1           HA       MET   1  -4.592  -1.371  11.641
    5   1HB   MET   1          2HB       MET   1  -2.809  -1.464  13.198
    6   2HB   MET   1          1HB       MET   1  -2.636  -2.570  11.812
    7   1HG   MET   1          1HG       MET   1  -0.876  -1.066  10.914
    8   2HG   MET   1          2HG       MET   1  -1.069  -0.071  12.347
    9   1HE   MET   1          1HE       MET   1  -0.077  -3.659  11.079
   10   2HE   MET   1          2HE       MET   1   0.419  -4.512  12.559
   11   3HE   MET   1          3HE       MET   1  -1.296  -4.146  12.281
   12    H    GLU   2           H        GLU   2  -2.757   0.467  13.547
   13    HA   GLU   2           HA       GLU   2  -4.292   2.867  13.401
   14   1HB   GLU   2          2HB       GLU   2  -1.380   3.033  14.119
   15   2HB   GLU   2          1HB       GLU   2  -2.774   3.824  14.828
   16   1HG   GLU   2          1HG       GLU   2  -2.190   2.481  16.558
   17   2HG   GLU   2          2HG       GLU   2  -3.276   1.351  15.742
   18    H    LEU   3           H        LEU   3  -1.167   1.861  11.894
   19    HA   LEU   3           HA       LEU   3  -1.272   2.064   9.436
   20   1HB   LEU   3          1HB       LEU   3  -0.927   4.752  10.636
   21   2HB   LEU   3          2HB       LEU   3   0.027   4.224   9.225
   22    HG   LEU   3           HG       LEU   3  -2.999   3.950   9.122
   23   1HD1  LEU   3          1HD1      LEU   3  -1.174   6.270   8.359
   24   2HD1  LEU   3          2HD1      LEU   3  -2.925   6.146   8.008
   25   3HD1  LEU   3          3HD1      LEU   3  -2.372   6.256   9.692
   26   1HD2  LEU   3          1HD2      LEU   3  -0.906   3.041   7.509
   27   2HD2  LEU   3          2HD2      LEU   3  -2.607   3.055   7.217
   28   3HD2  LEU   3          3HD2      LEU   3  -1.635   4.435   6.663
   29    H    LYS   4           H        LYS   4   1.214   3.964  10.485
   30    HA   LYS   4           HA       LYS   4   2.798   2.643  12.358
   31   1HB   LYS   4          1HB       LYS   4   2.608   1.003  10.055
   32   2HB   LYS   4          2HB       LYS   4   4.195   1.632  10.144
   33   1HG   LYS   4          1HG       LYS   4   4.093  -0.357  11.464
   34   2HG   LYS   4          2HG       LYS   4   4.346   1.035  12.547
   35   1HD   LYS   4          1HD       LYS   4   1.798   0.897  12.964
   36   2HD   LYS   4          2HD       LYS   4   1.912  -0.661  12.160
   37   1HE   LYS   4          1HE       LYS   4   3.219  -1.563  13.922
   38   2HE   LYS   4          2HE       LYS   4   3.617   0.038  14.561
   39   1HZ   LYS   4          1HZ       LYS   4   0.853  -1.054  14.542
   40   2HZ   LYS   4          2HZ       LYS   4   1.850  -1.114  15.853
   41   3HZ   LYS   4          3HZ       LYS   4   1.289   0.300  15.254
   42    H    HIS   5           H        HIS   5   5.118   2.723  11.639
   43    HA   HIS   5           HA       HIS   5   5.768   5.496  10.926
   44   1HB   HIS   5          2HB       HIS   5   7.915   3.947  12.212
   45   2HB   HIS   5          1HB       HIS   5   7.286   5.524  12.617
   46    HD1  HIS   5           HD1      HIS   5   5.036   5.425  14.354
   47    HD2  HIS   5           HD2      HIS   5   7.009   1.850  13.393
   48    HE1  HIS   5           HE1      HIS   5   3.996   3.618  15.848
   49    H    SER   6           H        SER   6   6.334   2.310  10.425
   50    HA   SER   6           HA       SER   6   7.730   2.594   7.912
   51   1HB   SER   6          1HB       SER   6   8.458   0.262   9.186
   52   2HB   SER   6          2HB       SER   6   9.312   1.798   8.932
   53    HG   SER   6           HG       SER   6   8.765   0.781  11.395
   54    H    ILE   7           H        ILE   7   7.321   1.206   6.473
   55    HA   ILE   7           HA       ILE   7   5.263  -0.687   6.189
   56    HB   ILE   7           HB       ILE   7   6.458   0.770   4.585
   57   1HG1  ILE   7          1HG1      ILE   7   6.364  -2.188   3.921
   58   2HG1  ILE   7          2HG1      ILE   7   4.978  -1.059   3.983
   59   1HG2  ILE   7          1HG2      ILE   7   8.829   0.211   5.492
   60   2HG2  ILE   7          2HG2      ILE   7   8.713  -1.238   4.463
   61   3HG2  ILE   7          3HG2      ILE   7   8.593   0.397   3.776
   62   1HD1  ILE   7          1HD1      ILE   7   6.138   0.343   2.375
   63   2HD1  ILE   7          2HD1      ILE   7   7.434  -0.880   2.313
   64   3HD1  ILE   7          3HD1      ILE   7   5.804  -1.312   1.744
   65    H    SER   8           H        SER   8   6.948  -1.091   8.518
   66    HA   SER   8           HA       SER   8   8.070  -3.691   8.135
   67   1HB   SER   8          1HB       SER   8   9.626  -2.766   7.534
   68   2HB   SER   8          2HB       SER   8   9.178  -1.356   8.122
   69    HG   SER   8           HG       SER   8  10.466  -3.374   9.632
   70    H    ASP   9           H        ASP   9   6.869  -1.005  10.246
   71    HA   ASP   9           HA       ASP   9   6.915  -2.881  12.430
   72   1HB   ASP   9          1HB       ASP   9   6.229   0.042  12.044
   73   2HB   ASP   9          2HB       ASP   9   5.494  -0.764  13.423
   74    H    TYR  10           H        TYR  10   5.171  -2.686   9.674
   75    HA   TYR  10           HA       TYR  10   2.902  -4.100  10.909
   76   1HB   TYR  10          2HB       TYR  10   1.258  -3.286   9.414
   77   2HB   TYR  10          1HB       TYR  10   1.946  -1.950  10.301
   78    HD1  TYR  10           HD1      TYR  10   3.594  -0.512   9.156
   79    HD2  TYR  10           HD2      TYR  10   1.434  -3.390   6.917
   80    HE1  TYR  10           HE1      TYR  10   3.743   0.939   7.121
   81    HE2  TYR  10           HE2      TYR  10   1.659  -2.089   4.923
   82    HH   TYR  10           HH       TYR  10   2.866   1.309   5.042
   83    H    THR  11           H        THR  11   1.751  -5.369   9.035
   84    HA   THR  11           HA       THR  11   3.946  -6.971   7.837
   85    HB   THR  11           HB       THR  11   2.972  -8.762   8.607
   86    HG1  THR  11           HG1      THR  11   0.790  -9.228   8.675
   87   1HG2  THR  11          1HG2      THR  11   2.934  -7.397  10.671
   88   2HG2  THR  11          2HG2      THR  11   1.241  -6.960  10.339
   89   3HG2  THR  11          3HG2      THR  11   1.673  -8.628  10.673
   90    H    GLU  12           H        GLU  12   3.225  -8.365   5.987
   91    HA   GLU  12           HA       GLU  12   2.593  -6.338   4.015
   92   1HB   GLU  12          1HB       GLU  12   4.288  -8.449   4.072
   93   2HB   GLU  12          2HB       GLU  12   2.919  -9.208   3.221
   94   1HG   GLU  12          1HG       GLU  12   2.865  -7.042   1.783
   95   2HG   GLU  12          2HG       GLU  12   4.196  -6.532   2.564
   96    H    ALA  13           H        ALA  13   0.806  -8.697   5.547
   97    HA   ALA  13           HA       ALA  13  -1.427  -8.915   3.609
   98   1HB   ALA  13          1HB       ALA  13  -0.916 -10.950   4.949
   99   2HB   ALA  13          3HB       ALA  13  -1.093 -10.009   6.453
  100   3HB   ALA  13          2HB       ALA  13  -2.494 -10.268   5.394
  101    H    GLU  14           H        GLU  14  -0.301  -7.383   6.630
  102    HA   GLU  14           HA       GLU  14  -2.507  -5.795   7.305
  103   1HB   GLU  14          1HB       GLU  14   0.160  -6.050   8.038
  104   2HB   GLU  14          2HB       GLU  14  -0.107  -4.360   7.647
  105   1HG   GLU  14          1HG       GLU  14  -2.075  -6.006   9.263
  106   2HG   GLU  14          2HG       GLU  14  -0.697  -5.236   9.873
  107    H    PHE  15           H        PHE  15   0.187  -5.178   5.001
  108    HA   PHE  15           HA       PHE  15  -0.790  -2.580   4.250
  109   1HB   PHE  15          1HB       PHE  15   1.539  -3.825   3.737
  110   2HB   PHE  15          2HB       PHE  15   0.750  -4.352   2.307
  111    HD1  PHE  15           HD1      PHE  15   0.134  -0.859   3.724
  112    HD2  PHE  15           HD2      PHE  15   2.144  -3.236   0.727
  113    HE1  PHE  15           HE1      PHE  15   0.996   1.162   2.705
  114    HE2  PHE  15           HE2      PHE  15   2.992  -1.127  -0.294
  115    HZ   PHE  15           HZ       PHE  15   2.552   1.033   0.762
  116    H    LEU  16           H        LEU  16  -1.275  -5.907   3.133
  117    HA   LEU  16           HA       LEU  16  -2.497  -5.016   0.675
  118   1HB   LEU  16          1HB       LEU  16  -1.473  -7.220   1.097
  119   2HB   LEU  16          2HB       LEU  16  -2.808  -7.628   2.183
  120    HG   LEU  16           HG       LEU  16  -4.381  -7.763   0.499
  121   1HD1  LEU  16          1HD1      LEU  16  -3.893  -5.681  -0.816
  122   2HD1  LEU  16          2HD1      LEU  16  -2.493  -6.511  -1.554
  123   3HD1  LEU  16          3HD1      LEU  16  -4.179  -7.083  -1.764
  124   1HD2  LEU  16          1HD2      LEU  16  -2.616  -9.596   0.318
  125   2HD2  LEU  16          2HD2      LEU  16  -3.325  -9.262  -1.266
  126   3HD2  LEU  16          3HD2      LEU  16  -1.714  -8.624  -0.860
  127    H    GLN  17           H        GLN  17  -3.683  -5.755   3.909
  128    HA   GLN  17           HA       GLN  17  -6.276  -5.594   3.333
  129   1HB   GLN  17          1HB       GLN  17  -5.622  -6.798   5.288
  130   2HB   GLN  17          2HB       GLN  17  -4.461  -5.544   5.759
  131   1HG   GLN  17          1HG       GLN  17  -6.089  -4.126   6.612
  132   2HG   GLN  17          2HG       GLN  17  -7.403  -5.179   6.013
  133   2HE2  GLN  17          2HE2      GLN  17  -4.890  -4.767   8.642
  134   1HE2  GLN  17          1HE2      GLN  17  -5.505  -6.146   9.511
  135    H    LEU  18           H        LEU  18  -3.745  -3.343   4.114
  136    HA   LEU  18           HA       LEU  18  -5.426  -1.265   5.037
  137   1HB   LEU  18          1HB       LEU  18  -2.990  -1.443   5.582
  138   2HB   LEU  18          2HB       LEU  18  -2.592  -1.191   3.880
  139    HG   LEU  18           HG       LEU  18  -3.689   1.065   4.002
  140   1HD1  LEU  18          1HD1      LEU  18  -5.176   0.616   5.970
  141   2HD1  LEU  18          2HD1      LEU  18  -3.732   0.482   6.999
  142   3HD1  LEU  18          3HD1      LEU  18  -4.184   2.012   6.231
  143   1HD2  LEU  18          1HD2      LEU  18  -1.312   0.899   4.120
  144   2HD2  LEU  18          2HD2      LEU  18  -1.958   2.192   5.131
  145   3HD2  LEU  18          3HD2      LEU  18  -1.382   0.678   5.891
  146    H    VAL  19           H        VAL  19  -3.993  -2.251   2.010
  147    HA   VAL  19           HA       VAL  19  -4.733  -0.071   0.222
  148    HB   VAL  19           HB       VAL  19  -3.959  -2.899  -0.229
  149   1HG1  VAL  19          1HG1      VAL  19  -4.561  -0.568  -2.116
  150   2HG1  VAL  19          2HG1      VAL  19  -3.772  -2.088  -2.568
  151   3HG1  VAL  19          3HG1      VAL  19  -5.440  -2.111  -2.037
  152   1HG2  VAL  19          1HG2      VAL  19  -2.536  -0.478   0.486
  153   2HG2  VAL  19          2HG2      VAL  19  -1.851  -1.994  -0.057
  154   3HG2  VAL  19          3HG2      VAL  19  -2.274  -0.729  -1.235
  155    H    THR  20           H        THR  20  -6.211  -3.116   1.527
  156    HA   THR  20           HA       THR  20  -8.530  -2.903  -0.149
  157    HB   THR  20           HB       THR  20  -7.259  -4.975   1.143
  158    HG1  THR  20           HG1      THR  20  -9.877  -4.855   0.119
  159   1HG2  THR  20          1HG2      THR  20  -8.371  -4.633   3.313
  160   2HG2  THR  20          2HG2      THR  20  -9.923  -4.830   2.523
  161   3HG2  THR  20          3HG2      THR  20  -8.709  -6.153   2.533
  162    H    THR  21           H        THR  21  -7.701  -1.434   2.989
  163    HA   THR  21           HA       THR  21 -10.386  -0.671   3.722
  164    HB   THR  21           HB       THR  21  -7.585  -0.316   4.494
  165    HG1  THR  21           HG1      THR  21  -9.917  -0.436   6.081
  166   1HG2  THR  21          1HG2      THR  21  -9.294   2.175   4.795
  167   2HG2  THR  21          2HG2      THR  21  -7.890   1.784   5.786
  168   3HG2  THR  21          3HG2      THR  21  -7.730   1.982   4.031
  169    H    ILE  22           H        ILE  22  -7.959   0.424   1.454
  170    HA   ILE  22           HA       ILE  22  -9.114   3.075   1.040
  171    HB   ILE  22           HB       ILE  22  -7.029   1.864  -0.831
  172   1HG1  ILE  22          1HG1      ILE  22  -6.654   2.731   2.027
  173   2HG1  ILE  22          2HG1      ILE  22  -6.001   1.368   1.093
  174   1HG2  ILE  22          1HG2      ILE  22  -8.216   4.082  -1.271
  175   2HG2  ILE  22          2HG2      ILE  22  -7.353   4.700   0.165
  176   3HG2  ILE  22          3HG2      ILE  22  -6.459   4.070  -1.246
  177   1HD1  ILE  22          1HD1      ILE  22  -4.562   2.895  -0.168
  178   2HD1  ILE  22          2HD1      ILE  22  -5.217   4.202   0.845
  179   3HD1  ILE  22          3HD1      ILE  22  -4.257   2.906   1.594
  180    H    CYS  23           H        CYS  23  -8.579   0.108  -0.859
  181    HA   CYS  23           HA       CYS  23 -10.501   0.700  -2.882
  182   1HB   CYS  23          2HB       CYS  23  -9.564  -2.062  -1.940
  183   2HB   CYS  23          1HB       CYS  23 -10.387  -1.645  -3.437
  184    H    ASN  24           H        ASN  24 -10.833   0.105   0.507
  185    HA   ASN  24           HA       ASN  24 -13.775  -0.489  -0.068
  186   1HB   ASN  24          1HB       ASN  24 -12.794  -2.126   1.397
  187   2HB   ASN  24          2HB       ASN  24 -12.435  -0.888   2.596
  188   2HD2  ASN  24          2HD2      ASN  24 -14.118  -0.988   4.353
  189   1HD2  ASN  24          1HD2      ASN  24 -15.748  -1.317   3.890
  190    H    ALA  25           H        ALA  25 -11.775   2.108   1.121
  191    HA   ALA  25           HA       ALA  25 -12.198   4.235   1.838
  192   1HB   ALA  25          1HB       ALA  25 -14.876   3.751   0.342
  193   2HB   ALA  25          3HB       ALA  25 -14.373   5.311   0.965
  194   3HB   ALA  25          2HB       ALA  25 -13.424   4.531  -0.322
  195    H    ASP  26           H        ASP  26 -12.424   2.156   3.297
  196    HA   ASP  26           HA       ASP  26 -14.351   1.590   5.194
  197   1HB   ASP  26          1HB       ASP  26 -12.502   0.524   4.176
  198   2HB   ASP  26          2HB       ASP  26 -11.376   1.415   5.159
  199    H    THR  27           H        THR  27 -13.164   4.300   4.833
  200    HA   THR  27           HA       THR  27 -11.946   5.108   7.428
  201    HB   THR  27           HB       THR  27 -10.496   6.358   6.389
  202    HG1  THR  27           HG1      THR  27 -12.322   6.470   4.192
  203   1HG2  THR  27          1HG2      THR  27 -10.147   4.111   5.657
  204   2HG2  THR  27          2HG2      THR  27 -11.031   4.460   4.135
  205   3HG2  THR  27          3HG2      THR  27  -9.534   5.351   4.528
  206    H    SER  28           H        SER  28 -11.655   7.607   7.495
  207    HA   SER  28           HA       SER  28 -13.949   8.697   8.552
  208   1HB   SER  28          1HB       SER  28 -12.823  10.870   8.190
  209   2HB   SER  28          2HB       SER  28 -11.748   9.613   8.905
  210    HG   SER  28           HG       SER  28 -10.765  10.868   7.256
  211    H    SER  29           H        SER  29 -13.018   8.394   5.362
  212    HA   SER  29           HA       SER  29 -15.299   8.089   4.278
  213   1HB   SER  29          1HB       SER  29 -16.506  10.075   3.357
  214   2HB   SER  29          2HB       SER  29 -16.612   9.979   5.095
  215    HG   SER  29           HG       SER  29 -15.567  11.876   3.474
  216    H    GLU  30           H        GLU  30 -13.153  10.307   3.628
  217    HA   GLU  30           HA       GLU  30 -12.560   9.296   1.018
  218   1HB   GLU  30          1HB       GLU  30 -13.276  12.273   1.291
  219   2HB   GLU  30          2HB       GLU  30 -12.738  11.558  -0.209
  220   1HG   GLU  30          1HG       GLU  30 -14.806  11.172  -0.867
  221   2HG   GLU  30          2HG       GLU  30 -15.170  10.197   0.533
  222    H    GLU  31           H        GLU  31 -11.568  10.693   3.647
  223    HA   GLU  31           HA       GLU  31  -9.441  12.341   3.007
  224   1HB   GLU  31          1HB       GLU  31 -11.571  12.484   4.283
  225   2HB   GLU  31          2HB       GLU  31 -10.745  11.494   5.150
  226   1HG   GLU  31          1HG       GLU  31  -9.345  14.038   4.813
  227   2HG   GLU  31          2HG       GLU  31 -10.810  14.019   5.832
  228    H    GLU  32           H        GLU  32  -9.918  10.267   5.458
  229    HA   GLU  32           HA       GLU  32  -7.357   9.188   6.094
  230   1HB   GLU  32          1HB       GLU  32 -10.000   8.244   6.130
  231   2HB   GLU  32          2HB       GLU  32  -8.658   7.053   6.225
  232   1HG   GLU  32          1HG       GLU  32  -7.961   8.841   8.080
  233   2HG   GLU  32          2HG       GLU  32  -9.694   8.869   8.340
  234    H    LEU  33           H        LEU  33  -9.652   8.639   3.488
  235    HA   LEU  33           HA       LEU  33  -8.410   6.436   2.264
  236   1HB   LEU  33          1HB       LEU  33 -10.433   8.522   1.730
  237   2HB   LEU  33          2HB       LEU  33  -9.799   7.873   0.249
  238    HG   LEU  33           HG       LEU  33 -10.409   5.991   2.541
  239   1HD1  LEU  33          1HD1      LEU  33 -12.202   7.669   2.394
  240   2HD1  LEU  33          2HD1      LEU  33 -12.622   7.076   0.766
  241   3HD1  LEU  33          3HD1      LEU  33 -12.768   6.095   2.251
  242   1HD2  LEU  33          1HD2      LEU  33  -9.398   5.531   0.117
  243   2HD2  LEU  33          2HD2      LEU  33 -10.685   4.462   0.609
  244   3HD2  LEU  33          3HD2      LEU  33 -11.029   5.801  -0.487
  245    H    VAL  34           H        VAL  34  -8.209   9.913   1.307
  246    HA   VAL  34           HA       VAL  34  -6.124   9.660  -0.591
  247    HB   VAL  34           HB       VAL  34  -7.232  11.764   1.020
  248   1HG1  VAL  34          1HG1      VAL  34  -4.869  12.174  -0.850
  249   2HG1  VAL  34          2HG1      VAL  34  -5.890  13.489  -0.220
  250   3HG1  VAL  34          3HG1      VAL  34  -4.910  12.531   0.891
  251   1HG2  VAL  34          1HG2      VAL  34  -8.436  10.939  -0.957
  252   2HG2  VAL  34          2HG2      VAL  34  -7.968  12.636  -1.136
  253   3HG2  VAL  34          3HG2      VAL  34  -7.035  11.362  -1.968
  254    H    LYS  35           H        LYS  35  -6.173   9.591   2.878
  255    HA   LYS  35           HA       LYS  35  -3.325  10.276   3.304
  256   1HB   LYS  35          1HB       LYS  35  -4.738  11.156   4.883
  257   2HB   LYS  35          2HB       LYS  35  -5.708   9.689   4.958
  258   1HG   LYS  35          1HG       LYS  35  -3.844   8.452   5.918
  259   2HG   LYS  35          2HG       LYS  35  -2.855   9.921   5.921
  260   1HD   LYS  35          1HD       LYS  35  -3.985  10.868   7.596
  261   2HD   LYS  35          2HD       LYS  35  -5.555  10.228   7.115
  262   1HE   LYS  35          1HE       LYS  35  -3.393   8.576   8.510
  263   2HE   LYS  35          2HE       LYS  35  -4.752   9.334   9.353
  264   1HZ   LYS  35          1HZ       LYS  35  -5.200   7.347   7.199
  265   2HZ   LYS  35          2HZ       LYS  35  -5.084   6.936   8.788
  266   3HZ   LYS  35          3HZ       LYS  35  -6.271   7.844   8.341
  267    H    LEU  36           H        LEU  36  -5.479   7.225   3.271
  268    HA   LEU  36           HA       LEU  36  -3.259   5.662   4.030
  269   1HB   LEU  36          1HB       LEU  36  -6.183   5.344   3.118
  270   2HB   LEU  36          2HB       LEU  36  -5.171   3.940   3.399
  271    HG   LEU  36           HG       LEU  36  -6.033   5.907   5.484
  272   1HD1  LEU  36          1HD1      LEU  36  -7.445   4.073   4.879
  273   2HD1  LEU  36          2HD1      LEU  36  -6.079   2.949   5.243
  274   3HD1  LEU  36          3HD1      LEU  36  -6.822   3.935   6.538
  275   1HD2  LEU  36          1HD2      LEU  36  -3.765   4.004   5.580
  276   2HD2  LEU  36          2HD2      LEU  36  -3.817   5.705   6.079
  277   3HD2  LEU  36          3HD2      LEU  36  -4.678   4.497   7.049
  278    H    VAL  37           H        VAL  37  -4.727   6.948   1.131
  279    HA   VAL  37           HA       VAL  37  -3.455   5.248  -0.730
  280    HB   VAL  37           HB       VAL  37  -4.644   8.006  -0.749
  281   1HG1  VAL  37          1HG1      VAL  37  -2.814   7.181  -2.980
  282   2HG1  VAL  37          2HG1      VAL  37  -4.052   8.459  -3.113
  283   3HG1  VAL  37          3HG1      VAL  37  -2.718   8.654  -1.998
  284   1HG2  VAL  37          1HG2      VAL  37  -4.997   5.587  -2.531
  285   2HG2  VAL  37          2HG2      VAL  37  -6.075   6.195  -1.238
  286   3HG2  VAL  37          3HG2      VAL  37  -5.879   7.120  -2.712
  287    H    THR  38           H        THR  38  -2.521   8.213   0.862
  288    HA   THR  38           HA       THR  38  -0.070   8.643  -0.530
  289    HB   THR  38           HB       THR  38  -1.344   9.825   1.461
  290    HG1  THR  38           HG1      THR  38  -2.456  10.344  -0.183
  291   1HG2  THR  38          1HG2      THR  38   0.984  10.523   1.850
  292   2HG2  THR  38          2HG2      THR  38   1.140  10.921   0.124
  293   3HG2  THR  38          3HG2      THR  38   0.113  11.916   1.183
  294    H    HIS  39           H        HIS  39  -1.058   7.369   2.691
  295    HA   HIS  39           HA       HIS  39   1.493   7.014   3.796
  296   1HB   HIS  39          1HB       HIS  39  -0.820   6.477   4.965
  297   2HB   HIS  39          2HB       HIS  39  -0.769   5.145   3.880
  298    HD1  HIS  39           HD1      HIS  39   2.226   6.294   6.122
  299    HD2  HIS  39           HD2      HIS  39  -0.070   2.965   4.971
  300    HE1  HIS  39           HE1      HIS  39   2.793   4.447   7.757
  301    H    PHE  40           H        PHE  40  -0.419   5.000   1.470
  302    HA   PHE  40           HA       PHE  40   1.638   2.947   1.403
  303   1HB   PHE  40          1HB       PHE  40  -0.613   2.649   0.383
  304   2HB   PHE  40          2HB       PHE  40  -0.176   3.793  -0.860
  305    HD1  PHE  40           HD1      PHE  40   2.381   3.109  -2.125
  306    HD2  PHE  40           HD2      PHE  40  -0.571   0.516  -0.340
  307    HE1  PHE  40           HE1      PHE  40   2.960   1.449  -3.616
  308    HE2  PHE  40           HE2      PHE  40  -0.010  -1.240  -1.988
  309    HZ   PHE  40           HZ       PHE  40   1.759  -0.792  -3.696
  310    H    GLU  41           H        GLU  41   1.005   5.676  -0.799
  311    HA   GLU  41           HA       GLU  41   3.075   5.571  -2.539
  312   1HB   GLU  41          1HB       GLU  41   1.790   7.925  -1.808
  313   2HB   GLU  41          2HB       GLU  41   2.860   7.588  -3.210
  314   1HG   GLU  41          2HG       GLU  41   0.276   6.289  -2.506
  315   2HG   GLU  41          1HG       GLU  41   0.730   7.433  -3.732
  316    H    GLU  42           H        GLU  42   3.157   6.593   0.735
  317    HA   GLU  42           HA       GLU  42   5.529   8.043   0.843
  318   1HB   GLU  42          1HB       GLU  42   3.673   8.639   2.173
  319   2HB   GLU  42          2HB       GLU  42   3.828   7.025   2.654
  320   1HG   GLU  42          1HG       GLU  42   6.166   8.426   3.488
  321   2HG   GLU  42          2HG       GLU  42   4.680   9.254   4.005
  322    H    MET  43           H        MET  43   4.272   5.115   2.074
  323    HA   MET  43           HA       MET  43   6.211   4.418   3.733
  324   1HB   MET  43          1HB       MET  43   3.862   3.037   2.540
  325   2HB   MET  43          2HB       MET  43   4.986   2.017   3.361
  326   1HG   MET  43          1HG       MET  43   4.056   4.582   4.639
  327   2HG   MET  43          2HG       MET  43   3.154   3.067   4.763
  328   1HE   MET  43          1HE       MET  43   4.589   5.193   6.708
  329   2HE   MET  43          2HE       MET  43   4.972   4.154   8.084
  330   3HE   MET  43          3HE       MET  43   6.278   4.825   7.074
  331    H    THR  44           H        THR  44   5.798   3.414   0.458
  332    HA   THR  44           HA       THR  44   7.540   1.148   0.930
  333    HB   THR  44           HB       THR  44   5.456   0.674   0.187
  334    HG1  THR  44           HG1      THR  44   5.910  -0.421  -1.760
  335   1HG2  THR  44          1HG2      THR  44   5.673   2.913  -1.624
  336   2HG2  THR  44          2HG2      THR  44   5.106   1.441  -2.446
  337   3HG2  THR  44          3HG2      THR  44   4.293   1.992  -1.008
  338    H    GLU  45           H        GLU  45   8.318   4.221  -0.014
  339    HA   GLU  45           HA       GLU  45  10.117   5.153  -1.204
  340   1HB   GLU  45          1HB       GLU  45  11.354   2.514  -1.079
  341   2HB   GLU  45          2HB       GLU  45  12.238   3.904  -1.298
  342   1HG   GLU  45          1HG       GLU  45  12.212   4.435   1.029
  343   2HG   GLU  45          2HG       GLU  45  10.810   3.384   1.334
  344    H    HIS  46           H        HIS  46   7.887   3.883  -2.707
  345    HA   HIS  46           HA       HIS  46   9.323   2.112  -4.522
  346   1HB   HIS  46          1HB       HIS  46   7.541   1.117  -3.335
  347   2HB   HIS  46          2HB       HIS  46   6.444   2.437  -3.817
  348    HD1  HIS  46           HD1      HIS  46   5.059   2.118  -5.870
  349    HD2  HIS  46           HD2      HIS  46   8.230  -0.625  -5.563
  350    HE1  HIS  46           HE1      HIS  46   4.857   0.552  -7.854
  351    HA   PRO  47           HA       PRO  47   9.187   4.193  -8.363
  352   1HB   PRO  47          2HB       PRO  47   7.526   1.825  -9.222
  353   2HB   PRO  47          1HB       PRO  47   8.959   2.554 -10.009
  354   1HG   PRO  47          1HG       PRO  47   8.892   0.353  -8.096
  355   2HG   PRO  47          2HG       PRO  47  10.352   1.179  -8.650
  356   1HD   PRO  47          1HD       PRO  47   9.448   1.131  -6.203
  357   2HD   PRO  47          2HD       PRO  47  10.608   2.291  -6.869
  358    H    SER  48           H        SER  48   5.729   2.807  -8.017
  359    HA   SER  48           HA       SER  48   5.246   4.684 -10.061
  360   1HB   SER  48          1HB       SER  48   4.027   2.370  -9.109
  361   2HB   SER  48          2HB       SER  48   2.836   3.674  -9.355
  362    HG   SER  48           HG       SER  48   2.997   2.978 -11.328
  363    H    GLY  49           H        GLY  49   4.690   4.700  -6.743
  364   1HA   GLY  49          2HA       GLY  49   4.432   6.783  -5.300
  365   2HA   GLY  49          1HA       GLY  49   3.060   5.818  -5.562
  366    H    SER  50           H        SER  50   1.522   6.335  -6.893
  367    HA   SER  50           HA       SER  50   0.030   8.448  -7.342
  368   1HB   SER  50          1HB       SER  50   1.766  10.002  -7.913
  369   2HB   SER  50          2HB       SER  50   2.508   8.874  -9.061
  370    HG   SER  50           HG       SER  50   0.928   9.198 -10.482
  371    H    ASP  51           H        ASP  51   1.386   5.349  -8.798
  372    HA   ASP  51           HA       ASP  51  -0.364   5.633 -11.020
  373   1HB   ASP  51          1HB       ASP  51   2.666   5.419 -11.103
  374   2HB   ASP  51          2HB       ASP  51   1.619   4.901 -12.392
  375    H    LEU  52           H        LEU  52   0.255   4.061  -8.132
  376    HA   LEU  52           HA       LEU  52  -0.347   1.533  -9.518
  377   1HB   LEU  52          2HB       LEU  52   1.167   0.367  -8.339
  378   2HB   LEU  52          1HB       LEU  52   2.126   1.665  -8.855
  379    HG   LEU  52           HG       LEU  52   1.111   2.005  -6.106
  380   1HD1  LEU  52          1HD1      LEU  52   2.959  -0.091  -7.082
  381   2HD1  LEU  52          2HD1      LEU  52   2.923   0.519  -5.405
  382   3HD1  LEU  52          3HD1      LEU  52   1.465  -0.217  -6.102
  383   1HD2  LEU  52          1HD2      LEU  52   3.816   2.520  -7.124
  384   2HD2  LEU  52          2HD2      LEU  52   2.521   3.708  -6.783
  385   3HD2  LEU  52          3HD2      LEU  52   3.203   2.758  -5.482
  386    H    ILE  53           H        ILE  53  -2.102   3.534  -7.640
  387    HA   ILE  53           HA       ILE  53  -3.134   1.202  -6.170
  388    HB   ILE  53           HB       ILE  53  -2.674   3.995  -5.248
  389   1HG1  ILE  53          1HG1      ILE  53  -1.996   1.352  -3.851
  390   2HG1  ILE  53          2HG1      ILE  53  -0.870   2.132  -4.984
  391   1HG2  ILE  53          1HG2      ILE  53  -4.421   1.815  -4.161
  392   2HG2  ILE  53          2HG2      ILE  53  -3.758   3.126  -3.132
  393   3HG2  ILE  53          3HG2      ILE  53  -4.824   3.531  -4.492
  394   1HD1  ILE  53          1HD1      ILE  53  -1.290   4.215  -3.542
  395   2HD1  ILE  53          2HD1      ILE  53  -1.603   2.901  -2.337
  396   3HD1  ILE  53          3HD1      ILE  53  -0.080   2.962  -3.282
  397    H    TYR  54           H        TYR  54  -3.587   2.417  -8.967
  398    HA   TYR  54           HA       TYR  54  -6.346   2.778  -8.855
  399   1HB   TYR  54          1HB       TYR  54  -5.777   5.335  -9.898
  400   2HB   TYR  54          2HB       TYR  54  -6.794   4.838  -8.556
  401    HD1  TYR  54           HD1      TYR  54  -3.057   4.907  -9.145
  402    HD2  TYR  54           HD2      TYR  54  -6.280   6.222  -6.578
  403    HE1  TYR  54           HE1      TYR  54  -1.551   5.387  -7.562
  404    HE2  TYR  54           HE2      TYR  54  -4.573   7.101  -4.990
  405    HH   TYR  54           HH       TYR  54  -1.065   6.311  -5.370
  406    H    TYR  55           H        TYR  55  -3.559   3.820 -10.416
  407    HA   TYR  55           HA       TYR  55  -4.639   4.578 -12.966
  408   1HB   TYR  55          1HB       TYR  55  -2.986   5.778 -11.592
  409   2HB   TYR  55          2HB       TYR  55  -1.855   4.469 -11.794
  410    HD1  TYR  55           HD1      TYR  55  -1.636   3.970 -14.705
  411    HD2  TYR  55           HD2      TYR  55  -1.951   7.620 -12.382
  412    HE1  TYR  55           HE1      TYR  55  -0.009   5.060 -16.165
  413    HE2  TYR  55           HE2      TYR  55  -0.330   8.681 -13.849
  414    HH   TYR  55           HH       TYR  55   1.667   7.480 -14.967
  415    HA   PRO  56           HA       PRO  56  -2.150   0.496 -14.350
  416   1HB   PRO  56          1HB       PRO  56  -2.217  -1.383 -12.373
  417   2HB   PRO  56          2HB       PRO  56  -0.816  -0.356 -12.718
  418   1HG   PRO  56          2HG       PRO  56  -3.055   0.448 -10.721
  419   2HG   PRO  56          1HG       PRO  56  -1.342   0.123 -10.377
  420   1HD   PRO  56          1HD       PRO  56  -2.046   2.566 -10.939
  421   2HD   PRO  56          2HD       PRO  56  -0.796   1.911 -12.039
  422    H    LYS  57           H        LYS  57  -3.989  -0.870 -15.315
  423    HA   LYS  57           HA       LYS  57  -5.977  -1.765 -13.429
  424   1HB   LYS  57          1HB       LYS  57  -6.748   0.583 -13.960
  425   2HB   LYS  57          2HB       LYS  57  -6.944   0.073 -15.615
  426   1HG   LYS  57          1HG       LYS  57  -8.921  -0.910 -15.148
  427   2HG   LYS  57          2HG       LYS  57  -8.238  -1.900 -13.874
  428   1HD   LYS  57          1HD       LYS  57  -8.998   0.997 -13.368
  429   2HD   LYS  57          2HD       LYS  57 -10.096  -0.383 -13.171
  430   1HE   LYS  57          1HE       LYS  57  -9.312  -0.117 -11.009
  431   2HE   LYS  57          2HE       LYS  57  -8.306  -1.423 -11.644
  432   1HZ   LYS  57          1HZ       LYS  57  -6.529   0.196 -11.961
  433   2HZ   LYS  57          2HZ       LYS  57  -7.414   1.406 -11.350
  434   3HZ   LYS  57          3HZ       LYS  57  -6.983   0.091 -10.437
  435    H    GLU  58           H        GLU  58  -5.238  -1.487 -16.644
  436    HA   GLU  58           HA       GLU  58  -7.320  -3.000 -17.740
  437   1HB   GLU  58          1HB       GLU  58  -6.372  -1.210 -18.918
  438   2HB   GLU  58          2HB       GLU  58  -5.011  -2.273 -19.118
  439   1HG   GLU  58          2HG       GLU  58  -6.155  -2.330 -21.180
  440   2HG   GLU  58          1HG       GLU  58  -6.488  -3.876 -20.425
  441    H    GLY  59           H        GLY  59  -4.732  -3.808 -18.431
  442   1HA   GLY  59          2HA       GLY  59  -3.654  -6.147 -19.078
  443   2HA   GLY  59          1HA       GLY  59  -4.852  -6.823 -17.945
  444    H    ASP  60           H        ASP  60  -4.330  -4.278 -16.027
  445    HA   ASP  60           HA       ASP  60  -1.468  -4.760 -15.531
  446   1HB   ASP  60          1HB       ASP  60  -2.649  -2.175 -14.789
  447   2HB   ASP  60          2HB       ASP  60  -1.079  -2.516 -15.386
  448    H    ASP  61           H        ASP  61  -1.108  -5.476 -13.820
  449    HA   ASP  61           HA       ASP  61  -2.613  -6.418 -11.855
  450   1HB   ASP  61          1HB       ASP  61  -0.605  -7.101 -10.942
  451   2HB   ASP  61          2HB       ASP  61  -0.374  -7.155 -12.631
  452    H    ASP  62           H        ASP  62  -3.907  -4.244 -11.552
  453    HA   ASP  62           HA       ASP  62  -2.821  -2.521  -9.420
  454   1HB   ASP  62          1HB       ASP  62  -3.854  -1.398 -11.067
  455   2HB   ASP  62          2HB       ASP  62  -5.024  -2.594 -11.275
  456    H    SER  63           H        SER  63  -6.091  -3.430  -9.856
  457    HA   SER  63           HA       SER  63  -7.671  -4.336  -8.794
  458   1HB   SER  63          2HB       SER  63  -5.806  -6.524  -7.770
  459   2HB   SER  63          1HB       SER  63  -7.574  -6.566  -7.703
  460    HG   SER  63           HG       SER  63  -6.188  -6.199 -10.118
  461    HA   PRO  64           HA       PRO  64  -6.486  -2.947  -4.502
  462   1HB   PRO  64          2HB       PRO  64  -7.592  -5.511  -3.261
  463   2HB   PRO  64          1HB       PRO  64  -7.766  -3.842  -2.719
  464   1HG   PRO  64          1HG       PRO  64  -9.823  -5.047  -4.027
  465   2HG   PRO  64          2HG       PRO  64  -9.359  -3.390  -4.556
  466   1HD   PRO  64          1HD       PRO  64  -8.445  -6.034  -5.692
  467   2HD   PRO  64          2HD       PRO  64  -9.119  -4.633  -6.590
  468    H    SER  65           H        SER  65  -5.605  -5.941  -5.465
  469    HA   SER  65           HA       SER  65  -3.493  -6.291  -3.529
  470   1HB   SER  65          1HB       SER  65  -3.987  -8.674  -4.305
  471   2HB   SER  65          2HB       SER  65  -5.278  -7.819  -3.406
  472    HG   SER  65           HG       SER  65  -6.086  -8.902  -5.279
  473    H    GLY  66           H        GLY  66  -3.659  -6.421  -6.851
  474   1HA   GLY  66          2HA       GLY  66  -2.308  -6.546  -8.553
  475   2HA   GLY  66          1HA       GLY  66  -1.158  -7.449  -7.660
  476    H    ILE  67           H        ILE  67  -2.772  -4.171  -7.011
  477    HA   ILE  67           HA       ILE  67  -0.456  -2.836  -7.483
  478    HB   ILE  67           HB       ILE  67  -1.496  -1.087  -5.725
  479   1HG1  ILE  67          1HG1      ILE  67  -3.583  -3.174  -5.544
  480   2HG1  ILE  67          2HG1      ILE  67  -2.565  -2.412  -4.410
  481   1HG2  ILE  67          1HG2      ILE  67  -1.938  -1.193  -8.305
  482   2HG2  ILE  67          2HG2      ILE  67  -3.561  -1.861  -7.735
  483   3HG2  ILE  67          3HG2      ILE  67  -3.082  -0.280  -7.383
  484   1HD1  ILE  67          1HD1      ILE  67  -4.672  -0.800  -5.935
  485   2HD1  ILE  67          2HD1      ILE  67  -4.966  -1.519  -4.390
  486   3HD1  ILE  67          3HD1      ILE  67  -3.700  -0.290  -4.537
  487    H    VAL  68           H        VAL  68  -1.423  -4.076  -4.495
  488    HA   VAL  68           HA       VAL  68   0.837  -2.954  -3.027
  489    HB   VAL  68           HB       VAL  68  -0.725  -5.586  -2.412
  490   1HG1  VAL  68          1HG1      VAL  68   1.176  -4.693  -0.821
  491   2HG1  VAL  68          2HG1      VAL  68   0.076  -3.340  -0.496
  492   3HG1  VAL  68          3HG1      VAL  68  -0.411  -4.977  -0.063
  493   1HG2  VAL  68          1HG2      VAL  68  -1.697  -2.790  -2.196
  494   2HG2  VAL  68          2HG2      VAL  68  -2.481  -4.230  -2.887
  495   3HG2  VAL  68          3HG2      VAL  68  -2.320  -4.072  -1.144
  496    H    ASN  69           H        ASN  69   0.035  -5.584  -4.979
  497    HA   ASN  69           HA       ASN  69   2.270  -7.407  -4.758
  498   1HB   ASN  69          1HB       ASN  69   0.024  -7.272  -6.104
  499   2HB   ASN  69          2HB       ASN  69   1.291  -7.817  -7.136
  500   2HD2  ASN  69          2HD2      ASN  69  -0.579  -9.657  -6.775
  501   1HD2  ASN  69          1HD2      ASN  69  -0.342 -10.758  -5.415
  502    H    THR  70           H        THR  70   1.610  -4.617  -6.905
  503    HA   THR  70           HA       THR  70   3.682  -5.154  -8.399
  504    HB   THR  70           HB       THR  70   2.563  -2.398  -7.707
  505    HG1  THR  70           HG1      THR  70   1.575  -4.291  -9.592
  506   1HG2  THR  70          1HG2      THR  70   4.576  -2.121  -9.086
  507   2HG2  THR  70          2HG2      THR  70   3.869  -3.198 -10.323
  508   3HG2  THR  70          3HG2      THR  70   3.107  -1.636  -9.950
  509    H    VAL  71           H        VAL  71   3.281  -3.375  -5.472
  510    HA   VAL  71           HA       VAL  71   6.002  -2.445  -5.084
  511    HB   VAL  71           HB       VAL  71   3.470  -2.579  -3.435
  512   1HG1  VAL  71          1HG1      VAL  71   6.085  -2.487  -2.020
  513   2HG1  VAL  71          2HG1      VAL  71   4.535  -1.938  -1.399
  514   3HG1  VAL  71          3HG1      VAL  71   4.759  -3.656  -1.760
  515   1HG2  VAL  71          1HG2      VAL  71   4.451  -0.815  -4.826
  516   2HG2  VAL  71          2HG2      VAL  71   4.188  -0.390  -3.107
  517   3HG2  VAL  71          3HG2      VAL  71   5.835  -0.787  -3.706
  518    H    LYS  72           H        LYS  72   4.211  -5.217  -4.094
  519    HA   LYS  72           HA       LYS  72   6.362  -6.610  -2.835
  520   1HB   LYS  72          1HB       LYS  72   3.749  -7.289  -3.658
  521   2HB   LYS  72          2HB       LYS  72   4.768  -8.655  -4.093
  522   1HG   LYS  72          1HG       LYS  72   4.282  -8.979  -1.815
  523   2HG   LYS  72          2HG       LYS  72   5.856  -8.173  -1.729
  524   1HD   LYS  72          2HD       LYS  72   4.941  -6.546  -0.626
  525   2HD   LYS  72          1HD       LYS  72   4.082  -6.003  -1.928
  526   1HE   LYS  72          1HE       LYS  72   2.820  -8.046  -0.094
  527   2HE   LYS  72          2HE       LYS  72   2.392  -6.338  -0.224
  528   1HZ   LYS  72          1HZ       LYS  72   1.797  -6.820  -2.551
  529   2HZ   LYS  72          2HZ       LYS  72   2.094  -8.414  -2.322
  530   3HZ   LYS  72          3HZ       LYS  72   0.887  -7.695  -1.485
  531    H    GLN  73           H        GLN  73   6.267  -5.985  -5.836
  532    HA   GLN  73           HA       GLN  73   7.936  -7.979  -6.822
  533   1HB   GLN  73          1HB       GLN  73   6.189  -6.322  -8.201
  534   2HB   GLN  73          2HB       GLN  73   7.475  -7.309  -8.977
  535   1HG   GLN  73          1HG       GLN  73   5.577  -8.435  -6.758
  536   2HG   GLN  73          2HG       GLN  73   5.572  -8.274  -8.385
  537   2HE2  GLN  73          2HE2      GLN  73   7.162  -9.954  -5.857
  538   1HE2  GLN  73          1HE2      GLN  73   7.775 -11.284  -6.857
  539    H    TRP  74           H        TRP  74   7.868  -4.500  -6.824
  540    HA   TRP  74           HA       TRP  74  10.562  -3.927  -7.663
  541   1HB   TRP  74          1HB       TRP  74   8.723  -2.341  -7.769
  542   2HB   TRP  74          2HB       TRP  74   8.937  -2.290  -6.007
  543    HD1  TRP  74           HD1      TRP  74  10.805  -1.633  -9.265
  544    HE1  TRP  74           HE1      TRP  74  12.845  -0.122  -8.928
  545    HE3  TRP  74           HE3      TRP  74  10.235  -0.886  -4.355
  546    HZ2  TRP  74           HZ2      TRP  74  13.945   1.446  -6.725
  547    HZ3  TRP  74           HZ3      TRP  74  11.555   0.759  -3.197
  548    HH2  TRP  74           HH2      TRP  74  13.441   1.983  -4.335
  549    H    ARG  75           H        ARG  75   8.920  -3.889  -4.460
  550    HA   ARG  75           HA       ARG  75  11.243  -3.726  -2.792
  551   1HB   ARG  75          1HB       ARG  75   8.445  -5.003  -2.298
  552   2HB   ARG  75          2HB       ARG  75   9.654  -4.873  -1.087
  553   1HG   ARG  75          1HG       ARG  75   9.696  -2.305  -1.931
  554   2HG   ARG  75          2HG       ARG  75   8.088  -2.654  -2.365
  555   1HD   ARG  75          1HD       ARG  75   7.402  -2.922  -0.113
  556   2HD   ARG  75          2HD       ARG  75   8.974  -3.486   0.414
  557    HE   ARG  75           HE       ARG  75   8.199  -0.680  -0.157
  558   1HH1  ARG  75          1HH1      ARG  75  10.458  -2.911   1.556
  559   2HH1  ARG  75          2HH1      ARG  75  11.266  -1.603   2.362
  560   1HH2  ARG  75          1HH2      ARG  75   9.160   0.946   1.350
  561   2HH2  ARG  75          2HH2      ARG  75  10.685   0.602   2.014
  562    H    ALA  76           H        ALA  76  10.019  -6.392  -4.764
  563    HA   ALA  76           HA       ALA  76  11.484  -8.361  -3.123
  564   1HB   ALA  76          1HB       ALA  76   9.475  -8.733  -5.347
  565   2HB   ALA  76          3HB       ALA  76  10.286 -10.071  -4.524
  566   3HB   ALA  76          2HB       ALA  76   9.228  -9.004  -3.588
  567    H    ALA  77           H        ALA  77  11.671  -6.711  -5.965
  568    HA   ALA  77           HA       ALA  77  13.509  -8.577  -7.340
  569   1HB   ALA  77          1HB       ALA  77  11.840  -7.339  -8.699
  570   2HB   ALA  77          3HB       ALA  77  12.388  -5.793  -8.018
  571   3HB   ALA  77          2HB       ALA  77  13.454  -6.695  -9.109
  572    H    ASN  78           H        ASN  78  13.415  -5.422  -6.062
  573    HA   ASN  78           HA       ASN  78  16.183  -4.806  -5.875
  574   1HB   ASN  78          1HB       ASN  78  13.862  -3.425  -5.747
  575   2HB   ASN  78          2HB       ASN  78  13.801  -4.130  -4.187
  576   2HD2  ASN  78          2HD2      ASN  78  14.362  -1.194  -5.565
  577   1HD2  ASN  78          1HD2      ASN  78  15.671  -0.637  -4.542
  578    H    GLY  79           H        GLY  79  14.094  -6.776  -4.495
  579   1HA   GLY  79          2HA       GLY  79  15.901  -8.090  -2.597
  580   2HA   GLY  79          1HA       GLY  79  14.161  -8.408  -2.667
  581    H    LYS  80           H        LYS  80  13.843  -5.494  -2.342
  582    HA   LYS  80           HA       LYS  80  14.552  -3.923  -0.272
  583   1HB   LYS  80          1HB       LYS  80  11.779  -4.287  -0.805
  584   2HB   LYS  80          2HB       LYS  80  12.548  -3.115   0.242
  585   1HG   LYS  80          1HG       LYS  80  14.269  -3.022  -1.919
  586   2HG   LYS  80          2HG       LYS  80  12.916  -3.180  -2.744
  587   1HD   LYS  80          1HD       LYS  80  13.557  -1.392  -0.865
  588   2HD   LYS  80          2HD       LYS  80  13.625  -1.328  -2.610
  589   1HE   LYS  80          1HE       LYS  80  11.464  -0.963  -2.635
  590   2HE   LYS  80          2HE       LYS  80  11.141  -1.571  -1.100
  591   1HZ   LYS  80          1HZ       LYS  80  12.573   0.932  -1.218
  592   2HZ   LYS  80          2HZ       LYS  80  10.960   0.797  -0.932
  593   3HZ   LYS  80          3HZ       LYS  80  12.091   0.207   0.100
  594    H    SER  81           H        SER  81  12.000  -6.015   0.256
  595    HA   SER  81           HA       SER  81  11.067  -7.373   1.870
  596   1HB   SER  81          1HB       SER  81  13.192  -6.831   3.457
  597   2HB   SER  81          2HB       SER  81  11.965  -8.078   3.690
  598    HG   SER  81           HG       SER  81  13.971  -8.018   1.636
  599    H    GLY  82           H        GLY  82  11.669  -5.980   4.381
  600   1HA   GLY  82          2HA       GLY  82   9.609  -3.828   3.971
  601   2HA   GLY  82          1HA       GLY  82  10.959  -3.559   5.065
  602    H    PHE  83           H        PHE  83   8.331  -5.793   4.383
  603    HA   PHE  83           HA       PHE  83   7.366  -5.163   6.911
  604   1HB   PHE  83          2HB       PHE  83   6.076  -7.215   5.123
  605   2HB   PHE  83          1HB       PHE  83   5.352  -6.156   6.302
  606    HD1  PHE  83           HD1      PHE  83   6.866  -6.200   3.098
  607    HD2  PHE  83           HD2      PHE  83   4.105  -4.240   5.735
  608    HE1  PHE  83           HE1      PHE  83   6.118  -4.929   1.237
  609    HE2  PHE  83           HE2      PHE  83   3.368  -2.898   3.957
  610    HZ   PHE  83           HZ       PHE  83   4.161  -3.298   1.473
  611    H    LYS  84           H        LYS  84   6.002  -7.115   7.308
  612    HA   LYS  84           HA       LYS  84   7.120  -8.621   9.447
  613   1HB   LYS  84          1HB       LYS  84   6.580  -6.241   9.622
  614   2HB   LYS  84          2HB       LYS  84   4.976  -6.849   9.446
  615   1HG   LYS  84          1HG       LYS  84   4.906  -7.992  11.454
  616   2HG   LYS  84          2HG       LYS  84   6.674  -8.123  11.569
  617   1HD   LYS  84          1HD       LYS  84   6.959  -6.013  12.356
  618   2HD   LYS  84          2HD       LYS  84   5.581  -5.370  11.460
  619   1HE   LYS  84          2HE       LYS  84   5.085  -5.220  13.832
  620   2HE   LYS  84          1HE       LYS  84   3.986  -6.332  13.008
  621   1HZ   LYS  84          1HZ       LYS  84   5.462  -8.160  13.779
  622   2HZ   LYS  84          2HZ       LYS  84   6.170  -7.078  14.837
  623   3HZ   LYS  84          3HZ       LYS  84   4.542  -7.508  14.843
  624    H    GLN  85           H        GLN  85   5.376  -9.701  10.211
  625    HA   GLN  85           HA       GLN  85   3.600 -11.209   8.341
  626   1HB   GLN  85          1HB       GLN  85   5.708 -12.267   9.209
  627   2HB   GLN  85          2HB       GLN  85   4.258 -13.057   9.906
  628   1HG   GLN  85          1HG       GLN  85   3.383 -13.455   7.705
  629   2HG   GLN  85          2HG       GLN  85   4.727 -12.553   6.974
  630   2HE2  GLN  85          2HE2      GLN  85   5.869 -14.106   5.785
  631   1HE2  GLN  85          1HE2      GLN  85   6.412 -15.620   6.502
  632    H    GLY  86           H        GLY  86   4.429 -10.918  11.679
  633   1HA   GLY  86          2HA       GLY  86   2.410 -11.421  13.307
  634   2HA   GLY  86          1HA       GLY  86   1.848  -9.946  12.469

  No H/Q in entry =         634
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -6.344   4.184  10.339
    2    H2   MET   1           H2       MET   1  -6.973   4.246  11.859
    3    H3   MET   1           H3       MET   1  -7.666   5.113  10.613
    4    HA   MET   1           HA       MET   1  -5.837   6.518  10.405
    5   1HB   MET   1          1HB       MET   1  -7.426   7.176  12.104
    6   2HB   MET   1          2HB       MET   1  -6.450   6.310  13.340
    7   1HG   MET   1          1HG       MET   1  -4.611   7.774  13.054
    8   2HG   MET   1          2HG       MET   1  -5.243   8.441  11.557
    9   1HE   MET   1          1HE       MET   1  -6.695  10.460  11.307
   10   2HE   MET   1          2HE       MET   1  -8.046   9.452  11.857
   11   3HE   MET   1          3HE       MET   1  -7.804  11.069  12.554
   12    H    GLU   2           H        GLU   2  -5.324   4.213  12.989
   13    HA   GLU   2           HA       GLU   2  -2.688   3.591  13.071
   14   1HB   GLU   2          1HB       GLU   2  -4.975   1.744  12.334
   15   2HB   GLU   2          2HB       GLU   2  -3.417   1.320  13.038
   16   1HG   GLU   2          1HG       GLU   2  -4.672   1.291  14.870
   17   2HG   GLU   2          2HG       GLU   2  -4.077   2.927  14.983
   18    H    LEU   3           H        LEU   3  -1.319   2.840  11.723
   19    HA   LEU   3           HA       LEU   3  -1.442   2.563   9.045
   20   1HB   LEU   3          1HB       LEU   3  -1.042   5.215  10.385
   21   2HB   LEU   3          2HB       LEU   3   0.171   4.840   9.153
   22    HG   LEU   3           HG       LEU   3  -2.789   5.071   8.840
   23   1HD1  LEU   3          1HD1      LEU   3  -0.337   6.529   7.702
   24   2HD1  LEU   3          2HD1      LEU   3  -1.985   6.917   7.239
   25   3HD1  LEU   3          3HD1      LEU   3  -1.437   7.166   8.924
   26   1HD2  LEU   3          1HD2      LEU   3  -1.056   3.487   7.153
   27   2HD2  LEU   3          2HD2      LEU   3  -2.803   3.632   7.221
   28   3HD2  LEU   3          3HD2      LEU   3  -1.857   4.775   6.253
   29    H    LYS   4           H        LYS   4   0.889   4.118  10.796
   30    HA   LYS   4           HA       LYS   4   2.668   3.242  12.328
   31   1HB   LYS   4          2HB       LYS   4   2.739   0.752  10.842
   32   2HB   LYS   4          1HB       LYS   4   3.621   1.322  12.270
   33   1HG   LYS   4          1HG       LYS   4   2.020   0.818  13.732
   34   2HG   LYS   4          2HG       LYS   4   0.771   1.565  12.775
   35   1HD   LYS   4          1HD       LYS   4  -0.007  -0.560  12.722
   36   2HD   LYS   4          2HD       LYS   4   0.965  -0.592  11.275
   37   1HE   LYS   4          1HE       LYS   4   2.791  -1.618  12.401
   38   2HE   LYS   4          2HE       LYS   4   2.036  -1.454  13.989
   39   1HZ   LYS   4          1HZ       LYS   4   0.808  -3.124  11.849
   40   2HZ   LYS   4          2HZ       LYS   4   1.983  -3.685  12.803
   41   3HZ   LYS   4          3HZ       LYS   4   0.525  -3.190  13.418
   42    H    HIS   5           H        HIS   5   4.924   2.837  11.833
   43    HA   HIS   5           HA       HIS   5   5.286   5.492  10.595
   44   1HB   HIS   5          2HB       HIS   5   7.615   4.414  12.041
   45   2HB   HIS   5          1HB       HIS   5   6.849   5.958  12.122
   46    HD1  HIS   5           HD1      HIS   5   4.827   6.081  14.131
   47    HD2  HIS   5           HD2      HIS   5   7.169   2.648  13.623
   48    HE1  HIS   5           HE1      HIS   5   4.457   4.683  16.262
   49    H    SER   6           H        SER   6   6.180   2.346  10.496
   50    HA   SER   6           HA       SER   6   7.549   2.751   8.036
   51   1HB   SER   6          1HB       SER   6   8.221   0.439   8.613
   52   2HB   SER   6          2HB       SER   6   9.098   1.923   9.116
   53    HG   SER   6           HG       SER   6   7.556   1.124  11.119
   54    H    ILE   7           H        ILE   7   7.306   1.237   6.492
   55    HA   ILE   7           HA       ILE   7   4.930  -0.295   6.061
   56    HB   ILE   7           HB       ILE   7   6.582   0.717   4.408
   57   1HG1  ILE   7          1HG1      ILE   7   5.223  -1.895   4.244
   58   2HG1  ILE   7          2HG1      ILE   7   5.006  -0.429   3.324
   59   1HG2  ILE   7          1HG2      ILE   7   8.650  -0.148   5.529
   60   2HG2  ILE   7          2HG2      ILE   7   8.257  -1.759   4.866
   61   3HG2  ILE   7          3HG2      ILE   7   8.583  -0.374   3.798
   62   1HD1  ILE   7          1HD1      ILE   7   7.189  -0.959   2.183
   63   2HD1  ILE   7          2HD1      ILE   7   7.021  -2.582   2.900
   64   3HD1  ILE   7          3HD1      ILE   7   5.773  -1.930   1.788
   65    H    SER   8           H        SER   8   7.208  -0.757   8.323
   66    HA   SER   8           HA       SER   8   7.499  -3.621   8.122
   67   1HB   SER   8          1HB       SER   8   9.520  -3.115   8.128
   68   2HB   SER   8          2HB       SER   8   9.008  -1.612   7.622
   69    HG   SER   8           HG       SER   8   9.226  -0.869   9.908
   70    H    ASP   9           H        ASP   9   6.304  -0.902  10.103
   71    HA   ASP   9           HA       ASP   9   6.444  -2.512  12.505
   72   1HB   ASP   9          1HB       ASP   9   4.568  -0.355  11.456
   73   2HB   ASP   9          2HB       ASP   9   4.466  -0.899  13.135
   74    H    TYR  10           H        TYR  10   4.895  -2.765   9.480
   75    HA   TYR  10           HA       TYR  10   2.680  -4.369  10.617
   76   1HB   TYR  10          1HB       TYR  10   1.034  -3.251   9.313
   77   2HB   TYR  10          2HB       TYR  10   1.962  -2.055  10.143
   78    HD1  TYR  10           HD1      TYR  10   1.928  -3.786   6.780
   79    HD2  TYR  10           HD2      TYR  10   2.569  -0.136   8.967
   80    HE1  TYR  10           HE1      TYR  10   2.359  -2.681   4.732
   81    HE2  TYR  10           HE2      TYR  10   2.940   1.005   6.844
   82    HH   TYR  10           HH       TYR  10   2.497  -0.384   3.689
   83    H    THR  11           H        THR  11   2.255  -6.245   9.547
   84    HA   THR  11           HA       THR  11   4.469  -7.434   8.189
   85    HB   THR  11           HB       THR  11   3.720  -9.104   8.536
   86    HG1  THR  11           HG1      THR  11   2.482  -9.863   6.999
   87   1HG2  THR  11          1HG2      THR  11   2.512  -8.035  10.521
   88   2HG2  THR  11          2HG2      THR  11   1.033  -8.024   9.551
   89   3HG2  THR  11          3HG2      THR  11   1.712  -9.561  10.009
   90    H    GLU  12           H        GLU  12   3.942  -8.634   5.852
   91    HA   GLU  12           HA       GLU  12   3.248  -6.617   3.934
   92   1HB   GLU  12          1HB       GLU  12   4.873  -8.663   3.811
   93   2HB   GLU  12          2HB       GLU  12   3.393  -9.594   3.458
   94   1HG   GLU  12          1HG       GLU  12   2.969  -7.470   1.827
   95   2HG   GLU  12          2HG       GLU  12   4.585  -7.252   1.954
   96    H    ALA  13           H        ALA  13   1.377  -8.915   5.591
   97    HA   ALA  13           HA       ALA  13  -0.898  -8.965   3.631
   98   1HB   ALA  13          1HB       ALA  13  -0.371 -11.094   4.840
   99   2HB   ALA  13          3HB       ALA  13  -0.609 -10.258   6.394
  100   3HB   ALA  13          2HB       ALA  13  -1.976 -10.466   5.278
  101    H    GLU  14           H        GLU  14   0.221  -7.558   6.594
  102    HA   GLU  14           HA       GLU  14  -2.060  -6.025   7.297
  103   1HB   GLU  14          1HB       GLU  14   0.746  -6.329   7.942
  104   2HB   GLU  14          2HB       GLU  14   0.357  -4.613   7.859
  105   1HG   GLU  14          1HG       GLU  14  -1.633  -5.272   9.263
  106   2HG   GLU  14          2HG       GLU  14  -0.837  -6.890   9.383
  107    H    PHE  15           H        PHE  15   0.529  -5.545   4.884
  108    HA   PHE  15           HA       PHE  15  -0.438  -2.866   4.166
  109   1HB   PHE  15          1HB       PHE  15   1.880  -4.234   3.509
  110   2HB   PHE  15          2HB       PHE  15   0.962  -4.661   2.136
  111    HD1  PHE  15           HD1      PHE  15   0.311  -1.186   3.443
  112    HD2  PHE  15           HD2      PHE  15   2.569  -3.609   0.661
  113    HE1  PHE  15           HE1      PHE  15   1.147   0.825   2.368
  114    HE2  PHE  15           HE2      PHE  15   3.474  -1.505  -0.351
  115    HZ   PHE  15           HZ       PHE  15   2.825   0.682   0.560
  116    H    LEU  16           H        LEU  16  -0.881  -6.252   3.185
  117    HA   LEU  16           HA       LEU  16  -2.199  -5.462   0.766
  118   1HB   LEU  16          1HB       LEU  16  -1.210  -7.674   1.275
  119   2HB   LEU  16          2HB       LEU  16  -2.526  -8.004   2.400
  120    HG   LEU  16           HG       LEU  16  -4.116  -8.291   0.793
  121   1HD1  LEU  16          1HD1      LEU  16  -3.719  -6.250  -0.635
  122   2HD1  LEU  16          2HD1      LEU  16  -2.396  -7.131  -1.429
  123   3HD1  LEU  16          3HD1      LEU  16  -4.102  -7.701  -1.473
  124   1HD2  LEU  16          1HD2      LEU  16  -2.280 -10.061   0.608
  125   2HD2  LEU  16          2HD2      LEU  16  -3.074  -9.823  -0.953
  126   3HD2  LEU  16          3HD2      LEU  16  -1.473  -9.105  -0.650
  127    H    GLN  17           H        GLN  17  -3.407  -5.978   3.963
  128    HA   GLN  17           HA       GLN  17  -5.982  -5.752   3.321
  129   1HB   GLN  17          2HB       GLN  17  -6.712  -5.450   5.581
  130   2HB   GLN  17          1HB       GLN  17  -5.705  -6.907   5.305
  131   1HG   GLN  17          1HG       GLN  17  -3.807  -5.741   6.056
  132   2HG   GLN  17          2HG       GLN  17  -4.747  -4.245   6.309
  133   2HE2  GLN  17          2HE2      GLN  17  -6.508  -4.297   7.967
  134   1HE2  GLN  17          1HE2      GLN  17  -6.286  -5.355   9.354
  135    H    LEU  18           H        LEU  18  -3.394  -3.581   4.034
  136    HA   LEU  18           HA       LEU  18  -4.982  -1.417   4.880
  137   1HB   LEU  18          1HB       LEU  18  -2.500  -1.720   5.369
  138   2HB   LEU  18          2HB       LEU  18  -2.160  -1.405   3.663
  139    HG   LEU  18           HG       LEU  18  -3.334   0.812   3.992
  140   1HD1  LEU  18          1HD1      LEU  18  -2.926  -0.028   6.904
  141   2HD1  LEU  18          2HD1      LEU  18  -3.205   1.637   6.424
  142   3HD1  LEU  18          3HD1      LEU  18  -4.461   0.430   6.131
  143   1HD2  LEU  18          1HD2      LEU  18  -0.705   0.293   5.388
  144   2HD2  LEU  18          2HD2      LEU  18  -0.980   0.770   3.684
  145   3HD2  LEU  18          3HD2      LEU  18  -1.389   1.881   4.997
  146    H    VAL  19           H        VAL  19  -3.622  -2.539   1.884
  147    HA   VAL  19           HA       VAL  19  -4.157  -0.263  -0.059
  148    HB   VAL  19           HB       VAL  19  -3.686  -3.224  -0.217
  149   1HG1  VAL  19          1HG1      VAL  19  -4.262  -1.178  -2.406
  150   2HG1  VAL  19          2HG1      VAL  19  -3.658  -2.826  -2.648
  151   3HG1  VAL  19          3HG1      VAL  19  -5.253  -2.611  -2.025
  152   1HG2  VAL  19          1HG2      VAL  19  -2.038  -0.995   0.243
  153   2HG2  VAL  19          2HG2      VAL  19  -1.515  -2.498  -0.433
  154   3HG2  VAL  19          3HG2      VAL  19  -2.007  -1.151  -1.513
  155    H    THR  20           H        THR  20  -5.808  -3.035   1.488
  156    HA   THR  20           HA       THR  20  -8.196  -3.090  -0.132
  157    HB   THR  20           HB       THR  20  -6.685  -4.589   1.837
  158    HG1  THR  20           HG1      THR  20  -6.575  -5.239  -0.134
  159   1HG2  THR  20          1HG2      THR  20  -8.464  -4.617   3.299
  160   2HG2  THR  20          2HG2      THR  20  -9.523  -5.299   2.021
  161   3HG2  THR  20          3HG2      THR  20  -8.086  -6.190   2.614
  162    H    THR  21           H        THR  21  -7.246  -1.431   2.949
  163    HA   THR  21           HA       THR  21  -9.921  -0.599   3.590
  164    HB   THR  21           HB       THR  21  -7.089  -0.038   4.315
  165    HG1  THR  21           HG1      THR  21  -9.349  -0.655   5.933
  166   1HG2  THR  21          1HG2      THR  21  -7.877   2.281   4.147
  167   2HG2  THR  21          2HG2      THR  21  -9.213   1.960   5.224
  168   3HG2  THR  21          3HG2      THR  21  -7.584   1.801   5.829
  169    H    ILE  22           H        ILE  22  -7.444   0.405   1.315
  170    HA   ILE  22           HA       ILE  22  -8.519   2.993   0.796
  171    HB   ILE  22           HB       ILE  22  -6.543   1.560  -1.008
  172   1HG1  ILE  22          1HG1      ILE  22  -6.202   2.598   1.758
  173   2HG1  ILE  22          2HG1      ILE  22  -5.345   1.346   0.850
  174   1HG2  ILE  22          1HG2      ILE  22  -7.653   3.626  -1.869
  175   2HG2  ILE  22          2HG2      ILE  22  -6.926   4.528  -0.531
  176   3HG2  ILE  22          3HG2      ILE  22  -5.908   3.728  -1.745
  177   1HD1  ILE  22          1HD1      ILE  22  -4.137   3.111  -0.376
  178   2HD1  ILE  22          2HD1      ILE  22  -4.959   4.298   0.692
  179   3HD1  ILE  22          3HD1      ILE  22  -3.861   3.070   1.386
  180    H    CYS  23           H        CYS  23  -8.137   0.029  -1.121
  181    HA   CYS  23           HA       CYS  23 -10.202   0.608  -2.981
  182   1HB   CYS  23          1HB       CYS  23  -8.572  -1.398  -3.185
  183   2HB   CYS  23          2HB       CYS  23  -9.609  -2.240  -2.020
  184    H    ASN  24           H        ASN  24 -10.368   0.167   0.486
  185    HA   ASN  24           HA       ASN  24 -13.364  -0.374   0.057
  186   1HB   ASN  24          1HB       ASN  24 -12.334  -2.134   1.299
  187   2HB   ASN  24          2HB       ASN  24 -11.936  -1.029   2.606
  188   2HD2  ASN  24          2HD2      ASN  24 -13.604  -1.248   4.379
  189   1HD2  ASN  24          1HD2      ASN  24 -15.233  -1.602   3.924
  190    H    ALA  25           H        ALA  25 -11.367   2.247   1.036
  191    HA   ALA  25           HA       ALA  25 -11.871   4.371   1.880
  192   1HB   ALA  25          1HB       ALA  25 -14.720   3.704   0.915
  193   2HB   ALA  25          3HB       ALA  25 -14.031   5.311   1.188
  194   3HB   ALA  25          2HB       ALA  25 -13.435   4.293  -0.153
  195    H    ASP  26           H        ASP  26 -12.023   2.046   3.362
  196    HA   ASP  26           HA       ASP  26 -13.861   1.633   5.446
  197   1HB   ASP  26          1HB       ASP  26 -12.381   0.323   4.163
  198   2HB   ASP  26          2HB       ASP  26 -10.994   1.059   4.933
  199    H    THR  27           H        THR  27 -13.012   4.013   5.198
  200    HA   THR  27           HA       THR  27 -11.098   5.034   7.227
  201    HB   THR  27           HB       THR  27 -10.756   6.772   5.696
  202    HG1  THR  27           HG1      THR  27 -12.903   5.712   4.239
  203   1HG2  THR  27          1HG2      THR  27  -9.730   4.442   5.511
  204   2HG2  THR  27          2HG2      THR  27 -10.633   4.365   3.976
  205   3HG2  THR  27          3HG2      THR  27  -9.434   5.653   4.282
  206    H    SER  28           H        SER  28 -11.275   7.604   7.383
  207    HA   SER  28           HA       SER  28 -13.470   8.183   9.019
  208   1HB   SER  28          1HB       SER  28 -12.671  10.577   8.599
  209   2HB   SER  28          2HB       SER  28 -11.468   9.457   9.270
  210    HG   SER  28           HG       SER  28 -10.748  10.821   7.536
  211    H    SER  29           H        SER  29 -12.863   8.314   5.732
  212    HA   SER  29           HA       SER  29 -14.919   8.695   4.189
  213   1HB   SER  29          1HB       SER  29 -15.990  10.869   4.277
  214   2HB   SER  29          2HB       SER  29 -16.404   9.899   5.690
  215    HG   SER  29           HG       SER  29 -14.357  11.855   5.623
  216    H    GLU  30           H        GLU  30 -13.052   8.499   3.035
  217    HA   GLU  30           HA       GLU  30 -12.051   9.066   1.411
  218   1HB   GLU  30          1HB       GLU  30 -14.174  10.450   1.162
  219   2HB   GLU  30          2HB       GLU  30 -13.210  11.881   1.531
  220   1HG   GLU  30          1HG       GLU  30 -11.925  11.571  -0.553
  221   2HG   GLU  30          2HG       GLU  30 -12.784  10.057  -0.874
  222    H    GLU  31           H        GLU  31 -11.225  10.753   3.972
  223    HA   GLU  31           HA       GLU  31  -8.996  12.224   3.284
  224   1HB   GLU  31          1HB       GLU  31 -10.976  12.608   4.680
  225   2HB   GLU  31          2HB       GLU  31 -10.275  11.423   5.462
  226   1HG   GLU  31          1HG       GLU  31  -8.165  12.700   5.826
  227   2HG   GLU  31          2HG       GLU  31  -9.128  14.100   5.277
  228    H    GLU  32           H        GLU  32  -9.569  10.106   5.584
  229    HA   GLU  32           HA       GLU  32  -7.086   8.815   6.259
  230   1HB   GLU  32          1HB       GLU  32  -9.745   8.134   6.271
  231   2HB   GLU  32          2HB       GLU  32  -8.589   6.723   6.226
  232   1HG   GLU  32          1HG       GLU  32  -8.604   9.130   7.992
  233   2HG   GLU  32          2HG       GLU  32  -9.366   7.633   8.440
  234    H    LEU  33           H        LEU  33  -9.264   8.601   3.350
  235    HA   LEU  33           HA       LEU  33  -7.791   6.456   2.185
  236   1HB   LEU  33          1HB       LEU  33  -9.729   8.526   1.191
  237   2HB   LEU  33          2HB       LEU  33  -8.869   7.579  -0.008
  238    HG   LEU  33           HG       LEU  33 -10.111   6.207   2.400
  239   1HD1  LEU  33          1HD1      LEU  33 -11.492   7.576   0.070
  240   2HD1  LEU  33          2HD1      LEU  33 -11.896   5.911   0.204
  241   3HD1  LEU  33          3HD1      LEU  33 -12.199   6.949   1.606
  242   1HD2  LEU  33          1HD2      LEU  33  -8.533   5.039   0.905
  243   2HD2  LEU  33          2HD2      LEU  33 -10.149   4.357   0.736
  244   3HD2  LEU  33          3HD2      LEU  33  -9.522   5.428  -0.512
  245    H    VAL  34           H        VAL  34  -7.623   9.965   1.568
  246    HA   VAL  34           HA       VAL  34  -5.444   9.933  -0.280
  247    HB   VAL  34           HB       VAL  34  -6.553  11.888   1.513
  248   1HG1  VAL  34          1HG1      VAL  34  -4.314  12.393  -0.482
  249   2HG1  VAL  34          2HG1      VAL  34  -5.267  13.682   0.289
  250   3HG1  VAL  34          3HG1      VAL  34  -4.234  12.646   1.275
  251   1HG2  VAL  34          1HG2      VAL  34  -7.927  11.258  -0.400
  252   2HG2  VAL  34          2HG2      VAL  34  -7.389  12.935  -0.542
  253   3HG2  VAL  34          3HG2      VAL  34  -6.582  11.659  -1.494
  254    H    LYS  35           H        LYS  35  -5.747   9.451   3.111
  255    HA   LYS  35           HA       LYS  35  -2.953  10.135   3.830
  256   1HB   LYS  35          1HB       LYS  35  -4.400  10.984   5.326
  257   2HB   LYS  35          2HB       LYS  35  -5.477   9.595   5.232
  258   1HG   LYS  35          1HG       LYS  35  -3.886   8.183   6.240
  259   2HG   LYS  35          2HG       LYS  35  -2.732   9.517   6.461
  260   1HD   LYS  35          1HD       LYS  35  -4.279  10.707   7.797
  261   2HD   LYS  35          2HD       LYS  35  -5.519   9.455   7.544
  262   1HE   LYS  35          1HE       LYS  35  -2.834   9.006   8.936
  263   2HE   LYS  35          2HE       LYS  35  -4.389   9.248   9.773
  264   1HZ   LYS  35          1HZ       LYS  35  -3.935   7.027   7.881
  265   2HZ   LYS  35          2HZ       LYS  35  -3.810   6.895   9.523
  266   3HZ   LYS  35          3HZ       LYS  35  -5.244   7.306   8.819
  267    H    LEU  36           H        LEU  36  -5.088   7.075   3.524
  268    HA   LEU  36           HA       LEU  36  -3.013   5.340   4.200
  269   1HB   LEU  36          1HB       LEU  36  -5.767   5.522   2.845
  270   2HB   LEU  36          2HB       LEU  36  -4.995   4.008   2.990
  271    HG   LEU  36           HG       LEU  36  -6.581   5.140   4.743
  272   1HD1  LEU  36          1HD1      LEU  36  -5.803   2.679   4.464
  273   2HD1  LEU  36          2HD1      LEU  36  -4.353   3.135   5.353
  274   3HD1  LEU  36          3HD1      LEU  36  -5.921   3.140   6.188
  275   1HD2  LEU  36          1HD2      LEU  36  -3.917   5.517   6.082
  276   2HD2  LEU  36          2HD2      LEU  36  -5.337   6.573   6.061
  277   3HD2  LEU  36          3HD2      LEU  36  -5.369   5.106   6.994
  278    H    VAL  37           H        VAL  37  -4.142   6.969   1.272
  279    HA   VAL  37           HA       VAL  37  -2.562   5.530  -0.611
  280    HB   VAL  37           HB       VAL  37  -3.909   8.220  -0.441
  281   1HG1  VAL  37          1HG1      VAL  37  -2.217   7.550  -2.845
  282   2HG1  VAL  37          2HG1      VAL  37  -3.404   8.870  -2.714
  283   3HG1  VAL  37          3HG1      VAL  37  -1.956   8.894  -1.712
  284   1HG2  VAL  37          1HG2      VAL  37  -5.165   6.137  -1.009
  285   2HG2  VAL  37          2HG2      VAL  37  -5.268   7.421  -2.229
  286   3HG2  VAL  37          3HG2      VAL  37  -4.193   6.015  -2.489
  287    H    THR  38           H        THR  38  -1.978   8.484   1.248
  288    HA   THR  38           HA       THR  38   0.529   9.126   0.064
  289    HB   THR  38           HB       THR  38  -0.785  10.074   2.155
  290    HG1  THR  38           HG1      THR  38  -1.860  10.680   0.481
  291   1HG2  THR  38          1HG2      THR  38   1.541  10.714   2.625
  292   2HG2  THR  38          2HG2      THR  38   1.741  11.212   0.936
  293   3HG2  THR  38          3HG2      THR  38   0.722  12.173   2.037
  294    H    HIS  39           H        HIS  39  -0.501   7.492   2.988
  295    HA   HIS  39           HA       HIS  39   2.056   7.027   4.171
  296   1HB   HIS  39          1HB       HIS  39   0.043   6.776   5.466
  297   2HB   HIS  39          2HB       HIS  39  -0.556   5.701   4.242
  298    HD1  HIS  39           HD1      HIS  39   2.074   5.517   7.098
  299    HD2  HIS  39           HD2      HIS  39   0.073   3.201   4.221
  300    HE1  HIS  39           HE1      HIS  39   2.296   3.096   7.840
  301    H    PHE  40           H        PHE  40   0.049   5.207   1.778
  302    HA   PHE  40           HA       PHE  40   1.908   2.965   1.598
  303   1HB   PHE  40          1HB       PHE  40  -0.392   2.914   0.614
  304   2HB   PHE  40          2HB       PHE  40   0.120   4.033  -0.630
  305    HD1  PHE  40           HD1      PHE  40   2.519   3.157  -1.929
  306    HD2  PHE  40           HD2      PHE  40  -0.515   0.700  -0.086
  307    HE1  PHE  40           HE1      PHE  40   3.101   1.382  -3.370
  308    HE2  PHE  40           HE2      PHE  40   0.151  -1.157  -1.591
  309    HZ   PHE  40           HZ       PHE  40   1.943  -0.852  -3.246
  310    H    GLU  41           H        GLU  41   1.476   5.821  -0.353
  311    HA   GLU  41           HA       GLU  41   3.402   5.923  -2.127
  312   1HB   GLU  41          1HB       GLU  41   2.456   8.242  -0.902
  313   2HB   GLU  41          2HB       GLU  41   3.418   8.084  -2.367
  314   1HG   GLU  41          1HG       GLU  41   0.738   7.718  -1.929
  315   2HG   GLU  41          2HG       GLU  41   1.581   7.747  -3.514
  316    H    GLU  42           H        GLU  42   3.753   6.688   1.241
  317    HA   GLU  42           HA       GLU  42   6.407   7.635   1.281
  318   1HB   GLU  42          1HB       GLU  42   4.568   8.322   2.762
  319   2HB   GLU  42          2HB       GLU  42   4.825   6.745   3.261
  320   1HG   GLU  42          1HG       GLU  42   6.456   9.092   3.914
  321   2HG   GLU  42          2HG       GLU  42   5.758   7.893   4.991
  322    H    MET  43           H        MET  43   4.772   5.009   2.646
  323    HA   MET  43           HA       MET  43   6.591   3.726   3.997
  324   1HB   MET  43          1HB       MET  43   4.002   2.935   2.716
  325   2HB   MET  43          2HB       MET  43   4.882   1.710   3.499
  326   1HG   MET  43          1HG       MET  43   3.109   3.143   4.713
  327   2HG   MET  43          2HG       MET  43   4.468   2.449   5.585
  328   1HE   MET  43          1HE       MET  43   6.604   3.740   6.126
  329   2HE   MET  43          2HE       MET  43   6.359   5.251   7.019
  330   3HE   MET  43          3HE       MET  43   5.426   3.792   7.462
  331    H    THR  44           H        THR  44   5.694   2.859   0.716
  332    HA   THR  44           HA       THR  44   7.522   0.579   0.925
  333    HB   THR  44           HB       THR  44   5.392   0.049   0.112
  334    HG1  THR  44           HG1      THR  44   7.308   0.144  -1.928
  335   1HG2  THR  44          1HG2      THR  44   5.704   2.520  -1.528
  336   2HG2  THR  44          2HG2      THR  44   4.924   1.130  -2.316
  337   3HG2  THR  44          3HG2      THR  44   4.302   1.757  -0.787
  338    H    GLU  45           H        GLU  45   8.152   3.754   0.260
  339    HA   GLU  45           HA       GLU  45   9.864   4.796  -0.849
  340   1HB   GLU  45          1HB       GLU  45  11.113   2.123  -0.833
  341   2HB   GLU  45          2HB       GLU  45  11.979   3.646  -0.826
  342   1HG   GLU  45          1HG       GLU  45  11.732   3.854   1.500
  343   2HG   GLU  45          2HG       GLU  45  10.312   2.788   1.565
  344    H    HIS  46           H        HIS  46   7.760   3.855  -2.571
  345    HA   HIS  46           HA       HIS  46   9.069   2.165  -4.583
  346   1HB   HIS  46          1HB       HIS  46   7.200   1.206  -3.403
  347   2HB   HIS  46          2HB       HIS  46   6.155   2.556  -3.872
  348    HD1  HIS  46           HD1      HIS  46   5.140   2.481  -6.317
  349    HD2  HIS  46           HD2      HIS  46   7.757  -0.698  -5.401
  350    HE1  HIS  46           HE1      HIS  46   5.153   0.849  -8.314
  351    HA   PRO  47           HA       PRO  47   8.894   5.016  -8.057
  352   1HB   PRO  47          2HB       PRO  47   7.591   2.589  -9.339
  353   2HB   PRO  47          1HB       PRO  47   8.869   3.658  -9.969
  354   1HG   PRO  47          1HG       PRO  47   9.340   1.161  -8.667
  355   2HG   PRO  47          2HG       PRO  47  10.483   2.513  -8.663
  356   1HD   PRO  47          1HD       PRO  47   8.726   1.371  -6.709
  357   2HD   PRO  47          2HD       PRO  47  10.205   2.275  -6.495
  358    H    SER  48           H        SER  48   6.094   2.937  -8.140
  359    HA   SER  48           HA       SER  48   4.565   5.054  -9.403
  360   1HB   SER  48          1HB       SER  48   4.851   2.139  -9.710
  361   2HB   SER  48          2HB       SER  48   3.394   2.907 -10.283
  362    HG   SER  48           HG       SER  48   4.635   4.335 -11.442
  363    H    GLY  49           H        GLY  49   4.435   5.256  -6.765
  364   1HA   GLY  49          2HA       GLY  49   2.788   6.114  -5.266
  365   2HA   GLY  49          1HA       GLY  49   2.486   4.389  -5.159
  366    H    SER  50           H        SER  50   1.605   7.040  -7.498
  367    HA   SER  50           HA       SER  50  -1.227   6.636  -6.878
  368   1HB   SER  50          1HB       SER  50  -0.111   8.857  -7.435
  369   2HB   SER  50          2HB       SER  50   0.029   8.280  -9.108
  370    HG   SER  50           HG       SER  50  -2.271   7.943  -8.998
  371    H    ASP  51           H        ASP  51   0.747   4.473  -8.491
  372    HA   ASP  51           HA       ASP  51  -0.748   4.104 -10.882
  373   1HB   ASP  51          1HB       ASP  51   1.908   3.552 -11.452
  374   2HB   ASP  51          2HB       ASP  51   0.899   4.762 -12.109
  375    H    LEU  52           H        LEU  52   0.504   2.847  -7.747
  376    HA   LEU  52           HA       LEU  52  -0.370   0.419  -9.055
  377   1HB   LEU  52          1HB       LEU  52   0.696  -0.618  -6.869
  378   2HB   LEU  52          2HB       LEU  52   1.589  -0.426  -8.327
  379    HG   LEU  52           HG       LEU  52   2.883   1.357  -7.538
  380   1HD1  LEU  52          1HD1      LEU  52   1.238   1.207  -4.978
  381   2HD1  LEU  52          2HD1      LEU  52   2.698   2.221  -5.267
  382   3HD1  LEU  52          3HD1      LEU  52   1.198   2.537  -6.109
  383   1HD2  LEU  52          1HD2      LEU  52   2.337  -0.791  -5.510
  384   2HD2  LEU  52          2HD2      LEU  52   3.454  -0.854  -6.915
  385   3HD2  LEU  52          3HD2      LEU  52   3.760   0.275  -5.545
  386    H    ILE  53           H        ILE  53  -1.666   3.003  -7.884
  387    HA   ILE  53           HA       ILE  53  -3.182   1.408  -6.074
  388    HB   ILE  53           HB       ILE  53  -2.471   4.266  -5.748
  389   1HG1  ILE  53          1HG1      ILE  53  -0.858   2.419  -4.899
  390   2HG1  ILE  53          2HG1      ILE  53  -1.645   3.315  -3.624
  391   1HG2  ILE  53          1HG2      ILE  53  -4.575   2.502  -4.412
  392   2HG2  ILE  53          2HG2      ILE  53  -4.026   4.111  -3.820
  393   3HG2  ILE  53          3HG2      ILE  53  -4.830   3.919  -5.397
  394   1HD1  ILE  53          1HD1      ILE  53  -2.620   0.687  -4.413
  395   2HD1  ILE  53          2HD1      ILE  53  -1.294   1.023  -3.310
  396   3HD1  ILE  53          3HD1      ILE  53  -2.960   1.696  -2.997
  397    H    TYR  54           H        TYR  54  -3.245   4.063  -8.620
  398    HA   TYR  54           HA       TYR  54  -5.722   2.766  -9.582
  399   1HB   TYR  54          1HB       TYR  54  -5.871   5.704  -9.461
  400   2HB   TYR  54          2HB       TYR  54  -7.123   4.475  -9.432
  401    HD1  TYR  54           HD1      TYR  54  -7.481   3.177  -7.144
  402    HD2  TYR  54           HD2      TYR  54  -4.931   6.627  -7.410
  403    HE1  TYR  54           HE1      TYR  54  -8.092   3.774  -4.829
  404    HE2  TYR  54           HE2      TYR  54  -5.176   6.930  -4.960
  405    HH   TYR  54           HH       TYR  54  -6.308   6.230  -3.039
  406    H    TYR  55           H        TYR  55  -2.858   4.559 -10.608
  407    HA   TYR  55           HA       TYR  55  -4.014   4.654 -13.331
  408   1HB   TYR  55          1HB       TYR  55  -1.214   5.402 -12.553
  409   2HB   TYR  55          2HB       TYR  55  -2.058   5.780 -14.035
  410    HD1  TYR  55           HD1      TYR  55  -4.742   6.728 -12.752
  411    HD2  TYR  55           HD2      TYR  55  -0.593   7.575 -11.903
  412    HE1  TYR  55           HE1      TYR  55  -5.389   8.899 -11.758
  413    HE2  TYR  55           HE2      TYR  55  -1.227   9.752 -10.947
  414    HH   TYR  55           HH       TYR  55  -3.130  10.805  -9.923
  415    HA   PRO  56           HA       PRO  56  -1.443   0.770 -14.157
  416   1HB   PRO  56          1HB       PRO  56  -1.892  -1.317 -12.517
  417   2HB   PRO  56          2HB       PRO  56  -0.693  -0.097 -12.052
  418   1HG   PRO  56          1HG       PRO  56  -3.634  -0.175 -11.268
  419   2HG   PRO  56          2HG       PRO  56  -2.244  -0.061 -10.141
  420   1HD   PRO  56          1HD       PRO  56  -3.809   1.898 -11.126
  421   2HD   PRO  56          2HD       PRO  56  -2.126   2.223 -10.620
  422    H    LYS  57           H        LYS  57  -2.800  -1.591 -14.488
  423    HA   LYS  57           HA       LYS  57  -4.973  -2.645 -13.849
  424   1HB   LYS  57          1HB       LYS  57  -6.030  -0.575 -13.406
  425   2HB   LYS  57          2HB       LYS  57  -6.058  -0.240 -15.146
  426   1HG   LYS  57          1HG       LYS  57  -7.574  -2.128 -15.574
  427   2HG   LYS  57          2HG       LYS  57  -7.379  -2.682 -13.902
  428   1HD   LYS  57          1HD       LYS  57  -9.292  -1.555 -13.695
  429   2HD   LYS  57          2HD       LYS  57  -8.161  -0.277 -13.282
  430   1HE   LYS  57          2HE       LYS  57  -9.780  -0.658 -15.839
  431   2HE   LYS  57          1HE       LYS  57  -9.737   0.759 -14.772
  432   1HZ   LYS  57          1HZ       LYS  57  -7.373   1.036 -15.623
  433   2HZ   LYS  57          2HZ       LYS  57  -7.702  -0.131 -16.725
  434   3HZ   LYS  57          3HZ       LYS  57  -8.500   1.226 -16.822
  435    H    GLU  58           H        GLU  58  -3.622  -1.105 -16.433
  436    HA   GLU  58           HA       GLU  58  -5.350  -2.248 -18.269
  437   1HB   GLU  58          1HB       GLU  58  -4.319   0.059 -17.957
  438   2HB   GLU  58          2HB       GLU  58  -3.358  -0.653 -19.333
  439   1HG   GLU  58          1HG       GLU  58  -5.173   0.352 -20.401
  440   2HG   GLU  58          2HG       GLU  58  -5.659  -1.354 -20.224
  441    H    GLY  59           H        GLY  59  -3.446  -3.667 -17.472
  442   1HA   GLY  59          2HA       GLY  59  -1.686  -4.517 -19.466
  443   2HA   GLY  59          1HA       GLY  59  -2.896  -5.821 -19.223
  444    H    ASP  60           H        ASP  60  -2.793  -4.116 -16.384
  445    HA   ASP  60           HA       ASP  60  -0.402  -5.383 -15.152
  446   1HB   ASP  60          1HB       ASP  60  -1.281  -2.484 -15.340
  447   2HB   ASP  60          2HB       ASP  60  -0.158  -3.028 -14.108
  448    H    ASP  61           H        ASP  61  -0.959  -6.451 -13.607
  449    HA   ASP  61           HA       ASP  61  -3.535  -6.635 -12.646
  450   1HB   ASP  61          1HB       ASP  61  -2.396  -8.600 -12.649
  451   2HB   ASP  61          2HB       ASP  61  -1.256  -7.839 -11.571
  452    H    ASP  62           H        ASP  62  -4.356  -4.782 -11.753
  453    HA   ASP  62           HA       ASP  62  -3.082  -3.442  -9.406
  454   1HB   ASP  62          1HB       ASP  62  -4.528  -1.673 -10.119
  455   2HB   ASP  62          2HB       ASP  62  -3.865  -2.324 -11.643
  456    H    SER  63           H        SER  63  -5.124  -6.079  -9.857
  457    HA   SER  63           HA       SER  63  -7.477  -5.443  -8.427
  458   1HB   SER  63          1HB       SER  63  -5.881  -7.944  -7.827
  459   2HB   SER  63          2HB       SER  63  -7.629  -7.747  -7.827
  460    HG   SER  63           HG       SER  63  -5.832  -7.937 -10.025
  461    HA   PRO  64           HA       PRO  64  -6.091  -3.810  -4.628
  462   1HB   PRO  64          2HB       PRO  64  -7.797  -5.862  -3.196
  463   2HB   PRO  64          1HB       PRO  64  -7.530  -4.139  -2.851
  464   1HG   PRO  64          1HG       PRO  64  -9.711  -4.810  -4.309
  465   2HG   PRO  64          2HG       PRO  64  -8.636  -3.525  -4.994
  466   1HD   PRO  64          1HD       PRO  64  -8.509  -6.494  -5.455
  467   2HD   PRO  64          2HD       PRO  64  -8.663  -5.250  -6.737
  468    H    SER  65           H        SER  65  -5.495  -6.875  -5.088
  469    HA   SER  65           HA       SER  65  -3.300  -7.412  -3.290
  470   1HB   SER  65          1HB       SER  65  -3.734  -9.670  -4.326
  471   2HB   SER  65          2HB       SER  65  -5.048  -9.021  -3.283
  472    HG   SER  65           HG       SER  65  -4.970  -9.353  -6.097
  473    H    GLY  66           H        GLY  66  -3.803  -7.331  -6.741
  474   1HA   GLY  66          2HA       GLY  66  -2.679  -7.238  -8.420
  475   2HA   GLY  66          1HA       GLY  66  -1.386  -8.192  -7.727
  476    H    ILE  67           H        ILE  67  -2.926  -5.010  -6.802
  477    HA   ILE  67           HA       ILE  67  -0.619  -3.653  -7.564
  478    HB   ILE  67           HB       ILE  67  -1.431  -1.872  -5.843
  479   1HG1  ILE  67          1HG1      ILE  67  -3.586  -3.902  -5.451
  480   2HG1  ILE  67          2HG1      ILE  67  -2.632  -2.958  -4.435
  481   1HG2  ILE  67          1HG2      ILE  67  -1.878  -1.929  -8.380
  482   2HG2  ILE  67          2HG2      ILE  67  -3.532  -2.431  -7.834
  483   3HG2  ILE  67          3HG2      ILE  67  -2.931  -0.896  -7.370
  484   1HD1  ILE  67          1HD1      ILE  67  -3.906  -0.876  -5.111
  485   2HD1  ILE  67          2HD1      ILE  67  -4.921  -1.886  -6.160
  486   3HD1  ILE  67          3HD1      ILE  67  -4.981  -2.091  -4.431
  487    H    VAL  68           H        VAL  68  -1.492  -4.925  -4.533
  488    HA   VAL  68           HA       VAL  68   0.807  -3.770  -3.089
  489    HB   VAL  68           HB       VAL  68  -0.735  -6.305  -2.452
  490   1HG1  VAL  68          1HG1      VAL  68   1.324  -5.247  -1.046
  491   2HG1  VAL  68          2HG1      VAL  68   0.171  -4.006  -0.616
  492   3HG1  VAL  68          3HG1      VAL  68  -0.168  -5.671  -0.130
  493   1HG2  VAL  68          1HG2      VAL  68  -1.635  -3.497  -2.331
  494   2HG2  VAL  68          2HG2      VAL  68  -2.489  -4.953  -2.864
  495   3HG2  VAL  68          3HG2      VAL  68  -2.241  -4.668  -1.142
  496    H    ASN  69           H        ASN  69  -0.035  -6.375  -5.048
  497    HA   ASN  69           HA       ASN  69   2.273  -8.111  -5.063
  498   1HB   ASN  69          1HB       ASN  69  -0.010  -8.202  -6.215
  499   2HB   ASN  69          2HB       ASN  69   1.196  -8.043  -7.516
  500   2HD2  ASN  69          2HD2      ASN  69  -0.563 -10.319  -6.091
  501   1HD2  ASN  69          1HD2      ASN  69   0.622 -11.616  -5.915
  502    H    THR  70           H        THR  70   1.446  -5.127  -6.809
  503    HA   THR  70           HA       THR  70   3.482  -5.525  -8.576
  504    HB   THR  70           HB       THR  70   2.080  -2.980  -7.657
  505    HG1  THR  70           HG1      THR  70   0.838  -4.723  -8.797
  506   1HG2  THR  70          1HG2      THR  70   3.753  -3.255 -10.176
  507   2HG2  THR  70          2HG2      THR  70   2.677  -1.898  -9.791
  508   3HG2  THR  70          3HG2      THR  70   4.093  -2.202  -8.778
  509    H    VAL  71           H        VAL  71   3.081  -3.980  -5.531
  510    HA   VAL  71           HA       VAL  71   5.747  -2.944  -5.165
  511    HB   VAL  71           HB       VAL  71   3.361  -3.141  -3.318
  512   1HG1  VAL  71          1HG1      VAL  71   5.892  -4.046  -2.126
  513   2HG1  VAL  71          2HG1      VAL  71   4.751  -2.973  -1.301
  514   3HG1  VAL  71          3HG1      VAL  71   4.207  -4.550  -1.857
  515   1HG2  VAL  71          1HG2      VAL  71   4.508  -1.335  -4.457
  516   2HG2  VAL  71          2HG2      VAL  71   4.369  -1.159  -2.683
  517   3HG2  VAL  71          3HG2      VAL  71   5.926  -1.667  -3.458
  518    H    LYS  72           H        LYS  72   4.171  -5.851  -4.397
  519    HA   LYS  72           HA       LYS  72   6.321  -7.078  -3.115
  520   1HB   LYS  72          1HB       LYS  72   3.821  -7.977  -4.055
  521   2HB   LYS  72          2HB       LYS  72   4.943  -9.254  -4.515
  522   1HG   LYS  72          1HG       LYS  72   4.493  -9.659  -2.153
  523   2HG   LYS  72          2HG       LYS  72   5.981  -8.740  -2.126
  524   1HD   LYS  72          2HD       LYS  72   4.873  -7.342  -0.925
  525   2HD   LYS  72          1HD       LYS  72   4.180  -6.666  -2.257
  526   1HE   LYS  72          1HE       LYS  72   2.181  -7.745  -2.473
  527   2HE   LYS  72          2HE       LYS  72   2.708  -9.155  -1.565
  528   1HZ   LYS  72          1HZ       LYS  72   2.236  -6.709  -0.082
  529   2HZ   LYS  72          2HZ       LYS  72   0.987  -7.720  -0.517
  530   3HZ   LYS  72          3HZ       LYS  72   2.233  -8.311   0.343
  531    H    GLN  73           H        GLN  73   6.322  -6.451  -6.109
  532    HA   GLN  73           HA       GLN  73   8.236  -8.243  -7.050
  533   1HB   GLN  73          1HB       GLN  73   6.169  -6.659  -8.580
  534   2HB   GLN  73          2HB       GLN  73   7.406  -7.689  -9.357
  535   1HG   GLN  73          1HG       GLN  73   6.719  -9.514  -7.748
  536   2HG   GLN  73          2HG       GLN  73   5.468  -8.627  -7.185
  537   2HE2  GLN  73          2HE2      GLN  73   3.553  -8.713  -8.065
  538   1HE2  GLN  73          1HE2      GLN  73   3.144  -9.402  -9.641
  539    H    TRP  74           H        TRP  74   7.499  -4.786  -7.067
  540    HA   TRP  74           HA       TRP  74  10.106  -3.792  -7.782
  541   1HB   TRP  74          1HB       TRP  74   8.020  -2.498  -7.776
  542   2HB   TRP  74          2HB       TRP  74   8.338  -2.425  -6.034
  543    HD1  TRP  74           HD1      TRP  74   9.786  -1.521  -9.410
  544    HE1  TRP  74           HE1      TRP  74  11.860  -0.040  -9.283
  545    HE3  TRP  74           HE3      TRP  74   9.896  -0.945  -4.394
  546    HZ2  TRP  74           HZ2      TRP  74  13.204   1.479  -7.239
  547    HZ3  TRP  74           HZ3      TRP  74  11.348   0.751  -3.449
  548    HH2  TRP  74           HH2      TRP  74  13.024   1.988  -4.811
  549    H    ARG  75           H        ARG  75   8.532  -3.969  -4.593
  550    HA   ARG  75           HA       ARG  75  10.924  -3.913  -3.098
  551   1HB   ARG  75          1HB       ARG  75   8.068  -5.055  -2.417
  552   2HB   ARG  75          2HB       ARG  75   9.259  -4.984  -1.228
  553   1HG   ARG  75          1HG       ARG  75   9.235  -2.315  -1.727
  554   2HG   ARG  75          2HG       ARG  75   7.684  -2.730  -2.389
  555   1HD   ARG  75          1HD       ARG  75   7.234  -2.211  -0.117
  556   2HD   ARG  75          2HD       ARG  75   7.259  -3.967  -0.152
  557    HE   ARG  75           HE       ARG  75   8.877  -3.898   1.423
  558   1HH1  ARG  75          1HH1      ARG  75   8.983  -0.624  -0.135
  559   2HH1  ARG  75          2HH1      ARG  75  10.169  -0.104   1.028
  560   1HH2  ARG  75          1HH2      ARG  75  10.377  -3.016   2.874
  561   2HH2  ARG  75          2HH2      ARG  75  10.912  -1.351   2.648
  562    H    ALA  76           H        ALA  76   9.954  -6.325  -4.972
  563    HA   ALA  76           HA       ALA  76  11.554  -8.213  -3.350
  564   1HB   ALA  76          1HB       ALA  76   9.690  -8.967  -5.590
  565   2HB   ALA  76          3HB       ALA  76  10.715 -10.119  -4.730
  566   3HB   ALA  76          2HB       ALA  76   9.454  -9.265  -3.831
  567    H    ALA  77           H        ALA  77  11.474  -6.672  -6.263
  568    HA   ALA  77           HA       ALA  77  13.811  -8.150  -7.303
  569   1HB   ALA  77          1HB       ALA  77  11.989  -7.421  -8.910
  570   2HB   ALA  77          3HB       ALA  77  12.277  -5.733  -8.448
  571   3HB   ALA  77          2HB       ALA  77  13.528  -6.622  -9.330
  572    H    ASN  78           H        ASN  78  12.953  -5.013  -6.247
  573    HA   ASN  78           HA       ASN  78  15.635  -4.041  -5.944
  574   1HB   ASN  78          1HB       ASN  78  13.165  -2.865  -6.198
  575   2HB   ASN  78          2HB       ASN  78  13.128  -3.123  -4.532
  576   2HD2  ASN  78          2HD2      ASN  78  15.638  -2.426  -3.493
  577   1HD2  ASN  78          1HD2      ASN  78  16.168  -0.864  -4.112
  578    H    GLY  79           H        GLY  79  13.651  -6.106  -4.556
  579   1HA   GLY  79          2HA       GLY  79  15.546  -7.010  -2.559
  580   2HA   GLY  79          1HA       GLY  79  13.908  -7.656  -2.743
  581    H    LYS  80           H        LYS  80  12.964  -4.782  -2.504
  582    HA   LYS  80           HA       LYS  80  13.705  -3.319  -0.348
  583   1HB   LYS  80          1HB       LYS  80  10.888  -3.567  -0.663
  584   2HB   LYS  80          2HB       LYS  80  11.837  -2.284   0.116
  585   1HG   LYS  80          1HG       LYS  80  12.506  -3.048  -2.633
  586   2HG   LYS  80          2HG       LYS  80  11.140  -2.101  -2.459
  587   1HD   LYS  80          1HD       LYS  80  13.665  -1.638  -1.728
  588   2HD   LYS  80          2HD       LYS  80  12.959  -1.256  -3.218
  589   1HE   LYS  80          1HE       LYS  80  11.320   0.184  -1.873
  590   2HE   LYS  80          2HE       LYS  80  12.109  -0.223  -0.537
  591   1HZ   LYS  80          1HZ       LYS  80  13.995   0.999  -2.282
  592   2HZ   LYS  80          2HZ       LYS  80  12.684   1.970  -1.971
  593   3HZ   LYS  80          3HZ       LYS  80  13.559   1.411  -0.721
  594    H    SER  81           H        SER  81  11.377  -5.713  -0.359
  595    HA   SER  81           HA       SER  81  10.090  -7.058   0.946
  596   1HB   SER  81          1HB       SER  81  11.408  -8.680   2.235
  597   2HB   SER  81          2HB       SER  81  11.975  -8.446   0.595
  598    HG   SER  81           HG       SER  81  13.675  -7.193   1.339
  599    H    GLY  82           H        GLY  82  11.675  -7.251   3.444
  600   1HA   GLY  82          2HA       GLY  82  11.791  -4.964   4.825
  601   2HA   GLY  82          1HA       GLY  82  11.538  -6.518   5.715
  602    H    PHE  83           H        PHE  83   8.759  -6.444   4.466
  603    HA   PHE  83           HA       PHE  83   7.268  -4.827   6.358
  604   1HB   PHE  83          2HB       PHE  83   6.393  -7.497   5.292
  605   2HB   PHE  83          1HB       PHE  83   5.581  -6.240   6.121
  606    HD1  PHE  83           HD1      PHE  83   6.951  -6.991   2.998
  607    HD2  PHE  83           HD2      PHE  83   4.268  -4.522   5.214
  608    HE1  PHE  83           HE1      PHE  83   6.490  -5.786   0.937
  609    HE2  PHE  83           HE2      PHE  83   3.755  -3.301   3.251
  610    HZ   PHE  83           HZ       PHE  83   4.683  -3.967   0.938
  611    H    LYS  84           H        LYS  84   6.126  -7.381   7.201
  612    HA   LYS  84           HA       LYS  84   7.584  -7.672   9.617
  613   1HB   LYS  84          1HB       LYS  84   6.729  -5.575   9.686
  614   2HB   LYS  84          2HB       LYS  84   5.369  -6.078   9.140
  615   1HG   LYS  84          1HG       LYS  84   4.786  -5.597  11.299
  616   2HG   LYS  84          2HG       LYS  84   4.812  -7.300  11.383
  617   1HD   LYS  84          2HD       LYS  84   6.633  -5.284  12.437
  618   2HD   LYS  84          1HD       LYS  84   6.066  -6.841  13.110
  619   1HE   LYS  84          1HE       LYS  84   8.346  -7.214  12.923
  620   2HE   LYS  84          2HE       LYS  84   7.720  -7.938  11.449
  621   1HZ   LYS  84          1HZ       LYS  84   8.648  -5.131  11.394
  622   2HZ   LYS  84          2HZ       LYS  84   9.776  -6.347  11.299
  623   3HZ   LYS  84          3HZ       LYS  84   8.608  -6.163  10.173
  624    H    GLN  85           H        GLN  85   4.702  -8.480  10.232
  625    HA   GLN  85           HA       GLN  85   5.767 -10.363  11.533
  626   1HB   GLN  85          1HB       GLN  85   3.324  -9.807  11.371
  627   2HB   GLN  85          2HB       GLN  85   3.563 -11.560  11.578
  628   1HG   GLN  85          1HG       GLN  85   4.809 -11.082  13.635
  629   2HG   GLN  85          2HG       GLN  85   4.691  -9.342  13.335
  630   2HE2  GLN  85          2HE2      GLN  85   1.981  -8.802  12.850
  631   1HE2  GLN  85          1HE2      GLN  85   1.082  -9.385  14.226
  632    H    GLY  86           H        GLY  86   4.272 -10.604   8.725
  633   1HA   GLY  86          2HA       GLY  86   4.630 -12.836   7.246
  634   2HA   GLY  86          1HA       GLY  86   6.247 -11.988   7.355

  No H/Q in entry =         634