*HEADER    RIBOSOMAL PROTEIN                       20-JUL-99   1QKH
*TITLE     SOLUTION STRUCTURE OF THE RIBOSOMAL PROTEIN S19 FROM
*TITLE    2 THERMUS THERMOPHILUS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 30S RIBOSOMAL PROTEIN S19;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: B834(DE3);
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PACA;
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PTTHS19
*KEYWDS    RIBOSOME, RIBOSOMAL PROTEIN, THERMUS THERMOPHILUS, S19
*EXPDTA    NMR, 21 STRUCTURES
*AUTHOR    M.HELGSTRAND,A.V.RAK,P.ALLARD,N.DAVYDOVA,M.B.GARBER,T.HARD
*REVDAT   1   21-JUL-99 1QKH    0




assign (resid   9 and name HA   ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid   9 and name HG#  ) (resid   9 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HA   ) (resid   9 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HA   ) (resid  11 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HA   ) (resid  11 and name HG#  )    0.000    0.000    5.000

assign (resid  10 and name HB1  ) (resid  10 and name HN   )    3.500    3.500    0.000

assign (resid  10 and name HB2  ) (resid  10 and name HD#  )    5.000    5.000    0.000

assign (resid  10 and name HB2  ) (resid  10 and name HE#  )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  10 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HD#  ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  11 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  12 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  13 and name HB#  )    6.000    6.000    0.000

assign (resid  10 and name HD#  ) (resid  37 and name HD#  )    6.000    6.000    0.000

assign (resid  10 and name HD#  ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  39 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HE#  ) (resid  11 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  11 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HB#  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  13 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  37 and name HD#  )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HB1  )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HB2  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  39 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HZ   ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HZ   ) (resid  10 and name HE#  )    0.000    0.000    3.500

assign (resid  10 and name HZ   ) (resid  14 and name HB#  )    5.000    5.000    0.000

assign (resid  10 and name HZ   ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  11 and name HG#  ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  11 and name HG#  ) (resid  11 and name HB   )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  10 and name HB2  )    5.000    5.000    0.000

assign (resid  11 and name HN   ) (resid  11 and name HG#  )    0.000    0.000    5.000

assign (resid  12 and name HA   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  12 and name HA   )    0.000    0.000    3.500

assign (resid  12 and name HB#  ) (resid  15 and name HD#  )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  38 and name HB1  )    5.000    5.000    0.000

assign (resid  13 and name HB#  ) (resid  13 and name HA   )    0.000    0.000    3.500

assign (resid  13 and name HB#  ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  13 and name HN   ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  12 and name HB#  )    6.000    6.000    0.000

assign (resid  14 and name HB#  ) (resid  13 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  15 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  33 and name HG2# )    6.000    6.000    0.000

assign (resid  14 and name HN   ) (resid  14 and name HB#  )    0.000    0.000    3.500

assign (resid  15 and name HB#  ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HB#  ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HD#  ) (resid  12 and name HN   )    0.000    0.000    5.000

assign (resid  15 and name HD#  ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HD#  ) (resid  15 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HD#  ) (resid  15 and name HN   )    0.000    0.000    5.000

assign (resid  15 and name HG   ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  15 and name HG   ) (resid  15 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HG   ) (resid  15 and name HD#  )    0.000    0.000    5.000

assign (resid  16 and name HA   ) (resid  19 and name HB   )    5.000    5.000    0.000

assign (resid  16 and name HB2  ) (resid  13 and name HA   )    0.000    0.000    5.000

assign (resid  16 and name HB2  ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HD#  ) (resid  16 and name HA   )    0.000    0.000    3.500

assign (resid  16 and name HG   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HG   )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HB2  )    0.000    0.000    3.500

assign (resid  17 and name HA   ) (resid  20 and name HB#  )    5.000    5.000    0.000

assign (resid  17 and name HA   ) (resid  20 and name HG   )    5.000    5.000    0.000

assign (resid  17 and name HB#  ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  17 and name HG#  ) (resid  17 and name HA   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    3.500

assign (resid  19 and name HA   ) (resid  22 and name HD#  )    5.000    5.000    0.000

assign (resid  19 and name HG#  ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HG#  ) (resid  16 and name HD#  )    6.000    6.000    0.000

assign (resid  19 and name HG#  ) (resid  19 and name HA   )    0.000    0.000    3.500

assign (resid  19 and name HG#  ) (resid  19 and name HB   )    0.000    0.000    5.000

assign (resid  19 and name HG#  ) (resid  20 and name HD#  )    6.000    6.000    0.000

assign (resid  19 and name HG#  ) (resid  44 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  15 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  15 and name HG   )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HA   ) (resid  19 and name HG#  )    5.000    5.000    0.000

assign (resid  20 and name HA   ) (resid  23 and name HB#  )    5.000    5.000    0.000

assign (resid  20 and name HB#  ) (resid  20 and name HA   )    0.000    0.000    3.500

assign (resid  20 and name HD#  ) (resid  20 and name HB#  )    5.000    5.000    0.000

assign (resid  20 and name HD#  ) (resid  20 and name HG   )    5.000    5.000    0.000

assign (resid  20 and name HG   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  20 and name HN   ) (resid  22 and name HB2  )    5.000    5.000    0.000

assign (resid  21 and name HA   ) (resid  20 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HA   ) (resid  23 and name HN   )    5.000    5.000    0.000

assign (resid  21 and name HA   ) (resid  24 and name HB#  )    5.000    5.000    0.000

assign (resid  21 and name HB#  ) (resid  21 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HG#  ) (resid  21 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HG#  ) (resid  21 and name HB#  )    5.000    5.000    0.000

assign (resid  21 and name HG#  ) (resid  24 and name HB#  )    5.000    5.000    0.000

assign (resid  22 and name HA   ) (resid  23 and name HD21 )    6.000    6.000    0.000

assign (resid  22 and name HA   ) (resid  25 and name HB#  )    5.000    5.000    0.000

assign (resid  22 and name HD#  ) (resid  22 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HA   ) (resid  24 and name HA   )    6.000    6.000    0.000

assign (resid  23 and name HB#  ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HD22 ) (resid  20 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  20 and name HN   )    5.000    5.000    0.000

assign (resid  23 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  23 and name HD21 )    0.000    0.000    5.000

assign (resid  24 and name HB#  ) (resid  24 and name HA   )    0.000    0.000    5.000

assign (resid  24 and name HN   ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  25 and name HB#  ) (resid  25 and name HA   )    5.000    5.000    0.000

assign (resid  25 and name HD#  ) (resid  25 and name HA   )    0.000    0.000    5.000

assign (resid  25 and name HD#  ) (resid  25 and name HB#  )    0.000    0.000    5.000

assign (resid  25 and name HN   ) (resid  25 and name HG#  )    3.500    3.500    0.000

assign (resid  26 and name HA#  ) (resid  23 and name HA   )    5.000    5.000    0.000

assign (resid  26 and name HA#  ) (resid  25 and name HN   )    0.000    0.000    5.000

assign (resid  26 and name HN   ) (resid  25 and name HE#  )    6.000    6.000    0.000

assign (resid  26 and name HN   ) (resid  25 and name HG#  )    5.000    5.000    0.000

assign (resid  26 and name HN   ) (resid  27 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HA   ) (resid  22 and name HA   )    6.000    6.000    0.000

assign (resid  27 and name HA   ) (resid  26 and name HA#  )    0.000    0.000    5.000

assign (resid  27 and name HA   ) (resid  26 and name HN   )    0.000    0.000    5.000

assign (resid  27 and name HB2  ) (resid  28 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HB2  ) (resid  29 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HG#  ) (resid  27 and name HA   )    0.000    0.000    5.000

assign (resid  27 and name HN   ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  28 and name HB1  ) (resid  28 and name HN   )    3.500    3.500    0.000

assign (resid  28 and name HB2  ) (resid  28 and name HG#  )    5.000    5.000    0.000

assign (resid  28 and name HG#  ) (resid  28 and name HA   )    0.000    0.000    3.500

assign (resid  28 and name HG#  ) (resid  28 and name HB1  )    3.500    3.500    0.000

assign (resid  29 and name HA   ) (resid  30 and name HA   )    5.000    5.000    0.000

assign (resid  29 and name HD#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  29 and name HD#  ) (resid  29 and name HB2  )    0.000    0.000    5.000

assign (resid  29 and name HG#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  29 and name HG#  ) (resid  29 and name HD#  )    0.000    0.000    5.000

assign (resid  29 and name HN   ) (resid  22 and name HB1  )    5.000    5.000    0.000

assign (resid  29 and name HN   ) (resid  28 and name HB2  )    5.000    5.000    0.000

assign (resid  29 and name HN   ) (resid  29 and name HG#  )    0.000    0.000    5.000

assign (resid  29 and name HN   ) (resid  31 and name HD1# )    6.000    6.000    0.000

assign (resid  30 and name HA   ) (resid  48 and name HB   )    5.000    5.000    0.000

assign (resid  30 and name HB#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HB#  ) (resid  30 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HD#  ) (resid  29 and name HA   )    6.000    6.000    0.000

assign (resid  30 and name HD#  ) (resid  30 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HD#  ) (resid  30 and name HB#  )    5.000    5.000    0.000

assign (resid  30 and name HG   ) (resid  30 and name HD#  )    0.000    0.000    5.000

assign (resid  30 and name HN   ) (resid  29 and name HB1  )    0.000    0.000    3.500

assign (resid  31 and name HA   ) (resid  31 and name HD1# )    5.000    5.000    0.000

assign (resid  31 and name HB   ) (resid  19 and name HG#  )    5.000    5.000    0.000

assign (resid  31 and name HD1# ) (resid  31 and name HB   )    0.000    0.000    5.000

assign (resid  31 and name HD1# ) (resid  49 and name HA   )    6.000    6.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HA   )    5.000    5.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HB   )    5.000    5.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HD1# )    0.000    0.000    5.000

assign (resid  31 and name HG2# ) (resid  31 and name HN   )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  30 and name HB#  )    0.000    0.000    5.000

assign (resid  31 and name HN   ) (resid  30 and name HD#  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  30 and name HG   )    0.000    0.000    3.500

assign (resid  31 and name HN   ) (resid  32 and name HD#  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  47 and name HB1  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  50 and name HB#  )    6.000    6.000    0.000

assign (resid  32 and name HA   ) (resid  30 and name HD#  )    5.000    5.000    0.000

assign (resid  32 and name HB#  ) (resid  32 and name HA   )    0.000    0.000    5.000

assign (resid  32 and name HB#  ) (resid  32 and name HG#  )    5.000    5.000    0.000

assign (resid  32 and name HD#  ) (resid  32 and name HB#  )    0.000    0.000    5.000

assign (resid  32 and name HG#  ) (resid  32 and name HA   )    0.000    0.000    5.000

assign (resid  32 and name HN   ) (resid  30 and name HG   )    5.000    5.000    0.000

assign (resid  32 and name HN   ) (resid  31 and name HG2# )    3.500    3.500    0.000

assign (resid  32 and name HN   ) (resid  32 and name HD#  )    0.000    0.000    3.500

assign (resid  33 and name HG2# ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  33 and name HG2# ) (resid  33 and name HB   )    0.000    0.000    5.000

assign (resid  33 and name HG2# ) (resid  52 and name HN   )    5.000    5.000    0.000

assign (resid  33 and name HN   ) (resid  57 and name HB1  )    5.000    5.000    0.000

assign (resid  34 and name HD1  ) (resid  34 and name HA   )    0.000    0.000    5.000

assign (resid  34 and name HD1  ) (resid  34 and name HN   )    6.000    6.000    0.000

assign (resid  34 and name HD1  ) (resid  52 and name HD#  )    5.000    5.000    0.000

assign (resid  34 and name HE3  ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  34 and name HE3  ) (resid  34 and name HA   )    5.000    5.000    0.000

assign (resid  34 and name HE3  ) (resid  52 and name HB#  )    6.000    6.000    0.000

assign (resid  35 and name HN   ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  36 and name HA   ) (resid  36 and name HB#  )    5.000    5.000    0.000

assign (resid  36 and name HA   ) (resid  52 and name HE#  )    5.000    5.000    0.000

assign (resid  36 and name HG#  ) (resid  36 and name HA   )    0.000    0.000    5.000

assign (resid  37 and name HA   ) (resid  37 and name HB#  )    5.000    5.000    0.000

assign (resid  37 and name HD#  ) (resid  37 and name HA   )    6.000    6.000    0.000

assign (resid  38 and name HA   ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  38 and name HN   ) (resid  36 and name HA   )    5.000    5.000    0.000

assign (resid  39 and name HG2# ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  39 and name HG2# ) (resid  39 and name HA   )    0.000    0.000    3.500

assign (resid  39 and name HG2# ) (resid  39 and name HB   )    0.000    0.000    5.000

assign (resid  40 and name HD1# ) (resid  40 and name HA   )    0.000    0.000    5.000

assign (resid  40 and name HD1# ) (resid  40 and name HB   )    5.000    5.000    0.000

assign (resid  40 and name HD1# ) (resid  67 and name HA   )    5.000    5.000    0.000

assign (resid  40 and name HG2# ) (resid  40 and name HA   )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  40 and name HB   )    0.000    0.000    3.500

assign (resid  40 and name HG2# ) (resid  40 and name HD1# )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  40 and name HG1# )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  62 and name HD1# )    3.500    3.500    0.000

assign (resid  40 and name HN   ) (resid  40 and name HG2# )    5.000    5.000    0.000

assign (resid  41 and name HA   ) (resid  42 and name HB#  )    5.000    5.000    0.000

assign (resid  41 and name HA   ) (resid  68 and name HN   )    5.000    5.000    0.000

assign (resid  41 and name HB   ) (resid  42 and name HB#  )    5.000    5.000    0.000

assign (resid  41 and name HG#  ) (resid  41 and name HA   )    0.000    0.000    3.500

assign (resid  41 and name HG#  ) (resid  41 and name HB   )    0.000    0.000    5.000

assign (resid  41 and name HG#  ) (resid  42 and name HD#  )    5.000    5.000    0.000

assign (resid  42 and name HA   ) (resid  41 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HA   ) (resid  41 and name HB   )    5.000    5.000    0.000

assign (resid  42 and name HA   ) (resid  44 and name HN   )    3.500    3.500    0.000

assign (resid  42 and name HA   ) (resid  45 and name HN   )    5.000    5.000    0.000

assign (resid  42 and name HB#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HD#  ) (resid  41 and name HA   )    0.000    0.000    3.500

assign (resid  42 and name HD#  ) (resid  41 and name HB   )    0.000    0.000    3.500

assign (resid  42 and name HD#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HD#  ) (resid  42 and name HB#  )    0.000    0.000    3.500

assign (resid  42 and name HG#  ) (resid  41 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  41 and name HB   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HB#  )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HD#  )    0.000    0.000    5.000

assign (resid  43 and name HA   ) (resid  41 and name HB   )    5.000    5.000    0.000

assign (resid  43 and name HB#  ) (resid  43 and name HA   )    0.000    0.000    3.500

assign (resid  43 and name HG#  ) (resid  19 and name HG#  )    5.000    5.000    0.000

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assign (resid  74 and name HD#  ) (resid  74 and name HN   )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  40 and name HD1# )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  60 and name HB   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  60 and name HG#  )    6.000    6.000    0.000

assign (resid  74 and name HE#  ) (resid  62 and name HB   )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  62 and name HD1# )    6.000    6.000    0.000

assign (resid  74 and name HE#  ) (resid  66 and name HB2  )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  69 and name HB2  )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  69 and name HN   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  71 and name HA   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  73 and name HB2  )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  74 and name HB1  )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  74 and name HD#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  70 and name HD#  )    6.000    6.000    0.000

assign (resid  74 and name HZ   ) (resid  40 and name HB   )    5.000    5.000    0.000

assign (resid  74 and name HZ   ) (resid  74 and name HE#  )    0.000    0.000    3.500

assign (resid  75 and name HB#  ) (resid  74 and name HB2  )    6.000    6.000    0.000

assign (resid  75 and name HB#  ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HA   ) (resid  75 and name HA   )    5.000    5.000    0.000

assign (resid  76 and name HA   ) (resid  77 and name HA   )    6.000    6.000    0.000

assign (resid  76 and name HB#  ) (resid  75 and name HA   )    6.000    6.000    0.000

assign (resid  76 and name HB#  ) (resid  76 and name HA   )    0.000    0.000    3.500

assign (resid  76 and name HD#  ) (resid  74 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  75 and name HA   )    0.000    0.000    3.500

assign (resid  76 and name HD#  ) (resid  75 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  76 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  77 and name HG2# ) (resid  77 and name HA   )    0.000    0.000    5.000

assign (resid  77 and name HG2# ) (resid  77 and name HB   )    5.000    5.000    0.000

assign (resid  77 and name HG2# ) (resid  78 and name HB#  )    6.000    6.000    0.000

assign (resid  77 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    6.000

assign (resid  78 and name HA   ) (resid  78 and name HB#  )    5.000    5.000    0.000

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assign (resid   9 and name HN   ) (resid   9 and name HG#  )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid   9 and name HA   )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid   9 and name HB   )    5.000    5.000    0.000

assign (resid  10 and name HN   ) (resid   9 and name HG#  )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid   9 and name HN   )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid  10 and name HB2  )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid  39 and name HB   )    5.000    5.000    0.000

assign (resid  10 and name HN   ) (resid  39 and name HG2# )    6.000    6.000    0.000

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assign (resid  11 and name HN   ) (resid  10 and name HB1  )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  10 and name HN   )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  11 and name HB   )    3.500    3.500    0.000

assign (resid  11 and name HN   ) (resid  12 and name HA   )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  11 and name HA   )    0.000    0.000    3.500

assign (resid  12 and name HN   ) (resid  11 and name HB   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  11 and name HN   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  12 and name HA   )    0.000    0.000    2.700

assign (resid  12 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    3.500

assign (resid  12 and name HN   ) (resid  13 and name HN   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  38 and name HA   )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  13 and name HA   )    0.000    0.000    2.700

assign (resid  13 and name HN   ) (resid  13 and name HB#  )    0.000    0.000    3.500

assign (resid  13 and name HN   ) (resid  14 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HN   ) (resid  13 and name HA   )    3.500    3.500    0.000

assign (resid  14 and name HN   ) (resid  13 and name HB#  )    3.500    3.500    0.000

assign (resid  14 and name HN   ) (resid  13 and name HN   )    0.000    0.000    3.500

assign (resid  14 and name HN   ) (resid  15 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HN   ) (resid  17 and name HB#  )    6.000    6.000    0.000

assign (resid  15 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  13 and name HN   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  14 and name HA   )    3.500    3.500    0.000

assign (resid  15 and name HN   ) (resid  14 and name HB#  )    3.500    3.500    0.000

assign (resid  15 and name HN   ) (resid  15 and name HB#  )    0.000    0.000    3.500

assign (resid  15 and name HN   ) (resid  15 and name HG   )    0.000    0.000    3.500

assign (resid  15 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  18 and name HN   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  12 and name HB#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HB#  )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HB1  )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HD#  )    0.000    0.000    5.000

assign (resid  16 and name HN   ) (resid  16 and name HG   )    0.000    0.000    3.500

assign (resid  16 and name HN   ) (resid  18 and name HN   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  14 and name HA   )    3.500    3.500    0.000

assign (resid  17 and name HN   ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HB1  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  17 and name HB#  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  17 and name HG#  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  19 and name HN   )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  14 and name HA   )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  17 and name HA   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  17 and name HB#  )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  17 and name HG#  )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  17 and name HN   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  18 and name HB1  )    3.500    3.500    0.000

assign (resid  18 and name HN   ) (resid  19 and name HB   )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  16 and name HN   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  17 and name HG#  )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  18 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  18 and name HN   )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  19 and name HB   )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  20 and name HN   ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  17 and name HN   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  18 and name HN   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HB   )    0.000    0.000    3.500

assign (resid  20 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HN   )    0.000    0.000    3.500

assign (resid  20 and name HN   ) (resid  20 and name HB#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  20 and name HD#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  20 and name HG   )    0.000    0.000    2.700

assign (resid  20 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  17 and name HA   )    5.000    5.000    0.000

assign (resid  21 and name HN   ) (resid  18 and name HA   )    5.000    5.000    0.000

assign (resid  21 and name HN   ) (resid  18 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    6.000

assign (resid  21 and name HN   ) (resid  19 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HA   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  20 and name HB#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HD#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HG   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  20 and name HN   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  21 and name HG#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  23 and name HN   )    5.000    5.000    0.000

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assign (resid  22 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  22 and name HN   ) (resid  20 and name HN   )    5.000    5.000    0.000

assign (resid  22 and name HN   ) (resid  21 and name HB#  )    3.500    3.500    0.000

assign (resid  22 and name HN   ) (resid  21 and name HG#  )    0.000    0.000    5.000

assign (resid  22 and name HN   ) (resid  22 and name HB2  )    0.000    0.000    3.500

assign (resid  22 and name HN   ) (resid  22 and name HD#  )    0.000    0.000    3.500

assign (resid  22 and name HN   ) (resid  23 and name HB#  )    5.000    5.000    0.000

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assign (resid  23 and name HD21 ) (resid  19 and name HG#  )    6.000    6.000    0.000

assign (resid  23 and name HD21 ) (resid  23 and name HB#  )    0.000    0.000    3.500

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assign (resid  23 and name HD21 ) (resid  43 and name HG#  )    5.000    5.000    0.000

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assign (resid  23 and name HD22 ) (resid  23 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HD22 ) (resid  23 and name HB#  )    0.000    0.000    5.000

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assign (resid  23 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    6.000

assign (resid  23 and name HN   ) (resid  20 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  22 and name HA   )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  22 and name HB2  )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  22 and name HN   )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  23 and name HB#  )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  23 and name HD22 )    0.000    0.000    5.000

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assign (resid  24 and name HN   ) (resid  21 and name HA   )    3.500    3.500    0.000

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assign (resid  25 and name HN   ) (resid  25 and name HB#  )    0.000    0.000    5.000

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assign (resid  61 and name HN   ) (resid  61 and name HB2  )    0.000    0.000    3.500

assign (resid  61 and name HN   ) (resid  61 and name HD#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  45 and name HA   )    5.000    5.000    0.000

assign (resid  62 and name HN   ) (resid  46 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  47 and name HB2  )    5.000    5.000    0.000

assign (resid  62 and name HN   ) (resid  47 and name HN   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  48 and name HA   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  49 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  60 and name HG#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HA   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  61 and name HB1  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HD#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HE#  )    6.000    6.000    0.000

assign (resid  62 and name HN   ) (resid  61 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  62 and name HB   )    0.000    0.000    3.500

assign (resid  63 and name HN   ) (resid  62 and name HA   )    5.000    5.000    0.000

assign (resid  63 and name HN   ) (resid  62 and name HG2# )    5.000    5.000    0.000

assign (resid  63 and name HN   ) (resid  63 and name HG2# )    0.000    0.000    5.000

assign (resid  63 and name HN   ) (resid  66 and name HN   )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  45 and name HG#  )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  62 and name HG2# )    0.000    0.000    6.000

assign (resid  64 and name HN   ) (resid  63 and name HA   )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  63 and name HG2# )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  63 and name HN   )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  64 and name HB#  )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  64 and name HG#  )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    6.000

assign (resid  64 and name HN   ) (resid  66 and name HN   )    0.000    0.000    5.000

assign (resid  65 and name HD2# ) (resid  65 and name HA   )    0.000    0.000    6.000

assign (resid  65 and name HD2# ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  45 and name HG#  )    6.000    6.000    0.000

assign (resid  65 and name HN   ) (resid  64 and name HA   )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  64 and name HG#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  64 and name HN   )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  67 and name HN   )    0.000    0.000    5.000

assign (resid  66 and name HN   ) (resid  65 and name HA   )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  66 and name HN   ) (resid  65 and name HN   )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  66 and name HB2  )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  66 and name HG#  )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  67 and name HA   )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  40 and name HG2# )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  62 and name HG2# )    0.000    0.000    6.000

assign (resid  67 and name HN   ) (resid  65 and name HA   )    5.000    5.000    0.000

assign (resid  67 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    6.000

assign (resid  67 and name HN   ) (resid  66 and name HA   )    0.000    0.000    3.500

assign (resid  67 and name HN   ) (resid  66 and name HB2  )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  66 and name HG#  )    5.000    5.000    0.000

assign (resid  67 and name HN   ) (resid  66 and name HN   )    0.000    0.000    3.500

assign (resid  67 and name HN   ) (resid  67 and name HB   )    0.000    0.000    2.700

assign (resid  67 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  40 and name HB   )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  40 and name HG2# )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  67 and name HA   )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  67 and name HN   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  68 and name HA#  )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  69 and name HA   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  69 and name HB2  )    5.000    5.000    0.000

assign (resid  68 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  40 and name HB   )    3.500    3.500    0.000

assign (resid  69 and name HN   ) (resid  40 and name HD1# )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  67 and name HA   )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  68 and name HA#  )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  68 and name HN   )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  69 and name HB2  )    3.500    3.500    0.000

assign (resid  69 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  73 and name HN   )    5.000    5.000    0.000

assign (resid  70 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    6.000

assign (resid  70 and name HN   ) (resid  40 and name HD1# )    6.000    6.000    0.000

assign (resid  70 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HA   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HB1  )    3.500    3.500    0.000

assign (resid  70 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HN   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  70 and name HB#  )    5.000    5.000    0.000

assign (resid  70 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  70 and name HG#  )    0.000    0.000    3.500

assign (resid  70 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HD#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HE#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HZ   )    5.000    5.000    0.000

assign (resid  71 and name HN   ) (resid  39 and name HG2# )    6.000    6.000    0.000

assign (resid  71 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  69 and name HB2  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  70 and name HA   )    0.000    0.000    3.500

assign (resid  71 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  70 and name HN   )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  71 and name HB#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  71 and name HG   )    0.000    0.000    3.500

assign (resid  71 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  74 and name HN   )    0.000    0.000    5.000

assign (resid  72 and name HN   ) (resid  69 and name HB2  )    3.500    3.500    0.000

assign (resid  72 and name HN   ) (resid  70 and name HA   )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  70 and name HD#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  71 and name HA   )    0.000    0.000    5.000

assign (resid  72 and name HN   ) (resid  71 and name HB#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  71 and name HG   )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  71 and name HN   )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  73 and name HG#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  75 and name HB#  )    6.000    6.000    0.000

assign (resid  73 and name HN   ) (resid  69 and name HB1  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  70 and name HN   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  71 and name HN   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  72 and name HN   )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  73 and name HB2  )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  74 and name HA   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    6.000

assign (resid  74 and name HN   ) (resid  71 and name HA   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  71 and name HD#  )    6.000    6.000    0.000

assign (resid  74 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  72 and name HN   )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  73 and name HA   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  73 and name HB2  )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  73 and name HN   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    2.700

assign (resid  74 and name HN   ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  76 and name HG#  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  71 and name HA   )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  71 and name HD#  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  72 and name HN   )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  73 and name HA   )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  73 and name HB2  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  73 and name HN   )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  74 and name HA   )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  74 and name HN   )    0.000    0.000    2.700

assign (resid  75 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  76 and name HB#  )    6.000    6.000    0.000

assign (resid  75 and name HN   ) (resid  76 and name HD#  )    3.500    3.500    0.000

assign (resid  75 and name HN   ) (resid  76 and name HG#  )    5.000    5.000    0.000

assign (resid  77 and name HN   ) (resid  75 and name HN   )    5.000    5.000    0.000

assign (resid  77 and name HN   ) (resid  76 and name HA   )    0.000    0.000    2.700

assign (resid  77 and name HN   ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  76 and name HG#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  77 and name HB   )    0.000    0.000    3.500

assign (resid  77 and name HN   ) (resid  77 and name HG2# )    0.000    0.000    5.000

assign (resid  78 and name HN   ) (resid  77 and name HA   )    0.000    0.000    3.500

assign (resid  78 and name HN   ) (resid  77 and name HB   )    5.000    5.000    0.000

assign (resid  78 and name HN   ) (resid  77 and name HG2# )    0.000    0.000    6.000

assign (resid  78 and name HN   ) (resid  77 and name HN   )    0.000    0.000    5.000

assign (resid  78 and name HN   ) (resid  78 and name HB#  )    0.000    0.000    5.000



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   8           H        GLY   8  11.927   3.788 -15.493
    2   2HA   GLY   8          1HA       GLY   8   8.979   3.509 -15.756
    3   1HA   GLY   8          2HA       GLY   8   9.887   5.008 -15.963
    4    H    VAL   9           H        VAL   9   8.549   2.762 -13.598
    5    HA   VAL   9           HA       VAL   9   8.288   4.922 -11.632
    6    HB   VAL   9           HB       VAL   9   7.119   3.140 -10.351
    7   1HG1  VAL   9          1HG1      VAL   9   5.279   2.849 -11.883
    8   2HG1  VAL   9          2HG1      VAL   9   6.337   3.081 -13.274
    9   3HG1  VAL   9          3HG1      VAL   9   5.991   4.432 -12.194
   10   1HG2  VAL   9          1HG2      VAL   9   7.032   0.890 -11.060
   11   2HG2  VAL   9          2HG2      VAL   9   8.725   1.325 -11.292
   12   3HG2  VAL   9          3HG2      VAL   9   7.628   1.282 -12.672
   13    H    PHE  10           H        PHE  10   9.128   4.727  -9.413
   14    HA   PHE  10           HA       PHE  10  11.752   3.279  -9.309
   15   2HB   PHE  10          1HB       PHE  10  10.780   5.975  -8.603
   16   1HB   PHE  10          2HB       PHE  10  12.404   5.448  -9.019
   17    HD1  PHE  10          1HD       PHE  10   9.959   5.797  -6.264
   18    HE1  PHE  10          1HE       PHE  10  10.605   5.939  -3.879
   19    HZ   PHE  10           HZ       PHE  10  12.957   5.515  -3.197
   20    HE2  PHE  10          2HE       PHE  10  14.654   4.950  -4.917
   21    HD2  PHE  10          2HD       PHE  10  14.009   4.810  -7.306
   22    H    VAL  11           H        VAL  11  12.180   1.992  -7.503
   23    HA   VAL  11           HA       VAL  11   9.869   1.452  -5.681
   24    HB   VAL  11           HB       VAL  11  12.314  -0.154  -6.515
   25   1HG1  VAL  11          1HG1      VAL  11  11.024  -0.343  -4.082
   26   2HG1  VAL  11          2HG1      VAL  11  11.904  -1.657  -4.864
   27   3HG1  VAL  11          3HG1      VAL  11  10.156  -1.528  -5.059
   28   1HG2  VAL  11          1HG2      VAL  11  10.702  -1.588  -7.638
   29   2HG2  VAL  11          2HG2      VAL  11  10.433   0.071  -8.171
   30   3HG2  VAL  11          3HG2      VAL  11   9.356  -0.658  -6.980
   31    H    ASP  12           H        ASP  12  10.110   2.461  -3.723
   32    HA   ASP  12           HA       ASP  12  12.235   3.913  -2.779
   33   2HB   ASP  12          1HB       ASP  12  10.460   2.152  -1.076
   34   1HB   ASP  12          2HB       ASP  12   9.941   3.675  -1.797
   35    H    ASP  13           H        ASP  13  14.339   3.317  -2.624
   36    HA   ASP  13           HA       ASP  13  15.243   0.624  -2.193
   37   2HB   ASP  13          1HB       ASP  13  16.805   3.176  -1.777
   38   1HB   ASP  13          2HB       ASP  13  16.352   2.631  -3.394
   39    H    HIS  14           H        HIS  14  14.337   3.283  -0.159
   40    HA   HIS  14           HA       HIS  14  15.780   2.563   2.220
   41   2HB   HIS  14          1HB       HIS  14  13.191   3.948   2.491
   42   1HB   HIS  14          2HB       HIS  14  14.247   4.655   1.266
   43    HD1  HIS  14          1HD       HIS  14  16.971   4.554   2.390
   44    HD2  HIS  14          2HD       HIS  14  13.684   5.275   4.851
   45    HE1  HIS  14          1HE       HIS  14  17.867   5.691   4.467
   46    H    LEU  15           H        LEU  15  12.793   1.423   0.769
   47    HA   LEU  15           HA       LEU  15  11.747   0.171   3.195
   48   1HB   LEU  15          1HB       LEU  15  10.639   1.001   0.908
   49   2HB   LEU  15          2HB       LEU  15   9.940  -0.332   1.813
   50    HG   LEU  15           HG       LEU  15  11.999  -0.835  -0.330
   51   1HD1  LEU  15          1HD1      LEU  15  10.712  -2.473   1.499
   52   2HD1  LEU  15          2HD1      LEU  15  11.513  -3.009   0.023
   53   3HD1  LEU  15          3HD1      LEU  15   9.780  -2.699   0.021
   54   1HD2  LEU  15          1HD2      LEU  15  10.393   0.352  -1.585
   55   2HD2  LEU  15          2HD2      LEU  15   9.052  -0.280  -0.631
   56   3HD2  LEU  15          3HD2      LEU  15   9.895  -1.330  -1.770
   57    H    LEU  16           H        LEU  16  13.609  -0.746   0.373
   58    HA   LEU  16           HA       LEU  16  13.727  -3.568   0.751
   59   2HB   LEU  16          1HB       LEU  16  15.965  -3.127  -0.552
   60   1HB   LEU  16          2HB       LEU  16  15.370  -1.466  -0.615
   61    HG   LEU  16           HG       LEU  16  13.151  -3.062  -1.230
   62   1HD1  LEU  16          1HD1      LEU  16  14.210  -0.813  -2.145
   63   2HD1  LEU  16          2HD1      LEU  16  13.123  -1.767  -3.157
   64   3HD1  LEU  16          3HD1      LEU  16  14.869  -1.883  -3.384
   65   1HD2  LEU  16          1HD2      LEU  16  13.979  -4.446  -3.107
   66   2HD2  LEU  16          2HD2      LEU  16  14.669  -4.962  -1.566
   67   3HD2  LEU  16          3HD2      LEU  16  15.637  -4.006  -2.690
   68    H    GLU  17           H        GLU  17  15.930  -0.960   1.782
   69    HA   GLU  17           HA       GLU  17  17.918  -2.465   3.087
   70   1HB   GLU  17          1HB       GLU  17  17.232   0.185   2.746
   71   2HB   GLU  17          2HB       GLU  17  18.599  -0.381   3.699
   72   2HG   GLU  17          1HG       GLU  17  17.349  -0.265   5.733
   73   1HG   GLU  17          2HG       GLU  17  15.828  -0.056   4.867
   74    H    LYS  18           H        LYS  18  14.591  -1.945   4.058
   75    HA   LYS  18           HA       LYS  18  15.122  -3.118   6.757
   76   2HB   LYS  18          1HB       LYS  18  12.644  -2.303   6.978
   77   1HB   LYS  18          2HB       LYS  18  12.978  -1.422   5.489
   78   2HG   LYS  18          1HG       LYS  18  15.163  -0.706   6.861
   79   1HG   LYS  18          2HG       LYS  18  14.096  -1.020   8.229
   80   2HD   LYS  18          1HD       LYS  18  12.482   0.577   7.437
   81   1HD   LYS  18          2HD       LYS  18  13.302   0.726   5.884
   82   2HE   LYS  18          1HE       LYS  18  14.168   2.608   6.940
   83   1HE   LYS  18          2HE       LYS  18  15.351   1.415   7.510
   84   1HZ   LYS  18          1HZ       LYS  18  13.921   1.017   9.442
   85   2HZ   LYS  18          2HZ       LYS  18  12.829   2.198   8.894
   86   3HZ   LYS  18          3HZ       LYS  18  14.398   2.642   9.370
   87    H    VAL  19           H        VAL  19  13.260  -3.592   3.747
   88    HA   VAL  19           HA       VAL  19  11.707  -5.837   4.735
   89    HB   VAL  19           HB       VAL  19  11.419  -4.165   2.716
   90   1HG1  VAL  19          1HG1      VAL  19  13.550  -4.979   1.628
   91   2HG1  VAL  19          2HG1      VAL  19  12.127  -5.033   0.585
   92   3HG1  VAL  19          3HG1      VAL  19  12.731  -6.513   1.331
   93   1HG2  VAL  19          1HG2      VAL  19   9.577  -5.492   2.897
   94   2HG2  VAL  19          2HG2      VAL  19  10.544  -6.939   3.202
   95   3HG2  VAL  19          3HG2      VAL  19  10.294  -6.375   1.545
   96    H    LEU  20           H        LEU  20  14.748  -5.592   2.872
   97    HA   LEU  20           HA       LEU  20  15.024  -8.399   2.334
   98   1HB   LEU  20          1HB       LEU  20  16.281  -6.473   1.264
   99   2HB   LEU  20          2HB       LEU  20  17.306  -7.813   1.766
  100    HG   LEU  20           HG       LEU  20  16.845  -5.604   3.730
  101   1HD1  LEU  20          1HD1      LEU  20  18.472  -7.889   3.538
  102   2HD1  LEU  20          2HD1      LEU  20  18.588  -6.614   4.750
  103   3HD1  LEU  20          3HD1      LEU  20  19.565  -6.529   3.284
  104   1HD2  LEU  20          1HD2      LEU  20  18.466  -4.166   2.723
  105   2HD2  LEU  20          2HD2      LEU  20  17.343  -4.590   1.431
  106   3HD2  LEU  20          3HD2      LEU  20  18.913  -5.386   1.531
  107    H    GLU  21           H        GLU  21  15.603  -6.393   5.128
  108    HA   GLU  21           HA       GLU  21  17.197  -8.299   6.603
  109   2HB   GLU  21          1HB       GLU  21  15.430  -6.028   7.558
  110   1HB   GLU  21          2HB       GLU  21  17.069  -5.802   6.949
  111   2HG   GLU  21          1HG       GLU  21  17.671  -6.057   9.134
  112   1HG   GLU  21          2HG       GLU  21  17.454  -7.777   8.814
  113    H    LEU  22           H        LEU  22  13.752  -7.596   6.177
  114    HA   LEU  22           HA       LEU  22  12.856  -9.400   8.307
  115   2HB   LEU  22          1HB       LEU  22  10.633  -8.913   7.170
  116   1HB   LEU  22          2HB       LEU  22  11.528  -7.987   5.966
  117    HG   LEU  22           HG       LEU  22  11.825  -6.219   7.364
  118   1HD1  LEU  22          1HD1      LEU  22   9.639  -7.766   8.770
  119   2HD1  LEU  22          2HD1      LEU  22   9.455  -6.489   7.568
  120   3HD1  LEU  22          3HD1      LEU  22  10.054  -6.101   9.180
  121   1HD2  LEU  22          1HD2      LEU  22  12.246  -8.282   9.537
  122   2HD2  LEU  22          2HD2      LEU  22  12.144  -6.561   9.901
  123   3HD2  LEU  22          3HD2      LEU  22  13.423  -7.165   8.850
  124    H    ASN  23           H        ASN  23  13.689  -9.656   4.920
  125    HA   ASN  23           HA       ASN  23  12.335 -12.242   4.521
  126   2HB   ASN  23          1HB       ASN  23  13.837 -12.054   2.381
  127   1HB   ASN  23          2HB       ASN  23  14.174 -10.425   2.964
  128   1HD2  ASN  23          1HD2      ASN  23  12.673  -8.855   2.337
  129   2HD2  ASN  23          2HD2      ASN  23  11.096  -9.180   1.800
  130    H    ALA  24           H        ALA  24  15.262 -11.174   5.955
  131    HA   ALA  24           HA       ALA  24  16.867 -13.507   5.325
  132   1HB   ALA  24          1HB       ALA  24  17.781 -11.227   5.665
  133   2HB   ALA  24          2HB       ALA  24  18.463 -12.370   6.822
  134   3HB   ALA  24          3HB       ALA  24  17.189 -11.258   7.327
  135    H    LYS  25           H        LYS  25  15.009 -12.249   8.106
  136    HA   LYS  25           HA       LYS  25  15.558 -14.792   9.555
  137   1HB   LYS  25          1HB       LYS  25  15.843 -12.267  10.383
  138   2HB   LYS  25          2HB       LYS  25  15.360 -13.546  11.491
  139   1HG   LYS  25          1HG       LYS  25  13.179 -12.163  10.000
  140   2HG   LYS  25          2HG       LYS  25  13.990 -11.246  11.268
  141   1HD   LYS  25          1HD       LYS  25  13.214 -14.048  11.925
  142   2HD   LYS  25          2HD       LYS  25  11.905 -12.876  11.776
  143   2HE   LYS  25          1HE       LYS  25  13.252 -11.373  13.358
  144   1HE   LYS  25          2HE       LYS  25  14.282 -12.785  13.661
  145   1HZ   LYS  25          1HZ       LYS  25  12.280 -14.048  14.224
  146   2HZ   LYS  25          2HZ       LYS  25  11.317 -12.673  13.958
  147   3HZ   LYS  25          3HZ       LYS  25  12.437 -12.697  15.236
  148    H    GLY  26           H        GLY  26  13.022 -12.998   7.964
  149   2HA   GLY  26          1HA       GLY  26  11.128 -15.216   8.595
  150   1HA   GLY  26          2HA       GLY  26  11.009 -14.143   7.200
  151    H    GLU  27           H        GLU  27  11.582 -11.744   8.895
  152    HA   GLU  27           HA       GLU  27   9.481 -11.560  10.914
  153   2HB   GLU  27          1HB       GLU  27  10.210  -8.995  10.271
  154   1HB   GLU  27          2HB       GLU  27  11.612  -9.905   9.708
  155   2HG   GLU  27          1HG       GLU  27  11.789 -10.980  11.926
  156   1HG   GLU  27          2HG       GLU  27  10.390 -10.063  12.482
  157    H    LYS  28           H        LYS  28   7.365 -11.024  10.576
  158    HA   LYS  28           HA       LYS  28   6.551 -10.066   7.855
  159   2HB   LYS  28          1HB       LYS  28   4.260 -10.880   8.960
  160   1HB   LYS  28          2HB       LYS  28   5.356 -11.774  10.013
  161   2HG   LYS  28          1HG       LYS  28   6.415 -12.817   8.066
  162   1HG   LYS  28          2HG       LYS  28   5.399 -11.869   6.980
  163   2HD   LYS  28          1HD       LYS  28   4.213 -13.876   7.077
  164   1HD   LYS  28          2HD       LYS  28   3.429 -12.953   8.359
  165   2HE   LYS  28          1HE       LYS  28   3.891 -14.924   9.518
  166   1HE   LYS  28          2HE       LYS  28   5.409 -14.057   9.817
  167   1HZ   LYS  28          1HZ       LYS  28   5.842 -16.262   8.911
  168   2HZ   LYS  28          2HZ       LYS  28   6.310 -15.074   7.792
  169   3HZ   LYS  28          3HZ       LYS  28   4.862 -15.935   7.566
  170    H    ARG  29           H        ARG  29   7.544  -7.992   9.146
  171    HA   ARG  29           HA       ARG  29   5.391  -6.657  10.730
  172   2HB   ARG  29          1HB       ARG  29   8.022  -5.364  10.321
  173   1HB   ARG  29          2HB       ARG  29   8.096  -6.942  11.101
  174   2HG   ARG  29          1HG       ARG  29   6.775  -6.244  12.919
  175   1HG   ARG  29          2HG       ARG  29   6.118  -4.869  12.032
  176   1HD   ARG  29          1HD       ARG  29   9.084  -4.990  12.538
  177   2HD   ARG  29          2HD       ARG  29   7.999  -4.458  13.839
  178    HE   ARG  29           HE       ARG  29   8.127  -3.185  11.120
  179   1HH1  ARG  29          1HH1      ARG  29   9.364  -1.324  12.690
  180   2HH1  ARG  29          2HH1      ARG  29   8.130  -0.447  13.530
  181   1HH2  ARG  29          1HH2      ARG  29   5.679  -2.848  12.982
  182   2HH2  ARG  29          2HH2      ARG  29   6.038  -1.311  13.696
  183    H    LEU  30           H        LEU  30   6.371  -4.004  10.101
  184    HA   LEU  30           HA       LEU  30   5.537  -3.767   7.238
  185   1HB   LEU  30          1HB       LEU  30   4.263  -2.939   9.638
  186   2HB   LEU  30          2HB       LEU  30   3.765  -2.577   7.993
  187    HG   LEU  30           HG       LEU  30   5.664  -0.702   8.226
  188   1HD1  LEU  30          1HD1      LEU  30   3.839   0.576   7.962
  189   2HD1  LEU  30          2HD1      LEU  30   3.381   0.314   9.645
  190   3HD1  LEU  30          3HD1      LEU  30   2.835  -0.807   8.398
  191   1HD2  LEU  30          1HD2      LEU  30   4.632  -0.420  10.974
  192   2HD2  LEU  30          2HD2      LEU  30   6.260  -0.148  10.352
  193   3HD2  LEU  30          3HD2      LEU  30   5.731  -1.783  10.758
  194    H    ILE  31           H        ILE  31   6.653  -2.214   6.008
  195    HA   ILE  31           HA       ILE  31   9.037  -0.952   7.331
  196    HB   ILE  31           HB       ILE  31   8.544  -2.016   4.527
  197   1HG2  ILE  31          1HG2      ILE  31  10.607  -1.145   3.819
  198   2HG2  ILE  31          2HG2      ILE  31  11.179  -0.907   5.472
  199   3HG2  ILE  31          3HG2      ILE  31   9.966   0.178   4.797
  200   1HG1  ILE  31          1HG1      ILE  31   9.619  -3.109   6.962
  201   2HG1  ILE  31          2HG1      ILE  31  10.905  -3.018   5.758
  202   1HD1  ILE  31          1HD1      ILE  31   8.186  -4.310   5.380
  203   2HD1  ILE  31          2HD1      ILE  31   9.722  -5.158   5.568
  204   3HD1  ILE  31          3HD1      ILE  31   9.426  -4.178   4.133
  205    H    LYS  32           H        LYS  32   8.813   1.232   7.509
  206    HA   LYS  32           HA       LYS  32   6.738   2.694   6.059
  207   1HB   LYS  32          1HB       LYS  32   7.587   4.572   7.427
  208   2HB   LYS  32          2HB       LYS  32   8.982   3.601   7.894
  209   1HG   LYS  32          1HG       LYS  32   7.136   3.633   9.609
  210   2HG   LYS  32          2HG       LYS  32   7.568   2.016   9.056
  211   2HD   LYS  32          1HD       LYS  32   5.575   1.709   7.971
  212   1HD   LYS  32          2HD       LYS  32   5.443   3.408   7.514
  213   2HE   LYS  32          1HE       LYS  32   5.103   3.763  10.121
  214   1HE   LYS  32          2HE       LYS  32   4.610   2.060  10.068
  215   1HZ   LYS  32          1HZ       LYS  32   3.580   4.212   8.281
  216   2HZ   LYS  32          2HZ       LYS  32   2.746   3.586   9.623
  217   3HZ   LYS  32          3HZ       LYS  32   3.075   2.593   8.286
  218    H    THR  33           H        THR  33   7.126   4.497   4.627
  219    HA   THR  33           HA       THR  33   9.862   4.720   3.435
  220    HB   THR  33           HB       THR  33   7.235   4.090   2.060
  221    HG1  THR  33          1HG       THR  33   9.772   2.816   2.099
  222   1HG2  THR  33          1HG2      THR  33   8.812   4.135  -0.019
  223   2HG2  THR  33          2HG2      THR  33   9.808   5.196   0.978
  224   3HG2  THR  33          3HG2      THR  33   8.154   5.654   0.585
  225    H    TRP  34           H        TRP  34  10.201   6.803   2.361
  226    HA   TRP  34           HA       TRP  34   8.003   8.817   2.611
  227   1HB   TRP  34          1HB       TRP  34   9.494  10.329   3.820
  228   2HB   TRP  34          2HB       TRP  34  10.813   9.168   3.700
  229    HD1  TRP  34           HD       TRP  34   7.506   9.771   5.499
  230    HE3  TRP  34          3HE       TRP  34  11.637   6.920   4.645
  231    HE1  TRP  34          1HE       TRP  34   7.392   8.209   7.550
  232    HZ3  TRP  34          3HZ       TRP  34  12.272   5.108   6.217
  233    HZ2  TRP  34          2HZ       TRP  34   8.875   6.032   8.679
  234    HH2  TRP  34           HH       TRP  34  10.895   4.659   8.229
  235    H    SER  35           H        SER  35   9.316   7.574   0.226
  236    HA   SER  35           HA       SER  35  11.114   9.654  -0.836
  237   2HB   SER  35          1HB       SER  35   9.861   7.192  -2.097
  238   1HB   SER  35          2HB       SER  35  11.416   7.236  -1.276
  239    HG   SER  35           HG       SER  35  12.302   8.163  -2.934
  240    H    ARG  36           H        ARG  36   8.700   8.330  -3.004
  241    HA   ARG  36           HA       ARG  36   6.816  10.536  -2.905
  242   2HB   ARG  36          1HB       ARG  36   8.037  10.895  -5.461
  243   1HB   ARG  36          2HB       ARG  36   9.331  10.897  -4.264
  244   2HG   ARG  36          1HG       ARG  36   7.870  12.534  -2.927
  245   1HG   ARG  36          2HG       ARG  36   6.900  12.691  -4.391
  246   2HD   ARG  36          1HD       ARG  36   8.506  14.460  -4.528
  247   1HD   ARG  36          2HD       ARG  36   9.155  13.193  -5.586
  248    HE   ARG  36           HE       ARG  36  10.030  13.598  -2.739
  249   1HH1  ARG  36          1HH1      ARG  36  11.567  14.518  -5.288
  250   2HH1  ARG  36          2HH1      ARG  36  12.774  13.280  -5.377
  251   1HH2  ARG  36          1HH2      ARG  36  11.151  11.164  -3.150
  252   2HH2  ARG  36          2HH2      ARG  36  12.538  11.378  -4.163
  253    H    ARG  37           H        ARG  37   8.371   8.576  -5.472
  254    HA   ARG  37           HA       ARG  37   5.674   7.583  -6.308
  255   1HB   ARG  37          1HB       ARG  37   7.185   8.769  -7.933
  256   2HB   ARG  37          2HB       ARG  37   6.801   7.123  -8.434
  257   2HG   ARG  37          1HG       ARG  37   8.963   6.471  -8.283
  258   1HG   ARG  37          2HG       ARG  37   9.170   7.250  -6.717
  259   1HD   ARG  37          1HD       ARG  37   9.109   8.827  -9.304
  260   2HD   ARG  37          2HD       ARG  37  10.610   8.197  -8.600
  261    HE   ARG  37           HE       ARG  37   8.774  10.145  -7.248
  262   1HH1  ARG  37          1HH1      ARG  37  10.520   8.396  -5.470
  263   2HH1  ARG  37          2HH1      ARG  37  11.898   9.417  -5.239
  264   1HH2  ARG  37          1HH2      ARG  37  11.106  11.536  -7.875
  265   2HH2  ARG  37          2HH2      ARG  37  12.231  11.199  -6.602
  266    H    SER  38           H        SER  38   7.203   6.595  -3.962
  267    HA   SER  38           HA       SER  38   8.678   4.284  -4.150
  268   2HB   SER  38          1HB       SER  38   7.284   3.675  -2.034
  269   1HB   SER  38          2HB       SER  38   6.448   5.200  -2.341
  270    HG   SER  38           HG       SER  38   8.097   6.223  -1.608
  271    H    THR  39           H        THR  39   8.376   2.263  -4.950
  272    HA   THR  39           HA       THR  39   5.589   1.326  -5.547
  273    HB   THR  39           HB       THR  39   8.174   0.964  -7.102
  274    HG1  THR  39          1HG       THR  39   7.508   2.776  -7.904
  275   1HG2  THR  39          1HG2      THR  39   5.477  -0.319  -7.297
  276   2HG2  THR  39          2HG2      THR  39   7.072  -1.009  -7.607
  277   3HG2  THR  39          3HG2      THR  39   6.329   0.061  -8.796
  278    H    ILE  40           H        ILE  40   5.345  -1.047  -5.455
  279    HA   ILE  40           HA       ILE  40   6.843  -2.229  -3.226
  280    HB   ILE  40           HB       ILE  40   4.684  -3.240  -5.097
  281   1HG2  ILE  40          1HG2      ILE  40   5.946  -5.122  -4.112
  282   2HG2  ILE  40          2HG2      ILE  40   4.319  -5.024  -3.452
  283   3HG2  ILE  40          3HG2      ILE  40   5.688  -4.445  -2.505
  284   1HG1  ILE  40          1HG1      ILE  40   4.743  -1.798  -2.477
  285   2HG1  ILE  40          2HG1      ILE  40   3.465  -2.985  -2.736
  286   1HD1  ILE  40          1HD1      ILE  40   3.995  -0.418  -4.182
  287   2HD1  ILE  40          2HD1      ILE  40   2.469  -1.073  -3.593
  288   3HD1  ILE  40          3HD1      ILE  40   3.210  -1.738  -5.051
  289    H    VAL  41           H        VAL  41   7.676  -4.523  -3.462
  290    HA   VAL  41           HA       VAL  41   8.919  -5.148  -6.111
  291    HB   VAL  41           HB       VAL  41  10.906  -5.778  -4.291
  292   1HG1  VAL  41          1HG1      VAL  41  10.466  -3.293  -5.965
  293   2HG1  VAL  41          2HG1      VAL  41  11.372  -4.742  -6.397
  294   3HG1  VAL  41          3HG1      VAL  41  11.997  -3.650  -5.163
  295   1HG2  VAL  41          1HG2      VAL  41   9.786  -4.591  -2.457
  296   2HG2  VAL  41          2HG2      VAL  41   9.683  -3.129  -3.438
  297   3HG2  VAL  41          3HG2      VAL  41  11.255  -3.735  -2.921
  298    HA   PRO  42           HA       PRO  42   8.167  -9.334  -5.171
  299   2HB   PRO  42          1HB       PRO  42   9.611  -9.975  -6.843
  300   1HB   PRO  42          2HB       PRO  42  10.575 -10.591  -5.486
  301   1HG   PRO  42          1HG       PRO  42  11.595  -8.862  -7.214
  302   2HG   PRO  42          2HG       PRO  42  11.958  -8.740  -5.482
  303   2HD   PRO  42          1HD       PRO  42  10.089  -7.116  -7.160
  304   1HD   PRO  42          2HD       PRO  42  11.154  -6.608  -5.830
  305    H    GLU  43           H        GLU  43  10.893  -7.922  -3.449
  306    HA   GLU  43           HA       GLU  43  11.089  -9.922  -1.370
  307   2HB   GLU  43          1HB       GLU  43  12.184  -7.760  -0.254
  308   1HB   GLU  43          2HB       GLU  43  12.056  -7.140  -1.899
  309   2HG   GLU  43          1HG       GLU  43  14.185  -8.156  -1.848
  310   1HG   GLU  43          2HG       GLU  43  13.163  -9.379  -2.604
  311    H    MET  44           H        MET  44   8.602  -7.716  -2.020
  312    HA   MET  44           HA       MET  44   7.954  -7.193   0.833
  313   2HB   MET  44          1HB       MET  44   6.023  -5.996  -0.663
  314   1HB   MET  44          2HB       MET  44   7.344  -6.069  -1.830
  315   2HG   MET  44          1HG       MET  44   8.733  -5.249   0.297
  316   1HG   MET  44          2HG       MET  44   7.161  -4.595   0.752
  317   1HE   MET  44          1HE       MET  44   7.135  -1.514  -0.327
  318   2HE   MET  44          2HE       MET  44   6.249  -2.918   0.261
  319   3HE   MET  44          3HE       MET  44   5.959  -2.323  -1.369
  320    H    VAL  45           H        VAL  45   7.409  -9.757  -1.130
  321    HA   VAL  45           HA       VAL  45   4.629 -10.232  -1.218
  322    HB   VAL  45           HB       VAL  45   7.008 -12.085  -0.907
  323   1HG1  VAL  45          1HG1      VAL  45   4.100 -12.626  -1.379
  324   2HG1  VAL  45          2HG1      VAL  45   5.278 -13.558  -0.455
  325   3HG1  VAL  45          3HG1      VAL  45   5.290 -13.619  -2.217
  326   1HG2  VAL  45          1HG2      VAL  45   5.476 -11.550  -3.435
  327   2HG2  VAL  45          2HG2      VAL  45   7.155 -12.047  -3.236
  328   3HG2  VAL  45          3HG2      VAL  45   6.682 -10.385  -2.889
  329    H    GLY  46           H        GLY  46   6.311  -9.814   1.675
  330   2HA   GLY  46          1HA       GLY  46   5.726 -11.660   3.537
  331   1HA   GLY  46          2HA       GLY  46   4.106 -11.064   3.173
  332    H    HIS  47           H        HIS  47   4.942  -8.303   2.672
  333    HA   HIS  47           HA       HIS  47   5.418  -7.475   5.503
  334   1HB   HIS  47          1HB       HIS  47   7.185  -5.989   4.842
  335   2HB   HIS  47          2HB       HIS  47   6.841  -6.237   3.134
  336    HD1  HIS  47          1HD       HIS  47   8.607  -7.771   6.047
  337    HD2  HIS  47          2HD       HIS  47   7.750  -8.752   2.089
  338    HE1  HIS  47          1HE       HIS  47  10.068  -9.759   5.469
  339    H    THR  48           H        THR  48   4.446  -5.523   6.050
  340    HA   THR  48           HA       THR  48   2.520  -4.368   4.092
  341    HB   THR  48           HB       THR  48   2.528  -3.456   6.911
  342    HG1  THR  48          1HG       THR  48   2.794  -5.371   7.708
  343   1HG2  THR  48          1HG2      THR  48   0.174  -4.866   5.957
  344   2HG2  THR  48          2HG2      THR  48   0.722  -3.650   4.803
  345   3HG2  THR  48          3HG2      THR  48   0.346  -3.185   6.460
  346    H    ILE  49           H        ILE  49   4.285  -3.221   2.980
  347    HA   ILE  49           HA       ILE  49   5.909  -1.335   4.552
  348    HB   ILE  49           HB       ILE  49   5.679  -1.905   1.586
  349   1HG2  ILE  49          1HG2      ILE  49   7.688  -0.644   1.299
  350   2HG2  ILE  49          2HG2      ILE  49   7.962  -0.546   3.038
  351   3HG2  ILE  49          3HG2      ILE  49   6.644   0.365   2.300
  352   2HG1  ILE  49          1HG1      ILE  49   6.538  -3.880   2.421
  353   1HG1  ILE  49          2HG1      ILE  49   7.176  -3.112   3.871
  354   1HD1  ILE  49          1HD1      ILE  49   8.383  -2.488   1.191
  355   2HD1  ILE  49          2HD1      ILE  49   8.843  -3.961   2.044
  356   3HD1  ILE  49          3HD1      ILE  49   9.120  -2.388   2.789
  357    H    ALA  50           H        ALA  50   5.194   0.661   5.061
  358    HA   ALA  50           HA       ALA  50   2.838   1.795   3.805
  359   1HB   ALA  50          1HB       ALA  50   3.283   2.133   6.147
  360   2HB   ALA  50          2HB       ALA  50   3.381   3.701   5.340
  361   3HB   ALA  50          3HB       ALA  50   4.857   2.841   5.788
  362    H    VAL  51           H        VAL  51   3.694   1.716   1.616
  363    HA   VAL  51           HA       VAL  51   5.966   3.138   0.669
  364    HB   VAL  51           HB       VAL  51   4.797   2.981  -1.504
  365   1HG1  VAL  51          1HG1      VAL  51   5.760   0.934  -0.195
  366   2HG1  VAL  51          2HG1      VAL  51   4.764   0.645  -1.621
  367   3HG1  VAL  51          3HG1      VAL  51   4.068   0.475  -0.011
  368   1HG2  VAL  51          1HG2      VAL  51   2.429   1.771  -1.210
  369   2HG2  VAL  51          2HG2      VAL  51   2.567   3.530  -1.226
  370   3HG2  VAL  51          3HG2      VAL  51   2.437   2.670   0.306
  371    H    TYR  52           H        TYR  52   6.335   5.297   0.399
  372    HA   TYR  52           HA       TYR  52   4.322   7.247   1.225
  373   2HB   TYR  52          1HB       TYR  52   7.001   7.714  -0.119
  374   1HB   TYR  52          2HB       TYR  52   6.860   7.316   1.593
  375    HD1  TYR  52          1HD       TYR  52   4.865   8.763   2.792
  376    HE1  TYR  52          1HE       TYR  52   4.399  11.139   3.324
  377    HE2  TYR  52          2HE       TYR  52   6.735  12.352  -0.070
  378    HD2  TYR  52          2HD       TYR  52   7.200   9.976  -0.597
  379    HH   TYR  52           HH       TYR  52   5.977  13.540   2.535
  380    H    ASN  53           H        ASN  53   2.626   7.448  -0.260
  381    HA   ASN  53           HA       ASN  53   3.036   7.205  -3.127
  382   1HB   ASN  53          1HB       ASN  53   0.965   6.691  -1.675
  383   2HB   ASN  53          2HB       ASN  53   0.686   7.470  -3.230
  384   1HD2  ASN  53          1HD2      ASN  53  -0.434   9.449  -3.190
  385   2HD2  ASN  53          2HD2      ASN  53  -0.767  10.331  -1.780
  386    H    GLY  54           H        GLY  54   4.112   9.592  -1.214
  387   2HA   GLY  54          1HA       GLY  54   3.462  11.760  -3.166
  388   1HA   GLY  54          2HA       GLY  54   5.084  11.543  -2.502
  389    H    LYS  55           H        LYS  55   2.246  10.971  -0.562
  390    HA   LYS  55           HA       LYS  55   2.976  13.300   1.158
  391   2HB   LYS  55          1HB       LYS  55   1.202  14.265   0.011
  392   1HB   LYS  55          2HB       LYS  55   0.339  13.478   1.330
  393   2HG   LYS  55          1HG       LYS  55   0.321  11.432  -0.379
  394   1HG   LYS  55          2HG       LYS  55   0.453  12.735  -1.559
  395   2HD   LYS  55          1HD       LYS  55  -1.837  12.703  -1.356
  396   1HD   LYS  55          2HD       LYS  55  -1.481  13.773   0.000
  397   2HE   LYS  55          1HE       LYS  55  -1.641  11.944   1.577
  398   1HE   LYS  55          2HE       LYS  55  -1.717  10.752   0.264
  399   1HZ   LYS  55          1HZ       LYS  55  -3.936  11.313   1.100
  400   2HZ   LYS  55          2HZ       LYS  55  -3.753  11.810  -0.514
  401   3HZ   LYS  55          3HZ       LYS  55  -3.673  12.950   0.744
  402    H    GLN  56           H        GLN  56   1.543  10.089   0.854
  403    HA   GLN  56           HA       GLN  56   1.467   9.907   3.845
  404   1HB   GLN  56          1HB       GLN  56  -0.625  10.013   1.999
  405   2HB   GLN  56          2HB       GLN  56  -0.745   9.578   3.700
  406   1HG   GLN  56          1HG       GLN  56   0.176   7.314   2.155
  407   2HG   GLN  56          2HG       GLN  56  -1.315   7.946   1.477
  408   1HE2  GLN  56          1HE2      GLN  56   0.090   7.087   4.698
  409   2HE2  GLN  56          2HE2      GLN  56  -1.369   6.508   5.340
  410    H    HIS  57           H        HIS  57   1.817   7.836   4.728
  411    HA   HIS  57           HA       HIS  57   3.392   5.974   3.011
  412   1HB   HIS  57          1HB       HIS  57   4.524   5.445   4.963
  413   2HB   HIS  57          2HB       HIS  57   3.097   5.620   5.967
  414    HD1  HIS  57          1HD       HIS  57   2.799   7.796   7.193
  415    HD2  HIS  57          2HD       HIS  57   5.750   8.044   4.263
  416    HE1  HIS  57          1HE       HIS  57   3.908  10.053   7.484
  417    H    VAL  58           H        VAL  58   1.804   4.635   2.033
  418    HA   VAL  58           HA       VAL  58  -0.459   3.614   3.655
  419    HB   VAL  58           HB       VAL  58   0.370   3.146   0.766
  420   1HG1  VAL  58          1HG1      VAL  58  -2.281   2.716   2.178
  421   2HG1  VAL  58          2HG1      VAL  58  -1.181   1.437   1.664
  422   3HG1  VAL  58          3HG1      VAL  58  -1.974   2.455   0.462
  423   1HG2  VAL  58          1HG2      VAL  58  -0.048   5.516   1.162
  424   2HG2  VAL  58          2HG2      VAL  58  -1.545   5.142   2.014
  425   3HG2  VAL  58          3HG2      VAL  58  -1.417   4.836   0.283
  426    HA   PRO  59           HA       PRO  59   2.349   0.132   4.599
  427   2HB   PRO  59          1HB       PRO  59   1.854   0.425   6.848
  428   1HB   PRO  59          2HB       PRO  59   0.734  -0.922   6.556
  429   1HG   PRO  59          1HG       PRO  59  -0.130   1.406   7.505
  430   2HG   PRO  59          2HG       PRO  59  -1.084   0.491   6.323
  431   2HD   PRO  59          1HD       PRO  59   0.605   2.928   5.932
  432   1HD   PRO  59          2HD       PRO  59  -0.952   2.503   5.190
  433    H    VAL  60           H        VAL  60   1.863  -0.708   2.530
  434    HA   VAL  60           HA       VAL  60  -0.621  -2.283   2.167
  435    HB   VAL  60           HB       VAL  60   0.394  -2.595  -0.140
  436   1HG1  VAL  60          1HG1      VAL  60  -1.121  -0.634   0.731
  437   2HG1  VAL  60          2HG1      VAL  60  -0.362  -0.510  -0.855
  438   3HG1  VAL  60          3HG1      VAL  60   0.341   0.331   0.526
  439   1HG2  VAL  60          1HG2      VAL  60   2.371  -1.498  -0.770
  440   2HG2  VAL  60          2HG2      VAL  60   2.776  -2.171   0.808
  441   3HG2  VAL  60          3HG2      VAL  60   2.364  -0.461   0.655
  442    H    TYR  61           H        TYR  61  -0.591  -4.352   3.013
  443    HA   TYR  61           HA       TYR  61   1.910  -5.831   3.323
  444   2HB   TYR  61          1HB       TYR  61  -0.897  -6.970   3.385
  445   1HB   TYR  61          2HB       TYR  61  -0.257  -6.020   4.728
  446    HD1  TYR  61          1HD       TYR  61   0.704  -7.263   6.452
  447    HE1  TYR  61          1HE       TYR  61   1.969  -9.233   7.250
  448    HE2  TYR  61          2HE       TYR  61   2.219 -10.705   3.217
  449    HD2  TYR  61          2HD       TYR  61   0.967  -8.736   2.426
  450    HH   TYR  61           HH       TYR  61   2.249 -11.877   5.993
  451    H    ILE  62           H        ILE  62   2.847  -6.173   1.319
  452    HA   ILE  62           HA       ILE  62   1.265  -6.904  -1.024
  453    HB   ILE  62           HB       ILE  62   4.240  -6.842  -0.467
  454   1HG2  ILE  62          1HG2      ILE  62   4.628  -7.062  -2.745
  455   2HG2  ILE  62          2HG2      ILE  62   3.026  -6.470  -3.180
  456   3HG2  ILE  62          3HG2      ILE  62   3.220  -8.108  -2.555
  457   1HG1  ILE  62          1HG1      ILE  62   2.258  -4.759  -0.760
  458   2HG1  ILE  62          2HG1      ILE  62   3.436  -4.666  -2.066
  459   1HD1  ILE  62          1HD1      ILE  62   3.945  -3.451   0.202
  460   2HD1  ILE  62          2HD1      ILE  62   5.231  -4.357  -0.588
  461   3HD1  ILE  62          3HD1      ILE  62   4.363  -5.067   0.773
  462    H    THR  63           H        THR  63   0.912  -8.932  -1.791
  463    HA   THR  63           HA       THR  63   2.070 -11.251  -0.312
  464    HB   THR  63           HB       THR  63   0.181 -12.472  -1.306
  465    HG1  THR  63          1HG       THR  63  -0.684 -11.769  -3.065
  466   1HG2  THR  63          1HG2      THR  63  -0.158 -10.918   0.707
  467   2HG2  THR  63          2HG2      THR  63  -1.609 -11.404  -0.170
  468   3HG2  THR  63          3HG2      THR  63  -0.920  -9.802  -0.427
  469    H    GLU  64           H        GLU  64   1.680 -13.058  -2.608
  470    HA   GLU  64           HA       GLU  64   4.099 -12.280  -4.127
  471   2HB   GLU  64          1HB       GLU  64   2.398 -14.773  -4.423
  472   1HB   GLU  64          2HB       GLU  64   3.540 -14.578  -3.094
  473   1HG   GLU  64          1HG       GLU  64   4.693 -13.921  -5.716
  474   2HG   GLU  64          2HG       GLU  64   4.151 -15.595  -5.597
  475    H    ASN  65           H        ASN  65   1.012 -11.304  -4.494
  476    HA   ASN  65           HA       ASN  65   1.233 -11.205  -7.463
  477   2HB   ASN  65          1HB       ASN  65  -1.453 -11.844  -6.380
  478   1HB   ASN  65          2HB       ASN  65  -0.253 -13.127  -6.229
  479   1HD2  ASN  65          1HD2      ASN  65  -1.014 -10.678  -8.793
  480   2HD2  ASN  65          2HD2      ASN  65  -1.056 -11.810 -10.058
  481    H    MET  66           H        MET  66   1.290  -9.243  -5.058
  482    HA   MET  66           HA       MET  66  -0.952  -7.446  -5.922
  483   2HB   MET  66          1HB       MET  66  -0.608  -6.461  -3.652
  484   1HB   MET  66          2HB       MET  66   0.603  -7.702  -3.338
  485   2HG   MET  66          1HG       MET  66  -1.211  -8.828  -2.500
  486   1HG   MET  66          2HG       MET  66  -1.454  -9.251  -4.193
  487   1HE   MET  66          1HE       MET  66  -3.100  -8.828  -5.508
  488   2HE   MET  66          2HE       MET  66  -2.948  -7.101  -5.824
  489   3HE   MET  66          3HE       MET  66  -4.504  -7.766  -5.329
  490    H    VAL  67           H        VAL  67   2.524  -7.737  -5.451
  491    HA   VAL  67           HA       VAL  67   3.310  -4.994  -5.631
  492    HB   VAL  67           HB       VAL  67   4.765  -6.819  -4.888
  493   1HG1  VAL  67          1HG1      VAL  67   4.188  -8.722  -6.116
  494   2HG1  VAL  67          2HG1      VAL  67   5.708  -8.265  -6.886
  495   3HG1  VAL  67          3HG1      VAL  67   4.171  -7.849  -7.649
  496   1HG2  VAL  67          1HG2      VAL  67   5.722  -4.765  -6.062
  497   2HG2  VAL  67          2HG2      VAL  67   5.859  -5.763  -7.508
  498   3HG2  VAL  67          3HG2      VAL  67   6.766  -6.186  -6.056
  499    H    GLY  68           H        GLY  68   4.462  -3.991  -7.507
  500   2HA   GLY  68          1HA       GLY  68   3.255  -4.802 -10.120
  501   1HA   GLY  68          2HA       GLY  68   4.914  -4.229  -9.978
  502    H    HIS  69           H        HIS  69   2.693  -2.529  -7.926
  503    HA   HIS  69           HA       HIS  69   2.544  -0.352  -9.977
  504   2HB   HIS  69          1HB       HIS  69   0.389   0.184  -8.827
  505   1HB   HIS  69          2HB       HIS  69   0.605  -1.226  -7.796
  506    HD1  HIS  69          1HD       HIS  69  -1.210  -0.342 -10.664
  507    HD2  HIS  69          2HD       HIS  69   1.257  -3.603  -9.809
  508    HE1  HIS  69          1HE       HIS  69  -1.833  -2.165 -12.308
  509    H    LYS  70           H        LYS  70   1.610  -0.181  -6.591
  510    HA   LYS  70           HA       LYS  70   3.934   1.017  -5.491
  511   2HB   LYS  70          1HB       LYS  70   3.708   2.818  -7.023
  512   1HB   LYS  70          2HB       LYS  70   3.012   3.426  -5.522
  513   1HG   LYS  70          1HG       LYS  70   1.197   1.991  -7.395
  514   2HG   LYS  70          2HG       LYS  70   1.718   3.607  -7.860
  515   1HD   LYS  70          1HD       LYS  70   0.981   3.575  -5.066
  516   2HD   LYS  70          2HD       LYS  70  -0.336   2.914  -6.033
  517   2HE   LYS  70          1HE       LYS  70  -0.779   5.237  -6.087
  518   1HE   LYS  70          2HE       LYS  70   0.143   5.004  -7.585
  519   1HZ   LYS  70          1HZ       LYS  70   2.156   5.591  -6.421
  520   2HZ   LYS  70          2HZ       LYS  70   1.329   5.705  -4.941
  521   3HZ   LYS  70          3HZ       LYS  70   1.020   6.826  -6.178
  522    H    LEU  71           H        LEU  71   0.501   0.814  -5.570
  523    HA   LEU  71           HA       LEU  71   0.066   0.030  -2.894
  524   1HB   LEU  71          1HB       LEU  71   0.935   2.567  -2.834
  525   2HB   LEU  71          2HB       LEU  71  -0.265   1.983  -1.692
  526    HG   LEU  71           HG       LEU  71  -1.286   3.044  -4.286
  527   1HD1  LEU  71          1HD1      LEU  71  -2.334   2.286  -1.793
  528   2HD1  LEU  71          2HD1      LEU  71  -3.202   3.104  -3.092
  529   3HD1  LEU  71          3HD1      LEU  71  -2.440   4.047  -1.811
  530   1HD2  LEU  71          1HD2      LEU  71  -0.587   4.979  -2.088
  531   2HD2  LEU  71          2HD2      LEU  71  -0.926   5.307  -3.787
  532   3HD2  LEU  71          3HD2      LEU  71   0.610   4.579  -3.320
  533    H    GLY  72           H        GLY  72  -1.130   1.260  -5.931
  534   2HA   GLY  72          1HA       GLY  72  -3.247   1.262  -6.915
  535   1HA   GLY  72          2HA       GLY  72  -3.942   1.298  -5.296
  536    H    GLU  73           H        GLU  73  -1.712  -1.275  -5.858
  537    HA   GLU  73           HA       GLU  73  -3.755  -3.199  -6.803
  538   2HB   GLU  73          1HB       GLU  73  -1.681  -4.735  -6.313
  539   1HB   GLU  73          2HB       GLU  73  -0.820  -3.208  -6.122
  540   2HG   GLU  73          1HG       GLU  73  -0.597  -3.170  -8.352
  541   1HG   GLU  73          2HG       GLU  73  -2.332  -2.888  -8.458
  542    H    PHE  74           H        PHE  74  -2.519  -1.969  -3.847
  543    HA   PHE  74           HA       PHE  74  -3.584  -4.288  -2.291
  544   1HB   PHE  74          1HB       PHE  74  -1.994  -3.701  -0.651
  545   2HB   PHE  74          2HB       PHE  74  -1.889  -2.038  -1.219
  546    HD1  PHE  74          1HD       PHE  74  -0.666  -1.518  -3.370
  547    HE1  PHE  74          1HE       PHE  74   1.318  -2.096  -4.709
  548    HZ   PHE  74           HZ       PHE  74   2.346  -4.333  -4.491
  549    HE2  PHE  74          2HE       PHE  74   1.386  -5.996  -2.946
  550    HD2  PHE  74          2HD       PHE  74  -0.606  -5.442  -1.611
  551    H    ALA  75           H        ALA  75  -4.116  -0.965  -3.133
  552    HA   ALA  75           HA       ALA  75  -6.338  -0.824  -1.136
  553   1HB   ALA  75          1HB       ALA  75  -5.624   1.578  -0.798
  554   2HB   ALA  75          2HB       ALA  75  -4.191   1.227  -1.764
  555   3HB   ALA  75          3HB       ALA  75  -4.444   0.399  -0.228
  556    HA   PRO  76           HA       PRO  76  -7.442   0.690  -5.425
  557   2HB   PRO  76          1HB       PRO  76  -6.941  -1.218  -6.636
  558   1HB   PRO  76          2HB       PRO  76  -8.679  -1.520  -6.463
  559   1HG   PRO  76          1HG       PRO  76  -6.675  -3.172  -5.542
  560   2HG   PRO  76          2HG       PRO  76  -8.340  -3.164  -4.948
  561   2HD   PRO  76          1HD       PRO  76  -5.933  -2.388  -3.579
  562   1HD   PRO  76          2HD       PRO  76  -7.587  -2.465  -2.943
  563    H    THR  77           H        THR  77  -8.732   1.184  -3.036
  564    HA   THR  77           HA       THR  77 -11.620   0.696  -3.704
  565    HB   THR  77           HB       THR  77 -10.310   0.788  -0.963
  566    HG1  THR  77          1HG       THR  77 -11.272  -1.396  -2.502
  567   1HG2  THR  77          1HG2      THR  77 -13.127   0.269  -1.921
  568   2HG2  THR  77          2HG2      THR  77 -12.580   1.460  -0.742
  569   3HG2  THR  77          3HG2      THR  77 -12.566  -0.255  -0.334
  570    H    ARG  78           H        ARG  78 -13.008   2.476  -3.317
  571    HA   ARG  78           HA       ARG  78 -11.663   5.112  -3.057
  572   2HB   ARG  78          1HB       ARG  78 -14.387   5.491  -3.461
  573   1HB   ARG  78          2HB       ARG  78 -14.074   3.959  -4.272
  574   1HG   ARG  78          1HG       ARG  78 -12.124   6.172  -4.730
  575   2HG   ARG  78          2HG       ARG  78 -13.706   6.320  -5.496
  576   1HD   ARG  78          1HD       ARG  78 -12.128   3.748  -5.711
  577   2HD   ARG  78          2HD       ARG  78 -11.842   5.094  -6.833
  578    HE   ARG  78           HE       ARG  78 -14.449   3.658  -6.490
  579   1HH1  ARG  78          1HH1      ARG  78 -13.134   3.327  -9.075
  580   2HH1  ARG  78          2HH1      ARG  78 -13.819   4.587 -10.047
  581   1HH2  ARG  78          1HH2      ARG  78 -15.021   6.392  -7.331
  582   2HH2  ARG  78          2HH2      ARG  78 -14.891   6.326  -9.057
  583    H    THR  79           H        THR  79 -13.378   6.742  -1.865
  584    HA   THR  79           HA       THR  79 -13.256   6.113   0.941
  585    HB   THR  79           HB       THR  79 -13.222   8.383  -0.158
  586    HG1  THR  79          1HG       THR  79 -13.629   8.738   1.870
  587   1HG2  THR  79          1HG2      THR  79 -15.166   7.819  -1.707
  588   2HG2  THR  79          2HG2      THR  79 -15.245   9.399  -0.928
  589   3HG2  THR  79          3HG2      THR  79 -16.225   8.065  -0.319
  590    H    TYR  80           H        TYR  80 -15.742   5.596  -1.498
  591    HA   TYR  80           HA       TYR  80 -17.711   4.813   0.610
  592   1HB   TYR  80          1HB       TYR  80 -18.318   6.478  -1.167
  593   2HB   TYR  80          2HB       TYR  80 -19.351   5.051  -1.183
  594    HD1  TYR  80          1HD       TYR  80 -19.011   3.273  -2.911
  595    HE1  TYR  80          1HE       TYR  80 -18.400   2.855  -5.276
  596    HE2  TYR  80          2HE       TYR  80 -16.240   6.567  -5.375
  597    HD2  TYR  80          2HD       TYR  80 -16.852   6.986  -3.010
  598    HH   TYR  80           HH       TYR  80 -17.530   4.965  -7.351

  No H/Q in entry =         598
  Start of MODEL    2
    1    H    GLY   8           H        GLY   8   9.763   7.853 -14.481
    2   2HA   GLY   8          1HA       GLY   8   9.042   5.143 -15.510
    3   1HA   GLY   8          2HA       GLY   8   7.929   6.510 -15.424
    4    H    VAL   9           H        VAL   9   9.598   4.039 -13.540
    5    HA   VAL   9           HA       VAL   9   7.903   4.729 -11.166
    6    HB   VAL   9           HB       VAL   9   6.929   2.924 -12.628
    7   1HG1  VAL   9          1HG1      VAL   9   9.262   1.237 -11.696
    8   2HG1  VAL   9          2HG1      VAL   9   9.239   2.026 -13.273
    9   3HG1  VAL   9          3HG1      VAL   9   8.020   0.816 -12.876
   10   1HG2  VAL   9          1HG2      VAL   9   6.410   1.433 -10.800
   11   2HG2  VAL   9          2HG2      VAL   9   6.575   3.056 -10.131
   12   3HG2  VAL   9          3HG2      VAL   9   7.883   1.887  -9.943
   13    H    PHE  10           H        PHE  10   8.962   4.500  -9.202
   14    HA   PHE  10           HA       PHE  10  11.703   3.283  -9.236
   15   2HB   PHE  10          1HB       PHE  10  10.722   5.976  -8.643
   16   1HB   PHE  10          2HB       PHE  10  12.368   5.434  -8.935
   17    HD1  PHE  10          1HD       PHE  10  13.822   4.709  -7.065
   18    HE1  PHE  10          1HE       PHE  10  14.320   4.972  -4.653
   19    HZ   PHE  10           HZ       PHE  10  12.573   5.795  -3.097
   20    HE2  PHE  10          2HE       PHE  10  10.312   6.362  -3.970
   21    HD2  PHE  10          2HD       PHE  10   9.813   6.106  -6.383
   22    H    VAL  11           H        VAL  11  12.220   2.032  -7.422
   23    HA   VAL  11           HA       VAL  11   9.989   1.532  -5.494
   24    HB   VAL  11           HB       VAL  11  10.818  -0.355  -6.926
   25   1HG1  VAL  11          1HG1      VAL  11  13.353  -0.384  -5.315
   26   2HG1  VAL  11          2HG1      VAL  11  13.265   0.613  -6.767
   27   3HG1  VAL  11          3HG1      VAL  11  13.017  -1.129  -6.878
   28   1HG2  VAL  11          1HG2      VAL  11  10.929  -0.345  -3.948
   29   2HG2  VAL  11          2HG2      VAL  11  11.564  -1.774  -4.763
   30   3HG2  VAL  11          3HG2      VAL  11   9.895  -1.273  -5.035
   31    H    ASP  12           H        ASP  12  10.298   2.587  -3.583
   32    HA   ASP  12           HA       ASP  12  12.507   4.033  -2.772
   33   2HB   ASP  12          1HB       ASP  12  10.682   2.464  -0.940
   34   1HB   ASP  12          2HB       ASP  12  10.199   3.945  -1.767
   35    H    ASP  13           H        ASP  13  14.572   3.275  -2.729
   36    HA   ASP  13           HA       ASP  13  15.346   0.592  -2.119
   37   2HB   ASP  13          1HB       ASP  13  17.058   3.065  -1.839
   38   1HB   ASP  13          2HB       ASP  13  16.530   2.504  -3.427
   39    H    HIS  14           H        HIS  14  14.645   3.431  -0.235
   40    HA   HIS  14           HA       HIS  14  16.027   2.695   2.178
   41   2HB   HIS  14          1HB       HIS  14  13.611   4.329   2.460
   42   1HB   HIS  14          2HB       HIS  14  14.625   4.869   1.118
   43    HD1  HIS  14          1HD       HIS  14  15.111   3.836   4.775
   44    HD2  HIS  14          2HD       HIS  14  16.670   6.511   1.981
   45    HE1  HIS  14          1HE       HIS  14  16.853   5.212   5.994
   46    H    LEU  15           H        LEU  15  13.053   1.680   0.709
   47    HA   LEU  15           HA       LEU  15  11.938   0.588   3.219
   48   1HB   LEU  15          1HB       LEU  15  11.000   1.493   0.688
   49   2HB   LEU  15          2HB       LEU  15  10.031   0.890   2.026
   50    HG   LEU  15           HG       LEU  15  11.337  -1.009   0.079
   51   1HD1  LEU  15          1HD1      LEU  15  10.500  -2.312   1.777
   52   2HD1  LEU  15          2HD1      LEU  15   9.011  -2.128   0.850
   53   3HD1  LEU  15          3HD1      LEU  15   9.308  -1.104   2.253
   54   1HD2  LEU  15          1HD2      LEU  15  10.024   0.433  -1.330
   55   2HD2  LEU  15          2HD2      LEU  15   8.694   0.450  -0.171
   56   3HD2  LEU  15          3HD2      LEU  15   9.070  -1.025  -1.062
   57    H    LEU  16           H        LEU  16  13.560  -0.453   0.254
   58    HA   LEU  16           HA       LEU  16  13.323  -3.292   0.654
   59   2HB   LEU  16          1HB       LEU  16  15.472  -3.063  -0.914
   60   1HB   LEU  16          2HB       LEU  16  14.908  -1.392  -1.019
   61    HG   LEU  16           HG       LEU  16  12.961  -3.646  -1.336
   62   1HD1  LEU  16          1HD1      LEU  16  11.646  -2.023  -2.381
   63   2HD1  LEU  16          2HD1      LEU  16  13.041  -1.035  -2.818
   64   3HD1  LEU  16          3HD1      LEU  16  12.492  -1.097  -1.143
   65   1HD2  LEU  16          1HD2      LEU  16  15.001  -3.966  -2.869
   66   2HD2  LEU  16          2HD2      LEU  16  14.503  -2.470  -3.658
   67   3HD2  LEU  16          3HD2      LEU  16  13.431  -3.871  -3.665
   68    H    GLU  17           H        GLU  17  15.784  -0.863   1.546
   69    HA   GLU  17           HA       GLU  17  17.798  -2.630   2.505
   70   2HB   GLU  17          1HB       GLU  17  18.100  -0.221   2.148
   71   1HB   GLU  17          2HB       GLU  17  18.540  -0.653   3.800
   72   2HG   GLU  17          1HG       GLU  17  15.976  -0.128   4.236
   73   1HG   GLU  17          2HG       GLU  17  16.177   0.861   2.794
   74    H    LYS  18           H        LYS  18  14.693  -1.850   3.864
   75    HA   LYS  18           HA       LYS  18  15.439  -2.964   6.528
   76   2HB   LYS  18          1HB       LYS  18  12.979  -2.162   6.917
   77   1HB   LYS  18          2HB       LYS  18  13.173  -1.354   5.363
   78   2HG   LYS  18          1HG       LYS  18  15.411  -0.468   6.428
   79   1HG   LYS  18          2HG       LYS  18  14.614  -0.857   7.953
   80   1HD   LYS  18          1HD       LYS  18  13.272   0.805   5.810
   81   2HD   LYS  18          2HD       LYS  18  14.279   1.528   7.065
   82   2HE   LYS  18          1HE       LYS  18  12.818   0.660   8.811
   83   1HE   LYS  18          2HE       LYS  18  11.880  -0.260   7.619
   84   1HZ   LYS  18          1HZ       LYS  18  11.322   1.818   6.514
   85   2HZ   LYS  18          2HZ       LYS  18  12.243   2.698   7.640
   86   3HZ   LYS  18          3HZ       LYS  18  10.838   1.884   8.138
   87    H    VAL  19           H        VAL  19  13.477  -3.648   3.653
   88    HA   VAL  19           HA       VAL  19  11.970  -5.836   4.848
   89    HB   VAL  19           HB       VAL  19  11.518  -4.289   2.787
   90   1HG1  VAL  19          1HG1      VAL  19  12.196  -5.190   0.654
   91   2HG1  VAL  19          2HG1      VAL  19  12.936  -6.590   1.429
   92   3HG1  VAL  19          3HG1      VAL  19  13.643  -4.988   1.638
   93   1HG2  VAL  19          1HG2      VAL  19  10.784  -7.059   3.419
   94   2HG2  VAL  19          2HG2      VAL  19  10.523  -6.646   1.720
   95   3HG2  VAL  19          3HG2      VAL  19   9.747  -5.697   2.991
   96    H    LEU  20           H        LEU  20  14.933  -5.614   2.880
   97    HA   LEU  20           HA       LEU  20  15.241  -8.415   2.370
   98   1HB   LEU  20          1HB       LEU  20  16.472  -6.504   1.272
   99   2HB   LEU  20          2HB       LEU  20  17.528  -7.807   1.808
  100    HG   LEU  20           HG       LEU  20  17.011  -5.585   3.735
  101   1HD1  LEU  20          1HD1      LEU  20  19.648  -6.058   3.808
  102   2HD1  LEU  20          2HD1      LEU  20  19.138  -7.581   3.079
  103   3HD1  LEU  20          3HD1      LEU  20  18.499  -7.098   4.650
  104   1HD2  LEU  20          1HD2      LEU  20  18.938  -5.345   1.404
  105   2HD2  LEU  20          2HD2      LEU  20  18.699  -4.167   2.694
  106   3HD2  LEU  20          3HD2      LEU  20  17.411  -4.472   1.527
  107    H    GLU  21           H        GLU  21  15.809  -6.401   5.164
  108    HA   GLU  21           HA       GLU  21  17.468  -8.250   6.627
  109   2HB   GLU  21          1HB       GLU  21  15.983  -6.635   8.401
  110   1HB   GLU  21          2HB       GLU  21  16.182  -5.667   6.942
  111   1HG   GLU  21          1HG       GLU  21  18.659  -7.014   7.554
  112   2HG   GLU  21          2HG       GLU  21  18.099  -6.135   8.976
  113    H    LEU  22           H        LEU  22  13.994  -7.705   6.244
  114    HA   LEU  22           HA       LEU  22  13.197  -9.618   8.321
  115   2HB   LEU  22          1HB       LEU  22  11.017  -9.160   6.713
  116   1HB   LEU  22          2HB       LEU  22  11.999  -7.738   6.368
  117    HG   LEU  22           HG       LEU  22  10.799  -8.628   8.983
  118   1HD1  LEU  22          1HD1      LEU  22  13.208  -6.816   8.637
  119   2HD1  LEU  22          2HD1      LEU  22  13.157  -8.344   9.519
  120   3HD1  LEU  22          3HD1      LEU  22  12.264  -6.947  10.122
  121   1HD2  LEU  22          1HD2      LEU  22  11.016  -5.991   7.502
  122   2HD2  LEU  22          2HD2      LEU  22  10.242  -6.192   9.074
  123   3HD2  LEU  22          3HD2      LEU  22   9.575  -6.996   7.653
  124    H    ASN  23           H        ASN  23  13.925  -9.688   4.894
  125    HA   ASN  23           HA       ASN  23  12.694 -12.333   4.452
  126   2HB   ASN  23          1HB       ASN  23  14.079 -11.932   2.240
  127   1HB   ASN  23          2HB       ASN  23  14.266 -10.299   2.880
  128   1HD2  ASN  23          1HD2      ASN  23  12.300  -8.983   3.111
  129   2HD2  ASN  23          2HD2      ASN  23  10.857  -9.419   2.330
  130    H    ALA  24           H        ALA  24  15.646 -11.111   5.716
  131    HA   ALA  24           HA       ALA  24  17.288 -13.404   4.947
  132   1HB   ALA  24          1HB       ALA  24  18.188 -11.116   5.010
  133   2HB   ALA  24          2HB       ALA  24  19.001 -12.120   6.212
  134   3HB   ALA  24          3HB       ALA  24  17.744 -10.987   6.713
  135    H    LYS  25           H        LYS  25  15.739 -12.028   7.846
  136    HA   LYS  25           HA       LYS  25  16.644 -14.331   9.491
  137   1HB   LYS  25          1HB       LYS  25  15.832 -12.973  11.335
  138   2HB   LYS  25          2HB       LYS  25  14.961 -11.916  10.226
  139   1HG   LYS  25          1HG       LYS  25  17.146 -10.968  11.073
  140   2HG   LYS  25          2HG       LYS  25  17.020 -11.049   9.317
  141   2HD   LYS  25          1HD       LYS  25  18.129 -13.433   9.684
  142   1HD   LYS  25          2HD       LYS  25  18.696 -12.691  11.180
  143   2HE   LYS  25          1HE       LYS  25  20.108 -11.244  10.066
  144   1HE   LYS  25          2HE       LYS  25  19.003 -11.073   8.688
  145   1HZ   LYS  25          1HZ       LYS  25  19.546 -13.344   8.034
  146   2HZ   LYS  25          2HZ       LYS  25  20.601 -13.499   9.357
  147   3HZ   LYS  25          3HZ       LYS  25  20.957 -12.405   8.108
  148    H    GLY  26           H        GLY  26  13.797 -12.959   7.976
  149   2HA   GLY  26          1HA       GLY  26  12.260 -15.407   8.743
  150   1HA   GLY  26          2HA       GLY  26  11.940 -14.423   7.315
  151    H    GLU  27           H        GLU  27  12.330 -11.921   9.004
  152    HA   GLU  27           HA       GLU  27  10.113 -12.007  10.946
  153   2HB   GLU  27          1HB       GLU  27  10.755  -9.537  11.087
  154   1HB   GLU  27          2HB       GLU  27  11.992  -9.882   9.880
  155   2HG   GLU  27          1HG       GLU  27  12.753 -11.766  11.478
  156   1HG   GLU  27          2HG       GLU  27  11.765 -10.954  12.693
  157    H    LYS  28           H        LYS  28   8.030 -11.296  10.535
  158    HA   LYS  28           HA       LYS  28   7.455 -10.209   7.800
  159   2HB   LYS  28          1HB       LYS  28   5.106 -11.159   8.542
  160   1HB   LYS  28          2HB       LYS  28   6.058 -12.055   9.724
  161   2HG   LYS  28          1HG       LYS  28   7.058 -13.362   8.122
  162   1HG   LYS  28          2HG       LYS  28   7.060 -12.071   6.921
  163   2HD   LYS  28          1HD       LYS  28   4.433 -12.414   7.031
  164   1HD   LYS  28          2HD       LYS  28   4.885 -14.013   7.624
  165   2HE   LYS  28          1HE       LYS  28   6.011 -14.563   5.611
  166   1HE   LYS  28          2HE       LYS  28   6.132 -12.865   5.115
  167   1HZ   LYS  28          1HZ       LYS  28   4.321 -14.004   3.955
  168   2HZ   LYS  28          2HZ       LYS  28   3.710 -12.789   4.973
  169   3HZ   LYS  28          3HZ       LYS  28   3.609 -14.421   5.437
  170    H    ARG  29           H        ARG  29   8.023  -8.043   8.804
  171    HA   ARG  29           HA       ARG  29   5.787  -6.977  10.499
  172   2HB   ARG  29          1HB       ARG  29   8.336  -5.488  10.313
  173   1HB   ARG  29          2HB       ARG  29   8.485  -7.100  11.000
  174   1HG   ARG  29          1HG       ARG  29   6.360  -5.171  11.939
  175   2HG   ARG  29          2HG       ARG  29   7.977  -5.180  12.639
  176   1HD   ARG  29          1HD       ARG  29   6.293  -7.696  12.447
  177   2HD   ARG  29          2HD       ARG  29   6.248  -6.623  13.859
  178    HE   ARG  29           HE       ARG  29   8.862  -6.952  13.767
  179   1HH1  ARG  29          1HH1      ARG  29   7.890  -8.963  15.506
  180   2HH1  ARG  29          2HH1      ARG  29   8.245 -10.465  14.719
  181   1HH2  ARG  29          1HH2      ARG  29   8.715  -9.021  11.594
  182   2HH2  ARG  29          2HH2      ARG  29   8.714 -10.496  12.500
  183    H    LEU  30           H        LEU  30   6.604  -4.230  10.060
  184    HA   LEU  30           HA       LEU  30   5.720  -3.883   7.221
  185   1HB   LEU  30          1HB       LEU  30   4.312  -3.209   9.321
  186   2HB   LEU  30          2HB       LEU  30   4.431  -2.067   7.990
  187    HG   LEU  30           HG       LEU  30   6.629  -1.394   9.501
  188   1HD1  LEU  30          1HD1      LEU  30   5.135   0.493  10.313
  189   2HD1  LEU  30          2HD1      LEU  30   3.792  -0.345   9.536
  190   3HD1  LEU  30          3HD1      LEU  30   5.145   0.240   8.567
  191   1HD2  LEU  30          1HD2      LEU  30   5.556  -1.147  11.832
  192   2HD2  LEU  30          2HD2      LEU  30   6.129  -2.754  11.388
  193   3HD2  LEU  30          3HD2      LEU  30   4.408  -2.376  11.302
  194    H    ILE  31           H        ILE  31   6.672  -2.097   6.035
  195    HA   ILE  31           HA       ILE  31   9.252  -1.053   7.149
  196    HB   ILE  31           HB       ILE  31   8.649  -2.098   4.352
  197   1HG2  ILE  31          1HG2      ILE  31  10.425  -0.884   3.671
  198   2HG2  ILE  31          2HG2      ILE  31  11.433  -1.746   4.832
  199   3HG2  ILE  31          3HG2      ILE  31  10.636  -0.245   5.302
  200   1HG1  ILE  31          1HG1      ILE  31   9.560  -3.360   6.781
  201   2HG1  ILE  31          2HG1      ILE  31  10.845  -3.411   5.574
  202   1HD1  ILE  31          1HD1      ILE  31   9.522  -5.368   5.204
  203   2HD1  ILE  31          2HD1      ILE  31   9.067  -4.235   3.931
  204   3HD1  ILE  31          3HD1      ILE  31   8.017  -4.457   5.332
  205    H    LYS  32           H        LYS  32   8.932   1.116   7.366
  206    HA   LYS  32           HA       LYS  32   6.908   2.627   6.000
  207   2HB   LYS  32          1HB       LYS  32   8.382   4.540   6.978
  208   1HB   LYS  32          2HB       LYS  32   9.341   3.234   7.673
  209   1HG   LYS  32          1HG       LYS  32   6.378   3.088   8.009
  210   2HG   LYS  32          2HG       LYS  32   7.237   4.300   8.958
  211   2HD   LYS  32          1HD       LYS  32   8.863   2.296   9.497
  212   1HD   LYS  32          2HD       LYS  32   7.481   1.305   9.031
  213   2HE   LYS  32          1HE       LYS  32   6.967   1.571  11.276
  214   1HE   LYS  32          2HE       LYS  32   6.237   3.073  10.676
  215   1HZ   LYS  32          1HZ       LYS  32   8.370   4.184  11.042
  216   2HZ   LYS  32          2HZ       LYS  32   9.039   2.741  11.641
  217   3HZ   LYS  32          3HZ       LYS  32   7.789   3.517  12.490
  218    H    THR  33           H        THR  33   7.179   4.292   4.396
  219    HA   THR  33           HA       THR  33   9.705   4.260   2.789
  220    HB   THR  33           HB       THR  33   6.923   3.961   1.619
  221    HG1  THR  33          1HG       THR  33   7.068   2.047   2.506
  222   1HG2  THR  33          1HG2      THR  33   7.967   3.637  -0.405
  223   2HG2  THR  33          2HG2      THR  33   9.432   2.998   0.334
  224   3HG2  THR  33          3HG2      THR  33   9.123   4.734   0.350
  225    H    TRP  34           H        TRP  34  10.202   6.349   2.035
  226    HA   TRP  34           HA       TRP  34   8.036   8.346   1.744
  227   1HB   TRP  34          1HB       TRP  34   8.546   9.625   3.557
  228   2HB   TRP  34          2HB       TRP  34  10.274   9.392   3.346
  229    HD1  TRP  34           HD       TRP  34   7.390   8.246   5.385
  230    HE3  TRP  34          3HE       TRP  34  12.000   7.272   3.478
  231    HE1  TRP  34          1HE       TRP  34   8.163   6.430   7.040
  232    HZ3  TRP  34          3HZ       TRP  34  13.474   5.573   4.526
  233    HZ2  TRP  34          2HZ       TRP  34  10.472   4.770   7.490
  234    HH2  TRP  34           HH       TRP  34  12.714   4.320   6.525
  235    H    SER  35           H        SER  35   8.947   7.979  -0.514
  236    HA   SER  35           HA       SER  35  11.353   9.721  -0.945
  237   2HB   SER  35          1HB       SER  35  11.088   8.001  -3.141
  238   1HB   SER  35          2HB       SER  35  10.724   6.993  -1.743
  239    HG   SER  35           HG       SER  35  13.093   8.062  -2.528
  240    H    ARG  36           H        ARG  36   9.142   8.317  -3.343
  241    HA   ARG  36           HA       ARG  36   7.597  10.755  -3.746
  242   2HB   ARG  36          1HB       ARG  36   9.313  10.191  -6.104
  243   1HB   ARG  36          2HB       ARG  36  10.153  10.859  -4.705
  244   2HG   ARG  36          1HG       ARG  36   9.022  12.868  -4.817
  245   1HG   ARG  36          2HG       ARG  36   7.568  12.132  -5.491
  246   2HD   ARG  36          1HD       ARG  36   8.546  13.417  -7.278
  247   1HD   ARG  36          2HD       ARG  36   8.966  11.729  -7.626
  248    HE   ARG  36           HE       ARG  36  10.853  13.425  -6.039
  249   1HH1  ARG  36          1HH1      ARG  36  11.619  14.300  -8.534
  250   2HH1  ARG  36          2HH1      ARG  36  12.549  13.030  -9.255
  251   1HH2  ARG  36          1HH2      ARG  36  11.380  10.580  -7.084
  252   2HH2  ARG  36          2HH2      ARG  36  12.414  10.918  -8.433
  253    H    ARG  37           H        ARG  37   8.941   8.195  -5.879
  254    HA   ARG  37           HA       ARG  37   6.147   7.466  -6.672
  255   2HB   ARG  37          1HB       ARG  37   7.377   6.382  -8.590
  256   1HB   ARG  37          2HB       ARG  37   8.885   6.982  -7.901
  257   1HG   ARG  37          1HG       ARG  37   6.950   9.123  -8.060
  258   2HG   ARG  37          2HG       ARG  37   7.128   8.356  -9.638
  259   2HD   ARG  37          1HD       ARG  37   9.695   8.526  -9.178
  260   1HD   ARG  37          2HD       ARG  37   9.231   9.721  -7.952
  261    HE   ARG  37           HE       ARG  37   7.796  10.596 -10.083
  262   1HH1  ARG  37          1HH1      ARG  37   9.690  12.494  -9.990
  263   2HH1  ARG  37          2HH1      ARG  37  10.871  12.156 -11.212
  264   1HH2  ARG  37          1HH2      ARG  37   9.901   8.844 -11.608
  265   2HH2  ARG  37          2HH2      ARG  37  10.990  10.085 -12.130
  266    H    SER  38           H        SER  38   7.339   6.635  -4.131
  267    HA   SER  38           HA       SER  38   8.559   4.237  -3.772
  268   2HB   SER  38          1HB       SER  38   6.702   3.953  -1.939
  269   1HB   SER  38          2HB       SER  38   6.131   5.509  -2.539
  270    HG   SER  38           HG       SER  38   7.995   6.458  -1.977
  271    H    THR  39           H        THR  39   8.324   2.217  -4.576
  272    HA   THR  39           HA       THR  39   5.599   1.256  -5.383
  273    HB   THR  39           HB       THR  39   8.276   1.015  -6.795
  274    HG1  THR  39          1HG       THR  39   7.472   2.779  -7.606
  275   1HG2  THR  39          1HG2      THR  39   7.361  -1.072  -7.258
  276   2HG2  THR  39          2HG2      THR  39   6.659  -0.108  -8.558
  277   3HG2  THR  39          3HG2      THR  39   5.700  -0.488  -7.125
  278    H    ILE  40           H        ILE  40   5.386  -1.118  -5.295
  279    HA   ILE  40           HA       ILE  40   6.877  -2.281  -3.026
  280    HB   ILE  40           HB       ILE  40   4.701  -3.347  -4.855
  281   1HG2  ILE  40          1HG2      ILE  40   4.303  -4.987  -3.052
  282   2HG2  ILE  40          2HG2      ILE  40   5.700  -4.362  -2.179
  283   3HG2  ILE  40          3HG2      ILE  40   5.915  -5.166  -3.733
  284   1HG1  ILE  40          1HG1      ILE  40   4.738  -1.667  -2.393
  285   2HG1  ILE  40          2HG1      ILE  40   3.496  -2.915  -2.481
  286   1HD1  ILE  40          1HD1      ILE  40   3.867  -0.479  -4.157
  287   2HD1  ILE  40          2HD1      ILE  40   2.381  -1.220  -3.569
  288   3HD1  ILE  40          3HD1      ILE  40   3.226  -1.918  -4.953
  289    H    VAL  41           H        VAL  41   7.692  -4.582  -3.260
  290    HA   VAL  41           HA       VAL  41   8.861  -5.230  -5.940
  291    HB   VAL  41           HB       VAL  41  10.799  -5.908  -3.990
  292   1HG1  VAL  41          1HG1      VAL  41  10.920  -3.414  -5.690
  293   2HG1  VAL  41          2HG1      VAL  41  10.936  -5.014  -6.429
  294   3HG1  VAL  41          3HG1      VAL  41  12.212  -4.550  -5.304
  295   1HG2  VAL  41          1HG2      VAL  41   9.997  -2.994  -3.671
  296   2HG2  VAL  41          2HG2      VAL  41  11.274  -3.855  -2.814
  297   3HG2  VAL  41          3HG2      VAL  41   9.587  -4.244  -2.501
  298    HA   PRO  42           HA       PRO  42   8.028  -9.401  -5.052
  299   2HB   PRO  42          1HB       PRO  42   9.452 -10.053  -6.730
  300   1HB   PRO  42          2HB       PRO  42  10.398 -10.719  -5.386
  301   1HG   PRO  42          1HG       PRO  42  11.463  -8.992  -7.085
  302   2HG   PRO  42          2HG       PRO  42  11.834  -8.913  -5.352
  303   2HD   PRO  42          1HD       PRO  42  10.018  -7.199  -6.995
  304   1HD   PRO  42          2HD       PRO  42  11.094  -6.756  -5.650
  305    H    GLU  43           H        GLU  43  10.824  -8.151  -3.290
  306    HA   GLU  43           HA       GLU  43  10.860 -10.227  -1.270
  307   1HB   GLU  43          1HB       GLU  43  12.789  -8.810  -1.833
  308   2HB   GLU  43          2HB       GLU  43  12.378  -8.637  -0.127
  309   2HG   GLU  43          1HG       GLU  43  11.720  -6.465  -0.378
  310   1HG   GLU  43          2HG       GLU  43  11.010  -6.752  -1.964
  311    H    MET  44           H        MET  44   8.554  -7.847  -1.864
  312    HA   MET  44           HA       MET  44   7.903  -7.311   0.983
  313   1HB   MET  44          1HB       MET  44   6.447  -5.632   0.054
  314   2HB   MET  44          2HB       MET  44   6.536  -6.361  -1.545
  315   2HG   MET  44          1HG       MET  44   7.969  -4.370  -1.422
  316   1HG   MET  44          2HG       MET  44   8.946  -5.817  -1.654
  317   1HE   MET  44          1HE       MET  44  11.088  -4.560  -0.921
  318   2HE   MET  44          2HE       MET  44  11.196  -3.550   0.519
  319   3HE   MET  44          3HE       MET  44  10.090  -3.107  -0.777
  320    H    VAL  45           H        VAL  45   7.268  -9.900  -0.922
  321    HA   VAL  45           HA       VAL  45   4.448 -10.179  -1.065
  322    HB   VAL  45           HB       VAL  45   6.720 -12.164  -0.781
  323   1HG1  VAL  45          1HG1      VAL  45   3.787 -12.552  -1.266
  324   2HG1  VAL  45          2HG1      VAL  45   4.904 -13.540  -0.327
  325   3HG1  VAL  45          3HG1      VAL  45   4.935 -13.606  -2.089
  326   1HG2  VAL  45          1HG2      VAL  45   5.185 -11.402  -3.266
  327   2HG2  VAL  45          2HG2      VAL  45   6.765 -12.177  -3.149
  328   3HG2  VAL  45          3HG2      VAL  45   6.583 -10.474  -2.728
  329    H    GLY  46           H        GLY  46   6.106  -9.854   1.832
  330   2HA   GLY  46          1HA       GLY  46   5.443 -11.689   3.680
  331   1HA   GLY  46          2HA       GLY  46   3.850 -11.030   3.309
  332    H    HIS  47           H        HIS  47   4.792  -8.298   2.832
  333    HA   HIS  47           HA       HIS  47   5.298  -7.516   5.673
  334   1HB   HIS  47          1HB       HIS  47   7.106  -6.076   5.007
  335   2HB   HIS  47          2HB       HIS  47   6.748  -6.316   3.300
  336    HD1  HIS  47          1HD       HIS  47   8.433  -7.930   6.226
  337    HD2  HIS  47          2HD       HIS  47   7.602  -8.837   2.242
  338    HE1  HIS  47          1HE       HIS  47   9.826  -9.967   5.647
  339    H    THR  48           H        THR  48   4.489  -5.452   6.217
  340    HA   THR  48           HA       THR  48   2.502  -4.313   4.323
  341    HB   THR  48           HB       THR  48   2.659  -3.282   7.088
  342    HG1  THR  48          1HG       THR  48   2.944  -5.163   7.959
  343   1HG2  THR  48          1HG2      THR  48   0.766  -3.422   5.119
  344   2HG2  THR  48          2HG2      THR  48   0.418  -3.108   6.819
  345   3HG2  THR  48          3HG2      THR  48   0.275  -4.744   6.177
  346    H    ILE  49           H        ILE  49   4.204  -3.266   3.068
  347    HA   ILE  49           HA       ILE  49   5.991  -1.356   4.386
  348    HB   ILE  49           HB       ILE  49   5.393  -2.141   1.526
  349   1HG2  ILE  49          1HG2      ILE  49   6.234   0.205   1.667
  350   2HG2  ILE  49          2HG2      ILE  49   7.389  -0.879   0.894
  351   3HG2  ILE  49          3HG2      ILE  49   7.634  -0.379   2.567
  352   1HG1  ILE  49          1HG1      ILE  49   6.982  -3.207   3.690
  353   2HG1  ILE  49          2HG1      ILE  49   8.031  -2.748   2.349
  354   1HD1  ILE  49          1HD1      ILE  49   5.601  -4.549   2.206
  355   2HD1  ILE  49          2HD1      ILE  49   7.283  -5.050   2.046
  356   3HD1  ILE  49          3HD1      ILE  49   6.546  -4.030   0.811
  357    H    ALA  50           H        ALA  50   5.382   0.676   4.908
  358    HA   ALA  50           HA       ALA  50   2.912   1.815   3.896
  359   1HB   ALA  50          1HB       ALA  50   3.649   2.164   6.184
  360   2HB   ALA  50          2HB       ALA  50   3.595   3.720   5.352
  361   3HB   ALA  50          3HB       ALA  50   5.142   2.912   5.615
  362    H    VAL  51           H        VAL  51   3.512   1.722   1.618
  363    HA   VAL  51           HA       VAL  51   5.696   3.073   0.416
  364    HB   VAL  51           HB       VAL  51   4.326   2.953  -1.612
  365   1HG1  VAL  51          1HG1      VAL  51   4.166   0.642  -1.705
  366   2HG1  VAL  51          2HG1      VAL  51   3.481   0.518  -0.085
  367   3HG1  VAL  51          3HG1      VAL  51   5.203   0.839  -0.291
  368   1HG2  VAL  51          1HG2      VAL  51   2.213   3.813  -0.810
  369   2HG2  VAL  51          2HG2      VAL  51   2.055   2.487   0.344
  370   3HG2  VAL  51          3HG2      VAL  51   1.928   2.169  -1.385
  371    H    TYR  52           H        TYR  52   6.100   5.200  -0.019
  372    HA   TYR  52           HA       TYR  52   4.436   7.272   1.179
  373   2HB   TYR  52          1HB       TYR  52   6.719   7.581  -0.791
  374   1HB   TYR  52          2HB       TYR  52   6.995   7.141   0.893
  375    HD1  TYR  52          1HD       TYR  52   6.627   9.846  -1.368
  376    HE1  TYR  52          1HE       TYR  52   6.483  12.229  -0.700
  377    HE2  TYR  52          2HE       TYR  52   5.660  11.042   3.346
  378    HD2  TYR  52          2HD       TYR  52   5.813   8.657   2.675
  379    HH   TYR  52           HH       TYR  52   5.126  13.264   2.143
  380    H    ASN  53           H        ASN  53   2.455   7.642   0.137
  381    HA   ASN  53           HA       ASN  53   2.186   7.388  -2.759
  382   1HB   ASN  53          1HB       ASN  53   0.488   7.017  -0.787
  383   2HB   ASN  53          2HB       ASN  53  -0.093   7.653  -2.323
  384   1HD2  ASN  53          1HD2      ASN  53  -0.935   9.805  -2.349
  385   2HD2  ASN  53          2HD2      ASN  53  -1.038  10.775  -0.961
  386    H    GLY  54           H        GLY  54   3.727   9.697  -1.034
  387   2HA   GLY  54          1HA       GLY  54   2.837  11.930  -2.810
  388   1HA   GLY  54          2HA       GLY  54   4.545  11.619  -2.479
  389    H    LYS  55           H        LYS  55   2.044  11.179  -0.079
  390    HA   LYS  55           HA       LYS  55   3.252  13.364   1.557
  391   2HB   LYS  55          1HB       LYS  55   1.407  14.510   0.705
  392   1HB   LYS  55          2HB       LYS  55   0.729  13.801   2.168
  393   2HG   LYS  55          1HG       LYS  55   0.038  11.815   0.685
  394   1HG   LYS  55          2HG       LYS  55   0.374  12.878  -0.682
  395   2HD   LYS  55          1HD       LYS  55  -1.531  14.053  -0.351
  396   1HD   LYS  55          2HD       LYS  55  -1.229  14.193   1.382
  397   2HE   LYS  55          1HE       LYS  55  -2.917  12.699   1.688
  398   1HE   LYS  55          2HE       LYS  55  -1.871  11.471   0.947
  399   1HZ   LYS  55          1HZ       LYS  55  -3.917  11.682  -0.311
  400   2HZ   LYS  55          2HZ       LYS  55  -2.627  12.275  -1.242
  401   3HZ   LYS  55          3HZ       LYS  55  -3.692  13.355  -0.476
  402    H    GLN  56           H        GLN  56   1.455  10.330   1.409
  403    HA   GLN  56           HA       GLN  56   1.767  10.050   4.380
  404   1HB   GLN  56          1HB       GLN  56  -0.500  10.235   2.756
  405   2HB   GLN  56          2HB       GLN  56  -0.458   9.769   4.452
  406   1HG   GLN  56          1HG       GLN  56   0.255   7.510   2.798
  407   2HG   GLN  56          2HG       GLN  56  -1.273   8.190   2.260
  408   1HE2  GLN  56          1HE2      GLN  56   0.381   7.268   5.336
  409   2HE2  GLN  56          2HE2      GLN  56  -1.027   6.708   6.095
  410    H    HIS  57           H        HIS  57   2.126   7.937   5.187
  411    HA   HIS  57           HA       HIS  57   3.527   6.104   3.302
  412   1HB   HIS  57          1HB       HIS  57   4.704   5.386   5.194
  413   2HB   HIS  57          2HB       HIS  57   3.364   5.705   6.279
  414    HD1  HIS  57          1HD       HIS  57   4.671   8.353   3.933
  415    HD2  HIS  57          2HD       HIS  57   4.839   7.401   7.983
  416    HE1  HIS  57          1HE       HIS  57   5.689  10.358   5.095
  417    H    VAL  58           H        VAL  58   1.928   4.771   2.379
  418    HA   VAL  58           HA       VAL  58  -0.314   3.790   4.073
  419    HB   VAL  58           HB       VAL  58   0.354   3.401   1.132
  420   1HG1  VAL  58          1HG1      VAL  58  -1.231   1.738   2.221
  421   2HG1  VAL  58          2HG1      VAL  58  -1.914   2.653   0.878
  422   3HG1  VAL  58          3HG1      VAL  58  -2.311   3.095   2.538
  423   1HG2  VAL  58          1HG2      VAL  58  -1.456   5.146   0.836
  424   2HG2  VAL  58          2HG2      VAL  58   0.024   5.758   1.573
  425   3HG2  VAL  58          3HG2      VAL  58  -1.387   5.423   2.576
  426    HA   PRO  59           HA       PRO  59   2.468   0.218   4.756
  427   2HB   PRO  59          1HB       PRO  59   2.170   0.495   7.039
  428   1HB   PRO  59          2HB       PRO  59   0.984  -0.811   6.826
  429   1HG   PRO  59          1HG       PRO  59   0.278   1.529   7.868
  430   2HG   PRO  59          2HG       PRO  59  -0.798   0.666   6.755
  431   2HD   PRO  59          1HD       PRO  59   0.945   3.045   6.259
  432   1HD   PRO  59          2HD       PRO  59  -0.684   2.692   5.643
  433    H    VAL  60           H        VAL  60   1.848  -0.654   2.763
  434    HA   VAL  60           HA       VAL  60  -0.727  -2.134   2.583
  435    HB   VAL  60           HB       VAL  60   1.494  -1.710   0.543
  436   1HG1  VAL  60          1HG1      VAL  60   0.074  -3.607   0.018
  437   2HG1  VAL  60          2HG1      VAL  60  -0.317  -2.265  -1.061
  438   3HG1  VAL  60          3HG1      VAL  60  -1.377  -2.640   0.298
  439   1HG2  VAL  60          1HG2      VAL  60  -1.082  -0.264   0.297
  440   2HG2  VAL  60          2HG2      VAL  60   0.558   0.303  -0.012
  441   3HG2  VAL  60          3HG2      VAL  60  -0.064   0.266   1.635
  442    H    TYR  61           H        TYR  61  -0.682  -4.217   3.388
  443    HA   TYR  61           HA       TYR  61   1.786  -5.757   3.556
  444   2HB   TYR  61          1HB       TYR  61  -1.030  -6.857   3.662
  445   1HB   TYR  61          2HB       TYR  61  -0.362  -5.925   5.005
  446    HD1  TYR  61          1HD       TYR  61   0.641  -7.175   6.696
  447    HE1  TYR  61          1HE       TYR  61   1.895  -9.168   7.460
  448    HE2  TYR  61          2HE       TYR  61   2.021 -10.635   3.419
  449    HD2  TYR  61          2HD       TYR  61   0.781  -8.645   2.661
  450    HH   TYR  61           HH       TYR  61   2.102 -11.792   6.239
  451    H    ILE  62           H        ILE  62   2.684  -6.176   1.566
  452    HA   ILE  62           HA       ILE  62   1.025  -6.776  -0.771
  453    HB   ILE  62           HB       ILE  62   4.015  -6.791  -0.283
  454   1HG2  ILE  62          1HG2      ILE  62   2.669  -6.389  -2.945
  455   2HG2  ILE  62          2HG2      ILE  62   2.991  -8.019  -2.351
  456   3HG2  ILE  62          3HG2      ILE  62   4.323  -6.894  -2.606
  457   1HG1  ILE  62          1HG1      ILE  62   2.075  -4.657  -0.494
  458   2HG1  ILE  62          2HG1      ILE  62   3.222  -4.570  -1.828
  459   1HD1  ILE  62          1HD1      ILE  62   3.813  -3.403   0.446
  460   2HD1  ILE  62          2HD1      ILE  62   5.060  -4.322  -0.394
  461   3HD1  ILE  62          3HD1      ILE  62   4.211  -5.038   0.977
  462    H    THR  63           H        THR  63   0.534  -8.778  -1.497
  463    HA   THR  63           HA       THR  63   1.646 -11.153  -0.092
  464    HB   THR  63           HB       THR  63  -0.248 -12.297  -1.158
  465    HG1  THR  63          1HG       THR  63  -0.962 -11.562  -2.970
  466   1HG2  THR  63          1HG2      THR  63  -0.592 -10.694   0.841
  467   2HG2  THR  63          2HG2      THR  63  -2.022 -11.209  -0.054
  468   3HG2  THR  63          3HG2      THR  63  -1.334  -9.610  -0.337
  469    H    GLU  64           H        GLU  64   1.310 -12.934  -2.381
  470    HA   GLU  64           HA       GLU  64   3.769 -12.191  -3.853
  471   2HB   GLU  64          1HB       GLU  64   2.097 -14.682  -4.215
  472   1HB   GLU  64          2HB       GLU  64   3.112 -14.475  -2.787
  473   2HG   GLU  64          1HG       GLU  64   5.010 -14.863  -3.962
  474   1HG   GLU  64          2HG       GLU  64   4.502 -13.810  -5.281
  475    H    ASN  65           H        ASN  65   0.792 -11.085  -4.329
  476    HA   ASN  65           HA       ASN  65   1.046 -11.152  -7.295
  477   2HB   ASN  65          1HB       ASN  65  -1.683 -11.626  -6.243
  478   1HB   ASN  65          2HB       ASN  65  -0.540 -12.946  -5.995
  479   1HD2  ASN  65          1HD2      ASN  65  -1.084 -10.607  -8.709
  480   2HD2  ASN  65          2HD2      ASN  65  -1.166 -11.804  -9.910
  481    H    MET  66           H        MET  66   1.026  -9.093  -4.888
  482    HA   MET  66           HA       MET  66  -1.046  -7.250  -6.034
  483   2HB   MET  66          1HB       MET  66  -0.967  -6.228  -3.777
  484   1HB   MET  66          2HB       MET  66   0.220  -7.434  -3.287
  485   2HG   MET  66          1HG       MET  66  -1.734  -8.458  -2.563
  486   1HG   MET  66          2HG       MET  66  -1.636  -9.112  -4.197
  487   1HE   MET  66          1HE       MET  66  -4.283  -9.309  -2.840
  488   2HE   MET  66          2HE       MET  66  -5.343  -7.903  -2.774
  489   3HE   MET  66          3HE       MET  66  -3.912  -7.968  -1.748
  490    H    VAL  67           H        VAL  67   2.345  -7.744  -5.469
  491    HA   VAL  67           HA       VAL  67   3.223  -4.979  -5.502
  492    HB   VAL  67           HB       VAL  67   4.557  -6.767  -4.524
  493   1HG1  VAL  67          1HG1      VAL  67   5.629  -8.361  -6.375
  494   2HG1  VAL  67          2HG1      VAL  67   4.120  -8.006  -7.215
  495   3HG1  VAL  67          3HG1      VAL  67   4.085  -8.756  -5.619
  496   1HG2  VAL  67          1HG2      VAL  67   6.686  -6.351  -5.611
  497   2HG2  VAL  67          2HG2      VAL  67   5.740  -4.867  -5.674
  498   3HG2  VAL  67          3HG2      VAL  67   5.880  -5.884  -7.106
  499    H    GLY  68           H        GLY  68   4.680  -4.129  -7.268
  500   2HA   GLY  68          1HA       GLY  68   3.759  -4.998  -9.975
  501   1HA   GLY  68          2HA       GLY  68   5.403  -4.463  -9.649
  502    H    HIS  69           H        HIS  69   3.075  -2.605  -7.914
  503    HA   HIS  69           HA       HIS  69   3.253  -0.494 -10.030
  504   2HB   HIS  69          1HB       HIS  69   0.939   0.093  -9.237
  505   1HB   HIS  69          2HB       HIS  69   0.959  -1.342  -8.221
  506    HD1  HIS  69          1HD       HIS  69  -0.280  -0.339 -11.365
  507    HD2  HIS  69          2HD       HIS  69   1.834  -3.714 -10.104
  508    HE1  HIS  69          1HE       HIS  69  -0.670  -2.126 -13.116
  509    H    LYS  70           H        LYS  70   1.799  -0.352  -6.816
  510    HA   LYS  70           HA       LYS  70   3.897   0.898  -5.378
  511   2HB   LYS  70          1HB       LYS  70   3.902   2.725  -6.867
  512   1HB   LYS  70          2HB       LYS  70   2.884   3.290  -5.546
  513   1HG   LYS  70          1HG       LYS  70   1.523   1.808  -7.727
  514   2HG   LYS  70          2HG       LYS  70   2.122   3.413  -8.129
  515   2HD   LYS  70          1HD       LYS  70   0.963   3.951  -5.749
  516   1HD   LYS  70          2HD       LYS  70  -0.049   2.601  -6.261
  517   1HE   LYS  70          1HE       LYS  70   0.451   4.521  -8.430
  518   2HE   LYS  70          2HE       LYS  70  -0.396   5.242  -7.049
  519   1HZ   LYS  70          1HZ       LYS  70  -1.119   2.661  -8.353
  520   2HZ   LYS  70          2HZ       LYS  70  -1.920   4.134  -8.621
  521   3HZ   LYS  70          3HZ       LYS  70  -1.959   3.412  -7.084
  522    H    LEU  71           H        LEU  71   0.529   0.652  -6.002
  523    HA   LEU  71           HA       LEU  71  -0.339  -0.182  -3.449
  524   1HB   LEU  71          1HB       LEU  71   0.498   2.305  -3.111
  525   2HB   LEU  71          2HB       LEU  71  -0.973   1.764  -2.317
  526    HG   LEU  71           HG       LEU  71  -1.336   2.852  -5.052
  527   1HD1  LEU  71          1HD1      LEU  71  -3.339   2.371  -3.940
  528   2HD1  LEU  71          2HD1      LEU  71  -3.152   4.095  -3.619
  529   3HD1  LEU  71          3HD1      LEU  71  -2.718   2.917  -2.382
  530   1HD2  LEU  71          1HD2      LEU  71  -0.989   5.131  -4.485
  531   2HD2  LEU  71          2HD2      LEU  71   0.445   4.305  -3.874
  532   3HD2  LEU  71          3HD2      LEU  71  -0.847   4.765  -2.765
  533    H    GLY  72           H        GLY  72  -1.030   1.126  -6.613
  534   2HA   GLY  72          1HA       GLY  72  -2.964   1.162  -7.925
  535   1HA   GLY  72          2HA       GLY  72  -3.911   1.130  -6.439
  536    H    GLU  73           H        GLU  73  -1.589  -1.398  -6.712
  537    HA   GLU  73           HA       GLU  73  -3.391  -3.308  -8.062
  538   2HB   GLU  73          1HB       GLU  73  -1.413  -4.830  -7.146
  539   1HB   GLU  73          2HB       GLU  73  -0.628  -3.271  -6.886
  540   2HG   GLU  73          1HG       GLU  73  -0.014  -4.033  -9.082
  541   1HG   GLU  73          2HG       GLU  73  -1.160  -2.708  -9.288
  542    H    PHE  74           H        PHE  74  -2.647  -2.204  -4.882
  543    HA   PHE  74           HA       PHE  74  -3.892  -4.541  -3.542
  544   1HB   PHE  74          1HB       PHE  74  -3.007  -3.533  -1.545
  545   2HB   PHE  74          2HB       PHE  74  -2.808  -1.977  -2.341
  546    HD1  PHE  74          1HD       PHE  74  -1.314  -5.235  -1.696
  547    HE1  PHE  74          1HE       PHE  74   1.026  -5.789  -2.246
  548    HZ   PHE  74           HZ       PHE  74   2.333  -4.321  -3.743
  549    HE2  PHE  74          2HE       PHE  74   1.301  -2.281  -4.685
  550    HD2  PHE  74          2HD       PHE  74  -1.030  -1.703  -4.127
  551    H    ALA  75           H        ALA  75  -4.562  -1.289  -4.615
  552    HA   ALA  75           HA       ALA  75  -7.287  -1.445  -3.381
  553   1HB   ALA  75          1HB       ALA  75  -5.977   0.060  -2.031
  554   2HB   ALA  75          2HB       ALA  75  -6.977   1.077  -3.068
  555   3HB   ALA  75          3HB       ALA  75  -5.275   0.823  -3.457
  556    HA   PRO  76           HA       PRO  76  -7.241  -0.224  -7.902
  557   2HB   PRO  76          1HB       PRO  76  -6.210  -2.100  -8.774
  558   1HB   PRO  76          2HB       PRO  76  -7.877  -2.608  -9.086
  559   1HG   PRO  76          1HG       PRO  76  -6.068  -3.960  -7.511
  560   2HG   PRO  76          2HG       PRO  76  -7.825  -4.135  -7.420
  561   2HD   PRO  76          1HD       PRO  76  -6.021  -3.012  -5.483
  562   1HD   PRO  76          2HD       PRO  76  -7.770  -3.273  -5.340
  563    H    THR  77           H        THR  77  -9.218   0.228  -6.049
  564    HA   THR  77           HA       THR  77 -11.732  -1.104  -6.621
  565    HB   THR  77           HB       THR  77 -11.140   1.606  -5.381
  566    HG1  THR  77          1HG       THR  77 -11.363  -0.978  -4.228
  567   1HG2  THR  77          1HG2      THR  77 -13.288   1.098  -4.144
  568   2HG2  THR  77          2HG2      THR  77 -13.532  -0.247  -5.258
  569   3HG2  THR  77          3HG2      THR  77 -13.489   1.407  -5.868
  570    H    ARG  78           H        ARG  78 -13.184  -0.654  -8.244
  571    HA   ARG  78           HA       ARG  78 -12.535   1.533 -10.157
  572   2HB   ARG  78          1HB       ARG  78 -14.659   0.114 -11.173
  573   1HB   ARG  78          2HB       ARG  78 -13.882  -1.100 -10.160
  574   1HG   ARG  78          1HG       ARG  78 -12.272   0.599 -12.065
  575   2HG   ARG  78          2HG       ARG  78 -13.077  -0.868 -12.619
  576   1HD   ARG  78          1HD       ARG  78 -11.313  -0.936 -10.166
  577   2HD   ARG  78          2HD       ARG  78 -10.613  -1.075 -11.790
  578    HE   ARG  78           HE       ARG  78 -12.320  -2.975 -12.117
  579   1HH1  ARG  78          1HH1      ARG  78 -10.018  -3.892 -10.460
  580   2HH1  ARG  78          2HH1      ARG  78 -10.803  -4.585  -9.080
  581   1HH2  ARG  78          1HH2      ARG  78 -13.855  -3.051  -9.711
  582   2HH2  ARG  78          2HH2      ARG  78 -12.979  -4.108  -8.655
  583    H    THR  79           H        THR  79 -14.731   2.465 -11.172
  584    HA   THR  79           HA       THR  79 -16.063   3.952  -9.051
  585    HB   THR  79           HB       THR  79 -17.345   4.851 -11.055
  586    HG1  THR  79          1HG       THR  79 -17.355   3.406 -12.598
  587   1HG2  THR  79          1HG2      THR  79 -15.433   6.027 -11.970
  588   2HG2  THR  79          2HG2      THR  79 -14.336   4.767 -11.402
  589   3HG2  THR  79          3HG2      THR  79 -15.170   5.800 -10.241
  590    H    TYR  80           H        TYR  80 -18.275   3.806  -8.441
  591    HA   TYR  80           HA       TYR  80 -20.268   2.671  -7.888
  592   2HB   TYR  80          1HB       TYR  80 -21.339   1.597  -9.906
  593   1HB   TYR  80          2HB       TYR  80 -19.833   1.860 -10.782
  594    HD1  TYR  80          1HD       TYR  80 -22.558   3.607  -8.925
  595    HE1  TYR  80          1HE       TYR  80 -23.258   5.932  -9.428
  596    HE2  TYR  80          2HE       TYR  80 -20.017   6.306 -12.222
  597    HD2  TYR  80          2HD       TYR  80 -19.317   3.980 -11.721
  598    HH   TYR  80           HH       TYR  80 -21.609   8.149 -10.534

  No H/Q in entry =         598
  Start of MODEL    3
    1    H    GLY   8           H        GLY   8   4.925   0.001 -10.363
    2   2HA   GLY   8          1HA       GLY   8   5.651   2.278 -10.015
    3   1HA   GLY   8          2HA       GLY   8   4.770   2.380 -11.539
    4    H    VAL   9           H        VAL   9   7.132   3.942 -10.614
    5    HA   VAL   9           HA       VAL   9   8.922   3.336 -12.931
    6    HB   VAL   9           HB       VAL   9   7.666   5.507 -12.830
    7   1HG1  VAL   9          1HG1      VAL   9   9.470   6.032 -10.447
    8   2HG1  VAL   9          2HG1      VAL   9   7.722   5.805 -10.375
    9   3HG1  VAL   9          3HG1      VAL   9   8.396   7.207 -11.205
   10   1HG2  VAL   9          1HG2      VAL   9  10.679   5.774 -12.593
   11   2HG2  VAL   9          2HG2      VAL   9   9.596   6.906 -13.400
   12   3HG2  VAL   9          3HG2      VAL   9   9.820   5.284 -14.053
   13    H    PHE  10           H        PHE  10   8.927   3.982  -9.449
   14    HA   PHE  10           HA       PHE  10  11.723   2.962  -9.325
   15   2HB   PHE  10          1HB       PHE  10  10.658   5.653  -8.792
   16   1HB   PHE  10          2HB       PHE  10  12.306   5.152  -9.124
   17    HD1  PHE  10          1HD       PHE  10   9.786   5.686  -6.494
   18    HE1  PHE  10          1HE       PHE  10  10.341   5.983  -4.101
   19    HZ   PHE  10           HZ       PHE  10  12.656   5.568  -3.297
   20    HE2  PHE  10          2HE       PHE  10  14.408   4.856  -4.905
   21    HD2  PHE  10          2HD       PHE  10  13.854   4.559  -7.302
   22    H    VAL  11           H        VAL  11  12.073   1.666  -7.541
   23    HA   VAL  11           HA       VAL  11   9.780   1.277  -5.664
   24    HB   VAL  11           HB       VAL  11  10.551  -0.653  -7.058
   25   1HG1  VAL  11          1HG1      VAL  11  12.716  -1.429  -7.099
   26   2HG1  VAL  11          2HG1      VAL  11  13.055  -0.887  -5.456
   27   3HG1  VAL  11          3HG1      VAL  11  13.057   0.271  -6.784
   28   1HG2  VAL  11          1HG2      VAL  11   9.640  -1.631  -5.220
   29   2HG2  VAL  11          2HG2      VAL  11  10.535  -0.596  -4.105
   30   3HG2  VAL  11          3HG2      VAL  11  11.312  -2.015  -4.807
   31    H    ASP  12           H        ASP  12  10.098   2.458  -3.819
   32    HA   ASP  12           HA       ASP  12  12.297   3.803  -2.931
   33   2HB   ASP  12          1HB       ASP  12  10.434   2.221  -1.148
   34   1HB   ASP  12          2HB       ASP  12  10.013   3.748  -1.923
   35    H    ASP  13           H        ASP  13  14.363   3.110  -2.785
   36    HA   ASP  13           HA       ASP  13  15.164   0.415  -2.213
   37   2HB   ASP  13          1HB       ASP  13  16.833   2.912  -1.906
   38   1HB   ASP  13          2HB       ASP  13  16.336   2.341  -3.501
   39    H    HIS  14           H        HIS  14  14.418   3.235  -0.318
   40    HA   HIS  14           HA       HIS  14  15.808   2.574   2.100
   41   2HB   HIS  14          1HB       HIS  14  13.253   4.035   2.296
   42   1HB   HIS  14          2HB       HIS  14  14.331   4.660   1.047
   43    HD1  HIS  14          1HD       HIS  14  17.015   4.724   2.097
   44    HD2  HIS  14          2HD       HIS  14  13.798   5.269   4.692
   45    HE1  HIS  14          1HE       HIS  14  17.940   5.881   4.152
   46    H    LEU  15           H        LEU  15  12.771   1.499   0.697
   47    HA   LEU  15           HA       LEU  15  11.733   0.326   3.173
   48   1HB   LEU  15          1HB       LEU  15  10.735   1.151   0.718
   49   2HB   LEU  15          2HB       LEU  15   9.836   0.215   1.903
   50    HG   LEU  15           HG       LEU  15  11.584  -1.164  -0.132
   51   1HD1  LEU  15          1HD1      LEU  15   8.976  -2.223   0.827
   52   2HD1  LEU  15          2HD1      LEU  15  10.265  -2.129   2.025
   53   3HD1  LEU  15          3HD1      LEU  15  10.498  -3.068   0.551
   54   1HD2  LEU  15          1HD2      LEU  15   9.682  -1.306  -1.637
   55   2HD2  LEU  15          2HD2      LEU  15  10.006   0.394  -1.304
   56   3HD2  LEU  15          3HD2      LEU  15   8.667  -0.422  -0.497
   57    H    LEU  16           H        LEU  16  13.497  -0.683   0.305
   58    HA   LEU  16           HA       LEU  16  13.493  -3.516   0.734
   59   2HB   LEU  16          1HB       LEU  16  15.706  -3.177  -0.654
   60   1HB   LEU  16          2HB       LEU  16  15.146  -1.505  -0.750
   61    HG   LEU  16           HG       LEU  16  12.877  -3.087  -1.228
   62   1HD1  LEU  16          1HD1      LEU  16  14.491  -1.982  -3.493
   63   2HD1  LEU  16          2HD1      LEU  16  13.951  -0.870  -2.234
   64   3HD1  LEU  16          3HD1      LEU  16  12.768  -1.805  -3.151
   65   1HD2  LEU  16          1HD2      LEU  16  13.616  -4.517  -3.107
   66   2HD2  LEU  16          2HD2      LEU  16  14.366  -5.004  -1.586
   67   3HD2  LEU  16          3HD2      LEU  16  15.292  -4.082  -2.770
   68    H    GLU  17           H        GLU  17  15.797  -0.946   1.646
   69    HA   GLU  17           HA       GLU  17  17.798  -2.475   2.908
   70   1HB   GLU  17          1HB       GLU  17  17.134   0.190   2.575
   71   2HB   GLU  17          2HB       GLU  17  18.532  -0.396   3.470
   72   2HG   GLU  17          1HG       GLU  17  17.312  -0.320   5.557
   73   1HG   GLU  17          2HG       GLU  17  15.806   0.042   4.716
   74    H    LYS  18           H        LYS  18  14.504  -1.912   3.951
   75    HA   LYS  18           HA       LYS  18  15.073  -3.018   6.667
   76   2HB   LYS  18          1HB       LYS  18  12.602  -2.250   6.911
   77   1HB   LYS  18          2HB       LYS  18  12.845  -1.455   5.359
   78   2HG   LYS  18          1HG       LYS  18  15.097  -0.706   6.782
   79   1HG   LYS  18          2HG       LYS  18  13.842  -0.712   8.021
   80   1HD   LYS  18          1HD       LYS  18  12.769   0.480   5.642
   81   2HD   LYS  18          2HD       LYS  18  14.313   1.251   6.003
   82   2HE   LYS  18          1HE       LYS  18  13.218   2.477   7.575
   83   1HE   LYS  18          2HE       LYS  18  13.001   0.978   8.497
   84   1HZ   LYS  18          1HZ       LYS  18  10.883   2.113   7.878
   85   2HZ   LYS  18          2HZ       LYS  18  10.996   0.521   7.298
   86   3HZ   LYS  18          3HZ       LYS  18  11.246   1.832   6.246
   87    H    VAL  19           H        VAL  19  13.141  -3.577   3.714
   88    HA   VAL  19           HA       VAL  19  11.690  -5.860   4.730
   89    HB   VAL  19           HB       VAL  19  11.369  -4.225   2.670
   90   1HG1  VAL  19          1HG1      VAL  19  12.749  -6.600   1.394
   91   2HG1  VAL  19          2HG1      VAL  19  13.457  -4.992   1.551
   92   3HG1  VAL  19          3HG1      VAL  19  12.022  -5.230   0.552
   93   1HG2  VAL  19          1HG2      VAL  19  10.302  -6.564   1.614
   94   2HG2  VAL  19          2HG2      VAL  19   9.524  -5.524   2.809
   95   3HG2  VAL  19          3HG2      VAL  19  10.468  -6.922   3.336
   96    H    LEU  20           H        LEU  20  14.711  -5.548   2.837
   97    HA   LEU  20           HA       LEU  20  15.151  -8.378   2.419
   98   1HB   LEU  20          1HB       LEU  20  17.418  -7.703   1.899
   99   2HB   LEU  20          2HB       LEU  20  17.269  -6.242   2.873
  100    HG   LEU  20           HG       LEU  20  15.353  -5.627   1.243
  101   1HD1  LEU  20          1HD1      LEU  20  16.956  -4.552  -0.263
  102   2HD1  LEU  20          2HD1      LEU  20  18.217  -5.674   0.250
  103   3HD1  LEU  20          3HD1      LEU  20  17.564  -4.499   1.392
  104   1HD2  LEU  20          1HD2      LEU  20  16.024  -8.142   0.211
  105   2HD2  LEU  20          2HD2      LEU  20  16.729  -6.999  -0.931
  106   3HD2  LEU  20          3HD2      LEU  20  15.003  -6.934  -0.570
  107    H    GLU  21           H        GLU  21  15.856  -6.055   4.921
  108    HA   GLU  21           HA       GLU  21  17.395  -7.713   6.677
  109   2HB   GLU  21          1HB       GLU  21  15.677  -5.750   7.975
  110   1HB   GLU  21          2HB       GLU  21  16.435  -5.090   6.528
  111   1HG   GLU  21          1HG       GLU  21  18.379  -6.629   7.993
  112   2HG   GLU  21          2HG       GLU  21  17.615  -5.476   9.086
  113    H    LEU  22           H        LEU  22  13.881  -7.228   6.249
  114    HA   LEU  22           HA       LEU  22  13.164  -8.812   8.615
  115   2HB   LEU  22          1HB       LEU  22  10.943  -8.694   6.995
  116   1HB   LEU  22          2HB       LEU  22  11.863  -7.305   6.420
  117    HG   LEU  22           HG       LEU  22  10.318  -6.691   8.260
  118   1HD1  LEU  22          1HD1      LEU  22  10.022  -8.149   9.945
  119   2HD1  LEU  22          2HD1      LEU  22  11.644  -7.755  10.514
  120   3HD1  LEU  22          3HD1      LEU  22  11.401  -9.109   9.412
  121   1HD2  LEU  22          1HD2      LEU  22  12.132  -5.750   9.829
  122   2HD2  LEU  22          2HD2      LEU  22  12.234  -5.296   8.129
  123   3HD2  LEU  22          3HD2      LEU  22  13.294  -6.551   8.770
  124    H    ASN  23           H        ASN  23  13.768  -9.412   5.210
  125    HA   ASN  23           HA       ASN  23  12.613 -12.120   5.239
  126   2HB   ASN  23          1HB       ASN  23  13.963 -12.042   2.959
  127   1HB   ASN  23          2HB       ASN  23  14.074 -10.320   3.324
  128   1HD2  ASN  23          1HD2      ASN  23  12.277  -9.072   2.721
  129   2HD2  ASN  23          2HD2      ASN  23  10.750  -9.703   2.335
  130    H    ALA  24           H        ALA  24  15.562 -10.679   6.239
  131    HA   ALA  24           HA       ALA  24  17.261 -12.990   5.745
  132   1HB   ALA  24          1HB       ALA  24  18.039 -10.632   5.635
  133   2HB   ALA  24          2HB       ALA  24  18.934 -11.555   6.841
  134   3HB   ALA  24          3HB       ALA  24  17.655 -10.451   7.346
  135    H    LYS  25           H        LYS  25  15.511 -11.481   8.437
  136    HA   LYS  25           HA       LYS  25  16.566 -13.445  10.380
  137   1HB   LYS  25          1HB       LYS  25  15.355 -12.075  11.982
  138   2HB   LYS  25          2HB       LYS  25  14.436 -11.305  10.690
  139   1HG   LYS  25          1HG       LYS  25  16.345  -9.914  11.602
  140   2HG   LYS  25          2HG       LYS  25  16.394 -10.179   9.861
  141   2HD   LYS  25          1HD       LYS  25  17.835 -12.305  10.608
  142   1HD   LYS  25          2HD       LYS  25  18.165 -11.277  12.003
  143   2HE   LYS  25          1HE       LYS  25  19.430  -9.812  10.763
  144   1HE   LYS  25          2HE       LYS  25  18.367  -9.945   9.349
  145   1HZ   LYS  25          1HZ       LYS  25  20.489 -11.039   8.937
  146   2HZ   LYS  25          2HZ       LYS  25  19.241 -12.190   8.984
  147   3HZ   LYS  25          3HZ       LYS  25  20.287 -12.011  10.311
  148    H    GLY  26           H        GLY  26  13.910 -13.095   8.224
  149   2HA   GLY  26          1HA       GLY  26  12.693 -15.583   9.250
  150   1HA   GLY  26          2HA       GLY  26  12.291 -14.780   7.730
  151    H    GLU  27           H        GLU  27  12.086 -12.135   9.177
  152    HA   GLU  27           HA       GLU  27   9.574 -12.611  10.736
  153   2HB   GLU  27          1HB       GLU  27  10.193 -10.125  11.377
  154   1HB   GLU  27          2HB       GLU  27  11.775 -10.563  10.732
  155   2HG   GLU  27          1HG       GLU  27  12.031 -11.186  12.958
  156   1HG   GLU  27          2HG       GLU  27  11.448 -12.700  12.264
  157    H    LYS  28           H        LYS  28   7.663 -11.701  10.004
  158    HA   LYS  28           HA       LYS  28   7.780 -10.139   7.450
  159   2HB   LYS  28          1HB       LYS  28   5.288 -11.009   7.480
  160   1HB   LYS  28          2HB       LYS  28   5.902 -12.142   8.681
  161   2HG   LYS  28          1HG       LYS  28   7.422 -13.114   7.154
  162   1HG   LYS  28          2HG       LYS  28   7.316 -11.747   6.044
  163   2HD   LYS  28          1HD       LYS  28   4.931 -12.348   5.606
  164   1HD   LYS  28          2HD       LYS  28   5.131 -13.768   6.634
  165   2HE   LYS  28          1HE       LYS  28   6.759 -14.723   5.131
  166   1HE   LYS  28          2HE       LYS  28   6.869 -13.214   4.203
  167   1HZ   LYS  28          1HZ       LYS  28   5.367 -14.786   3.128
  168   2HZ   LYS  28          2HZ       LYS  28   4.500 -13.435   3.685
  169   3HZ   LYS  28          3HZ       LYS  28   4.435 -14.901   4.541
  170    H    ARG  29           H        ARG  29   8.060  -8.088   8.583
  171    HA   ARG  29           HA       ARG  29   5.701  -7.224  10.221
  172   2HB   ARG  29          1HB       ARG  29   8.186  -5.618  10.218
  173   1HB   ARG  29          2HB       ARG  29   8.384  -7.264  10.806
  174   1HG   ARG  29          1HG       ARG  29   5.969  -6.203  11.920
  175   2HG   ARG  29          2HG       ARG  29   7.261  -5.033  12.184
  176   1HD   ARG  29          1HD       ARG  29   7.854  -7.927  12.719
  177   2HD   ARG  29          2HD       ARG  29   6.885  -7.030  13.904
  178    HE   ARG  29           HE       ARG  29   8.763  -5.524  14.221
  179   1HH1  ARG  29          1HH1      ARG  29  10.157  -8.223  14.254
  180   2HH1  ARG  29          2HH1      ARG  29  11.494  -7.931  13.192
  181   1HH2  ARG  29          1HH2      ARG  29  10.125  -5.043  11.829
  182   2HH2  ARG  29          2HH2      ARG  29  11.476  -6.127  11.817
  183    H    LEU  30           H        LEU  30   6.422  -4.414   9.975
  184    HA   LEU  30           HA       LEU  30   5.588  -3.946   7.140
  185   1HB   LEU  30          1HB       LEU  30   4.169  -3.423   9.315
  186   2HB   LEU  30          2HB       LEU  30   4.170  -2.288   7.974
  187    HG   LEU  30           HG       LEU  30   6.393  -1.590   9.569
  188   1HD1  LEU  30          1HD1      LEU  30   4.893   0.422  10.058
  189   2HD1  LEU  30          2HD1      LEU  30   3.647  -0.412   9.130
  190   3HD1  LEU  30          3HD1      LEU  30   5.163   0.050   8.355
  191   1HD2  LEU  30          1HD2      LEU  30   5.323  -1.191  11.764
  192   2HD2  LEU  30          2HD2      LEU  30   5.393  -2.915  11.396
  193   3HD2  LEU  30          3HD2      LEU  30   3.877  -2.033  11.206
  194    H    ILE  31           H        ILE  31   6.493  -2.070   6.067
  195    HA   ILE  31           HA       ILE  31   9.024  -0.993   7.258
  196    HB   ILE  31           HB       ILE  31   8.469  -2.046   4.460
  197   1HG2  ILE  31          1HG2      ILE  31  11.056  -0.852   5.488
  198   2HG2  ILE  31          2HG2      ILE  31   9.885   0.071   4.551
  199   3HG2  ILE  31          3HG2      ILE  31  10.678  -1.332   3.832
  200   2HG1  ILE  31          1HG1      ILE  31   9.420  -3.258   6.835
  201   1HG1  ILE  31          2HG1      ILE  31  10.824  -3.061   5.786
  202   1HD1  ILE  31          1HD1      ILE  31   9.850  -5.173   5.214
  203   2HD1  ILE  31          2HD1      ILE  31   9.399  -4.061   3.922
  204   3HD1  ILE  31          3HD1      ILE  31   8.227  -4.486   5.168
  205    H    LYS  32           H        LYS  32   8.875   1.206   7.374
  206    HA   LYS  32           HA       LYS  32   6.789   2.661   5.895
  207   2HB   LYS  32          1HB       LYS  32   7.848   4.573   7.254
  208   1HB   LYS  32          2HB       LYS  32   8.888   3.339   7.965
  209   1HG   LYS  32          1HG       LYS  32   6.001   2.679   7.913
  210   2HG   LYS  32          2HG       LYS  32   6.439   4.027   8.961
  211   1HD   LYS  32          1HD       LYS  32   7.840   1.338   9.018
  212   2HD   LYS  32          2HD       LYS  32   6.501   1.760  10.084
  213   2HE   LYS  32          1HE       LYS  32   7.839   3.048  11.412
  214   1HE   LYS  32          2HE       LYS  32   8.645   3.793  10.017
  215   1HZ   LYS  32          1HZ       LYS  32   9.837   1.673   9.691
  216   2HZ   LYS  32          2HZ       LYS  32   9.120   1.056  11.103
  217   3HZ   LYS  32          3HZ       LYS  32  10.192   2.372  11.195
  218    H    THR  33           H        THR  33   7.248   4.486   4.493
  219    HA   THR  33           HA       THR  33  10.019   4.591   3.345
  220    HB   THR  33           HB       THR  33   7.346   4.211   1.969
  221    HG1  THR  33          1HG       THR  33   9.787   2.764   1.963
  222   1HG2  THR  33          1HG2      THR  33   8.288   5.686   0.467
  223   2HG2  THR  33          2HG2      THR  33   9.028   4.186  -0.089
  224   3HG2  THR  33          3HG2      THR  33   9.936   5.284   0.946
  225    H    TRP  34           H        TRP  34  10.455   6.661   2.205
  226    HA   TRP  34           HA       TRP  34   8.469   8.849   2.654
  227   1HB   TRP  34          1HB       TRP  34  10.222  10.190   3.765
  228   2HB   TRP  34          2HB       TRP  34  11.353   8.849   3.602
  229    HD1  TRP  34           HD       TRP  34   8.183   9.883   5.460
  230    HE3  TRP  34          3HE       TRP  34  11.922   6.544   4.576
  231    HE1  TRP  34          1HE       TRP  34   7.900   8.357   7.520
  232    HZ3  TRP  34          3HZ       TRP  34  12.349   4.674   6.149
  233    HZ2  TRP  34          2HZ       TRP  34   9.120   6.016   8.645
  234    HH2  TRP  34           HH       TRP  34  10.950   4.406   8.180
  235    H    SER  35           H        SER  35   9.652   7.517   0.179
  236    HA   SER  35           HA       SER  35  11.428   9.593  -0.942
  237   2HB   SER  35          1HB       SER  35  11.901   7.308  -1.490
  238   1HB   SER  35          2HB       SER  35  11.261   8.038  -2.958
  239    HG   SER  35           HG       SER  35  10.366   5.909  -1.952
  240    H    ARG  36           H        ARG  36   8.983   8.240  -3.058
  241    HA   ARG  36           HA       ARG  36   7.094  10.444  -2.907
  242   2HB   ARG  36          1HB       ARG  36   8.305  10.728  -5.508
  243   1HB   ARG  36          2HB       ARG  36   9.558  10.860  -4.275
  244   2HG   ARG  36          1HG       ARG  36   8.552  12.721  -3.273
  245   1HG   ARG  36          2HG       ARG  36   6.960  12.335  -3.927
  246   2HD   ARG  36          1HD       ARG  36   8.326  12.707  -6.246
  247   1HD   ARG  36          2HD       ARG  36   9.217  13.815  -5.183
  248    HE   ARG  36           HE       ARG  36   7.111  14.979  -4.740
  249   1HH1  ARG  36          1HH1      ARG  36   5.083  12.897  -4.950
  250   2HH1  ARG  36          2HH1      ARG  36   4.377  13.164  -6.508
  251   1HH2  ARG  36          1HH2      ARG  36   7.009  15.123  -7.658
  252   2HH2  ARG  36          2HH2      ARG  36   5.470  14.428  -8.047
  253    H    ARG  37           H        ARG  37   8.501   8.562  -5.625
  254    HA   ARG  37           HA       ARG  37   5.764   7.564  -6.287
  255   1HB   ARG  37          1HB       ARG  37   7.084   8.709  -8.033
  256   2HB   ARG  37          2HB       ARG  37   6.833   7.019  -8.464
  257   2HG   ARG  37          1HG       ARG  37   9.056   6.662  -8.525
  258   1HG   ARG  37          2HG       ARG  37   9.233   7.267  -6.879
  259   2HD   ARG  37          1HD       ARG  37   9.477   9.537  -7.654
  260   1HD   ARG  37          2HD       ARG  37   9.004   9.082  -9.304
  261    HE   ARG  37           HE       ARG  37  11.099   7.668  -9.348
  262   1HH1  ARG  37          1HH1      ARG  37  11.397   8.223  -6.262
  263   2HH1  ARG  37          2HH1      ARG  37  12.791   9.249  -6.292
  264   1HH2  ARG  37          1HH2      ARG  37  12.621   9.831  -9.714
  265   2HH2  ARG  37          2HH2      ARG  37  13.487  10.161  -8.249
  266    H    SER  38           H        SER  38   6.905   6.440  -4.012
  267    HA   SER  38           HA       SER  38   8.515   4.180  -4.136
  268   2HB   SER  38          1HB       SER  38   6.747   3.496  -2.241
  269   1HB   SER  38          2HB       SER  38   6.219   5.161  -2.502
  270    HG   SER  38           HG       SER  38   8.079   5.913  -1.817
  271    H    THR  39           H        THR  39   8.276   2.081  -4.794
  272    HA   THR  39           HA       THR  39   5.584   1.134  -5.693
  273    HB   THR  39           HB       THR  39   8.270   0.846  -7.081
  274    HG1  THR  39          1HG       THR  39   5.852   2.128  -7.840
  275   1HG2  THR  39          1HG2      THR  39   5.625  -0.520  -7.445
  276   2HG2  THR  39          2HG2      THR  39   7.257  -1.176  -7.608
  277   3HG2  THR  39          3HG2      THR  39   6.588  -0.149  -8.877
  278    H    ILE  40           H        ILE  40   5.404  -1.262  -5.622
  279    HA   ILE  40           HA       ILE  40   6.966  -2.377  -3.360
  280    HB   ILE  40           HB       ILE  40   4.646  -3.428  -5.005
  281   1HG2  ILE  40          1HG2      ILE  40   4.327  -4.977  -3.094
  282   2HG2  ILE  40          2HG2      ILE  40   5.837  -4.401  -2.398
  283   3HG2  ILE  40          3HG2      ILE  40   5.844  -5.263  -3.936
  284   1HG1  ILE  40          1HG1      ILE  40   4.892  -1.724  -2.559
  285   2HG1  ILE  40          2HG1      ILE  40   3.576  -2.895  -2.614
  286   1HD1  ILE  40          1HD1      ILE  40   4.036  -0.471  -4.285
  287   2HD1  ILE  40          2HD1      ILE  40   2.528  -1.128  -3.651
  288   3HD1  ILE  40          3HD1      ILE  40   3.283  -1.863  -5.069
  289    H    VAL  41           H        VAL  41   7.706  -4.690  -3.557
  290    HA   VAL  41           HA       VAL  41   8.652  -5.511  -6.274
  291    HB   VAL  41           HB       VAL  41  10.814  -6.126  -4.727
  292   1HG1  VAL  41          1HG1      VAL  41  11.831  -3.998  -5.660
  293   2HG1  VAL  41          2HG1      VAL  41  10.219  -3.562  -6.227
  294   3HG1  VAL  41          3HG1      VAL  41  11.009  -5.012  -6.845
  295   1HG2  VAL  41          1HG2      VAL  41   9.780  -3.478  -3.655
  296   2HG2  VAL  41          2HG2      VAL  41  11.360  -4.184  -3.313
  297   3HG2  VAL  41          3HG2      VAL  41   9.895  -4.981  -2.740
  298    HA   PRO  42           HA       PRO  42   7.797  -9.583  -5.019
  299   2HB   PRO  42          1HB       PRO  42   9.027 -10.406  -6.784
  300   1HB   PRO  42          2HB       PRO  42  10.102 -10.986  -5.495
  301   1HG   PRO  42          1HG       PRO  42  11.017  -9.423  -7.422
  302   2HG   PRO  42          2HG       PRO  42  11.547  -9.192  -5.746
  303   2HD   PRO  42          1HD       PRO  42   9.556  -7.629  -7.349
  304   1HD   PRO  42          2HD       PRO  42  10.790  -7.053  -6.204
  305    H    GLU  43           H        GLU  43  10.768  -8.246  -3.701
  306    HA   GLU  43           HA       GLU  43  11.137 -10.052  -1.509
  307   2HB   GLU  43          1HB       GLU  43  12.071  -7.496  -0.789
  308   1HB   GLU  43          2HB       GLU  43  12.180  -7.545  -2.548
  309   2HG   GLU  43          1HG       GLU  43  14.250  -8.410  -1.660
  310   1HG   GLU  43          2HG       GLU  43  13.347  -9.770  -2.327
  311    H    MET  44           H        MET  44   8.710  -7.670  -2.089
  312    HA   MET  44           HA       MET  44   8.184  -7.227   0.807
  313   2HB   MET  44          1HB       MET  44   6.425  -5.662  -0.297
  314   1HB   MET  44          2HB       MET  44   7.275  -6.015  -1.801
  315   2HG   MET  44          1HG       MET  44   9.416  -5.409  -0.401
  316   1HG   MET  44          2HG       MET  44   8.271  -4.579   0.648
  317   1HE   MET  44          1HE       MET  44   6.101  -3.100  -0.994
  318   2HE   MET  44          2HE       MET  44   7.033  -1.613  -1.120
  319   3HE   MET  44          3HE       MET  44   7.171  -2.610   0.323
  320    H    VAL  45           H        VAL  45   7.507  -9.696  -1.155
  321    HA   VAL  45           HA       VAL  45   4.686 -10.013  -1.249
  322    HB   VAL  45           HB       VAL  45   6.275 -11.297  -2.568
  323   1HG1  VAL  45          1HG1      VAL  45   8.161 -11.428  -1.073
  324   2HG1  VAL  45          2HG1      VAL  45   7.653 -13.083  -1.412
  325   3HG1  VAL  45          3HG1      VAL  45   7.223 -12.326   0.121
  326   1HG2  VAL  45          1HG2      VAL  45   5.010 -13.186  -2.590
  327   2HG2  VAL  45          2HG2      VAL  45   4.069 -12.375  -1.342
  328   3HG2  VAL  45          3HG2      VAL  45   5.321 -13.529  -0.890
  329    H    GLY  46           H        GLY  46   6.315  -9.674   1.636
  330   2HA   GLY  46          1HA       GLY  46   5.822 -11.624   3.422
  331   1HA   GLY  46          2HA       GLY  46   4.174 -11.107   3.066
  332    H    HIS  47           H        HIS  47   4.932  -8.258   2.699
  333    HA   HIS  47           HA       HIS  47   5.223  -7.574   5.589
  334   1HB   HIS  47          1HB       HIS  47   6.998  -6.008   5.117
  335   2HB   HIS  47          2HB       HIS  47   6.802  -6.234   3.382
  336    HD1  HIS  47          1HD       HIS  47   8.283  -7.841   6.423
  337    HD2  HIS  47          2HD       HIS  47   7.899  -8.652   2.355
  338    HE1  HIS  47          1HE       HIS  47   9.828  -9.788   5.932
  339    H    THR  48           H        THR  48   4.371  -5.520   6.142
  340    HA   THR  48           HA       THR  48   2.424  -4.388   4.194
  341    HB   THR  48           HB       THR  48   2.467  -3.410   6.986
  342    HG1  THR  48          1HG       THR  48   2.779  -5.290   7.844
  343   1HG2  THR  48          1HG2      THR  48   0.240  -3.274   6.630
  344   2HG2  THR  48          2HG2      THR  48   0.150  -4.930   6.030
  345   3HG2  THR  48          3HG2      THR  48   0.631  -3.624   4.947
  346    H    ILE  49           H        ILE  49   4.162  -3.275   3.027
  347    HA   ILE  49           HA       ILE  49   5.843  -1.376   4.516
  348    HB   ILE  49           HB       ILE  49   5.524  -2.069   1.584
  349   1HG2  ILE  49          1HG2      ILE  49   6.459   0.260   2.101
  350   2HG2  ILE  49          2HG2      ILE  49   7.506  -0.798   1.157
  351   3HG2  ILE  49          3HG2      ILE  49   7.811  -0.564   2.878
  352   1HG1  ILE  49          1HG1      ILE  49   6.931  -3.231   3.872
  353   2HG1  ILE  49          2HG1      ILE  49   8.022  -2.866   2.535
  354   1HD1  ILE  49          1HD1      ILE  49   7.236  -5.067   2.107
  355   2HD1  ILE  49          2HD1      ILE  49   6.291  -4.035   1.036
  356   3HD1  ILE  49          3HD1      ILE  49   5.580  -4.641   2.529
  357    H    ALA  50           H        ALA  50   5.105   0.604   5.061
  358    HA   ALA  50           HA       ALA  50   2.781   1.772   3.767
  359   1HB   ALA  50          1HB       ALA  50   3.180   3.602   5.371
  360   2HB   ALA  50          2HB       ALA  50   4.745   2.888   5.778
  361   3HB   ALA  50          3HB       ALA  50   3.254   2.024   6.161
  362    H    VAL  51           H        VAL  51   3.649   1.754   1.609
  363    HA   VAL  51           HA       VAL  51   5.970   3.124   0.719
  364    HB   VAL  51           HB       VAL  51   4.799   3.109  -1.461
  365   1HG1  VAL  51          1HG1      VAL  51   4.710   0.789  -1.681
  366   2HG1  VAL  51          2HG1      VAL  51   3.965   0.566  -0.098
  367   3HG1  VAL  51          3HG1      VAL  51   5.677   0.972  -0.217
  368   1HG2  VAL  51          1HG2      VAL  51   2.393   2.521   0.279
  369   2HG2  VAL  51          2HG2      VAL  51   2.423   2.145  -1.443
  370   3HG2  VAL  51          3HG2      VAL  51   2.587   3.817  -0.903
  371    H    TYR  52           H        TYR  52   6.431   5.281   0.503
  372    HA   TYR  52           HA       TYR  52   4.557   7.279   1.488
  373   2HB   TYR  52          1HB       TYR  52   7.171   7.632  -0.025
  374   1HB   TYR  52          2HB       TYR  52   7.087   7.296   1.704
  375    HD1  TYR  52          1HD       TYR  52   7.568   9.867  -0.510
  376    HE1  TYR  52          1HE       TYR  52   7.248  12.280  -0.037
  377    HE2  TYR  52          2HE       TYR  52   4.788  11.290   3.339
  378    HD2  TYR  52          2HD       TYR  52   5.111   8.879   2.867
  379    HH   TYR  52           HH       TYR  52   5.178  13.629   1.325
  380    H    ASN  53           H        ASN  53   2.781   7.613   0.187
  381    HA   ASN  53           HA       ASN  53   2.859   7.444  -2.728
  382   2HB   ASN  53          1HB       ASN  53   0.870   8.353  -0.625
  383   1HB   ASN  53          2HB       ASN  53   0.889   6.820  -1.490
  384   1HD2  ASN  53          1HD2      ASN  53  -0.181  10.139  -1.620
  385   2HD2  ASN  53          2HD2      ASN  53  -0.934  10.048  -3.141
  386    H    GLY  54           H        GLY  54   4.383   9.665  -0.977
  387   2HA   GLY  54          1HA       GLY  54   3.634  11.922  -2.780
  388   1HA   GLY  54          2HA       GLY  54   5.244  11.687  -2.090
  389    H    LYS  55           H        LYS  55   2.347  11.109  -0.195
  390    HA   LYS  55           HA       LYS  55   3.082  13.391   1.565
  391   2HB   LYS  55          1HB       LYS  55   1.337  14.367   0.344
  392   1HB   LYS  55          2HB       LYS  55   0.478  13.660   1.709
  393   2HG   LYS  55          1HG       LYS  55   0.389  11.547   0.067
  394   1HG   LYS  55          2HG       LYS  55   0.500  12.818  -1.150
  395   2HD   LYS  55          1HD       LYS  55  -1.448  13.946  -0.182
  396   1HD   LYS  55          2HD       LYS  55  -1.529  12.746   1.107
  397   1HE   LYS  55          1HE       LYS  55  -1.583  11.771  -1.733
  398   2HE   LYS  55          2HE       LYS  55  -3.055  12.495  -1.059
  399   1HZ   LYS  55          1HZ       LYS  55  -2.980  10.135  -0.557
  400   2HZ   LYS  55          2HZ       LYS  55  -2.795  11.023   0.880
  401   3HZ   LYS  55          3HZ       LYS  55  -1.446  10.294   0.146
  402    H    GLN  56           H        GLN  56   1.530  10.247   1.147
  403    HA   GLN  56           HA       GLN  56   1.421   9.964   4.124
  404   2HB   GLN  56          1HB       GLN  56  -0.570   8.376   3.198
  405   1HB   GLN  56          2HB       GLN  56  -0.530   9.606   1.932
  406   2HG   GLN  56          1HG       GLN  56  -2.044  10.348   3.674
  407   1HG   GLN  56          2HG       GLN  56  -0.592  11.353   3.706
  408   1HE2  GLN  56          1HE2      GLN  56  -0.201   8.078   4.942
  409   2HE2  GLN  56          2HE2      GLN  56  -0.180   8.496   6.586
  410    H    HIS  57           H        HIS  57   1.686   7.861   4.965
  411    HA   HIS  57           HA       HIS  57   3.317   5.996   3.342
  412   1HB   HIS  57          1HB       HIS  57   3.892   5.140   5.555
  413   2HB   HIS  57          2HB       HIS  57   2.589   6.049   6.296
  414    HD1  HIS  57          1HD       HIS  57   5.345   7.134   3.882
  415    HD2  HIS  57          2HD       HIS  57   3.795   8.137   7.618
  416    HE1  HIS  57          1HE       HIS  57   6.603   9.190   4.652
  417    H    VAL  58           H        VAL  58   1.992   4.497   2.265
  418    HA   VAL  58           HA       VAL  58  -0.524   3.590   3.602
  419    HB   VAL  58           HB       VAL  58   0.529   3.185   0.776
  420   1HG1  VAL  58          1HG1      VAL  58  -2.317   2.971   1.781
  421   2HG1  VAL  58          2HG1      VAL  58  -1.237   1.579   1.700
  422   3HG1  VAL  58          3HG1      VAL  58  -1.674   2.444   0.226
  423   1HG2  VAL  58          1HG2      VAL  58  -1.252   4.951   0.264
  424   2HG2  VAL  58          2HG2      VAL  58   0.199   5.540   1.076
  425   3HG2  VAL  58          3HG2      VAL  58  -1.284   5.284   1.995
  426    HA   PRO  59           HA       PRO  59   2.307   0.109   4.597
  427   2HB   PRO  59          1HB       PRO  59   1.907   0.460   6.854
  428   1HB   PRO  59          2HB       PRO  59   0.737  -0.859   6.638
  429   1HG   PRO  59          1HG       PRO  59  -0.023   1.513   7.561
  430   2HG   PRO  59          2HG       PRO  59  -1.045   0.607   6.433
  431   2HD   PRO  59          1HD       PRO  59   0.716   2.974   5.928
  432   1HD   PRO  59          2HD       PRO  59  -0.887   2.596   5.260
  433    H    VAL  60           H        VAL  60   1.742  -0.769   2.582
  434    HA   VAL  60           HA       VAL  60  -0.775  -2.325   2.343
  435    HB   VAL  60           HB       VAL  60   0.166  -2.678   0.000
  436   1HG1  VAL  60          1HG1      VAL  60  -1.450  -0.852   0.691
  437   2HG1  VAL  60          2HG1      VAL  60  -0.480  -0.485  -0.735
  438   3HG1  VAL  60          3HG1      VAL  60  -0.060   0.224   0.824
  439   1HG2  VAL  60          1HG2      VAL  60   2.567  -2.182   0.841
  440   2HG2  VAL  60          2HG2      VAL  60   2.109  -0.483   0.698
  441   3HG2  VAL  60          3HG2      VAL  60   2.085  -1.525  -0.723
  442    H    TYR  61           H        TYR  61  -0.717  -4.410   3.155
  443    HA   TYR  61           HA       TYR  61   1.798  -5.859   3.431
  444   2HB   TYR  61          1HB       TYR  61  -0.984  -7.052   3.460
  445   1HB   TYR  61          2HB       TYR  61  -0.367  -6.114   4.825
  446    HD1  TYR  61          1HD       TYR  61   0.605  -7.382   6.524
  447    HE1  TYR  61          1HE       TYR  61   1.922  -9.333   7.278
  448    HE2  TYR  61          2HE       TYR  61   2.244 -10.687   3.206
  449    HD2  TYR  61          2HD       TYR  61   0.942  -8.737   2.463
  450    HH   TYR  61           HH       TYR  61   2.299 -11.969   5.841
  451    H    ILE  62           H        ILE  62   2.753  -6.156   1.438
  452    HA   ILE  62           HA       ILE  62   1.191  -6.878  -0.924
  453    HB   ILE  62           HB       ILE  62   4.167  -6.734  -0.397
  454   1HG2  ILE  62          1HG2      ILE  62   3.039  -7.894  -2.538
  455   2HG2  ILE  62          2HG2      ILE  62   4.514  -6.937  -2.661
  456   3HG2  ILE  62          3HG2      ILE  62   2.959  -6.216  -3.073
  457   1HG1  ILE  62          1HG1      ILE  62   2.129  -4.691  -0.547
  458   2HG1  ILE  62          2HG1      ILE  62   3.260  -4.511  -1.886
  459   1HD1  ILE  62          1HD1      ILE  62   4.138  -4.893   0.991
  460   2HD1  ILE  62          2HD1      ILE  62   3.929  -3.306   0.246
  461   3HD1  ILE  62          3HD1      ILE  62   5.137  -4.422  -0.383
  462    H    THR  63           H        THR  63   1.003  -8.854  -1.827
  463    HA   THR  63           HA       THR  63   2.270 -11.199  -0.476
  464    HB   THR  63           HB       THR  63   0.402 -12.458  -1.363
  465    HG1  THR  63          1HG       THR  63  -0.166 -10.123  -2.866
  466   1HG2  THR  63          1HG2      THR  63  -0.021 -10.799   0.563
  467   2HG2  THR  63          2HG2      THR  63  -1.435 -11.439  -0.277
  468   3HG2  THR  63          3HG2      THR  63  -0.856  -9.813  -0.638
  469    H    GLU  64           H        GLU  64   1.866 -12.864  -2.912
  470    HA   GLU  64           HA       GLU  64   4.221 -11.873  -4.415
  471   2HB   GLU  64          1HB       GLU  64   2.668 -14.411  -4.937
  472   1HB   GLU  64          2HB       GLU  64   3.721 -14.275  -3.530
  473   1HG   GLU  64          1HG       GLU  64   4.680 -13.624  -6.325
  474   2HG   GLU  64          2HG       GLU  64   4.770 -15.256  -5.663
  475    H    ASN  65           H        ASN  65   0.916 -11.339  -4.680
  476    HA   ASN  65           HA       ASN  65   1.085 -11.088  -7.668
  477   2HB   ASN  65          1HB       ASN  65  -1.433 -11.625  -6.094
  478   1HB   ASN  65          2HB       ASN  65  -0.358 -12.937  -6.578
  479   1HD2  ASN  65          1HD2      ASN  65  -2.676 -10.556  -7.758
  480   2HD2  ASN  65          2HD2      ASN  65  -2.721 -11.120  -9.358
  481    H    MET  66           H        MET  66   0.589  -9.368  -4.730
  482    HA   MET  66           HA       MET  66  -1.189  -7.305  -5.870
  483   2HB   MET  66          1HB       MET  66  -0.872  -6.338  -3.603
  484   1HB   MET  66          2HB       MET  66   0.281  -7.622  -3.243
  485   2HG   MET  66          1HG       MET  66  -1.638  -8.606  -2.414
  486   1HG   MET  66          2HG       MET  66  -1.762  -9.141  -4.090
  487   1HE   MET  66          1HE       MET  66  -4.291  -9.574  -3.718
  488   2HE   MET  66          2HE       MET  66  -5.433  -8.391  -3.085
  489   3HE   MET  66          3HE       MET  66  -4.149  -9.008  -2.048
  490    H    VAL  67           H        VAL  67   2.236  -7.853  -5.347
  491    HA   VAL  67           HA       VAL  67   3.189  -5.147  -5.524
  492    HB   VAL  67           HB       VAL  67   4.529  -6.976  -4.645
  493   1HG1  VAL  67          1HG1      VAL  67   3.870  -8.192  -7.302
  494   2HG1  VAL  67          2HG1      VAL  67   3.922  -8.946  -5.708
  495   3HG1  VAL  67          3HG1      VAL  67   5.422  -8.596  -6.567
  496   1HG2  VAL  67          1HG2      VAL  67   6.591  -6.629  -5.893
  497   2HG2  VAL  67          2HG2      VAL  67   5.696  -5.112  -5.850
  498   3HG2  VAL  67          3HG2      VAL  67   5.686  -6.101  -7.309
  499    H    GLY  68           H        GLY  68   4.478  -4.266  -7.363
  500   2HA   GLY  68          1HA       GLY  68   3.425  -5.141 -10.021
  501   1HA   GLY  68          2HA       GLY  68   5.070  -4.562  -9.780
  502    H    HIS  69           H        HIS  69   2.792  -2.758  -7.924
  503    HA   HIS  69           HA       HIS  69   2.732  -0.687 -10.087
  504   2HB   HIS  69          1HB       HIS  69   0.559  -0.054  -9.007
  505   1HB   HIS  69          2HB       HIS  69   0.717  -1.431  -7.927
  506    HD1  HIS  69          1HD       HIS  69  -1.027  -0.613 -10.845
  507    HD2  HIS  69          2HD       HIS  69   1.381  -3.880  -9.861
  508    HE1  HIS  69          1HE       HIS  69  -1.651  -2.473 -12.446
  509    H    LYS  70           H        LYS  70   1.711  -0.338  -6.739
  510    HA   LYS  70           HA       LYS  70   4.020   0.872  -5.630
  511   2HB   LYS  70          1HB       LYS  70   3.965   2.655  -7.139
  512   1HB   LYS  70          2HB       LYS  70   3.023   3.302  -5.800
  513   1HG   LYS  70          1HG       LYS  70   1.537   1.750  -7.855
  514   2HG   LYS  70          2HG       LYS  70   2.136   3.331  -8.339
  515   2HD   LYS  70          1HD       LYS  70   1.092   4.030  -5.981
  516   1HD   LYS  70          2HD       LYS  70   0.084   2.615  -6.286
  517   1HE   LYS  70          1HE       LYS  70   0.474   4.661  -8.469
  518   2HE   LYS  70          2HE       LYS  70  -0.719   4.948  -7.187
  519   1HZ   LYS  70          1HZ       LYS  70  -0.514   2.443  -8.790
  520   2HZ   LYS  70          2HZ       LYS  70  -1.621   3.689  -9.109
  521   3HZ   LYS  70          3HZ       LYS  70  -1.716   2.821  -7.653
  522    H    LEU  71           H        LEU  71   0.601   0.729  -5.815
  523    HA   LEU  71           HA       LEU  71   0.038   0.075  -3.131
  524   1HB   LEU  71          1HB       LEU  71   0.995   2.489  -2.943
  525   2HB   LEU  71          2HB       LEU  71  -0.491   2.129  -2.078
  526    HG   LEU  71           HG       LEU  71  -0.896   3.058  -4.851
  527   1HD1  LEU  71          1HD1      LEU  71  -2.831   2.863  -3.516
  528   2HD1  LEU  71          2HD1      LEU  71  -2.483   4.591  -3.481
  529   3HD1  LEU  71          3HD1      LEU  71  -2.041   3.574  -2.109
  530   1HD2  LEU  71          1HD2      LEU  71  -0.308   5.351  -4.460
  531   2HD2  LEU  71          2HD2      LEU  71   1.104   4.399  -4.003
  532   3HD2  LEU  71          3HD2      LEU  71   0.034   5.041  -2.758
  533    H    GLY  72           H        GLY  72  -1.005   1.206  -6.257
  534   2HA   GLY  72          1HA       GLY  72  -3.083   1.238  -7.319
  535   1HA   GLY  72          2HA       GLY  72  -3.835   1.365  -5.731
  536    H    GLU  73           H        GLU  73  -1.659  -1.284  -6.125
  537    HA   GLU  73           HA       GLU  73  -3.703  -3.200  -7.064
  538   2HB   GLU  73          1HB       GLU  73  -1.691  -4.752  -6.361
  539   1HB   GLU  73          2HB       GLU  73  -0.808  -3.231  -6.234
  540   2HG   GLU  73          1HG       GLU  73  -0.416  -3.623  -8.445
  541   1HG   GLU  73          2HG       GLU  73  -1.996  -2.865  -8.633
  542    H    PHE  74           H        PHE  74  -2.471  -1.917  -4.102
  543    HA   PHE  74           HA       PHE  74  -3.697  -4.100  -2.482
  544   1HB   PHE  74          1HB       PHE  74  -2.239  -3.346  -0.758
  545   2HB   PHE  74          2HB       PHE  74  -2.028  -1.772  -1.516
  546    HD1  PHE  74          1HD       PHE  74  -0.944  -5.279  -1.483
  547    HE1  PHE  74          1HE       PHE  74   1.110  -6.072  -2.592
  548    HZ   PHE  74           HZ       PHE  74   2.304  -4.612  -4.178
  549    HE2  PHE  74          2HE       PHE  74   1.455  -2.339  -4.661
  550    HD2  PHE  74          2HD       PHE  74  -0.586  -1.523  -3.540
  551    H    ALA  75           H        ALA  75  -4.166  -0.823  -3.536
  552    HA   ALA  75           HA       ALA  75  -6.507  -0.579  -1.688
  553   1HB   ALA  75          1HB       ALA  75  -4.368   1.484  -2.320
  554   2HB   ALA  75          2HB       ALA  75  -4.596   0.666  -0.774
  555   3HB   ALA  75          3HB       ALA  75  -5.814   1.799  -1.359
  556    HA   PRO  76           HA       PRO  76  -7.365   0.724  -6.093
  557   2HB   PRO  76          1HB       PRO  76  -6.781  -1.229  -7.185
  558   1HB   PRO  76          2HB       PRO  76  -8.523  -1.543  -7.103
  559   1HG   PRO  76          1HG       PRO  76  -6.546  -3.115  -5.978
  560   2HG   PRO  76          2HG       PRO  76  -8.254  -3.130  -5.519
  561   2HD   PRO  76          1HD       PRO  76  -5.997  -2.269  -3.976
  562   1HD   PRO  76          2HD       PRO  76  -7.704  -2.302  -3.496
  563    H    THR  77           H        THR  77  -8.800   1.279  -3.787
  564    HA   THR  77           HA       THR  77 -11.624   0.933  -4.706
  565    HB   THR  77           HB       THR  77 -10.578   0.545  -1.881
  566    HG1  THR  77          1HG       THR  77 -10.138  -1.335  -2.732
  567   1HG2  THR  77          1HG2      THR  77 -12.839   1.455  -1.894
  568   2HG2  THR  77          2HG2      THR  77 -12.903  -0.250  -1.447
  569   3HG2  THR  77          3HG2      THR  77 -13.347   0.252  -3.078
  570    H    ARG  78           H        ARG  78  -9.688   2.511  -2.140
  571    HA   ARG  78           HA       ARG  78 -11.399   4.936  -2.345
  572   2HB   ARG  78          1HB       ARG  78  -9.999   5.535  -0.285
  573   1HB   ARG  78          2HB       ARG  78  -9.282   3.930  -0.424
  574   1HG   ARG  78          1HG       ARG  78 -12.210   3.888  -0.586
  575   2HG   ARG  78          2HG       ARG  78 -11.620   4.544   0.941
  576   2HD   ARG  78          1HD       ARG  78 -10.334   2.545   1.386
  577   1HD   ARG  78          2HD       ARG  78 -10.634   1.927  -0.251
  578    HE   ARG  78           HE       ARG  78 -13.021   1.700   0.372
  579   1HH1  ARG  78          1HH1      ARG  78 -11.808  -0.098   2.329
  580   2HH1  ARG  78          2HH1      ARG  78 -12.396   0.494   3.847
  581   1HH2  ARG  78          1HH2      ARG  78 -13.351   3.583   2.573
  582   2HH2  ARG  78          2HH2      ARG  78 -13.272   2.584   3.986
  583    H    THR  79           H        THR  79  -7.915   4.072  -2.413
  584    HA   THR  79           HA       THR  79  -7.350   6.689  -3.755
  585    HB   THR  79           HB       THR  79  -6.235   6.002  -1.574
  586    HG1  THR  79          1HG       THR  79  -4.801   7.314  -2.312
  587   1HG2  THR  79          1HG2      THR  79  -4.483   4.316  -1.655
  588   2HG2  THR  79          2HG2      THR  79  -4.783   4.037  -3.370
  589   3HG2  THR  79          3HG2      THR  79  -6.001   3.588  -2.177
  590    H    TYR  80           H        TYR  80  -5.181   6.301  -5.209
  591    HA   TYR  80           HA       TYR  80  -5.941   4.193  -7.191
  592   2HB   TYR  80          1HB       TYR  80  -4.078   6.560  -7.526
  593   1HB   TYR  80          2HB       TYR  80  -5.825   6.695  -7.727
  594    HD1  TYR  80          1HD       TYR  80  -2.723   5.754  -9.284
  595    HE1  TYR  80          1HE       TYR  80  -2.524   4.884 -11.597
  596    HE2  TYR  80          2HE       TYR  80  -6.771   4.252 -11.725
  597    HD2  TYR  80          2HD       TYR  80  -6.970   5.123  -9.412
  598    HH   TYR  80           HH       TYR  80  -4.611   4.767 -13.703

  No H/Q in entry =         598
  Start of MODEL    4
    1    H    GLY   8           H        GLY   8  10.173   6.960 -15.516
    2   2HA   GLY   8          1HA       GLY   8   9.255   4.162 -15.912
    3   1HA   GLY   8          2HA       GLY   8   8.249   5.601 -16.071
    4    H    VAL   9           H        VAL   9   9.748   3.381 -13.775
    5    HA   VAL   9           HA       VAL   9   8.202   4.635 -11.543
    6    HB   VAL   9           HB       VAL   9   6.928   2.795 -12.705
    7   1HG1  VAL   9          1HG1      VAL   9   7.684   0.519 -12.565
    8   2HG1  VAL   9          2HG1      VAL   9   9.042   0.968 -11.533
    9   3HG1  VAL   9          3HG1      VAL   9   9.023   1.455 -13.228
   10   1HG2  VAL   9          1HG2      VAL   9   6.248   1.695 -10.656
   11   2HG2  VAL   9          2HG2      VAL   9   6.645   3.368 -10.269
   12   3HG2  VAL   9          3HG2      VAL   9   7.787   2.081  -9.884
   13    H    PHE  10           H        PHE  10   9.167   4.362  -9.498
   14    HA   PHE  10           HA       PHE  10  11.806   2.932  -9.449
   15   2HB   PHE  10          1HB       PHE  10  10.997   5.704  -8.918
   16   1HB   PHE  10          2HB       PHE  10  12.602   5.053  -9.221
   17    HD1  PHE  10          1HD       PHE  10  14.101   4.482  -7.401
   18    HE1  PHE  10          1HE       PHE  10  14.647   4.741  -4.999
   19    HZ   PHE  10           HZ       PHE  10  12.907   5.478  -3.393
   20    HE2  PHE  10          2HE       PHE  10  10.601   5.959  -4.206
   21    HD2  PHE  10          2HD       PHE  10  10.058   5.708  -6.609
   22    H    VAL  11           H        VAL  11  12.337   1.934  -7.417
   23    HA   VAL  11           HA       VAL  11   9.998   1.544  -5.580
   24    HB   VAL  11           HB       VAL  11  10.736  -0.441  -6.911
   25   1HG1  VAL  11          1HG1      VAL  11  13.278  -0.475  -5.298
   26   2HG1  VAL  11          2HG1      VAL  11  13.216   0.388  -6.835
   27   3HG1  VAL  11          3HG1      VAL  11  12.895  -1.344  -6.784
   28   1HG2  VAL  11          1HG2      VAL  11  11.475  -1.752  -4.637
   29   2HG2  VAL  11          2HG2      VAL  11   9.811  -1.319  -5.022
   30   3HG2  VAL  11          3HG2      VAL  11  10.765  -0.290  -3.953
   31    H    ASP  12           H        ASP  12  10.323   2.534  -3.618
   32    HA   ASP  12           HA       ASP  12  12.576   3.931  -2.808
   33   2HB   ASP  12          1HB       ASP  12  10.719   2.418  -0.962
   34   1HB   ASP  12          2HB       ASP  12  10.261   3.902  -1.798
   35    H    ASP  13           H        ASP  13  14.601   2.996  -2.936
   36    HA   ASP  13           HA       ASP  13  15.255   0.312  -2.251
   37   2HB   ASP  13          1HB       ASP  13  17.110   2.692  -2.094
   38   1HB   ASP  13          2HB       ASP  13  16.498   2.116  -3.647
   39    H    HIS  14           H        HIS  14  14.794   3.230  -0.420
   40    HA   HIS  14           HA       HIS  14  16.225   2.528   1.956
   41   2HB   HIS  14          1HB       HIS  14  13.776   4.175   2.171
   42   1HB   HIS  14          2HB       HIS  14  14.896   4.703   0.914
   43    HD1  HIS  14          1HD       HIS  14  14.296   4.973   4.477
   44    HD2  HIS  14          2HD       HIS  14  17.685   4.989   2.051
   45    HE1  HIS  14          1HE       HIS  14  16.166   5.964   5.867
   46    H    LEU  15           H        LEU  15  12.968   1.852   0.773
   47    HA   LEU  15           HA       LEU  15  12.040   0.659   3.273
   48   1HB   LEU  15          1HB       LEU  15  10.984   1.626   0.824
   49   2HB   LEU  15          2HB       LEU  15  10.076   1.008   2.194
   50    HG   LEU  15           HG       LEU  15  11.234  -0.859   0.125
   51   1HD1  LEU  15          1HD1      LEU  15   9.322  -0.973   2.408
   52   2HD1  LEU  15          2HD1      LEU  15  10.475  -2.183   1.849
   53   3HD1  LEU  15          3HD1      LEU  15   8.945  -1.966   1.002
   54   1HD2  LEU  15          1HD2      LEU  15   9.877   0.587  -1.199
   55   2HD2  LEU  15          2HD2      LEU  15   8.649   0.709   0.062
   56   3HD2  LEU  15          3HD2      LEU  15   8.853  -0.799  -0.829
   57    H    LEU  16           H        LEU  16  13.414  -0.425   0.196
   58    HA   LEU  16           HA       LEU  16  13.122  -3.234   0.534
   59   2HB   LEU  16          1HB       LEU  16  15.351  -3.026  -0.951
   60   1HB   LEU  16          2HB       LEU  16  14.815  -1.346  -1.037
   61    HG   LEU  16           HG       LEU  16  12.863  -3.574  -1.494
   62   1HD1  LEU  16          1HD1      LEU  16  12.290  -1.101  -1.209
   63   2HD1  LEU  16          2HD1      LEU  16  11.633  -1.902  -2.636
   64   3HD1  LEU  16          3HD1      LEU  16  13.046  -0.854  -2.782
   65   1HD2  LEU  16          1HD2      LEU  16  13.544  -3.972  -3.658
   66   2HD2  LEU  16          2HD2      LEU  16  15.118  -3.555  -2.978
   67   3HD2  LEU  16          3HD2      LEU  16  14.190  -2.343  -3.862
   68    H    GLU  17           H        GLU  17  15.689  -0.960   1.481
   69    HA   GLU  17           HA       GLU  17  17.597  -2.787   2.515
   70   1HB   GLU  17          1HB       GLU  17  17.230  -0.041   2.328
   71   2HB   GLU  17          2HB       GLU  17  18.613  -0.831   3.075
   72   2HG   GLU  17          1HG       GLU  17  17.554  -0.735   5.260
   73   1HG   GLU  17          2HG       GLU  17  16.068  -0.102   4.553
   74    H    LYS  18           H        LYS  18  14.474  -1.853   3.786
   75    HA   LYS  18           HA       LYS  18  15.054  -3.055   6.448
   76   2HB   LYS  18          1HB       LYS  18  12.629  -2.147   6.766
   77   1HB   LYS  18          2HB       LYS  18  12.897  -1.340   5.223
   78   2HG   LYS  18          1HG       LYS  18  14.920  -0.260   6.147
   79   1HG   LYS  18          2HG       LYS  18  14.648  -1.069   7.689
   80   2HD   LYS  18          1HD       LYS  18  13.710   1.099   7.965
   81   1HD   LYS  18          2HD       LYS  18  12.326   0.046   7.667
   82   2HE   LYS  18          1HE       LYS  18  11.877   1.773   6.154
   83   1HE   LYS  18          2HE       LYS  18  12.844   0.704   5.120
   84   1HZ   LYS  18          1HZ       LYS  18  14.836   1.925   5.908
   85   2HZ   LYS  18          2HZ       LYS  18  13.822   3.007   6.740
   86   3HZ   LYS  18          3HZ       LYS  18  13.764   2.915   5.045
   87    H    VAL  19           H        VAL  19  13.075  -3.575   3.524
   88    HA   VAL  19           HA       VAL  19  11.462  -5.710   4.625
   89    HB   VAL  19           HB       VAL  19  11.201  -4.186   2.513
   90   1HG1  VAL  19          1HG1      VAL  19  13.273  -4.852   1.407
   91   2HG1  VAL  19          2HG1      VAL  19  11.888  -5.330   0.426
   92   3HG1  VAL  19          3HG1      VAL  19  12.744  -6.534   1.389
   93   1HG2  VAL  19          1HG2      VAL  19  10.332  -6.924   3.129
   94   2HG2  VAL  19          2HG2      VAL  19  10.157  -6.495   1.422
   95   3HG2  VAL  19          3HG2      VAL  19   9.368  -5.519   2.665
   96    H    LEU  20           H        LEU  20  14.517  -5.660   2.784
   97    HA   LEU  20           HA       LEU  20  14.816  -8.525   2.496
   98   1HB   LEU  20          1HB       LEU  20  17.128  -7.976   1.996
   99   2HB   LEU  20          2HB       LEU  20  17.012  -6.452   2.874
  100    HG   LEU  20           HG       LEU  20  15.139  -5.883   1.184
  101   1HD1  LEU  20          1HD1      LEU  20  17.974  -6.090   0.138
  102   2HD1  LEU  20          2HD1      LEU  20  17.453  -4.885   1.315
  103   3HD1  LEU  20          3HD1      LEU  20  16.759  -4.891  -0.306
  104   1HD2  LEU  20          1HD2      LEU  20  16.227  -8.424   0.141
  105   2HD2  LEU  20          2HD2      LEU  20  16.098  -7.142  -1.061
  106   3HD2  LEU  20          3HD2      LEU  20  14.669  -7.660  -0.168
  107    H    GLU  21           H        GLU  21  15.605  -6.128   4.901
  108    HA   GLU  21           HA       GLU  21  17.087  -7.706   6.746
  109   2HB   GLU  21          1HB       GLU  21  15.283  -5.769   7.965
  110   1HB   GLU  21          2HB       GLU  21  16.045  -5.117   6.517
  111   1HG   GLU  21          1HG       GLU  21  18.024  -6.547   8.024
  112   2HG   GLU  21          2HG       GLU  21  17.190  -5.435   9.109
  113    H    LEU  22           H        LEU  22  13.574  -7.356   6.206
  114    HA   LEU  22           HA       LEU  22  12.856  -8.917   8.591
  115   2HB   LEU  22          1HB       LEU  22  10.664  -8.891   6.933
  116   1HB   LEU  22          2HB       LEU  22  11.552  -7.488   6.349
  117    HG   LEU  22           HG       LEU  22   9.959  -6.888   8.156
  118   1HD1  LEU  22          1HD1      LEU  22   9.683  -8.393   9.813
  119   2HD1  LEU  22          2HD1      LEU  22  11.219  -7.827  10.468
  120   3HD1  LEU  22          3HD1      LEU  22  11.180  -9.226   9.396
  121   1HD2  LEU  22          1HD2      LEU  22  11.950  -5.517   7.937
  122   2HD2  LEU  22          2HD2      LEU  22  12.904  -6.680   8.858
  123   3HD2  LEU  22          3HD2      LEU  22  11.632  -5.754   9.654
  124    H    ASN  23           H        ASN  23  13.573  -9.544   5.217
  125    HA   ASN  23           HA       ASN  23  12.489 -12.278   5.226
  126   2HB   ASN  23          1HB       ASN  23  13.837 -12.251   3.003
  127   1HB   ASN  23          2HB       ASN  23  14.121 -10.547   3.359
  128   1HD2  ASN  23          1HD2      ASN  23  12.522  -9.146   2.594
  129   2HD2  ASN  23          2HD2      ASN  23  10.934  -9.601   2.206
  130    H    ALA  24           H        ALA  24  15.370 -10.750   6.325
  131    HA   ALA  24           HA       ALA  24  17.142 -13.021   5.944
  132   1HB   ALA  24          1HB       ALA  24  17.370 -10.469   7.557
  133   2HB   ALA  24          2HB       ALA  24  17.882 -10.657   5.878
  134   3HB   ALA  24          3HB       ALA  24  18.707 -11.547   7.158
  135    H    LYS  25           H        LYS  25  15.210 -11.563   8.532
  136    HA   LYS  25           HA       LYS  25  16.187 -13.516  10.524
  137   1HB   LYS  25          1HB       LYS  25  14.868 -12.164  12.060
  138   2HB   LYS  25          2HB       LYS  25  14.023 -11.397  10.717
  139   1HG   LYS  25          1HG       LYS  25  15.869 -10.000  11.753
  140   2HG   LYS  25          2HG       LYS  25  16.012 -10.246  10.014
  141   2HD   LYS  25          1HD       LYS  25  17.438 -12.360  10.792
  142   1HD   LYS  25          2HD       LYS  25  17.668 -11.375  12.236
  143   2HE   LYS  25          1HE       LYS  25  18.913  -9.783  11.100
  144   1HE   LYS  25          2HE       LYS  25  18.040 -10.042   9.577
  145   1HZ   LYS  25          1HZ       LYS  25  20.290 -10.992   9.517
  146   2HZ   LYS  25          2HZ       LYS  25  19.106 -12.203   9.380
  147   3HZ   LYS  25          3HZ       LYS  25  19.923 -11.970  10.853
  148    H    GLY  26           H        GLY  26  13.663 -13.213   8.213
  149   2HA   GLY  26          1HA       GLY  26  12.432 -15.720   9.144
  150   1HA   GLY  26          2HA       GLY  26  12.068 -14.880   7.635
  151    H    GLU  27           H        GLU  27  11.777 -12.281   9.159
  152    HA   GLU  27           HA       GLU  27   9.207 -12.850  10.589
  153   2HB   GLU  27          1HB       GLU  27   9.707 -10.524  11.539
  154   1HB   GLU  27          2HB       GLU  27  11.274 -10.643  10.737
  155   2HG   GLU  27          1HG       GLU  27  11.715 -12.757  11.976
  156   1HG   GLU  27          2HG       GLU  27  10.174 -12.566  12.812
  157    H    LYS  28           H        LYS  28   7.339 -11.720   9.962
  158    HA   LYS  28           HA       LYS  28   7.533 -10.179   7.398
  159   2HB   LYS  28          1HB       LYS  28   4.996 -10.879   7.445
  160   1HB   LYS  28          2HB       LYS  28   5.525 -12.034   8.666
  161   2HG   LYS  28          1HG       LYS  28   7.175 -12.961   7.101
  162   1HG   LYS  28          2HG       LYS  28   6.720 -11.765   5.888
  163   2HD   LYS  28          1HD       LYS  28   5.398 -13.531   5.195
  164   1HD   LYS  28          2HD       LYS  28   4.289 -12.776   6.339
  165   1HE   LYS  28          1HE       LYS  28   6.099 -14.609   7.706
  166   2HE   LYS  28          2HE       LYS  28   5.198 -15.434   6.419
  167   1HZ   LYS  28          1HZ       LYS  28   4.027 -13.642   8.496
  168   2HZ   LYS  28          2HZ       LYS  28   3.925 -15.338   8.496
  169   3HZ   LYS  28          3HZ       LYS  28   3.159 -14.440   7.274
  170    H    ARG  29           H        ARG  29   7.878  -8.099   8.378
  171    HA   ARG  29           HA       ARG  29   5.653  -7.114  10.136
  172   2HB   ARG  29          1HB       ARG  29   8.193  -5.608   9.978
  173   1HB   ARG  29          2HB       ARG  29   8.354  -7.246  10.598
  174   1HG   ARG  29          1HG       ARG  29   6.048  -5.808  11.712
  175   2HG   ARG  29          2HG       ARG  29   7.595  -5.052  12.094
  176   1HD   ARG  29          1HD       ARG  29   7.487  -8.018  12.384
  177   2HD   ARG  29          2HD       ARG  29   6.572  -7.072  13.575
  178    HE   ARG  29           HE       ARG  29   8.637  -6.155  14.352
  179   1HH1  ARG  29          1HH1      ARG  29   9.707  -8.895  13.491
  180   2HH1  ARG  29          2HH1      ARG  29  11.119  -8.432  12.602
  181   1HH2  ARG  29          1HH2      ARG  29  10.163  -5.107  12.296
  182   2HH2  ARG  29          2HH2      ARG  29  11.378  -6.283  11.925
  183    H    LEU  30           H        LEU  30   6.380  -4.360   9.839
  184    HA   LEU  30           HA       LEU  30   5.524  -3.877   7.012
  185   1HB   LEU  30          1HB       LEU  30   4.195  -3.348   9.303
  186   2HB   LEU  30          2HB       LEU  30   4.026  -2.348   7.869
  187    HG   LEU  30           HG       LEU  30   6.320  -1.501   9.426
  188   1HD1  LEU  30          1HD1      LEU  30   3.705  -0.214   8.603
  189   2HD1  LEU  30          2HD1      LEU  30   5.250  -0.097   7.762
  190   3HD1  LEU  30          3HD1      LEU  30   5.047   0.659   9.342
  191   1HD2  LEU  30          1HD2      LEU  30   3.630  -1.428  10.822
  192   2HD2  LEU  30          2HD2      LEU  30   5.132  -0.713  11.410
  193   3HD2  LEU  30          3HD2      LEU  30   4.975  -2.466  11.294
  194    H    ILE  31           H        ILE  31   6.457  -2.030   5.930
  195    HA   ILE  31           HA       ILE  31   8.969  -0.934   7.148
  196    HB   ILE  31           HB       ILE  31   8.487  -2.004   4.341
  197   1HG2  ILE  31          1HG2      ILE  31  10.715  -1.330   3.789
  198   2HG2  ILE  31          2HG2      ILE  31  11.080  -0.921   5.466
  199   3HG2  ILE  31          3HG2      ILE  31   9.967   0.081   4.538
  200   2HG1  ILE  31          1HG1      ILE  31   9.359  -3.220   6.771
  201   1HG1  ILE  31          2HG1      ILE  31  10.755  -3.118   5.698
  202   1HD1  ILE  31          1HD1      ILE  31   9.634  -5.196   5.214
  203   2HD1  ILE  31          2HD1      ILE  31   9.289  -4.098   3.876
  204   3HD1  ILE  31          3HD1      ILE  31   8.068  -4.391   5.116
  205    H    LYS  32           H        LYS  32   8.814   1.272   7.216
  206    HA   LYS  32           HA       LYS  32   6.755   2.695   5.687
  207   2HB   LYS  32          1HB       LYS  32   7.872   4.653   6.930
  208   1HB   LYS  32          2HB       LYS  32   8.902   3.436   7.683
  209   1HG   LYS  32          1HG       LYS  32   5.999   2.839   7.711
  210   2HG   LYS  32          2HG       LYS  32   6.495   4.215   8.695
  211   2HD   LYS  32          1HD       LYS  32   8.401   2.540   9.475
  212   1HD   LYS  32          2HD       LYS  32   7.235   1.323   8.958
  213   2HE   LYS  32          1HE       LYS  32   6.506   1.611  11.144
  214   1HE   LYS  32          2HE       LYS  32   5.583   2.924  10.388
  215   1HZ   LYS  32          1HZ       LYS  32   7.447   4.416  10.840
  216   2HZ   LYS  32          2HZ       LYS  32   8.308   3.150  11.580
  217   3HZ   LYS  32          3HZ       LYS  32   6.874   3.731  12.282
  218    H    THR  33           H        THR  33   7.267   4.553   4.292
  219    HA   THR  33           HA       THR  33   9.976   4.470   3.008
  220    HB   THR  33           HB       THR  33   7.217   4.242   1.777
  221    HG1  THR  33          1HG       THR  33   7.853   2.254   1.882
  222   1HG2  THR  33          1HG2      THR  33   9.796   5.173   0.580
  223   2HG2  THR  33          2HG2      THR  33   8.152   5.709   0.246
  224   3HG2  THR  33          3HG2      THR  33   8.726   4.169  -0.395
  225    H    TRP  34           H        TRP  34  10.482   6.503   1.844
  226    HA   TRP  34           HA       TRP  34   8.669   8.820   2.373
  227   1HB   TRP  34          1HB       TRP  34  10.541  10.053   3.401
  228   2HB   TRP  34          2HB       TRP  34  11.593   8.657   3.181
  229    HD1  TRP  34           HD       TRP  34   8.683   9.917   5.284
  230    HE3  TRP  34          3HE       TRP  34  11.972   6.237   4.037
  231    HE1  TRP  34          1HE       TRP  34   8.417   8.379   7.337
  232    HZ3  TRP  34          3HZ       TRP  34  12.334   4.299   5.541
  233    HZ2  TRP  34          2HZ       TRP  34   9.478   5.903   8.321
  234    HH2  TRP  34           HH       TRP  34  11.090   4.126   7.679
  235    H    SER  35           H        SER  35   9.442   7.460  -0.128
  236    HA   SER  35           HA       SER  35  11.321   9.395  -1.404
  237   2HB   SER  35          1HB       SER  35  10.420   7.358  -3.177
  238   1HB   SER  35          2HB       SER  35  10.690   6.600  -1.613
  239    HG   SER  35           HG       SER  35  12.752   6.954  -1.763
  240    H    ARG  36           H        ARG  36  10.231   9.026  -4.076
  241    HA   ARG  36           HA       ARG  36   7.777  10.734  -3.835
  242   2HB   ARG  36          1HB       ARG  36   8.738  10.972  -6.415
  243   1HB   ARG  36          2HB       ARG  36  10.217  10.697  -5.496
  244   2HG   ARG  36          1HG       ARG  36   9.988  13.020  -5.353
  245   1HG   ARG  36          2HG       ARG  36   9.203  12.492  -3.864
  246   2HD   ARG  36          1HD       ARG  36   7.042  12.419  -5.419
  247   1HD   ARG  36          2HD       ARG  36   7.974  13.585  -6.378
  248    HE   ARG  36           HE       ARG  36   8.066  15.032  -4.397
  249   1HH1  ARG  36          1HH1      ARG  36   7.935  13.160  -2.159
  250   2HH1  ARG  36          2HH1      ARG  36   6.291  13.277  -1.626
  251   1HH2  ARG  36          1HH2      ARG  36   5.165  14.765  -4.556
  252   2HH2  ARG  36          2HH2      ARG  36   4.720  14.187  -2.986
  253    H    ARG  37           H        ARG  37   9.204   8.357  -6.137
  254    HA   ARG  37           HA       ARG  37   6.448   7.503  -6.908
  255   2HB   ARG  37          1HB       ARG  37   7.713   6.409  -8.779
  256   1HB   ARG  37          2HB       ARG  37   9.212   7.006  -8.068
  257   1HG   ARG  37          1HG       ARG  37   7.245   9.133  -8.324
  258   2HG   ARG  37          2HG       ARG  37   7.559   8.368  -9.882
  259   2HD   ARG  37          1HD       ARG  37   9.758   9.086  -9.930
  260   1HD   ARG  37          2HD       ARG  37   9.933   8.987  -8.166
  261    HE   ARG  37           HE       ARG  37   8.096  11.001  -8.445
  262   1HH1  ARG  37          1HH1      ARG  37  10.796  11.802  -7.641
  263   2HH1  ARG  37          2HH1      ARG  37  11.321  12.815  -8.944
  264   1HH2  ARG  37          1HH2      ARG  37   8.895  11.677 -11.157
  265   2HH2  ARG  37          2HH2      ARG  37  10.242  12.744 -10.940
  266    H    SER  38           H        SER  38   7.593   6.738  -4.322
  267    HA   SER  38           HA       SER  38   8.819   4.317  -3.954
  268   2HB   SER  38          1HB       SER  38   7.221   4.144  -1.976
  269   1HB   SER  38          2HB       SER  38   6.371   5.533  -2.655
  270    HG   SER  38           HG       SER  38   7.841   6.748  -1.847
  271    H    THR  39           H        THR  39   8.466   2.244  -4.602
  272    HA   THR  39           HA       THR  39   5.685   1.349  -5.261
  273    HB   THR  39           HB       THR  39   8.228   1.114  -6.901
  274    HG1  THR  39          1HG       THR  39   7.325   2.878  -7.611
  275   1HG2  THR  39          1HG2      THR  39   6.566  -0.058  -8.535
  276   2HG2  THR  39          2HG2      THR  39   5.620  -0.382  -7.082
  277   3HG2  THR  39          3HG2      THR  39   7.265  -1.003  -7.221
  278    H    ILE  40           H        ILE  40   5.519  -1.071  -5.286
  279    HA   ILE  40           HA       ILE  40   7.085  -2.262  -3.078
  280    HB   ILE  40           HB       ILE  40   4.854  -3.269  -4.867
  281   1HG2  ILE  40          1HG2      ILE  40   4.529  -5.015  -3.183
  282   2HG2  ILE  40          2HG2      ILE  40   5.913  -4.416  -2.273
  283   3HG2  ILE  40          3HG2      ILE  40   6.143  -5.123  -3.870
  284   1HG1  ILE  40          1HG1      ILE  40   4.982  -1.719  -2.321
  285   2HG1  ILE  40          2HG1      ILE  40   3.724  -2.948  -2.448
  286   1HD1  ILE  40          1HD1      ILE  40   2.618  -1.149  -3.387
  287   2HD1  ILE  40          2HD1      ILE  40   3.365  -1.828  -4.836
  288   3HD1  ILE  40          3HD1      ILE  40   4.098  -0.441  -4.028
  289    H    VAL  41           H        VAL  41   7.895  -4.581  -3.390
  290    HA   VAL  41           HA       VAL  41   8.962  -5.132  -6.139
  291    HB   VAL  41           HB       VAL  41  10.962  -5.918  -4.309
  292   1HG1  VAL  41          1HG1      VAL  41  12.336  -4.503  -5.601
  293   2HG1  VAL  41          2HG1      VAL  41  11.046  -3.330  -5.863
  294   3HG1  VAL  41          3HG1      VAL  41  11.008  -4.882  -6.698
  295   1HG2  VAL  41          1HG2      VAL  41  11.531  -3.754  -3.199
  296   2HG2  VAL  41          2HG2      VAL  41  10.033  -4.446  -2.592
  297   3HG2  VAL  41          3HG2      VAL  41   9.981  -3.099  -3.723
  298    HA   PRO  42           HA       PRO  42   8.112  -9.333  -5.437
  299   2HB   PRO  42          1HB       PRO  42   9.477  -9.910  -7.187
  300   1HB   PRO  42          2HB       PRO  42  10.463 -10.642  -5.906
  301   1HG   PRO  42          1HG       PRO  42  11.486  -8.842  -7.553
  302   2HG   PRO  42          2HG       PRO  42  11.906  -8.843  -5.830
  303   2HD   PRO  42          1HD       PRO  42  10.039  -7.060  -7.339
  304   1HD   PRO  42          2HD       PRO  42  11.167  -6.670  -6.021
  305    H    GLU  43           H        GLU  43  10.932  -8.150  -3.685
  306    HA   GLU  43           HA       GLU  43  11.003 -10.349  -1.773
  307   1HB   GLU  43          1HB       GLU  43  12.968  -8.995  -2.423
  308   2HB   GLU  43          2HB       GLU  43  12.692  -8.925  -0.683
  309   2HG   GLU  43          1HG       GLU  43  12.352  -6.693  -0.751
  310   1HG   GLU  43          2HG       GLU  43  11.210  -6.840  -2.086
  311    H    MET  44           H        MET  44   8.615  -8.141  -2.149
  312    HA   MET  44           HA       MET  44   8.252  -7.597   0.764
  313   1HB   MET  44          1HB       MET  44   6.959  -5.718   0.039
  314   2HB   MET  44          2HB       MET  44   6.843  -6.354  -1.601
  315   2HG   MET  44          1HG       MET  44   8.959  -5.677  -2.152
  316   1HG   MET  44          2HG       MET  44   9.589  -5.974  -0.535
  317   1HE   MET  44          1HE       MET  44  10.657  -2.513  -0.779
  318   2HE   MET  44          2HE       MET  44  10.973  -4.235  -0.963
  319   3HE   MET  44          3HE       MET  44  10.604  -3.580   0.629
  320    H    VAL  45           H        VAL  45   7.449 -10.107  -0.986
  321    HA   VAL  45           HA       VAL  45   4.595 -10.206  -1.166
  322    HB   VAL  45           HB       VAL  45   6.748 -12.327  -0.887
  323   1HG1  VAL  45          1HG1      VAL  45   3.840 -12.534  -1.169
  324   2HG1  VAL  45          2HG1      VAL  45   5.021 -13.776  -0.759
  325   3HG1  VAL  45          3HG1      VAL  45   4.716 -13.373  -2.448
  326   1HG2  VAL  45          1HG2      VAL  45   6.751 -10.535  -2.790
  327   2HG2  VAL  45          2HG2      VAL  45   5.395 -11.460  -3.433
  328   3HG2  VAL  45          3HG2      VAL  45   6.965 -12.232  -3.219
  329    H    GLY  46           H        GLY  46   6.161  -9.826   1.706
  330   2HA   GLY  46          1HA       GLY  46   5.575 -11.661   3.588
  331   1HA   GLY  46          2HA       GLY  46   3.957 -11.077   3.192
  332    H    HIS  47           H        HIS  47   4.892  -8.313   2.645
  333    HA   HIS  47           HA       HIS  47   5.317  -7.470   5.483
  334   1HB   HIS  47          1HB       HIS  47   7.076  -5.979   4.798
  335   2HB   HIS  47          2HB       HIS  47   6.732  -6.262   3.093
  336    HD1  HIS  47          1HD       HIS  47   8.492  -7.740   6.039
  337    HD2  HIS  47          2HD       HIS  47   7.639  -8.799   2.097
  338    HE1  HIS  47          1HE       HIS  47   9.944  -9.747   5.504
  339    H    THR  48           H        THR  48   4.373  -5.500   6.025
  340    HA   THR  48           HA       THR  48   2.406  -4.386   4.088
  341    HB   THR  48           HB       THR  48   2.426  -3.389   6.864
  342    HG1  THR  48          1HG       THR  48   2.806  -5.243   7.753
  343   1HG2  THR  48          1HG2      THR  48   0.167  -5.009   5.923
  344   2HG2  THR  48          2HG2      THR  48   0.597  -3.684   4.841
  345   3HG2  THR  48          3HG2      THR  48   0.191  -3.351   6.524
  346    H    ILE  49           H        ILE  49   4.178  -3.290   2.932
  347    HA   ILE  49           HA       ILE  49   5.861  -1.382   4.363
  348    HB   ILE  49           HB       ILE  49   5.389  -2.104   1.466
  349   1HG2  ILE  49          1HG2      ILE  49   7.319  -0.746   0.902
  350   2HG2  ILE  49          2HG2      ILE  49   7.573  -0.326   2.595
  351   3HG2  ILE  49          3HG2      ILE  49   6.156   0.281   1.740
  352   1HG1  ILE  49          1HG1      ILE  49   6.863  -3.235   3.638
  353   2HG1  ILE  49          2HG1      ILE  49   8.024  -2.603   2.474
  354   1HD1  ILE  49          1HD1      ILE  49   5.863  -4.658   2.046
  355   2HD1  ILE  49          2HD1      ILE  49   7.591  -4.798   1.718
  356   3HD1  ILE  49          3HD1      ILE  49   6.576  -3.785   0.691
  357    H    ALA  50           H        ALA  50   5.125   0.567   5.008
  358    HA   ALA  50           HA       ALA  50   2.747   1.774   3.849
  359   1HB   ALA  50          1HB       ALA  50   3.322   3.595   5.471
  360   2HB   ALA  50          2HB       ALA  50   4.807   2.715   5.850
  361   3HB   ALA  50          3HB       ALA  50   3.237   1.993   6.204
  362    H    VAL  51           H        VAL  51   3.600   1.772   1.651
  363    HA   VAL  51           HA       VAL  51   5.877   3.220   0.754
  364    HB   VAL  51           HB       VAL  51   4.700   3.147  -1.422
  365   1HG1  VAL  51          1HG1      VAL  51   5.685   1.061  -0.191
  366   2HG1  VAL  51          2HG1      VAL  51   4.691   0.817  -1.627
  367   3HG1  VAL  51          3HG1      VAL  51   3.997   0.581  -0.023
  368   1HG2  VAL  51          1HG2      VAL  51   2.466   3.632  -1.170
  369   2HG2  VAL  51          2HG2      VAL  51   2.356   2.809   0.384
  370   3HG2  VAL  51          3HG2      VAL  51   2.341   1.873  -1.109
  371    H    TYR  52           H        TYR  52   6.256   5.387   0.556
  372    HA   TYR  52           HA       TYR  52   4.243   7.316   1.433
  373   2HB   TYR  52          1HB       TYR  52   6.939   7.809   0.130
  374   1HB   TYR  52          2HB       TYR  52   6.774   7.371   1.828
  375    HD1  TYR  52          1HD       TYR  52   6.972  10.064  -0.409
  376    HE1  TYR  52          1HE       TYR  52   6.516  12.429   0.149
  377    HE2  TYR  52          2HE       TYR  52   4.484  11.182   3.723
  378    HD2  TYR  52          2HD       TYR  52   4.949   8.814   3.156
  379    HH   TYR  52           HH       TYR  52   5.943  13.606   2.820
  380    H    ASN  53           H        ASN  53   2.556   7.534  -0.065
  381    HA   ASN  53           HA       ASN  53   2.981   7.380  -2.932
  382   1HB   ASN  53          1HB       ASN  53   0.906   6.817  -1.512
  383   2HB   ASN  53          2HB       ASN  53   0.628   7.655  -3.037
  384   1HD2  ASN  53          1HD2      ASN  53  -0.512   9.617  -2.920
  385   2HD2  ASN  53          2HD2      ASN  53  -0.839  10.450  -1.479
  386    H    GLY  54           H        GLY  54   4.036   9.727  -0.957
  387   2HA   GLY  54          1HA       GLY  54   3.373  11.940  -2.853
  388   1HA   GLY  54          2HA       GLY  54   5.002  11.711  -2.207
  389    H    LYS  55           H        LYS  55   2.184  11.069  -0.263
  390    HA   LYS  55           HA       LYS  55   2.910  13.350   1.519
  391   2HB   LYS  55          1HB       LYS  55   1.123  14.339   0.414
  392   1HB   LYS  55          2HB       LYS  55   0.273  13.506   1.713
  393   2HG   LYS  55          1HG       LYS  55   0.244  11.513  -0.047
  394   1HG   LYS  55          2HG       LYS  55   0.389  12.841  -1.198
  395   2HD   LYS  55          1HD       LYS  55  -1.905  12.808  -1.004
  396   1HD   LYS  55          2HD       LYS  55  -1.547  13.859   0.368
  397   2HE   LYS  55          1HE       LYS  55  -1.631  11.935   1.897
  398   1HE   LYS  55          2HE       LYS  55  -1.897  10.838   0.528
  399   1HZ   LYS  55          1HZ       LYS  55  -3.894  12.097  -0.028
  400   2HZ   LYS  55          2HZ       LYS  55  -3.632  13.141   1.288
  401   3HZ   LYS  55          3HZ       LYS  55  -3.999  11.504   1.558
  402    H    GLN  56           H        GLN  56   1.491  10.140   1.130
  403    HA   GLN  56           HA       GLN  56   1.450   9.865   4.113
  404   1HB   GLN  56          1HB       GLN  56  -0.669  10.055   2.314
  405   2HB   GLN  56          2HB       GLN  56  -0.765   9.545   3.996
  406   1HG   GLN  56          1HG       GLN  56   0.114   7.342   2.348
  407   2HG   GLN  56          2HG       GLN  56  -1.373   8.018   1.706
  408   1HE2  GLN  56          1HE2      GLN  56   0.027   7.066   4.902
  409   2HE2  GLN  56          2HE2      GLN  56  -1.427   6.453   5.518
  410    H    HIS  57           H        HIS  57   1.808   7.767   4.930
  411    HA   HIS  57           HA       HIS  57   3.344   5.948   3.134
  412   1HB   HIS  57          1HB       HIS  57   4.326   5.165   5.163
  413   2HB   HIS  57          2HB       HIS  57   2.996   5.769   6.139
  414    HD1  HIS  57          1HD       HIS  57   6.115   6.898   4.368
  415    HD2  HIS  57          2HD       HIS  57   3.159   8.515   6.820
  416    HE1  HIS  57          1HE       HIS  57   6.934   9.190   5.066
  417    H    VAL  58           H        VAL  58   1.706   4.678   2.120
  418    HA   VAL  58           HA       VAL  58  -0.547   3.623   3.725
  419    HB   VAL  58           HB       VAL  58   0.284   3.213   0.828
  420   1HG1  VAL  58          1HG1      VAL  58  -2.039   2.501   0.495
  421   2HG1  VAL  58          2HG1      VAL  58  -2.383   2.764   2.205
  422   3HG1  VAL  58          3HG1      VAL  58  -1.272   1.487   1.716
  423   1HG2  VAL  58          1HG2      VAL  58  -1.639   5.177   2.119
  424   2HG2  VAL  58          2HG2      VAL  58  -1.506   4.912   0.381
  425   3HG2  VAL  58          3HG2      VAL  58  -0.140   5.574   1.278
  426    HA   PRO  59           HA       PRO  59   2.242   0.114   4.598
  427   2HB   PRO  59          1HB       PRO  59   1.756   0.369   6.855
  428   1HB   PRO  59          2HB       PRO  59   0.634  -0.972   6.544
  429   1HG   PRO  59          1HG       PRO  59  -0.222   1.343   7.535
  430   2HG   PRO  59          2HG       PRO  59  -1.183   0.444   6.348
  431   2HD   PRO  59          1HD       PRO  59   0.493   2.891   5.983
  432   1HD   PRO  59          2HD       PRO  59  -1.061   2.466   5.235
  433    H    VAL  60           H        VAL  60   1.772  -0.728   2.540
  434    HA   VAL  60           HA       VAL  60  -0.729  -2.280   2.157
  435    HB   VAL  60           HB       VAL  60   0.283  -2.562  -0.154
  436   1HG1  VAL  60          1HG1      VAL  60   0.188   0.349   0.596
  437   2HG1  VAL  60          2HG1      VAL  60  -1.264  -0.647   0.699
  438   3HG1  VAL  60          3HG1      VAL  60  -0.443  -0.442  -0.849
  439   1HG2  VAL  60          1HG2      VAL  60   2.233  -0.411   0.627
  440   2HG2  VAL  60          2HG2      VAL  60   2.261  -1.481  -0.774
  441   3HG2  VAL  60          3HG2      VAL  60   2.665  -2.111   0.822
  442    H    TYR  61           H        TYR  61  -0.690  -4.361   2.984
  443    HA   TYR  61           HA       TYR  61   1.804  -5.837   3.290
  444   2HB   TYR  61          1HB       TYR  61  -1.009  -6.960   3.253
  445   1HB   TYR  61          2HB       TYR  61  -0.346  -6.113   4.655
  446    HD1  TYR  61          1HD       TYR  61   0.637  -8.802   2.201
  447    HE1  TYR  61          1HE       TYR  61   1.838 -10.848   2.858
  448    HE2  TYR  61          2HE       TYR  61   1.999  -9.427   6.918
  449    HD2  TYR  61          2HD       TYR  61   0.783  -7.383   6.252
  450    HH   TYR  61           HH       TYR  61   2.028 -12.077   5.573
  451    H    ILE  62           H        ILE  62   2.803  -6.112   1.304
  452    HA   ILE  62           HA       ILE  62   1.296  -6.843  -1.087
  453    HB   ILE  62           HB       ILE  62   4.255  -6.770  -0.448
  454   1HG2  ILE  62          1HG2      ILE  62   3.323  -8.047  -2.553
  455   2HG2  ILE  62          2HG2      ILE  62   4.693  -6.951  -2.731
  456   3HG2  ILE  62          3HG2      ILE  62   3.076  -6.417  -3.187
  457   1HG1  ILE  62          1HG1      ILE  62   2.285  -4.692  -0.744
  458   2HG1  ILE  62          2HG1      ILE  62   3.444  -4.591  -2.064
  459   1HD1  ILE  62          1HD1      ILE  62   4.303  -4.913   0.821
  460   2HD1  ILE  62          2HD1      ILE  62   4.055  -3.329   0.084
  461   3HD1  ILE  62          3HD1      ILE  62   5.288  -4.414  -0.554
  462    H    THR  63           H        THR  63   0.968  -8.881  -1.841
  463    HA   THR  63           HA       THR  63   2.204 -11.147  -0.333
  464    HB   THR  63           HB       THR  63  -0.113 -11.347  -2.251
  465    HG1  THR  63          1HG       THR  63  -0.244 -10.501   0.450
  466   1HG2  THR  63          1HG2      THR  63   1.227 -13.100  -0.492
  467   2HG2  THR  63          2HG2      THR  63  -0.244 -13.424  -1.409
  468   3HG2  THR  63          3HG2      THR  63  -0.349 -12.786   0.232
  469    H    GLU  64           H        GLU  64   1.596 -12.949  -2.700
  470    HA   GLU  64           HA       GLU  64   4.030 -12.227  -4.218
  471   2HB   GLU  64          1HB       GLU  64   2.249 -14.630  -4.667
  472   1HB   GLU  64          2HB       GLU  64   3.296 -14.539  -3.251
  473   1HG   GLU  64          1HG       GLU  64   4.736 -13.788  -5.664
  474   2HG   GLU  64          2HG       GLU  64   4.023 -15.392  -5.828
  475    H    ASN  65           H        ASN  65   0.725 -11.530  -4.559
  476    HA   ASN  65           HA       ASN  65   1.058 -11.188  -7.521
  477   2HB   ASN  65          1HB       ASN  65  -1.650 -11.747  -6.441
  478   1HB   ASN  65          2HB       ASN  65  -0.500 -13.080  -6.337
  479   1HD2  ASN  65          1HD2      ASN  65  -1.186 -10.530  -8.823
  480   2HD2  ASN  65          2HD2      ASN  65  -1.277 -11.623 -10.119
  481    H    MET  66           H        MET  66   1.208  -9.290  -5.078
  482    HA   MET  66           HA       MET  66  -0.958  -7.385  -5.893
  483   1HB   MET  66          1HB       MET  66  -0.720  -6.522  -3.613
  484   2HB   MET  66          2HB       MET  66   0.616  -7.633  -3.317
  485   2HG   MET  66          1HG       MET  66  -0.783  -9.497  -3.252
  486   1HG   MET  66          2HG       MET  66  -2.021  -8.728  -4.245
  487   1HE   MET  66          1HE       MET  66  -2.781 -10.377  -1.964
  488   2HE   MET  66          2HE       MET  66  -4.057  -9.380  -2.658
  489   3HE   MET  66          3HE       MET  66  -3.846  -9.438  -0.910
  490    H    VAL  67           H        VAL  67   2.501  -7.797  -5.300
  491    HA   VAL  67           HA       VAL  67   3.380  -5.088  -5.475
  492    HB   VAL  67           HB       VAL  67   4.774  -6.916  -4.672
  493   1HG1  VAL  67          1HG1      VAL  67   4.187  -8.852  -5.818
  494   2HG1  VAL  67          2HG1      VAL  67   5.695  -8.447  -6.636
  495   3HG1  VAL  67          3HG1      VAL  67   4.149  -8.038  -7.382
  496   1HG2  VAL  67          1HG2      VAL  67   5.851  -5.847  -7.302
  497   2HG2  VAL  67          2HG2      VAL  67   6.815  -6.495  -5.978
  498   3HG2  VAL  67          3HG2      VAL  67   5.915  -4.995  -5.760
  499    H    GLY  68           H        GLY  68   4.589  -4.096  -7.294
  500   2HA   GLY  68          1HA       GLY  68   3.530  -4.922  -9.965
  501   1HA   GLY  68          2HA       GLY  68   5.157  -4.291  -9.730
  502    H    HIS  69           H        HIS  69   2.911  -2.615  -7.746
  503    HA   HIS  69           HA       HIS  69   2.696  -0.485  -9.840
  504   2HB   HIS  69          1HB       HIS  69   0.540   0.039  -8.665
  505   1HB   HIS  69          2HB       HIS  69   0.779  -1.375  -7.646
  506    HD1  HIS  69          1HD       HIS  69  -1.064  -0.488 -10.495
  507    HD2  HIS  69          2HD       HIS  69   1.428  -3.736  -9.668
  508    HE1  HIS  69          1HE       HIS  69  -1.689  -2.308 -12.140
  509    H    LYS  70           H        LYS  70   1.747  -0.257  -6.472
  510    HA   LYS  70           HA       LYS  70   4.054   0.960  -5.363
  511   2HB   LYS  70          1HB       LYS  70   3.944   2.794  -6.801
  512   1HB   LYS  70          2HB       LYS  70   2.995   3.374  -5.437
  513   1HG   LYS  70          1HG       LYS  70   1.549   1.860  -7.553
  514   2HG   LYS  70          2HG       LYS  70   2.086   3.486  -7.956
  515   2HD   LYS  70          1HD       LYS  70   1.025   4.015  -5.560
  516   1HD   LYS  70          2HD       LYS  70   0.063   2.588  -5.949
  517   2HE   LYS  70          1HE       LYS  70  -0.321   3.764  -8.254
  518   1HE   LYS  70          2HE       LYS  70   0.202   5.233  -7.405
  519   1HZ   LYS  70          1HZ       LYS  70  -2.218   4.835  -7.228
  520   2HZ   LYS  70          2HZ       LYS  70  -1.454   4.817  -5.712
  521   3HZ   LYS  70          3HZ       LYS  70  -1.913   3.358  -6.454
  522    H    LEU  71           H        LEU  71   0.630   0.750  -5.492
  523    HA   LEU  71           HA       LEU  71   0.133  -0.004  -2.824
  524   1HB   LEU  71          1HB       LEU  71   1.032   2.401  -2.535
  525   2HB   LEU  71          2HB       LEU  71  -0.471   2.012  -1.713
  526    HG   LEU  71           HG       LEU  71  -0.830   3.015  -4.464
  527   1HD1  LEU  71          1HD1      LEU  71  -1.979   3.637  -1.730
  528   2HD1  LEU  71          2HD1      LEU  71  -2.739   2.708  -3.023
  529   3HD1  LEU  71          3HD1      LEU  71  -2.501   4.446  -3.208
  530   1HD2  LEU  71          1HD2      LEU  71   0.137   4.905  -2.297
  531   2HD2  LEU  71          2HD2      LEU  71  -0.278   5.320  -3.960
  532   3HD2  LEU  71          3HD2      LEU  71   1.151   4.342  -3.624
  533    H    GLY  72           H        GLY  72  -0.991   1.153  -5.907
  534   2HA   GLY  72          1HA       GLY  72  -3.090   1.187  -6.921
  535   1HA   GLY  72          2HA       GLY  72  -3.817   1.238  -5.317
  536    H    GLU  73           H        GLU  73  -1.580  -1.345  -5.867
  537    HA   GLU  73           HA       GLU  73  -3.619  -3.262  -6.817
  538   2HB   GLU  73          1HB       GLU  73  -1.529  -4.790  -6.233
  539   1HB   GLU  73          2HB       GLU  73  -0.690  -3.240  -6.153
  540   2HG   GLU  73          1HG       GLU  73  -0.464  -3.985  -8.403
  541   1HG   GLU  73          2HG       GLU  73  -1.708  -2.735  -8.441
  542    H    PHE  74           H        PHE  74  -2.451  -2.010  -3.853
  543    HA   PHE  74           HA       PHE  74  -3.551  -4.309  -2.294
  544   1HB   PHE  74          1HB       PHE  74  -2.004  -3.699  -0.618
  545   2HB   PHE  74          2HB       PHE  74  -1.882  -2.044  -1.208
  546    HD1  PHE  74          1HD       PHE  74  -0.561  -1.530  -3.263
  547    HE1  PHE  74          1HE       PHE  74   1.445  -2.135  -4.566
  548    HZ   PHE  74           HZ       PHE  74   2.402  -4.408  -4.370
  549    HE2  PHE  74          2HE       PHE  74   1.357  -6.071  -2.884
  550    HD2  PHE  74          2HD       PHE  74  -0.654  -5.487  -1.588
  551    H    ALA  75           H        ALA  75  -4.012  -0.978  -3.173
  552    HA   ALA  75           HA       ALA  75  -6.301  -0.794  -1.252
  553   1HB   ALA  75          1HB       ALA  75  -4.249   1.325  -1.987
  554   2HB   ALA  75          2HB       ALA  75  -4.348   0.484  -0.441
  555   3HB   ALA  75          3HB       ALA  75  -5.638   1.583  -0.930
  556    HA   PRO  76           HA       PRO  76  -7.268   0.433  -5.691
  557   2HB   PRO  76          1HB       PRO  76  -6.759  -1.561  -6.745
  558   1HB   PRO  76          2HB       PRO  76  -8.504  -1.837  -6.588
  559   1HG   PRO  76          1HG       PRO  76  -6.576  -3.459  -5.530
  560   2HG   PRO  76          2HG       PRO  76  -8.224  -3.327  -4.903
  561   2HD   PRO  76          1HD       PRO  76  -5.727  -2.467  -3.709
  562   1HD   PRO  76          2HD       PRO  76  -7.339  -2.566  -2.977
  563    H    THR  77           H        THR  77  -8.608   1.231  -3.484
  564    HA   THR  77           HA       THR  77 -11.292   0.218  -3.158
  565    HB   THR  77           HB       THR  77  -9.873   1.589  -1.554
  566    HG1  THR  77          1HG       THR  77 -11.730   1.879  -0.667
  567   1HG2  THR  77          1HG2      THR  77 -10.891   4.006  -3.032
  568   2HG2  THR  77          2HG2      THR  77  -9.345   3.279  -3.472
  569   3HG2  THR  77          3HG2      THR  77  -9.595   3.900  -1.841
  570    H    ARG  78           H        ARG  78 -12.899   2.531  -3.316
  571    HA   ARG  78           HA       ARG  78 -13.905   2.509  -5.946
  572   2HB   ARG  78          1HB       ARG  78 -14.732   4.904  -5.080
  573   1HB   ARG  78          2HB       ARG  78 -14.057   4.312  -3.563
  574   1HG   ARG  78          1HG       ARG  78 -15.692   2.315  -4.972
  575   2HG   ARG  78          2HG       ARG  78 -16.596   3.754  -4.503
  576   1HD   ARG  78          1HD       ARG  78 -14.760   2.434  -2.507
  577   2HD   ARG  78          2HD       ARG  78 -16.390   1.788  -2.779
  578    HE   ARG  78           HE       ARG  78 -17.257   4.063  -2.208
  579   1HH1  ARG  78          1HH1      ARG  78 -15.136   5.932  -2.424
  580   2HH1  ARG  78          2HH1      ARG  78 -14.445   6.027  -0.839
  581   1HH2  ARG  78          1HH2      ARG  78 -15.868   3.049   0.249
  582   2HH2  ARG  78          2HH2      ARG  78 -14.860   4.392   0.679
  583    H    THR  79           H        THR  79 -12.944   3.196  -7.804
  584    HA   THR  79           HA       THR  79 -11.514   5.799  -7.853
  585    HB   THR  79           HB       THR  79  -9.877   3.993  -7.263
  586    HG1  THR  79          1HG       THR  79  -8.875   5.554  -8.320
  587   1HG2  THR  79          1HG2      THR  79 -11.043   2.169  -8.506
  588   2HG2  THR  79          2HG2      THR  79  -9.329   2.279  -8.908
  589   3HG2  THR  79          3HG2      THR  79 -10.539   2.919 -10.021
  590    H    TYR  80           H        TYR  80 -10.863   6.277 -10.238
  591    HA   TYR  80           HA       TYR  80 -11.594   6.657 -12.450
  592   2HB   TYR  80          1HB       TYR  80 -12.536   4.343 -13.404
  593   1HB   TYR  80          2HB       TYR  80 -11.871   3.728 -11.892
  594    HD1  TYR  80          1HD       TYR  80 -11.113   5.094 -15.187
  595    HE1  TYR  80          1HE       TYR  80  -8.836   5.153 -16.167
  596    HE2  TYR  80          2HE       TYR  80  -7.167   4.093 -12.353
  597    HD2  TYR  80          2HD       TYR  80  -9.445   4.033 -11.373
  598    HH   TYR  80           HH       TYR  80  -6.388   3.785 -15.211

  No H/Q in entry =         598
  Start of MODEL    5
    1    H    GLY   8           H        GLY   8   9.653   8.573 -12.004
    2   2HA   GLY   8          1HA       GLY   8   7.838   7.839 -13.528
    3   1HA   GLY   8          2HA       GLY   8   6.722   8.796 -12.552
    4    H    VAL   9           H        VAL   9   8.562   5.809 -12.719
    5    HA   VAL   9           HA       VAL   9   7.042   4.799 -10.332
    6    HB   VAL   9           HB       VAL   9   7.895   3.374 -12.880
    7   1HG1  VAL   9          1HG1      VAL   9   7.850   1.799 -11.053
    8   2HG1  VAL   9          2HG1      VAL   9   6.360   1.576 -11.969
    9   3HG1  VAL   9          3HG1      VAL   9   6.334   2.464 -10.445
   10   1HG2  VAL   9          1HG2      VAL   9   5.233   4.448 -11.904
   11   2HG2  VAL   9          2HG2      VAL   9   5.368   3.264 -13.205
   12   3HG2  VAL   9          3HG2      VAL   9   6.081   4.866 -13.393
   13    H    PHE  10           H        PHE  10   8.812   5.210  -8.881
   14    HA   PHE  10           HA       PHE  10  11.313   3.652  -9.413
   15   1HB   PHE  10          1HB       PHE  10  10.767   6.342  -8.667
   16   2HB   PHE  10          2HB       PHE  10  12.338   5.576  -8.826
   17    HD1  PHE  10          1HD       PHE  10   9.663   6.517  -6.467
   18    HE1  PHE  10          1HE       PHE  10  10.012   6.737  -4.023
   19    HZ   PHE  10           HZ       PHE  10  12.150   5.984  -2.999
   20    HE2  PHE  10          2HE       PHE  10  13.927   5.015  -4.431
   21    HD2  PHE  10          2HD       PHE  10  13.581   4.793  -6.870
   22    H    VAL  11           H        VAL  11  11.936   2.108  -7.897
   23    HA   VAL  11           HA       VAL  11   9.934   1.398  -5.832
   24    HB   VAL  11           HB       VAL  11  10.816  -0.308  -7.416
   25   1HG1  VAL  11          1HG1      VAL  11  13.203   0.899  -7.266
   26   2HG1  VAL  11          2HG1      VAL  11  13.051  -0.810  -7.668
   27   3HG1  VAL  11          3HG1      VAL  11  13.457  -0.326  -6.023
   28   1HG2  VAL  11          1HG2      VAL  11  11.637  -0.687  -4.517
   29   2HG2  VAL  11          2HG2      VAL  11  11.452  -1.990  -5.693
   30   3HG2  VAL  11          3HG2      VAL  11  10.052  -1.034  -5.211
   31    H    ASP  12           H        ASP  12  10.219   2.561  -3.988
   32    HA   ASP  12           HA       ASP  12  12.434   3.943  -3.119
   33   2HB   ASP  12          1HB       ASP  12  10.453   2.412  -1.420
   34   1HB   ASP  12          2HB       ASP  12  10.153   3.992  -2.153
   35    H    ASP  13           H        ASP  13  14.477   3.252  -2.797
   36    HA   ASP  13           HA       ASP  13  15.216   0.527  -2.276
   37   2HB   ASP  13          1HB       ASP  13  16.892   2.989  -1.793
   38   1HB   ASP  13          2HB       ASP  13  16.469   2.489  -3.433
   39    H    HIS  14           H        HIS  14  14.433   3.312  -0.327
   40    HA   HIS  14           HA       HIS  14  15.685   2.588   2.132
   41   2HB   HIS  14          1HB       HIS  14  13.053   3.969   2.165
   42   1HB   HIS  14          2HB       HIS  14  14.273   4.694   1.117
   43    HD1  HIS  14          1HD       HIS  14  13.407   4.110   4.697
   44    HD2  HIS  14          2HD       HIS  14  16.615   5.642   2.520
   45    HE1  HIS  14          1HE       HIS  14  14.906   5.288   6.364
   46    H    LEU  15           H        LEU  15  12.733   1.498   0.568
   47    HA   LEU  15           HA       LEU  15  11.637   0.195   2.945
   48   1HB   LEU  15          1HB       LEU  15  10.721   1.094   0.484
   49   2HB   LEU  15          2HB       LEU  15   9.795   0.102   1.600
   50    HG   LEU  15           HG       LEU  15  11.630  -1.139  -0.455
   51   1HD1  LEU  15          1HD1      LEU  15  10.932  -3.014   0.590
   52   2HD1  LEU  15          2HD1      LEU  15   9.292  -2.649   0.058
   53   3HD1  LEU  15          3HD1      LEU  15   9.857  -2.078   1.628
   54   1HD2  LEU  15          1HD2      LEU  15  10.014  -1.036  -2.099
   55   2HD2  LEU  15          2HD2      LEU  15   9.685   0.492  -1.282
   56   3HD2  LEU  15          3HD2      LEU  15   8.690  -0.922  -0.939
   57    H    LEU  16           H        LEU  16  13.535  -0.674   0.102
   58    HA   LEU  16           HA       LEU  16  13.567  -3.502   0.429
   59   2HB   LEU  16          1HB       LEU  16  15.926  -3.021  -0.746
   60   1HB   LEU  16          2HB       LEU  16  15.205  -1.418  -0.925
   61    HG   LEU  16           HG       LEU  16  13.573  -3.841  -1.570
   62   1HD1  LEU  16          1HD1      LEU  16  13.101  -1.863  -3.416
   63   2HD1  LEU  16          2HD1      LEU  16  13.538  -0.941  -1.975
   64   3HD1  LEU  16          3HD1      LEU  16  12.204  -2.091  -1.913
   65   1HD2  LEU  16          1HD2      LEU  16  14.694  -4.356  -3.473
   66   2HD2  LEU  16          2HD2      LEU  16  16.047  -3.473  -2.765
   67   3HD2  LEU  16          3HD2      LEU  16  14.949  -2.658  -3.877
   68    H    GLU  17           H        GLU  17  15.745  -0.950   1.655
   69    HA   GLU  17           HA       GLU  17  17.673  -2.582   2.948
   70   1HB   GLU  17          1HB       GLU  17  17.113   0.111   2.622
   71   2HB   GLU  17          2HB       GLU  17  18.452  -0.538   3.564
   72   2HG   GLU  17          1HG       GLU  17  17.077  -0.502   5.592
   73   1HG   GLU  17          2HG       GLU  17  15.691   0.068   4.664
   74    H    LYS  18           H        LYS  18  14.348  -1.958   3.829
   75    HA   LYS  18           HA       LYS  18  14.791  -3.093   6.561
   76   2HB   LYS  18          1HB       LYS  18  12.283  -2.231   6.645
   77   1HB   LYS  18          2HB       LYS  18  12.785  -1.307   5.229
   78   2HG   LYS  18          1HG       LYS  18  13.305   0.153   6.987
   79   1HG   LYS  18          2HG       LYS  18  14.847  -0.658   6.711
   80   1HD   LYS  18          1HD       LYS  18  13.254  -2.227   8.531
   81   2HD   LYS  18          2HD       LYS  18  13.341  -0.566   9.117
   82   2HE   LYS  18          1HE       LYS  18  15.787  -0.617   9.014
   83   1HE   LYS  18          2HE       LYS  18  15.747  -2.235   8.287
   84   1HZ   LYS  18          1HZ       LYS  18  16.055  -2.319  10.712
   85   2HZ   LYS  18          2HZ       LYS  18  14.593  -3.049  10.246
   86   3HZ   LYS  18          3HZ       LYS  18  14.589  -1.494  10.932
   87    H    VAL  19           H        VAL  19  13.257  -3.778   3.453
   88    HA   VAL  19           HA       VAL  19  11.580  -5.930   4.566
   89    HB   VAL  19           HB       VAL  19  11.165  -4.299   2.563
   90   1HG1  VAL  19          1HG1      VAL  19  12.632  -6.553   1.175
   91   2HG1  VAL  19          2HG1      VAL  19  13.260  -4.918   1.376
   92   3HG1  VAL  19          3HG1      VAL  19  11.820  -5.195   0.393
   93   1HG2  VAL  19          1HG2      VAL  19   9.380  -5.684   2.671
   94   2HG2  VAL  19          2HG2      VAL  19  10.393  -7.058   3.126
   95   3HG2  VAL  19          3HG2      VAL  19  10.185  -6.636   1.422
   96    H    LEU  20           H        LEU  20  14.526  -5.678   2.570
   97    HA   LEU  20           HA       LEU  20  14.873  -8.525   2.140
   98   1HB   LEU  20          1HB       LEU  20  17.086  -7.893   1.412
   99   2HB   LEU  20          2HB       LEU  20  17.062  -6.431   2.395
  100    HG   LEU  20           HG       LEU  20  15.084  -5.687   0.954
  101   1HD1  LEU  20          1HD1      LEU  20  17.786  -6.050  -0.369
  102   2HD1  LEU  20          2HD1      LEU  20  17.372  -4.766   0.767
  103   3HD1  LEU  20          3HD1      LEU  20  16.576  -4.844  -0.806
  104   1HD2  LEU  20          1HD2      LEU  20  14.488  -7.775  -0.087
  105   2HD2  LEU  20          2HD2      LEU  20  16.133  -8.017  -0.673
  106   3HD2  LEU  20          3HD2      LEU  20  15.132  -6.737  -1.357
  107    H    GLU  21           H        GLU  21  15.828  -6.165   4.527
  108    HA   GLU  21           HA       GLU  21  17.467  -7.794   6.204
  109   2HB   GLU  21          1HB       GLU  21  15.613  -5.551   7.027
  110   1HB   GLU  21          2HB       GLU  21  17.112  -5.263   6.145
  111   2HG   GLU  21          1HG       GLU  21  18.433  -5.782   7.955
  112   1HG   GLU  21          2HG       GLU  21  17.297  -6.984   8.569
  113    H    LEU  22           H        LEU  22  13.930  -7.339   5.984
  114    HA   LEU  22           HA       LEU  22  13.377  -8.882   8.426
  115   2HB   LEU  22          1HB       LEU  22  11.056  -8.800   6.953
  116   1HB   LEU  22          2HB       LEU  22  11.932  -7.418   6.298
  117    HG   LEU  22           HG       LEU  22  10.654  -6.589   8.151
  118   1HD1  LEU  22          1HD1      LEU  22  10.117  -8.718   9.210
  119   2HD1  LEU  22          2HD1      LEU  22  10.824  -7.635  10.408
  120   3HD1  LEU  22          3HD1      LEU  22  11.796  -8.928   9.706
  121   1HD2  LEU  22          1HD2      LEU  22  13.185  -6.987   9.658
  122   2HD2  LEU  22          2HD2      LEU  22  12.338  -5.494   9.254
  123   3HD2  LEU  22          3HD2      LEU  22  13.352  -6.286   8.050
  124    H    ASN  23           H        ASN  23  13.826  -9.545   5.017
  125    HA   ASN  23           HA       ASN  23  12.667 -12.247   5.124
  126   2HB   ASN  23          1HB       ASN  23  13.961 -12.225   2.816
  127   1HB   ASN  23          2HB       ASN  23  14.108 -10.498   3.146
  128   1HD2  ASN  23          1HD2      ASN  23  12.333  -9.239   2.525
  129   2HD2  ASN  23          2HD2      ASN  23  10.782  -9.846   2.198
  130    H    ALA  24           H        ALA  24  15.646 -10.795   6.027
  131    HA   ALA  24           HA       ALA  24  17.356 -13.087   5.527
  132   1HB   ALA  24          1HB       ALA  24  17.716 -10.599   7.218
  133   2HB   ALA  24          2HB       ALA  24  18.099 -10.706   5.499
  134   3HB   ALA  24          3HB       ALA  24  19.007 -11.667   6.667
  135    H    LYS  25           H        LYS  25  15.608 -11.628   8.247
  136    HA   LYS  25           HA       LYS  25  16.605 -13.627  10.169
  137   1HB   LYS  25          1HB       LYS  25  15.265 -12.335  11.743
  138   2HB   LYS  25          2HB       LYS  25  14.404 -11.551  10.420
  139   2HG   LYS  25          1HG       LYS  25  16.774 -10.748   9.680
  140   1HG   LYS  25          2HG       LYS  25  17.238 -11.132  11.339
  141   2HD   LYS  25          1HD       LYS  25  15.810  -9.510  12.242
  142   1HD   LYS  25          2HD       LYS  25  14.777  -9.485  10.811
  143   2HE   LYS  25          1HE       LYS  25  16.037  -7.858   9.844
  144   1HE   LYS  25          2HE       LYS  25  17.546  -8.720  10.203
  145   1HZ   LYS  25          1HZ       LYS  25  17.379  -6.635  11.454
  146   2HZ   LYS  25          2HZ       LYS  25  17.369  -7.973  12.501
  147   3HZ   LYS  25          3HZ       LYS  25  15.922  -7.153  12.152
  148    H    GLY  26           H        GLY  26  13.913 -13.116   8.031
  149   2HA   GLY  26          1HA       GLY  26  12.726 -15.703   8.862
  150   1HA   GLY  26          2HA       GLY  26  12.348 -14.821   7.381
  151    H    GLU  27           H        GLU  27  12.268 -12.321   9.306
  152    HA   GLU  27           HA       GLU  27   9.702 -12.857  10.716
  153   2HB   GLU  27          1HB       GLU  27  10.211 -10.459  11.511
  154   1HB   GLU  27          2HB       GLU  27  11.747 -10.627  10.659
  155   2HG   GLU  27          1HG       GLU  27  12.257 -12.645  12.002
  156   1HG   GLU  27          2HG       GLU  27  10.728 -12.453  12.861
  157    H    LYS  28           H        LYS  28   7.777 -11.784  10.170
  158    HA   LYS  28           HA       LYS  28   7.767 -10.354   7.536
  159   2HB   LYS  28          1HB       LYS  28   5.243 -11.062   7.816
  160   1HB   LYS  28          2HB       LYS  28   5.882 -12.165   9.032
  161   2HG   LYS  28          1HG       LYS  28   7.497 -13.024   7.309
  162   1HG   LYS  28          2HG       LYS  28   6.689 -12.014   6.110
  163   2HD   LYS  28          1HD       LYS  28   4.582 -13.347   7.322
  164   1HD   LYS  28          2HD       LYS  28   5.849 -14.574   7.273
  165   2HE   LYS  28          1HE       LYS  28   6.082 -14.341   4.878
  166   1HE   LYS  28          2HE       LYS  28   5.044 -12.902   4.865
  167   1HZ   LYS  28          1HZ       LYS  28   4.230 -15.628   5.755
  168   2HZ   LYS  28          2HZ       LYS  28   3.806 -14.916   4.272
  169   3HZ   LYS  28          3HZ       LYS  28   3.233 -14.256   5.728
  170    H    ARG  29           H        ARG  29   8.233  -8.258   8.488
  171    HA   ARG  29           HA       ARG  29   6.130  -7.193  10.338
  172   2HB   ARG  29          1HB       ARG  29   8.631  -5.680   9.896
  173   1HB   ARG  29          2HB       ARG  29   8.867  -7.294  10.551
  174   2HG   ARG  29          1HG       ARG  29   7.021  -6.689  12.246
  175   1HG   ARG  29          2HG       ARG  29   7.267  -5.022  11.727
  176   2HD   ARG  29          1HD       ARG  29   8.701  -5.367  13.645
  177   1HD   ARG  29          2HD       ARG  29   9.763  -5.388  12.223
  178    HE   ARG  29           HE       ARG  29   8.784  -8.043  12.721
  179   1HH1  ARG  29          1HH1      ARG  29   9.390  -7.721  15.489
  180   2HH1  ARG  29          2HH1      ARG  29  11.105  -7.940  15.600
  181   1HH2  ARG  29          1HH2      ARG  29  11.659  -7.436  12.208
  182   2HH2  ARG  29          2HH2      ARG  29  12.392  -7.779  13.739
  183    H    LEU  30           H        LEU  30   6.854  -4.441   9.826
  184    HA   LEU  30           HA       LEU  30   5.811  -4.107   7.038
  185   1HB   LEU  30          1HB       LEU  30   4.521  -3.586   9.361
  186   2HB   LEU  30          2HB       LEU  30   4.231  -2.671   7.891
  187    HG   LEU  30           HG       LEU  30   6.507  -1.593   9.345
  188   1HD1  LEU  30          1HD1      LEU  30   5.516  -0.175   7.775
  189   2HD1  LEU  30          2HD1      LEU  30   4.811   0.413   9.280
  190   3HD1  LEU  30          3HD1      LEU  30   3.881  -0.654   8.229
  191   1HD2  LEU  30          1HD2      LEU  30   3.833  -1.692  10.778
  192   2HD2  LEU  30          2HD2      LEU  30   5.231  -0.742  11.281
  193   3HD2  LEU  30          3HD2      LEU  30   5.308  -2.504  11.305
  194    H    ILE  31           H        ILE  31   6.605  -2.236   5.875
  195    HA   ILE  31           HA       ILE  31   9.107  -1.004   6.988
  196    HB   ILE  31           HB       ILE  31   8.526  -2.095   4.212
  197   1HG2  ILE  31          1HG2      ILE  31  10.845  -0.511   5.328
  198   2HG2  ILE  31          2HG2      ILE  31   9.900  -0.183   3.877
  199   3HG2  ILE  31          3HG2      ILE  31  11.022  -1.542   3.908
  200   1HG1  ILE  31          1HG1      ILE  31   9.620  -3.238   6.616
  201   2HG1  ILE  31          2HG1      ILE  31  10.879  -3.171   5.383
  202   1HD1  ILE  31          1HD1      ILE  31   9.196  -4.199   3.780
  203   2HD1  ILE  31          2HD1      ILE  31   8.152  -4.470   5.176
  204   3HD1  ILE  31          3HD1      ILE  31   9.727  -5.260   5.087
  205    H    LYS  32           H        LYS  32   8.854   1.198   7.071
  206    HA   LYS  32           HA       LYS  32   6.801   2.490   5.333
  207   2HB   LYS  32          1HB       LYS  32   7.130   4.366   6.961
  208   1HB   LYS  32          2HB       LYS  32   8.353   3.395   7.778
  209   1HG   LYS  32          1HG       LYS  32   5.916   1.864   7.381
  210   2HG   LYS  32          2HG       LYS  32   5.580   3.362   8.249
  211   2HD   LYS  32          1HD       LYS  32   7.939   2.434   9.412
  212   1HD   LYS  32          2HD       LYS  32   6.997   0.966   9.150
  213   2HE   LYS  32          1HE       LYS  32   5.058   2.037  10.306
  214   1HE   LYS  32          2HE       LYS  32   6.066   3.464  10.621
  215   1HZ   LYS  32          1HZ       LYS  32   6.094   1.824  12.461
  216   2HZ   LYS  32          2HZ       LYS  32   7.635   2.083  11.793
  217   3HZ   LYS  32          3HZ       LYS  32   6.763   0.676  11.408
  218    H    THR  33           H        THR  33   7.320   4.393   4.118
  219    HA   THR  33           HA       THR  33  10.213   5.048   3.772
  220    HB   THR  33           HB       THR  33   9.916   3.511   2.012
  221    HG1  THR  33          1HG       THR  33   9.003   5.793   0.660
  222   1HG2  THR  33          1HG2      THR  33   7.692   2.898   1.933
  223   2HG2  THR  33          2HG2      THR  33   7.784   3.895   0.481
  224   3HG2  THR  33          3HG2      THR  33   7.122   4.568   1.969
  225    H    TRP  34           H        TRP  34  10.453   7.118   2.463
  226    HA   TRP  34           HA       TRP  34   8.054   8.896   2.540
  227   1HB   TRP  34          1HB       TRP  34   9.294  10.539   3.865
  228   2HB   TRP  34          2HB       TRP  34  10.731   9.518   3.834
  229    HD1  TRP  34           HD       TRP  34   7.331   9.859   5.465
  230    HE3  TRP  34          3HE       TRP  34  11.593   7.192   4.701
  231    HE1  TRP  34          1HE       TRP  34   7.173   8.211   7.445
  232    HZ3  TRP  34          3HZ       TRP  34  12.217   5.335   6.223
  233    HZ2  TRP  34          2HZ       TRP  34   8.676   6.035   8.554
  234    HH2  TRP  34           HH       TRP  34  10.762   4.751   8.145
  235    H    SER  35           H        SER  35   9.379   7.830   0.229
  236    HA   SER  35           HA       SER  35  11.187   9.948  -0.771
  237   2HB   SER  35          1HB       SER  35  10.807   8.239  -2.843
  238   1HB   SER  35          2HB       SER  35  10.363   7.191  -1.500
  239    HG   SER  35           HG       SER  35  12.368   7.072  -0.958
  240    H    ARG  36           H        ARG  36   8.653   8.355  -2.685
  241    HA   ARG  36           HA       ARG  36   6.812  10.554  -2.848
  242   2HB   ARG  36          1HB       ARG  36   8.128  10.661  -5.423
  243   1HB   ARG  36          2HB       ARG  36   9.305  10.957  -4.145
  244   2HG   ARG  36          1HG       ARG  36   7.275  12.491  -3.237
  245   1HG   ARG  36          2HG       ARG  36   6.941  12.570  -4.968
  246   1HD   ARG  36          1HD       ARG  36   9.759  13.010  -3.998
  247   2HD   ARG  36          2HD       ARG  36   8.580  14.333  -3.900
  248    HE   ARG  36           HE       ARG  36   8.204  13.982  -6.370
  249   1HH1  ARG  36          1HH1      ARG  36  10.845  15.143  -6.324
  250   2HH1  ARG  36          2HH1      ARG  36  11.840  13.976  -7.130
  251   1HH2  ARG  36          1HH2      ARG  36   9.546  11.390  -6.788
  252   2HH2  ARG  36          2HH2      ARG  36  11.103  11.847  -7.393
  253    H    ARG  37           H        ARG  37   8.374   8.469  -5.325
  254    HA   ARG  37           HA       ARG  37   5.675   7.410  -6.060
  255   2HB   ARG  37          1HB       ARG  37   7.003   6.625  -8.088
  256   1HB   ARG  37          2HB       ARG  37   8.395   7.470  -7.409
  257   2HG   ARG  37          1HG       ARG  37   6.315   9.339  -7.281
  258   1HG   ARG  37          2HG       ARG  37   6.099   8.549  -8.844
  259   2HD   ARG  37          1HD       ARG  37   8.542   8.959  -9.314
  260   1HD   ARG  37          2HD       ARG  37   8.620   9.900  -7.812
  261    HE   ARG  37           HE       ARG  37   6.954  10.593 -10.201
  262   1HH1  ARG  37          1HH1      ARG  37   8.881  12.590  -9.879
  263   2HH1  ARG  37          2HH1      ARG  37   8.229  13.709  -8.728
  264   1HH2  ARG  37          1HH2      ARG  37   5.852  11.486  -7.514
  265   2HH2  ARG  37          2HH2      ARG  37   6.510  13.082  -7.387
  266    H    SER  38           H        SER  38   7.052   6.518  -3.639
  267    HA   SER  38           HA       SER  38   8.583   4.249  -3.614
  268   2HB   SER  38          1HB       SER  38   6.807   3.634  -1.701
  269   1HB   SER  38          2HB       SER  38   6.252   5.272  -2.052
  270    HG   SER  38           HG       SER  38   8.108   6.096  -1.397
  271    H    THR  39           H        THR  39   8.448   2.499  -4.930
  272    HA   THR  39           HA       THR  39   5.775   1.359  -5.616
  273    HB   THR  39           HB       THR  39   8.526   1.165  -6.885
  274    HG1  THR  39          1HG       THR  39   7.671   2.951  -7.650
  275   1HG2  THR  39          1HG2      THR  39   6.976   0.009  -8.723
  276   2HG2  THR  39          2HG2      THR  39   6.035  -0.442  -7.301
  277   3HG2  THR  39          3HG2      THR  39   7.722  -0.936  -7.435
  278    H    ILE  40           H        ILE  40   5.610  -1.012  -5.559
  279    HA   ILE  40           HA       ILE  40   6.771  -2.148  -3.142
  280    HB   ILE  40           HB       ILE  40   5.346  -3.669  -5.329
  281   1HG2  ILE  40          1HG2      ILE  40   5.335  -3.777  -2.300
  282   2HG2  ILE  40          2HG2      ILE  40   6.103  -4.933  -3.388
  283   3HG2  ILE  40          3HG2      ILE  40   4.346  -4.794  -3.348
  284   1HG1  ILE  40          1HG1      ILE  40   4.393  -1.280  -4.042
  285   2HG1  ILE  40          2HG1      ILE  40   3.465  -2.653  -3.449
  286   1HD1  ILE  40          1HD1      ILE  40   2.577  -1.573  -5.575
  287   2HD1  ILE  40          2HD1      ILE  40   2.859  -3.309  -5.677
  288   3HD1  ILE  40          3HD1      ILE  40   4.016  -2.184  -6.387
  289    H    VAL  41           H        VAL  41   7.952  -4.256  -3.133
  290    HA   VAL  41           HA       VAL  41   9.827  -4.573  -5.471
  291    HB   VAL  41           HB       VAL  41  11.044  -5.618  -3.148
  292   1HG1  VAL  41          1HG1      VAL  41  11.765  -4.076  -5.232
  293   2HG1  VAL  41          2HG1      VAL  41  12.752  -4.226  -3.778
  294   3HG1  VAL  41          3HG1      VAL  41  11.690  -2.834  -3.984
  295   1HG2  VAL  41          1HG2      VAL  41   9.423  -4.396  -1.742
  296   2HG2  VAL  41          2HG2      VAL  41   9.813  -2.892  -2.579
  297   3HG2  VAL  41          3HG2      VAL  41  11.031  -3.690  -1.585
  298    HA   PRO  42           HA       PRO  42   8.978  -8.852  -5.533
  299   2HB   PRO  42          1HB       PRO  42  10.863  -9.189  -6.802
  300   1HB   PRO  42          2HB       PRO  42  11.400 -10.095  -5.375
  301   1HG   PRO  42          1HG       PRO  42  12.820  -8.077  -6.371
  302   2HG   PRO  42          2HG       PRO  42  12.711  -8.361  -4.627
  303   2HD   PRO  42          1HD       PRO  42  11.415  -6.274  -6.300
  304   1HD   PRO  42          2HD       PRO  42  11.962  -6.204  -4.611
  305    H    GLU  43           H        GLU  43  11.113  -7.947  -2.857
  306    HA   GLU  43           HA       GLU  43  10.481 -10.323  -1.260
  307   2HB   GLU  43          1HB       GLU  43  11.839  -8.949   0.435
  308   1HB   GLU  43          2HB       GLU  43  12.028  -7.757  -0.849
  309   2HG   GLU  43          1HG       GLU  43  13.824  -8.969  -1.499
  310   1HG   GLU  43          2HG       GLU  43  12.663 -10.149  -2.108
  311    H    MET  44           H        MET  44   8.479  -8.020  -2.110
  312    HA   MET  44           HA       MET  44   7.513  -6.913   0.422
  313   1HB   MET  44          1HB       MET  44   7.517  -6.101  -2.111
  314   2HB   MET  44          2HB       MET  44   6.214  -5.635  -1.023
  315   2HG   MET  44          1HG       MET  44   5.261  -6.456  -3.130
  316   1HG   MET  44          2HG       MET  44   4.881  -7.577  -1.835
  317   1HE   MET  44          1HE       MET  44   5.148 -10.182  -4.503
  318   2HE   MET  44          2HE       MET  44   4.156  -8.823  -3.985
  319   3HE   MET  44          3HE       MET  44   4.671 -10.025  -2.810
  320    H    VAL  45           H        VAL  45   6.939  -9.801  -1.369
  321    HA   VAL  45           HA       VAL  45   4.216 -10.348  -0.966
  322    HB   VAL  45           HB       VAL  45   5.556 -11.599  -2.492
  323   1HG1  VAL  45          1HG1      VAL  45   7.771 -11.396  -1.712
  324   2HG1  VAL  45          2HG1      VAL  45   7.433 -13.118  -1.504
  325   3HG1  VAL  45          3HG1      VAL  45   7.360 -12.034  -0.116
  326   1HG2  VAL  45          1HG2      VAL  45   4.931 -13.797  -2.039
  327   2HG2  VAL  45          2HG2      VAL  45   3.858 -12.906  -0.961
  328   3HG2  VAL  45          3HG2      VAL  45   5.316 -13.663  -0.323
  329    H    GLY  46           H        GLY  46   6.153  -9.778   1.671
  330   2HA   GLY  46          1HA       GLY  46   6.076 -11.712   3.540
  331   1HA   GLY  46          2HA       GLY  46   4.355 -11.366   3.379
  332    H    HIS  47           H        HIS  47   4.896  -8.437   2.836
  333    HA   HIS  47           HA       HIS  47   5.340  -7.688   5.698
  334   1HB   HIS  47          1HB       HIS  47   7.045  -6.096   5.123
  335   2HB   HIS  47          2HB       HIS  47   6.738  -6.291   3.400
  336    HD1  HIS  47          1HD       HIS  47   8.614  -7.777   6.243
  337    HD2  HIS  47          2HD       HIS  47   7.687  -8.792   2.306
  338    HE1  HIS  47          1HE       HIS  47  10.136  -9.706   5.624
  339    H    THR  48           H        THR  48   4.543  -5.588   6.217
  340    HA   THR  48           HA       THR  48   2.391  -4.578   4.438
  341    HB   THR  48           HB       THR  48   2.716  -3.428   7.140
  342    HG1  THR  48          1HG       THR  48   3.163  -5.238   8.086
  343   1HG2  THR  48          1HG2      THR  48   0.688  -3.528   5.467
  344   2HG2  THR  48          2HG2      THR  48   0.403  -3.625   7.204
  345   3HG2  THR  48          3HG2      THR  48   0.400  -5.094   6.226
  346    H    ILE  49           H        ILE  49   4.121  -3.644   3.061
  347    HA   ILE  49           HA       ILE  49   5.952  -1.658   4.164
  348    HB   ILE  49           HB       ILE  49   5.151  -2.487   1.360
  349   1HG2  ILE  49          1HG2      ILE  49   7.382  -0.640   2.275
  350   2HG2  ILE  49          2HG2      ILE  49   5.985  -0.179   1.304
  351   3HG2  ILE  49          3HG2      ILE  49   7.201  -1.269   0.638
  352   2HG1  ILE  49          1HG1      ILE  49   6.401  -4.069   2.979
  353   1HG1  ILE  49          2HG1      ILE  49   7.759  -2.959   2.819
  354   1HD1  ILE  49          1HD1      ILE  49   6.933  -3.377   0.190
  355   2HD1  ILE  49          2HD1      ILE  49   6.773  -4.965   0.940
  356   3HD1  ILE  49          3HD1      ILE  49   8.324  -4.129   0.969
  357    H    ALA  50           H        ALA  50   5.305   0.355   4.777
  358    HA   ALA  50           HA       ALA  50   2.858   1.542   3.719
  359   1HB   ALA  50          1HB       ALA  50   3.538   3.444   5.230
  360   2HB   ALA  50          2HB       ALA  50   5.010   2.537   5.599
  361   3HB   ALA  50          3HB       ALA  50   3.437   1.880   6.048
  362    H    VAL  51           H        VAL  51   3.395   1.643   1.497
  363    HA   VAL  51           HA       VAL  51   5.739   2.983   0.481
  364    HB   VAL  51           HB       VAL  51   4.549   2.875  -1.653
  365   1HG1  VAL  51          1HG1      VAL  51   3.687   0.422  -0.127
  366   2HG1  VAL  51          2HG1      VAL  51   5.391   0.759  -0.429
  367   3HG1  VAL  51          3HG1      VAL  51   4.282   0.535  -1.783
  368   1HG2  VAL  51          1HG2      VAL  51   2.136   2.464   0.126
  369   2HG2  VAL  51          2HG2      VAL  51   2.134   1.969  -1.566
  370   3HG2  VAL  51          3HG2      VAL  51   2.363   3.666  -1.144
  371    H    TYR  52           H        TYR  52   6.160   5.147   0.343
  372    HA   TYR  52           HA       TYR  52   4.233   7.088   1.350
  373   2HB   TYR  52          1HB       TYR  52   6.904   7.497  -0.048
  374   1HB   TYR  52          2HB       TYR  52   6.743   7.133   1.670
  375    HD1  TYR  52          1HD       TYR  52   4.618   8.691   2.690
  376    HE1  TYR  52          1HE       TYR  52   4.279  11.092   3.200
  377    HE2  TYR  52          2HE       TYR  52   7.064  12.142   0.104
  378    HD2  TYR  52          2HD       TYR  52   7.407   9.740  -0.400
  379    HH   TYR  52           HH       TYR  52   4.923  13.491   1.276
  380    H    ASN  53           H        ASN  53   2.494   7.456  -0.008
  381    HA   ASN  53           HA       ASN  53   2.619   7.337  -2.897
  382   2HB   ASN  53          1HB       ASN  53   0.658   8.471  -0.881
  383   1HB   ASN  53          2HB       ASN  53   0.586   6.892  -1.659
  384   1HD2  ASN  53          1HD2      ASN  53  -0.201  10.278  -2.027
  385   2HD2  ASN  53          2HD2      ASN  53  -0.907  10.152  -3.565
  386    H    GLY  54           H        GLY  54   3.914   9.617  -0.827
  387   2HA   GLY  54          1HA       GLY  54   3.547  11.840  -2.795
  388   1HA   GLY  54          2HA       GLY  54   5.090  11.522  -1.991
  389    H    LYS  55           H        LYS  55   2.229  10.949  -0.166
  390    HA   LYS  55           HA       LYS  55   2.799  13.327   1.532
  391   2HB   LYS  55          1HB       LYS  55   0.990  14.143   0.290
  392   1HB   LYS  55          2HB       LYS  55   0.181  13.415   1.675
  393   2HG   LYS  55          1HG       LYS  55  -0.006  11.284   0.271
  394   1HG   LYS  55          2HG       LYS  55   0.466  12.277  -1.109
  395   2HD   LYS  55          1HD       LYS  55  -1.451  13.727  -0.791
  396   1HD   LYS  55          2HD       LYS  55  -1.866  12.919   0.722
  397   2HE   LYS  55          1HE       LYS  55  -2.202  10.788  -0.581
  398   1HE   LYS  55          2HE       LYS  55  -1.945  11.716  -2.071
  399   1HZ   LYS  55          1HZ       LYS  55  -3.736  13.203  -1.394
  400   2HZ   LYS  55          2HZ       LYS  55  -3.976  12.308   0.030
  401   3HZ   LYS  55          3HZ       LYS  55  -4.304  11.608  -1.482
  402    H    GLN  56           H        GLN  56   1.446  10.065   1.215
  403    HA   GLN  56           HA       GLN  56   1.516   9.815   4.196
  404   1HB   GLN  56          1HB       GLN  56  -0.687   9.996   2.499
  405   2HB   GLN  56          2HB       GLN  56  -0.704   9.481   4.181
  406   1HG   GLN  56          1HG       GLN  56   0.111   7.291   2.482
  407   2HG   GLN  56          2HG       GLN  56  -1.412   7.959   1.920
  408   1HE2  GLN  56          1HE2      GLN  56   0.161   6.984   5.033
  409   2HE2  GLN  56          2HE2      GLN  56  -1.261   6.366   5.720
  410    H    HIS  57           H        HIS  57   1.887   7.690   4.989
  411    HA   HIS  57           HA       HIS  57   3.311   5.872   3.105
  412   1HB   HIS  57          1HB       HIS  57   4.662   5.402   4.903
  413   2HB   HIS  57          2HB       HIS  57   3.314   5.317   6.016
  414    HD1  HIS  57          1HD       HIS  57   5.403   7.968   4.243
  415    HD2  HIS  57          2HD       HIS  57   3.084   7.513   7.675
  416    HE1  HIS  57          1HE       HIS  57   5.588  10.143   5.529
  417    H    VAL  58           H        VAL  58   1.843   4.347   2.312
  418    HA   VAL  58           HA       VAL  58  -0.409   3.475   4.065
  419    HB   VAL  58           HB       VAL  58   0.177   2.866   1.146
  420   1HG1  VAL  58          1HG1      VAL  58  -2.542   3.050   2.408
  421   2HG1  VAL  58          2HG1      VAL  58  -1.587   1.584   2.629
  422   3HG1  VAL  58          3HG1      VAL  58  -2.024   2.113   1.005
  423   1HG2  VAL  58          1HG2      VAL  58  -1.420   5.143   2.372
  424   2HG2  VAL  58          2HG2      VAL  58  -1.377   4.753   0.654
  425   3HG2  VAL  58          3HG2      VAL  58   0.087   5.305   1.469
  426    HA   PRO  59           HA       PRO  59   2.516  -0.003   4.706
  427   2HB   PRO  59          1HB       PRO  59   2.609   0.503   6.973
  428   1HB   PRO  59          2HB       PRO  59   1.414  -0.807   7.088
  429   1HG   PRO  59          1HG       PRO  59   0.895   1.653   7.989
  430   2HG   PRO  59          2HG       PRO  59  -0.356   0.665   7.215
  431   2HD   PRO  59          1HD       PRO  59   1.156   2.999   6.149
  432   1HD   PRO  59          2HD       PRO  59  -0.519   2.500   5.838
  433    H    VAL  60           H        VAL  60   1.644  -1.172   3.026
  434    HA   VAL  60           HA       VAL  60  -0.897  -2.668   3.547
  435    HB   VAL  60           HB       VAL  60   0.603  -2.080   0.980
  436   1HG1  VAL  60          1HG1      VAL  60  -2.082  -3.333   1.589
  437   2HG1  VAL  60          2HG1      VAL  60  -0.722  -4.059   0.726
  438   3HG1  VAL  60          3HG1      VAL  60  -1.637  -2.738  -0.010
  439   1HG2  VAL  60          1HG2      VAL  60  -1.597  -0.661   2.462
  440   2HG2  VAL  60          2HG2      VAL  60  -1.559  -0.600   0.700
  441   3HG2  VAL  60          3HG2      VAL  60  -0.194   0.018   1.635
  442    H    TYR  61           H        TYR  61  -0.749  -4.833   3.885
  443    HA   TYR  61           HA       TYR  61   1.774  -6.274   3.658
  444   2HB   TYR  61          1HB       TYR  61  -0.905  -7.628   3.808
  445   1HB   TYR  61          2HB       TYR  61  -0.412  -6.615   5.166
  446    HD1  TYR  61          1HD       TYR  61   1.051  -7.459   6.794
  447    HE1  TYR  61          1HE       TYR  61   2.526  -9.268   7.614
  448    HE2  TYR  61          2HE       TYR  61   2.284 -11.207   3.786
  449    HD2  TYR  61          2HD       TYR  61   0.815  -9.391   2.964
  450    HH   TYR  61           HH       TYR  61   4.229 -11.115   6.042
  451    H    ILE  62           H        ILE  62   2.470  -6.339   1.551
  452    HA   ILE  62           HA       ILE  62   0.801  -6.404  -0.743
  453    HB   ILE  62           HB       ILE  62   3.681  -7.220  -0.377
  454   1HG2  ILE  62          1HG2      ILE  62   3.275  -7.947  -2.533
  455   2HG2  ILE  62          2HG2      ILE  62   3.489  -6.235  -2.897
  456   3HG2  ILE  62          3HG2      ILE  62   1.868  -6.904  -2.734
  457   1HG1  ILE  62          1HG1      ILE  62   2.267  -4.667  -0.294
  458   2HG1  ILE  62          2HG1      ILE  62   3.440  -4.693  -1.610
  459   1HD1  ILE  62          1HD1      ILE  62   3.881  -4.669   1.299
  460   2HD1  ILE  62          2HD1      ILE  62   4.950  -4.154  -0.005
  461   3HD1  ILE  62          3HD1      ILE  62   4.858  -5.858   0.440
  462    H    THR  63           H        THR  63   2.860  -9.120   0.341
  463    HA   THR  63           HA       THR  63   2.485 -11.452   0.123
  464    HB   THR  63           HB       THR  63  -0.270 -10.765  -0.936
  465    HG1  THR  63          1HG       THR  63  -0.718  -9.934   0.922
  466   1HG2  THR  63          1HG2      THR  63   0.969 -13.084   0.546
  467   2HG2  THR  63          2HG2      THR  63   0.197 -13.090  -1.042
  468   3HG2  THR  63          3HG2      THR  63  -0.778 -12.874   0.413
  469    H    GLU  64           H        GLU  64   1.983 -13.005  -1.842
  470    HA   GLU  64           HA       GLU  64   3.310 -11.889  -4.185
  471   2HB   GLU  64          1HB       GLU  64   1.988 -14.574  -4.185
  472   1HB   GLU  64          2HB       GLU  64   3.269 -14.299  -3.006
  473   2HG   GLU  64          1HG       GLU  64   4.568 -14.999  -4.777
  474   1HG   GLU  64          2HG       GLU  64   4.493 -13.280  -5.165
  475    H    ASN  65           H        ASN  65   1.324 -10.266  -4.330
  476    HA   ASN  65           HA       ASN  65  -0.284 -11.080  -6.617
  477   2HB   ASN  65          1HB       ASN  65  -1.831 -10.499  -4.098
  478   1HB   ASN  65          2HB       ASN  65  -1.277 -12.135  -4.458
  479   1HD2  ASN  65          1HD2      ASN  65  -3.552  -9.612  -5.402
  480   2HD2  ASN  65          2HD2      ASN  65  -4.392 -10.540  -6.548
  481    H    MET  66           H        MET  66   0.492  -8.633  -4.159
  482    HA   MET  66           HA       MET  66  -0.963  -6.577  -5.806
  483   2HB   MET  66          1HB       MET  66  -0.837  -5.280  -3.711
  484   1HB   MET  66          2HB       MET  66   0.016  -6.623  -2.952
  485   2HG   MET  66          1HG       MET  66  -2.011  -8.055  -3.715
  486   1HG   MET  66          2HG       MET  66  -2.834  -6.513  -3.948
  487   1HE   MET  66          1HE       MET  66  -3.870  -8.805  -1.802
  488   2HE   MET  66          2HE       MET  66  -2.874  -8.899  -0.353
  489   3HE   MET  66          3HE       MET  66  -2.176  -9.301  -1.919
  490    H    VAL  67           H        VAL  67   2.116  -7.730  -5.786
  491    HA   VAL  67           HA       VAL  67   3.556  -5.154  -5.551
  492    HB   VAL  67           HB       VAL  67   4.454  -7.295  -4.700
  493   1HG1  VAL  67          1HG1      VAL  67   4.156  -8.057  -7.601
  494   2HG1  VAL  67          2HG1      VAL  67   3.672  -8.961  -6.166
  495   3HG1  VAL  67          3HG1      VAL  67   5.377  -8.839  -6.596
  496   1HG2  VAL  67          1HG2      VAL  67   6.017  -6.159  -7.039
  497   2HG2  VAL  67          2HG2      VAL  67   6.695  -7.114  -5.723
  498   3HG2  VAL  67          3HG2      VAL  67   6.019  -5.517  -5.397
  499    H    GLY  68           H        GLY  68   5.098  -4.500  -7.308
  500   2HA   GLY  68          1HA       GLY  68   4.213  -5.243 -10.053
  501   1HA   GLY  68          2HA       GLY  68   5.781  -4.558  -9.636
  502    H    HIS  69           H        HIS  69   3.171  -2.976  -8.041
  503    HA   HIS  69           HA       HIS  69   3.147  -0.890 -10.188
  504   2HB   HIS  69          1HB       HIS  69   0.951  -0.285  -9.093
  505   1HB   HIS  69          2HB       HIS  69   1.122  -1.698  -8.062
  506    HD1  HIS  69          1HD       HIS  69  -0.675  -0.836 -10.898
  507    HD2  HIS  69          2HD       HIS  69   1.910  -4.023 -10.142
  508    HE1  HIS  69          1HE       HIS  69  -1.239  -2.634 -12.590
  509    H    LYS  70           H        LYS  70   1.993  -0.408  -6.933
  510    HA   LYS  70           HA       LYS  70   4.252   0.766  -5.695
  511   2HB   LYS  70          1HB       LYS  70   4.376   2.493  -7.277
  512   1HB   LYS  70          2HB       LYS  70   3.365   3.222  -6.033
  513   1HG   LYS  70          1HG       LYS  70   1.969   1.651  -8.134
  514   2HG   LYS  70          2HG       LYS  70   2.665   3.188  -8.631
  515   2HD   LYS  70          1HD       LYS  70   1.479   3.979  -6.347
  516   1HD   LYS  70          2HD       LYS  70   0.416   2.631  -6.753
  517   1HE   LYS  70          1HE       LYS  70   1.046   4.345  -9.067
  518   2HE   LYS  70          2HE       LYS  70   0.168   5.188  -7.776
  519   1HZ   LYS  70          1HZ       LYS  70  -1.319   3.982  -9.321
  520   2HZ   LYS  70          2HZ       LYS  70  -1.439   3.404  -7.729
  521   3HZ   LYS  70          3HZ       LYS  70  -0.568   2.523  -8.892
  522    H    LEU  71           H        LEU  71   0.867   0.884  -6.244
  523    HA   LEU  71           HA       LEU  71   0.022   0.308  -3.581
  524   1HB   LEU  71          1HB       LEU  71   0.987   2.747  -3.548
  525   2HB   LEU  71          2HB       LEU  71  -0.523   2.414  -2.710
  526    HG   LEU  71           HG       LEU  71  -0.806   3.160  -5.565
  527   1HD1  LEU  71          1HD1      LEU  71  -2.184   3.617  -2.942
  528   2HD1  LEU  71          2HD1      LEU  71  -2.847   3.020  -4.463
  529   3HD1  LEU  71          3HD1      LEU  71  -2.497   4.737  -4.269
  530   1HD2  LEU  71          1HD2      LEU  71   1.081   4.621  -4.568
  531   2HD2  LEU  71          2HD2      LEU  71  -0.178   5.322  -3.549
  532   3HD2  LEU  71          3HD2      LEU  71  -0.285   5.461  -5.304
  533    H    GLY  72           H        GLY  72  -0.681   1.128  -6.894
  534   2HA   GLY  72          1HA       GLY  72  -2.650   1.097  -8.155
  535   1HA   GLY  72          2HA       GLY  72  -3.562   1.305  -6.661
  536    H    GLU  73           H        GLU  73  -1.330  -1.300  -6.609
  537    HA   GLU  73           HA       GLU  73  -3.127  -3.364  -7.678
  538   2HB   GLU  73          1HB       GLU  73  -1.242  -4.735  -6.386
  539   1HB   GLU  73          2HB       GLU  73  -0.435  -3.168  -6.356
  540   2HG   GLU  73          1HG       GLU  73   0.329  -3.787  -8.400
  541   1HG   GLU  73          2HG       GLU  73  -1.266  -3.281  -8.954
  542    H    PHE  74           H        PHE  74  -2.494  -1.753  -4.694
  543    HA   PHE  74           HA       PHE  74  -3.934  -3.788  -3.074
  544   1HB   PHE  74          1HB       PHE  74  -2.938  -2.675  -1.220
  545   2HB   PHE  74          2HB       PHE  74  -2.662  -1.207  -2.147
  546    HD1  PHE  74          1HD       PHE  74  -1.352  -4.483  -1.251
  547    HE1  PHE  74          1HE       PHE  74   0.953  -5.210  -1.748
  548    HZ   PHE  74           HZ       PHE  74   2.339  -3.941  -3.338
  549    HE2  PHE  74          2HE       PHE  74   1.428  -1.910  -4.423
  550    HD2  PHE  74          2HD       PHE  74  -0.863  -1.171  -3.930
  551    H    ALA  75           H        ALA  75  -4.276  -0.641  -4.558
  552    HA   ALA  75           HA       ALA  75  -6.993  -0.378  -3.317
  553   1HB   ALA  75          1HB       ALA  75  -5.518   1.134  -2.167
  554   2HB   ALA  75          2HB       ALA  75  -6.441   2.115  -3.306
  555   3HB   ALA  75          3HB       ALA  75  -4.778   1.657  -3.680
  556    HA   PRO  76           HA       PRO  76  -7.038   0.337  -7.913
  557   2HB   PRO  76          1HB       PRO  76  -6.165  -1.689  -8.614
  558   1HB   PRO  76          2HB       PRO  76  -7.875  -2.107  -8.828
  559   1HG   PRO  76          1HG       PRO  76  -6.081  -3.379  -7.129
  560   2HG   PRO  76          2HG       PRO  76  -7.844  -3.493  -7.045
  561   1HD   PRO  76          1HD       PRO  76  -6.061  -2.303  -5.161
  562   2HD   PRO  76          2HD       PRO  76  -7.834  -2.358  -5.093
  563    H    THR  77           H        THR  77  -8.936   0.846  -5.842
  564    HA   THR  77           HA       THR  77 -11.384   1.104  -7.332
  565    HB   THR  77           HB       THR  77 -11.388  -1.354  -6.924
  566    HG1  THR  77          1HG       THR  77 -13.454  -1.273  -6.576
  567   1HG2  THR  77          1HG2      THR  77 -11.330  -2.304  -4.773
  568   2HG2  THR  77          2HG2      THR  77 -11.704  -0.773  -3.985
  569   3HG2  THR  77          3HG2      THR  77 -10.108  -1.036  -4.687
  570    H    ARG  78           H        ARG  78  -9.727   2.811  -5.707
  571    HA   ARG  78           HA       ARG  78 -11.719   3.632  -3.636
  572   2HB   ARG  78          1HB       ARG  78  -8.980   4.020  -2.754
  573   1HB   ARG  78          2HB       ARG  78  -9.264   2.327  -3.157
  574   2HG   ARG  78          1HG       ARG  78 -11.280   2.341  -1.708
  575   1HG   ARG  78          2HG       ARG  78 -10.947   4.021  -1.283
  576   2HD   ARG  78          1HD       ARG  78  -9.790   3.070   0.466
  577   1HD   ARG  78          2HD       ARG  78  -8.520   2.837  -0.752
  578    HE   ARG  78           HE       ARG  78 -10.407   0.766   0.227
  579   1HH1  ARG  78          1HH1      ARG  78  -7.530   0.177   0.181
  580   2HH1  ARG  78          2HH1      ARG  78  -7.329  -0.720  -1.286
  581   1HH2  ARG  78          1HH2      ARG  78 -10.366   0.299  -2.636
  582   2HH2  ARG  78          2HH2      ARG  78  -8.940  -0.651  -2.886
  583    H    THR  79           H        THR  79  -8.503   4.620  -4.917
  584    HA   THR  79           HA       THR  79  -9.630   7.374  -5.335
  585    HB   THR  79           HB       THR  79  -6.824   6.536  -4.519
  586    HG1  THR  79          1HG       THR  79  -8.955   7.665  -3.022
  587   1HG2  THR  79          1HG2      THR  79  -6.654   9.003  -3.969
  588   2HG2  THR  79          2HG2      THR  79  -8.173   9.227  -4.836
  589   3HG2  THR  79          3HG2      THR  79  -6.751   8.633  -5.691
  590    H    TYR  80           H        TYR  80  -9.020   8.411  -7.273
  591    HA   TYR  80           HA       TYR  80  -7.992   6.649  -9.418
  592   2HB   TYR  80          1HB       TYR  80  -8.903   9.539  -9.532
  593   1HB   TYR  80          2HB       TYR  80 -10.028   8.181  -9.543
  594    HD1  TYR  80          1HD       TYR  80  -7.672  10.150 -11.484
  595    HE1  TYR  80          1HE       TYR  80  -7.312   9.873 -13.922
  596    HE2  TYR  80          2HE       TYR  80  -9.532   6.197 -13.833
  597    HD2  TYR  80          2HD       TYR  80  -9.893   6.473 -11.396
  598    HH   TYR  80           HH       TYR  80  -7.369   7.395 -15.519

  No H/Q in entry =         598
  Start of MODEL    6
    1    H    GLY   8           H        GLY   8   7.108  -0.401 -10.735
    2   2HA   GLY   8          1HA       GLY   8   5.462   1.681 -10.759
    3   1HA   GLY   8          2HA       GLY   8   5.047   1.015 -12.339
    4    H    VAL   9           H        VAL   9   7.010   3.229 -10.813
    5    HA   VAL   9           HA       VAL   9   8.895   3.286 -13.139
    6    HB   VAL   9           HB       VAL   9   7.810   5.411 -11.271
    7   1HG1  VAL   9          1HG1      VAL   9   9.034   6.967 -12.909
    8   2HG1  VAL   9          2HG1      VAL   9   9.942   5.541 -13.412
    9   3HG1  VAL   9          3HG1      VAL   9  10.039   6.105 -11.744
   10   1HG2  VAL   9          1HG2      VAL   9   7.458   4.842 -14.230
   11   2HG2  VAL   9          2HG2      VAL   9   6.876   6.302 -13.430
   12   3HG2  VAL   9          3HG2      VAL   9   6.221   4.728 -12.978
   13    H    PHE  10           H        PHE  10   8.782   4.027  -9.643
   14    HA   PHE  10           HA       PHE  10  11.613   3.084  -9.436
   15   2HB   PHE  10          1HB       PHE  10  10.403   5.728  -8.975
   16   1HB   PHE  10          2HB       PHE  10  12.084   5.305  -9.255
   17    HD1  PHE  10          1HD       PHE  10   9.463   5.733  -6.690
   18    HE1  PHE  10          1HE       PHE  10   9.937   6.071  -4.282
   19    HZ   PHE  10           HZ       PHE  10  12.252   5.788  -3.419
   20    HE2  PHE  10          2HE       PHE  10  14.081   5.171  -4.979
   21    HD2  PHE  10          2HD       PHE  10  13.607   4.830  -7.387
   22    H    VAL  11           H        VAL  11  11.961   1.772  -7.689
   23    HA   VAL  11           HA       VAL  11   9.711   1.372  -5.756
   24    HB   VAL  11           HB       VAL  11  12.088  -0.339  -6.582
   25   1HG1  VAL  11          1HG1      VAL  11   9.995  -1.686  -5.079
   26   2HG1  VAL  11          2HG1      VAL  11  10.695  -0.365  -4.143
   27   3HG1  VAL  11          3HG1      VAL  11  11.732  -1.642  -4.777
   28   1HG2  VAL  11          1HG2      VAL  11  10.609  -1.589  -7.868
   29   2HG2  VAL  11          2HG2      VAL  11   9.894   0.014  -8.047
   30   3HG2  VAL  11          3HG2      VAL  11   9.213  -1.132  -6.893
   31    H    ASP  12           H        ASP  12  10.078   2.553  -3.913
   32    HA   ASP  12           HA       ASP  12  12.318   3.938  -3.145
   33   2HB   ASP  12          1HB       ASP  12  10.878   2.566  -0.949
   34   1HB   ASP  12          2HB       ASP  12   9.871   3.441  -2.103
   35    H    ASP  13           H        ASP  13  14.368   3.116  -3.184
   36    HA   ASP  13           HA       ASP  13  15.105   0.453  -2.441
   37   2HB   ASP  13          1HB       ASP  13  16.940   2.836  -2.359
   38   1HB   ASP  13          2HB       ASP  13  16.249   2.324  -3.901
   39    H    HIS  14           H        HIS  14  14.562   3.419  -0.707
   40    HA   HIS  14           HA       HIS  14  16.083   2.873   1.655
   41   2HB   HIS  14          1HB       HIS  14  13.565   4.509   1.200
   42   1HB   HIS  14          2HB       HIS  14  15.208   5.084   0.926
   43    HD1  HIS  14          1HD       HIS  14  16.529   5.875   2.952
   44    HD2  HIS  14          2HD       HIS  14  12.960   3.999   4.013
   45    HE1  HIS  14          1HE       HIS  14  16.242   6.236   5.441
   46    H    LEU  15           H        LEU  15  12.789   2.048   0.637
   47    HA   LEU  15           HA       LEU  15  12.020   0.909   3.212
   48   1HB   LEU  15          1HB       LEU  15  10.731   1.840   0.997
   49   2HB   LEU  15          2HB       LEU  15   9.967   0.789   2.179
   50    HG   LEU  15           HG       LEU  15  11.463  -0.357  -0.170
   51   1HD1  LEU  15          1HD1      LEU  15  10.950  -2.127   1.207
   52   2HD1  LEU  15          2HD1      LEU  15   9.433  -2.031   0.316
   53   3HD1  LEU  15          3HD1      LEU  15   9.562  -1.303   1.917
   54   1HD2  LEU  15          1HD2      LEU  15   8.517  -0.149  -0.355
   55   2HD2  LEU  15          2HD2      LEU  15   9.738   0.003  -1.619
   56   3HD2  LEU  15          3HD2      LEU  15   9.392   1.368  -0.557
   57    H    LEU  16           H        LEU  16  13.288  -0.247   0.125
   58    HA   LEU  16           HA       LEU  16  13.176  -3.041   0.536
   59   2HB   LEU  16          1HB       LEU  16  15.434  -2.698  -0.929
   60   1HB   LEU  16          2HB       LEU  16  14.711  -1.095  -1.094
   61    HG   LEU  16           HG       LEU  16  12.993  -3.518  -1.435
   62   1HD1  LEU  16          1HD1      LEU  16  12.284  -1.039  -1.369
   63   2HD1  LEU  16          2HD1      LEU  16  11.633  -2.052  -2.656
   64   3HD1  LEU  16          3HD1      LEU  16  12.969  -0.947  -2.990
   65   1HD2  LEU  16          1HD2      LEU  16  13.608  -3.767  -3.738
   66   2HD2  LEU  16          2HD2      LEU  16  15.124  -3.750  -2.837
   67   3HD2  LEU  16          3HD2      LEU  16  14.596  -2.306  -3.699
   68    H    GLU  17           H        GLU  17  15.680  -0.658   1.379
   69    HA   GLU  17           HA       GLU  17  17.650  -2.388   2.451
   70   1HB   GLU  17          1HB       GLU  17  17.201   0.337   2.166
   71   2HB   GLU  17          2HB       GLU  17  18.623  -0.386   2.909
   72   2HG   GLU  17          1HG       GLU  17  17.584  -0.255   5.114
   73   1HG   GLU  17          2HG       GLU  17  16.094   0.363   4.404
   74    H    LYS  18           H        LYS  18  14.554  -1.419   3.785
   75    HA   LYS  18           HA       LYS  18  15.218  -2.535   6.460
   76   2HB   LYS  18          1HB       LYS  18  12.787  -1.646   6.813
   77   1HB   LYS  18          2HB       LYS  18  13.010  -0.887   5.238
   78   2HG   LYS  18          1HG       LYS  18  13.787   0.797   6.642
   79   1HG   LYS  18          2HG       LYS  18  15.287  -0.069   6.309
   80   2HD   LYS  18          1HD       LYS  18  14.519  -1.492   8.425
   81   1HD   LYS  18          2HD       LYS  18  13.633  -0.014   8.804
   82   2HE   LYS  18          1HE       LYS  18  15.692   0.436   9.828
   83   1HE   LYS  18          2HE       LYS  18  15.985   1.119   8.216
   84   1HZ   LYS  18          1HZ       LYS  18  16.910  -1.002   7.525
   85   2HZ   LYS  18          2HZ       LYS  18  16.590  -1.679   9.051
   86   3HZ   LYS  18          3HZ       LYS  18  17.742  -0.441   8.892
   87    H    VAL  19           H        VAL  19  13.177  -3.230   3.605
   88    HA   VAL  19           HA       VAL  19  11.649  -5.340   4.902
   89    HB   VAL  19           HB       VAL  19  11.129  -3.925   2.813
   90   1HG1  VAL  19          1HG1      VAL  19  11.857  -4.798   0.685
   91   2HG1  VAL  19          2HG1      VAL  19  12.674  -6.149   1.471
   92   3HG1  VAL  19          3HG1      VAL  19  13.291  -4.511   1.669
   93   1HG2  VAL  19          1HG2      VAL  19  10.218  -6.272   1.747
   94   2HG2  VAL  19          2HG2      VAL  19   9.464  -5.462   3.119
   95   3HG2  VAL  19          3HG2      VAL  19  10.610  -6.776   3.393
   96    H    LEU  20           H        LEU  20  14.578  -5.296   2.893
   97    HA   LEU  20           HA       LEU  20  14.816  -8.134   2.550
   98   1HB   LEU  20          1HB       LEU  20  16.050  -6.299   1.306
   99   2HB   LEU  20          2HB       LEU  20  17.081  -7.614   1.864
  100    HG   LEU  20           HG       LEU  20  16.712  -5.274   3.688
  101   1HD1  LEU  20          1HD1      LEU  20  18.159  -6.778   4.666
  102   2HD1  LEU  20          2HD1      LEU  20  19.332  -5.879   3.706
  103   3HD1  LEU  20          3HD1      LEU  20  18.707  -7.417   3.116
  104   1HD2  LEU  20          1HD2      LEU  20  18.600  -5.258   1.312
  105   2HD2  LEU  20          2HD2      LEU  20  18.428  -3.994   2.529
  106   3HD2  LEU  20          3HD2      LEU  20  17.111  -4.317   1.403
  107    H    GLU  21           H        GLU  21  15.447  -5.960   5.196
  108    HA   GLU  21           HA       GLU  21  17.146  -7.698   6.738
  109   2HB   GLU  21          1HB       GLU  21  15.571  -5.949   8.366
  110   1HB   GLU  21          2HB       GLU  21  15.956  -5.096   6.873
  111   1HG   GLU  21          1HG       GLU  21  18.260  -6.565   7.889
  112   2HG   GLU  21          2HG       GLU  21  17.644  -5.424   9.084
  113    H    LEU  22           H        LEU  22  13.639  -7.198   6.424
  114    HA   LEU  22           HA       LEU  22  12.887  -8.916   8.650
  115   2HB   LEU  22          1HB       LEU  22  10.716  -8.822   7.003
  116   1HB   LEU  22          2HB       LEU  22  11.630  -7.450   6.379
  117    HG   LEU  22           HG       LEU  22  10.065  -6.759   8.169
  118   1HD1  LEU  22          1HD1      LEU  22  11.311  -9.057   9.526
  119   2HD1  LEU  22          2HD1      LEU  22   9.733  -8.318   9.782
  120   3HD1  LEU  22          3HD1      LEU  22  11.165  -7.618  10.535
  121   1HD2  LEU  22          1HD2      LEU  22  11.705  -5.562   9.575
  122   2HD2  LEU  22          2HD2      LEU  22  12.189  -5.533   7.881
  123   3HD2  LEU  22          3HD2      LEU  22  12.983  -6.636   9.005
  124    H    ASN  23           H        ASN  23  13.668  -9.403   5.262
  125    HA   ASN  23           HA       ASN  23  12.604 -12.148   5.164
  126   2HB   ASN  23          1HB       ASN  23  13.892 -12.015   2.920
  127   1HB   ASN  23          2HB       ASN  23  14.200 -10.331   3.344
  128   1HD2  ASN  23          1HD2      ASN  23  12.479  -8.835   3.053
  129   2HD2  ASN  23          2HD2      ASN  23  10.929  -9.279   2.521
  130    H    ALA  24           H        ALA  24  15.515 -10.593   6.195
  131    HA   ALA  24           HA       ALA  24  17.280 -12.861   5.768
  132   1HB   ALA  24          1HB       ALA  24  18.882 -11.372   6.919
  133   2HB   ALA  24          2HB       ALA  24  17.555 -10.294   7.352
  134   3HB   ALA  24          3HB       ALA  24  18.011 -10.496   5.660
  135    H    LYS  25           H        LYS  25  15.472 -11.358   8.431
  136    HA   LYS  25           HA       LYS  25  16.501 -13.303  10.401
  137   1HB   LYS  25          1HB       LYS  25  15.176 -11.967  11.955
  138   2HB   LYS  25          2HB       LYS  25  14.321 -11.200  10.618
  139   2HG   LYS  25          1HG       LYS  25  16.743 -10.497   9.861
  140   1HG   LYS  25          2HG       LYS  25  17.141 -10.781  11.556
  141   2HD   LYS  25          1HD       LYS  25  15.715  -9.078  12.302
  142   1HD   LYS  25          2HD       LYS  25  14.734  -9.126  10.837
  143   2HE   LYS  25          1HE       LYS  25  15.965  -7.240  10.319
  144   1HE   LYS  25          2HE       LYS  25  17.159  -8.438   9.783
  145   1HZ   LYS  25          1HZ       LYS  25  18.079  -8.440  12.035
  146   2HZ   LYS  25          2HZ       LYS  25  16.946  -7.270  12.518
  147   3HZ   LYS  25          3HZ       LYS  25  18.136  -6.882  11.369
  148    H    GLY  26           H        GLY  26  13.809 -12.872   8.253
  149   2HA   GLY  26          1HA       GLY  26  12.649 -15.444   9.117
  150   1HA   GLY  26          2HA       GLY  26  12.182 -14.521   7.686
  151    H    GLU  27           H        GLU  27  12.185 -12.064   9.636
  152    HA   GLU  27           HA       GLU  27   9.761 -12.653  11.245
  153   2HB   GLU  27          1HB       GLU  27  10.243 -10.247  11.984
  154   1HB   GLU  27          2HB       GLU  27  11.681 -10.329  10.967
  155   2HG   GLU  27          1HG       GLU  27  12.387 -10.946  13.173
  156   1HG   GLU  27          2HG       GLU  27  12.307 -12.445  12.249
  157    H    LYS  28           H        LYS  28   7.775 -11.540  10.930
  158    HA   LYS  28           HA       LYS  28   7.442 -10.276   8.232
  159   2HB   LYS  28          1HB       LYS  28   4.961 -10.937   8.900
  160   1HB   LYS  28          2HB       LYS  28   5.778 -12.008  10.037
  161   2HG   LYS  28          1HG       LYS  28   7.153 -12.854   8.071
  162   1HG   LYS  28          2HG       LYS  28   6.055 -11.956   7.021
  163   2HD   LYS  28          1HD       LYS  28   4.192 -13.281   7.657
  164   1HD   LYS  28          2HD       LYS  28   5.029 -13.924   9.071
  165   2HE   LYS  28          1HE       LYS  28   6.703 -14.954   7.382
  166   1HE   LYS  28          2HE       LYS  28   5.470 -14.606   6.154
  167   1HZ   LYS  28          1HZ       LYS  28   5.056 -16.135   8.680
  168   2HZ   LYS  28          2HZ       LYS  28   5.140 -16.806   7.122
  169   3HZ   LYS  28          3HZ       LYS  28   3.849 -15.783   7.539
  170    H    ARG  29           H        ARG  29   7.854  -8.087   8.808
  171    HA   ARG  29           HA       ARG  29   5.932  -6.892  10.783
  172   2HB   ARG  29          1HB       ARG  29   8.517  -5.535  10.310
  173   1HB   ARG  29          2HB       ARG  29   8.655  -7.131  11.037
  174   2HG   ARG  29          1HG       ARG  29   6.837  -6.358  12.683
  175   1HG   ARG  29          2HG       ARG  29   7.152  -4.729  12.085
  176   2HD   ARG  29          1HD       ARG  29   9.691  -5.451  12.573
  177   1HD   ARG  29          2HD       ARG  29   8.887  -6.512  13.747
  178    HE   ARG  29           HE       ARG  29   8.730  -3.531  13.697
  179   1HH1  ARG  29          1HH1      ARG  29   6.122  -4.427  14.606
  180   2HH1  ARG  29          2HH1      ARG  29   6.340  -4.703  16.302
  181   1HH2  ARG  29          1HH2      ARG  29   9.809  -4.813  16.106
  182   2HH2  ARG  29          2HH2      ARG  29   8.434  -4.921  17.154
  183    H    LEU  30           H        LEU  30   6.805  -4.200  10.191
  184    HA   LEU  30           HA       LEU  30   5.759  -3.902   7.400
  185   1HB   LEU  30          1HB       LEU  30   4.544  -3.182   9.697
  186   2HB   LEU  30          2HB       LEU  30   4.337  -2.276   8.206
  187    HG   LEU  30           HG       LEU  30   6.715  -1.409   9.638
  188   1HD1  LEU  30          1HD1      LEU  30   5.715  -0.079   7.890
  189   2HD1  LEU  30          2HD1      LEU  30   5.505   0.794   9.409
  190   3HD1  LEU  30          3HD1      LEU  30   4.152  -0.093   8.708
  191   1HD2  LEU  30          1HD2      LEU  30   5.330  -2.166  11.585
  192   2HD2  LEU  30          2HD2      LEU  30   4.056  -1.070  11.053
  193   3HD2  LEU  30          3HD2      LEU  30   5.612  -0.425  11.572
  194    H    ILE  31           H        ILE  31   6.632  -2.111   6.170
  195    HA   ILE  31           HA       ILE  31   9.243  -1.010   7.143
  196    HB   ILE  31           HB       ILE  31   8.546  -2.157   4.414
  197   1HG2  ILE  31          1HG2      ILE  31  10.364  -1.077   3.623
  198   2HG2  ILE  31          2HG2      ILE  31  11.360  -1.785   4.895
  199   3HG2  ILE  31          3HG2      ILE  31  10.522  -0.258   5.179
  200   1HG1  ILE  31          1HG1      ILE  31   9.621  -3.299   6.877
  201   2HG1  ILE  31          2HG1      ILE  31  10.720  -3.525   5.517
  202   1HD1  ILE  31          1HD1      ILE  31   9.314  -5.398   5.357
  203   2HD1  ILE  31          2HD1      ILE  31   8.560  -4.266   4.237
  204   3HD1  ILE  31          3HD1      ILE  31   7.887  -4.488   5.850
  205    H    LYS  32           H        LYS  32   8.872   1.173   7.273
  206    HA   LYS  32           HA       LYS  32   7.075   2.459   5.259
  207   2HB   LYS  32          1HB       LYS  32   6.445   2.806   7.569
  208   1HB   LYS  32          2HB       LYS  32   7.087   4.328   6.960
  209   2HG   LYS  32          1HG       LYS  32   8.403   4.286   8.810
  210   1HG   LYS  32          2HG       LYS  32   9.357   3.098   7.923
  211   2HD   LYS  32          1HD       LYS  32   7.450   1.467   8.914
  212   1HD   LYS  32          2HD       LYS  32   7.443   2.705  10.171
  213   2HE   LYS  32          1HE       LYS  32   9.501   2.073  10.950
  214   1HE   LYS  32          2HE       LYS  32  10.146   1.838   9.313
  215   1HZ   LYS  32          1HZ       LYS  32   8.924  -0.215   9.139
  216   2HZ   LYS  32          2HZ       LYS  32   8.177   0.037  10.644
  217   3HZ   LYS  32          3HZ       LYS  32   9.846  -0.270  10.560
  218    H    THR  33           H        THR  33   7.778   4.278   4.077
  219    HA   THR  33           HA       THR  33  10.651   5.060   4.314
  220    HB   THR  33           HB       THR  33  10.301   3.198   2.660
  221    HG1  THR  33          1HG       THR  33  10.988   5.569   1.310
  222   1HG2  THR  33          1HG2      THR  33   9.119   3.663   0.583
  223   2HG2  THR  33          2HG2      THR  33   8.754   5.301   1.122
  224   3HG2  THR  33          3HG2      THR  33   8.025   3.920   1.941
  225    H    TRP  34           H        TRP  34  11.026   7.037   2.709
  226    HA   TRP  34           HA       TRP  34   8.563   8.726   2.498
  227   1HB   TRP  34          1HB       TRP  34   9.680  10.520   3.718
  228   2HB   TRP  34          2HB       TRP  34  11.160   9.570   3.825
  229    HD1  TRP  34           HD       TRP  34   7.771  10.012   5.405
  230    HE3  TRP  34          3HE       TRP  34  12.001   7.231   4.831
  231    HE1  TRP  34          1HE       TRP  34   7.604   8.519   7.502
  232    HZ3  TRP  34          3HZ       TRP  34  12.600   5.490   6.495
  233    HZ2  TRP  34          2HZ       TRP  34   9.077   6.416   8.767
  234    HH2  TRP  34           HH       TRP  34  11.143   5.078   8.457
  235    H    SER  35           H        SER  35   9.933   7.608   0.246
  236    HA   SER  35           HA       SER  35  11.777   9.702  -0.747
  237   2HB   SER  35          1HB       SER  35  10.703   7.243  -2.149
  238   1HB   SER  35          2HB       SER  35  12.106   7.231  -1.087
  239    HG   SER  35           HG       SER  35  13.181   7.804  -2.773
  240    H    ARG  36           H        ARG  36   9.266   8.163  -2.757
  241    HA   ARG  36           HA       ARG  36   7.709  10.641  -2.997
  242   2HB   ARG  36          1HB       ARG  36   9.239  11.499  -4.473
  243   1HB   ARG  36          2HB       ARG  36   8.391  10.460  -5.613
  244   2HG   ARG  36          1HG       ARG  36  10.113   8.640  -4.797
  245   1HG   ARG  36          2HG       ARG  36  11.061  10.043  -4.300
  246   2HD   ARG  36          1HD       ARG  36  11.302  10.812  -6.513
  247   1HD   ARG  36          2HD       ARG  36   9.890   9.901  -7.083
  248    HE   ARG  36           HE       ARG  36  11.912   8.131  -5.993
  249   1HH1  ARG  36          1HH1      ARG  36  13.976   8.514  -7.468
  250   2HH1  ARG  36          2HH1      ARG  36  13.615   8.235  -9.138
  251   1HH2  ARG  36          1HH2      ARG  36  10.174   8.424  -8.704
  252   2HH2  ARG  36          2HH2      ARG  36  11.458   8.184  -9.840
  253    H    ARG  37           H        ARG  37   8.210   8.452  -5.729
  254    HA   ARG  37           HA       ARG  37   5.379   7.575  -5.471
  255   2HB   ARG  37          1HB       ARG  37   6.021   8.564  -7.586
  256   1HB   ARG  37          2HB       ARG  37   5.783   6.840  -7.858
  257   2HG   ARG  37          1HG       ARG  37   8.430   6.895  -7.195
  258   1HG   ARG  37          2HG       ARG  37   8.260   8.454  -7.997
  259   1HD   ARG  37          1HD       ARG  37   6.918   6.210  -9.387
  260   2HD   ARG  37          2HD       ARG  37   8.687   6.102  -9.331
  261    HE   ARG  37           HE       ARG  37   8.785   8.052 -10.690
  262   1HH1  ARG  37          1HH1      ARG  37   7.489  10.202  -9.594
  263   2HH1  ARG  37          2HH1      ARG  37   5.950  10.335 -10.376
  264   1HH2  ARG  37          1HH2      ARG  37   5.994   7.082 -11.596
  265   2HH2  ARG  37          2HH2      ARG  37   5.102   8.563 -11.513
  266    H    SER  38           H        SER  38   6.827   6.386  -3.574
  267    HA   SER  38           HA       SER  38   8.345   4.122  -3.774
  268   2HB   SER  38          1HB       SER  38   6.421   3.343  -1.981
  269   1HB   SER  38          2HB       SER  38   6.114   5.077  -2.093
  270    HG   SER  38           HG       SER  38   7.983   5.508  -1.230
  271    H    THR  39           H        THR  39   8.164   2.026  -4.546
  272    HA   THR  39           HA       THR  39   5.490   1.102  -5.547
  273    HB   THR  39           HB       THR  39   8.232   0.935  -6.837
  274    HG1  THR  39          1HG       THR  39   7.454   2.685  -7.684
  275   1HG2  THR  39          1HG2      THR  39   7.380  -1.148  -7.426
  276   2HG2  THR  39          2HG2      THR  39   6.702  -0.146  -8.709
  277   3HG2  THR  39          3HG2      THR  39   5.704  -0.603  -7.328
  278    H    ILE  40           H        ILE  40   5.280  -1.264  -5.598
  279    HA   ILE  40           HA       ILE  40   6.477  -2.560  -3.255
  280    HB   ILE  40           HB       ILE  40   4.869  -3.870  -5.443
  281   1HG2  ILE  40          1HG2      ILE  40   4.657  -4.203  -2.454
  282   2HG2  ILE  40          2HG2      ILE  40   5.782  -5.143  -3.434
  283   3HG2  ILE  40          3HG2      ILE  40   4.048  -5.271  -3.716
  284   1HG1  ILE  40          1HG1      ILE  40   4.102  -1.543  -3.922
  285   2HG1  ILE  40          2HG1      ILE  40   3.103  -2.916  -3.449
  286   1HD1  ILE  40          1HD1      ILE  40   3.636  -2.135  -6.327
  287   2HD1  ILE  40          2HD1      ILE  40   2.214  -1.619  -5.422
  288   3HD1  ILE  40          3HD1      ILE  40   2.479  -3.331  -5.746
  289    H    VAL  41           H        VAL  41   7.637  -4.637  -3.340
  290    HA   VAL  41           HA       VAL  41   9.031  -5.254  -5.925
  291    HB   VAL  41           HB       VAL  41  10.923  -5.862  -4.036
  292   1HG1  VAL  41          1HG1      VAL  41  11.630  -4.730  -5.945
  293   2HG1  VAL  41          2HG1      VAL  41  11.857  -3.502  -4.702
  294   3HG1  VAL  41          3HG1      VAL  41  10.441  -3.442  -5.751
  295   1HG2  VAL  41          1HG2      VAL  41   9.776  -3.199  -3.148
  296   2HG2  VAL  41          2HG2      VAL  41  11.113  -4.091  -2.425
  297   3HG2  VAL  41          3HG2      VAL  41   9.468  -4.712  -2.295
  298    HA   PRO  42           HA       PRO  42   8.231  -9.429  -5.044
  299   2HB   PRO  42          1HB       PRO  42   9.648 -10.035  -6.759
  300   1HB   PRO  42          2HB       PRO  42  10.639 -10.670  -5.431
  301   1HG   PRO  42          1HG       PRO  42  11.614  -8.899  -7.147
  302   2HG   PRO  42          2HG       PRO  42  12.017  -8.817  -5.422
  303   2HD   PRO  42          1HD       PRO  42  10.115  -7.154  -7.018
  304   1HD   PRO  42          2HD       PRO  42  11.197  -6.680  -5.689
  305    H    GLU  43           H        GLU  43  11.027  -8.074  -3.376
  306    HA   GLU  43           HA       GLU  43  11.141 -10.117  -1.312
  307   1HB   GLU  43          1HB       GLU  43  13.034  -8.670  -2.077
  308   2HB   GLU  43          2HB       GLU  43  12.789  -8.614  -0.332
  309   2HG   GLU  43          1HG       GLU  43  11.923  -6.454  -0.390
  310   1HG   GLU  43          2HG       GLU  43  11.384  -6.601  -2.062
  311    H    MET  44           H        MET  44   8.806  -7.742  -1.888
  312    HA   MET  44           HA       MET  44   8.242  -7.484   1.036
  313   1HB   MET  44          1HB       MET  44   8.774  -5.503  -0.696
  314   2HB   MET  44          2HB       MET  44   7.726  -5.296   0.699
  315   2HG   MET  44          1HG       MET  44   5.809  -6.007  -0.896
  316   1HG   MET  44          2HG       MET  44   6.950  -5.652  -2.179
  317   1HE   MET  44          1HE       MET  44   8.713  -3.647  -0.881
  318   2HE   MET  44          2HE       MET  44   8.052  -2.015  -0.914
  319   3HE   MET  44          3HE       MET  44   8.115  -2.960  -2.396
  320    H    VAL  45           H        VAL  45   7.391  -9.529  -1.175
  321    HA   VAL  45           HA       VAL  45   4.556  -9.347  -1.559
  322    HB   VAL  45           HB       VAL  45   6.795 -11.318  -1.794
  323   1HG1  VAL  45          1HG1      VAL  45   3.866 -12.032  -1.967
  324   2HG1  VAL  45          2HG1      VAL  45   5.121 -12.810  -1.003
  325   3HG1  VAL  45          3HG1      VAL  45   5.131 -12.970  -2.760
  326   1HG2  VAL  45          1HG2      VAL  45   5.766 -11.335  -4.170
  327   2HG2  VAL  45          2HG2      VAL  45   6.589  -9.870  -3.632
  328   3HG2  VAL  45          3HG2      VAL  45   4.827  -9.949  -3.615
  329    H    GLY  46           H        GLY  46   5.997  -9.650   1.399
  330   2HA   GLY  46          1HA       GLY  46   5.194 -11.747   2.878
  331   1HA   GLY  46          2HA       GLY  46   3.641 -10.976   2.550
  332    H    HIS  47           H        HIS  47   4.676  -8.255   2.570
  333    HA   HIS  47           HA       HIS  47   5.106  -7.931   5.513
  334   1HB   HIS  47          1HB       HIS  47   6.904  -6.343   5.045
  335   2HB   HIS  47          2HB       HIS  47   6.619  -6.484   3.312
  336    HD1  HIS  47          1HD       HIS  47   8.306  -8.160   6.172
  337    HD2  HIS  47          2HD       HIS  47   7.469  -9.021   2.172
  338    HE1  HIS  47          1HE       HIS  47   9.746 -10.148   5.548
  339    H    THR  48           H        THR  48   4.495  -5.756   6.271
  340    HA   THR  48           HA       THR  48   2.385  -4.500   4.588
  341    HB   THR  48           HB       THR  48   2.747  -3.481   7.312
  342    HG1  THR  48          1HG       THR  48   3.237  -5.314   8.198
  343   1HG2  THR  48          1HG2      THR  48   0.455  -3.582   7.342
  344   2HG2  THR  48          2HG2      THR  48   0.407  -5.134   6.505
  345   3HG2  THR  48          3HG2      THR  48   0.703  -3.651   5.597
  346    H    ILE  49           H        ILE  49   4.049  -3.491   3.225
  347    HA   ILE  49           HA       ILE  49   6.018  -1.701   4.443
  348    HB   ILE  49           HB       ILE  49   5.180  -2.173   1.569
  349   1HG2  ILE  49          1HG2      ILE  49   6.467  -0.072   1.975
  350   2HG2  ILE  49          2HG2      ILE  49   7.361  -1.236   0.998
  351   3HG2  ILE  49          3HG2      ILE  49   7.753  -1.033   2.705
  352   2HG1  ILE  49          1HG1      ILE  49   6.096  -4.220   1.863
  353   1HG1  ILE  49          2HG1      ILE  49   6.575  -3.820   3.508
  354   1HD1  ILE  49          1HD1      ILE  49   8.143  -3.045   1.037
  355   2HD1  ILE  49          2HD1      ILE  49   8.508  -4.432   2.059
  356   3HD1  ILE  49          3HD1      ILE  49   8.636  -2.799   2.711
  357    H    ALA  50           H        ALA  50   5.432   0.288   5.171
  358    HA   ALA  50           HA       ALA  50   3.056   1.636   4.157
  359   1HB   ALA  50          1HB       ALA  50   5.248   2.353   6.107
  360   2HB   ALA  50          2HB       ALA  50   3.585   1.892   6.473
  361   3HB   ALA  50          3HB       ALA  50   3.922   3.458   5.725
  362    H    VAL  51           H        VAL  51   3.700   1.674   1.938
  363    HA   VAL  51           HA       VAL  51   6.065   2.975   0.965
  364    HB   VAL  51           HB       VAL  51   4.808   2.968  -1.180
  365   1HG1  VAL  51          1HG1      VAL  51   5.895   0.892  -0.128
  366   2HG1  VAL  51          2HG1      VAL  51   4.706   0.608  -1.399
  367   3HG1  VAL  51          3HG1      VAL  51   4.256   0.393   0.293
  368   1HG2  VAL  51          1HG2      VAL  51   2.587   3.567  -0.283
  369   2HG2  VAL  51          2HG2      VAL  51   2.495   2.002   0.526
  370   3HG2  VAL  51          3HG2      VAL  51   2.510   2.083  -1.234
  371    H    TYR  52           H        TYR  52   6.515   5.112   0.682
  372    HA   TYR  52           HA       TYR  52   4.720   7.147   1.714
  373   2HB   TYR  52          1HB       TYR  52   7.222   7.422   0.007
  374   1HB   TYR  52          2HB       TYR  52   7.256   7.149   1.747
  375    HD1  TYR  52          1HD       TYR  52   5.247   8.800   2.894
  376    HE1  TYR  52          1HE       TYR  52   4.994  11.229   3.305
  377    HE2  TYR  52          2HE       TYR  52   7.495  12.064  -0.085
  378    HD2  TYR  52          2HD       TYR  52   7.752   9.633  -0.493
  379    HH   TYR  52           HH       TYR  52   5.396  13.488   1.292
  380    H    ASN  53           H        ASN  53   2.836   7.412   0.509
  381    HA   ASN  53           HA       ASN  53   2.691   7.147  -2.371
  382   2HB   ASN  53          1HB       ASN  53   0.918   8.333  -0.216
  383   1HB   ASN  53          2HB       ASN  53   0.784   6.737  -0.952
  384   1HD2  ASN  53          1HD2      ASN  53  -0.100  10.093  -1.284
  385   2HD2  ASN  53          2HD2      ASN  53  -0.939   9.937  -2.752
  386    H    GLY  54           H        GLY  54   4.158   9.526  -0.554
  387   2HA   GLY  54          1HA       GLY  54   3.561  11.664  -2.558
  388   1HA   GLY  54          2HA       GLY  54   5.188  11.383  -1.925
  389    H    LYS  55           H        LYS  55   2.506  10.902   0.194
  390    HA   LYS  55           HA       LYS  55   3.281  13.309   1.767
  391   2HB   LYS  55          1HB       LYS  55   1.381  14.119   0.642
  392   1HB   LYS  55          2HB       LYS  55   0.701  13.490   2.141
  393   2HG   LYS  55          1HG       LYS  55   0.265  11.314   0.920
  394   1HG   LYS  55          2HG       LYS  55   0.710  12.145  -0.570
  395   2HD   LYS  55          1HD       LYS  55  -1.102  13.876   0.672
  396   1HD   LYS  55          2HD       LYS  55  -1.778  12.271   0.948
  397   2HE   LYS  55          1HE       LYS  55  -2.669  12.809  -1.165
  398   1HE   LYS  55          2HE       LYS  55  -1.196  11.933  -1.623
  399   1HZ   LYS  55          1HZ       LYS  55  -1.385  14.110  -2.738
  400   2HZ   LYS  55          2HZ       LYS  55  -0.016  14.029  -1.737
  401   3HZ   LYS  55          3HZ       LYS  55  -1.396  14.881  -1.228
  402    H    GLN  56           H        GLN  56   1.797  10.099   1.643
  403    HA   GLN  56           HA       GLN  56   2.153   9.861   4.605
  404   1HB   GLN  56          1HB       GLN  56  -0.194  10.078   3.095
  405   2HB   GLN  56          2HB       GLN  56  -0.071   9.623   4.790
  406   1HG   GLN  56          1HG       GLN  56   0.525   7.350   3.109
  407   2HG   GLN  56          2HG       GLN  56  -1.023   8.045   2.661
  408   1HE2  GLN  56          1HE2      GLN  56   0.803   7.062   5.626
  409   2HE2  GLN  56          2HE2      GLN  56  -0.569   6.542   6.473
  410    H    HIS  57           H        HIS  57   2.503   7.718   5.367
  411    HA   HIS  57           HA       HIS  57   3.710   5.865   3.365
  412   1HB   HIS  57          1HB       HIS  57   5.210   5.365   5.029
  413   2HB   HIS  57          2HB       HIS  57   3.969   5.309   6.263
  414    HD1  HIS  57          1HD       HIS  57   3.883   7.231   7.852
  415    HD2  HIS  57          2HD       HIS  57   5.984   8.193   4.385
  416    HE1  HIS  57          1HE       HIS  57   4.791   9.569   8.193
  417    H    VAL  58           H        VAL  58   1.922   4.606   2.656
  418    HA   VAL  58           HA       VAL  58  -0.055   3.670   4.659
  419    HB   VAL  58           HB       VAL  58  -1.124   2.720   2.555
  420   1HG1  VAL  58          1HG1      VAL  58  -1.585   5.004   3.562
  421   2HG1  VAL  58          2HG1      VAL  58  -1.950   4.850   1.842
  422   3HG1  VAL  58          3HG1      VAL  58  -0.474   5.666   2.362
  423   1HG2  VAL  58          1HG2      VAL  58   0.431   4.420   0.772
  424   2HG2  VAL  58          2HG2      VAL  58  -0.039   2.732   0.575
  425   3HG2  VAL  58          3HG2      VAL  58   1.419   3.143   1.476
  426    HA   PRO  59           HA       PRO  59   2.607   0.006   5.016
  427   2HB   PRO  59          1HB       PRO  59   2.576   0.304   7.321
  428   1HB   PRO  59          2HB       PRO  59   1.344  -0.973   7.247
  429   1HG   PRO  59          1HG       PRO  59   0.831   1.402   8.345
  430   2HG   PRO  59          2HG       PRO  59  -0.395   0.535   7.406
  431   2HD   PRO  59          1HD       PRO  59   1.248   2.909   6.663
  432   1HD   PRO  59          2HD       PRO  59  -0.422   2.504   6.215
  433    H    VAL  60           H        VAL  60   1.698  -0.811   3.096
  434    HA   VAL  60           HA       VAL  60  -0.913  -2.239   3.264
  435    HB   VAL  60           HB       VAL  60   0.993  -1.698   0.953
  436   1HG1  VAL  60          1HG1      VAL  60  -0.418  -3.630   0.516
  437   2HG1  VAL  60          2HG1      VAL  60  -1.008  -2.260  -0.430
  438   3HG1  VAL  60          3HG1      VAL  60  -1.852  -2.744   1.041
  439   1HG2  VAL  60          1HG2      VAL  60  -0.532   0.099   0.355
  440   2HG2  VAL  60          2HG2      VAL  60  -0.036   0.339   2.030
  441   3HG2  VAL  60          3HG2      VAL  60  -1.626  -0.334   1.669
  442    H    TYR  61           H        TYR  61  -0.835  -4.395   3.844
  443    HA   TYR  61           HA       TYR  61   1.642  -5.903   3.774
  444   2HB   TYR  61          1HB       TYR  61  -1.150  -7.054   3.907
  445   1HB   TYR  61          2HB       TYR  61  -0.420  -6.235   5.292
  446    HD1  TYR  61          1HD       TYR  61   0.645  -7.633   6.818
  447    HE1  TYR  61          1HE       TYR  61   1.953  -9.665   7.344
  448    HE2  TYR  61          2HE       TYR  61   1.952 -10.743   3.181
  449    HD2  TYR  61          2HD       TYR  61   0.663  -8.714   2.656
  450    HH   TYR  61           HH       TYR  61   2.145 -12.183   5.796
  451    H    ILE  62           H        ILE  62   2.458  -6.091   1.706
  452    HA   ILE  62           HA       ILE  62   0.747  -6.599  -0.597
  453    HB   ILE  62           HB       ILE  62   3.751  -6.690  -0.227
  454   1HG2  ILE  62          1HG2      ILE  62   2.347  -6.063  -2.804
  455   2HG2  ILE  62          2HG2      ILE  62   2.561  -7.746  -2.320
  456   3HG2  ILE  62          3HG2      ILE  62   3.967  -6.708  -2.546
  457   1HG1  ILE  62          1HG1      ILE  62   1.839  -4.488  -0.308
  458   2HG1  ILE  62          2HG1      ILE  62   3.049  -4.356  -1.586
  459   1HD1  ILE  62          1HD1      ILE  62   3.494  -4.537   1.400
  460   2HD1  ILE  62          2HD1      ILE  62   4.027  -3.273   0.294
  461   3HD1  ILE  62          3HD1      ILE  62   4.782  -4.865   0.248
  462    H    THR  63           H        THR  63   0.378  -8.531  -1.564
  463    HA   THR  63           HA       THR  63   1.424 -10.988  -0.246
  464    HB   THR  63           HB       THR  63  -0.452 -12.051  -1.455
  465    HG1  THR  63          1HG       THR  63  -1.703 -10.859  -2.840
  466   1HG2  THR  63          1HG2      THR  63  -2.260 -11.025  -0.285
  467   2HG2  THR  63          2HG2      THR  63  -1.456  -9.456  -0.281
  468   3HG2  THR  63          3HG2      THR  63  -0.828 -10.771   0.712
  469    H    GLU  64           H        GLU  64   1.219 -12.670  -2.559
  470    HA   GLU  64           HA       GLU  64   3.677 -11.847  -3.958
  471   1HB   GLU  64          1HB       GLU  64   3.731 -14.100  -4.694
  472   2HB   GLU  64          2HB       GLU  64   1.982 -14.270  -4.606
  473   1HG   GLU  64          1HG       GLU  64   3.026 -13.625  -1.989
  474   2HG   GLU  64          2HG       GLU  64   3.877 -15.020  -2.645
  475    H    ASN  65           H        ASN  65   0.519 -10.917  -4.468
  476    HA   ASN  65           HA       ASN  65   0.911 -10.892  -7.446
  477   2HB   ASN  65          1HB       ASN  65  -0.766 -12.531  -6.810
  478   1HB   ASN  65          2HB       ASN  65  -1.563 -11.173  -7.600
  479   1HD2  ASN  65          1HD2      ASN  65  -2.757  -9.631  -6.178
  480   2HD2  ASN  65          2HD2      ASN  65  -3.272 -10.124  -4.639
  481    H    MET  66           H        MET  66   0.321  -8.903  -4.655
  482    HA   MET  66           HA       MET  66  -1.033  -6.768  -6.188
  483   1HB   MET  66          1HB       MET  66  -0.978  -5.658  -3.991
  484   2HB   MET  66          2HB       MET  66   0.037  -6.955  -3.361
  485   2HG   MET  66          1HG       MET  66  -1.803  -8.570  -3.998
  486   1HG   MET  66          2HG       MET  66  -2.812  -7.175  -4.377
  487   1HE   MET  66          1HE       MET  66  -4.610  -6.657  -1.349
  488   2HE   MET  66          2HE       MET  66  -4.684  -8.045  -2.433
  489   3HE   MET  66          3HE       MET  66  -4.358  -6.441  -3.085
  490    H    VAL  67           H        VAL  67   2.173  -7.809  -5.808
  491    HA   VAL  67           HA       VAL  67   3.467  -5.183  -5.690
  492    HB   VAL  67           HB       VAL  67   4.448  -7.229  -4.722
  493   1HG1  VAL  67          1HG1      VAL  67   5.447  -8.834  -6.557
  494   2HG1  VAL  67          2HG1      VAL  67   4.146  -8.184  -7.557
  495   3HG1  VAL  67          3HG1      VAL  67   3.768  -9.027  -6.054
  496   1HG2  VAL  67          1HG2      VAL  67   5.954  -5.440  -5.544
  497   2HG2  VAL  67          2HG2      VAL  67   6.005  -6.219  -7.123
  498   3HG2  VAL  67          3HG2      VAL  67   6.692  -7.032  -5.718
  499    H    GLY  68           H        GLY  68   5.005  -4.500  -7.436
  500   2HA   GLY  68          1HA       GLY  68   4.162  -5.357 -10.165
  501   1HA   GLY  68          2HA       GLY  68   5.738  -4.677  -9.770
  502    H    HIS  69           H        HIS  69   3.023  -3.133  -8.256
  503    HA   HIS  69           HA       HIS  69   3.107  -0.992 -10.349
  504   2HB   HIS  69          1HB       HIS  69   0.798  -0.509  -9.474
  505   1HB   HIS  69          2HB       HIS  69   0.930  -1.917  -8.427
  506    HD1  HIS  69          1HD       HIS  69  -0.566  -1.094 -11.474
  507    HD2  HIS  69          2HD       HIS  69   1.947  -4.238 -10.368
  508    HE1  HIS  69          1HE       HIS  69  -0.902  -2.920 -13.195
  509    H    LYS  70           H        LYS  70   1.709  -0.759  -7.132
  510    HA   LYS  70           HA       LYS  70   3.803   0.526  -5.728
  511   2HB   LYS  70          1HB       LYS  70   3.825   2.298  -7.303
  512   1HB   LYS  70          2HB       LYS  70   2.836   2.921  -5.986
  513   1HG   LYS  70          1HG       LYS  70   1.428   1.390  -8.106
  514   2HG   LYS  70          2HG       LYS  70   2.034   2.981  -8.555
  515   1HD   LYS  70          1HD       LYS  70   0.735   3.010  -5.941
  516   2HD   LYS  70          2HD       LYS  70  -0.356   2.433  -7.201
  517   2HE   LYS  70          1HE       LYS  70  -0.625   4.806  -7.232
  518   1HE   LYS  70          2HE       LYS  70   0.501   4.494  -8.568
  519   1HZ   LYS  70          1HZ       LYS  70   2.338   5.010  -7.180
  520   2HZ   LYS  70          2HZ       LYS  70   1.383   5.020  -5.774
  521   3HZ   LYS  70          3HZ       LYS  70   1.215   6.254  -6.929
  522    H    LEU  71           H        LEU  71   0.446   0.409  -6.436
  523    HA   LEU  71           HA       LEU  71  -0.484  -0.362  -3.856
  524   1HB   LEU  71          1HB       LEU  71   0.328   2.182  -3.731
  525   2HB   LEU  71          2HB       LEU  71  -1.083   1.633  -2.837
  526    HG   LEU  71           HG       LEU  71  -1.519   2.584  -5.637
  527   1HD1  LEU  71          1HD1      LEU  71  -3.256   3.640  -3.584
  528   2HD1  LEU  71          2HD1      LEU  71  -3.084   1.896  -3.383
  529   3HD1  LEU  71          3HD1      LEU  71  -3.653   2.554  -4.916
  530   1HD2  LEU  71          1HD2      LEU  71   0.073   4.191  -4.314
  531   2HD2  LEU  71          2HD2      LEU  71  -1.376   4.583  -3.390
  532   3HD2  LEU  71          3HD2      LEU  71  -1.336   4.868  -5.130
  533    H    GLY  72           H        GLY  72  -1.095   0.720  -7.125
  534   2HA   GLY  72          1HA       GLY  72  -2.983   0.612  -8.499
  535   1HA   GLY  72          2HA       GLY  72  -3.977   0.707  -7.048
  536    H    GLU  73           H        GLU  73  -1.649  -1.812  -6.985
  537    HA   GLU  73           HA       GLU  73  -3.325  -3.878  -8.247
  538   2HB   GLU  73          1HB       GLU  73  -1.443  -5.277  -7.039
  539   1HB   GLU  73          2HB       GLU  73  -0.700  -3.700  -6.782
  540   2HG   GLU  73          1HG       GLU  73   0.173  -3.955  -8.845
  541   1HG   GLU  73          2HG       GLU  73  -1.448  -3.609  -9.446
  542    H    PHE  74           H        PHE  74  -2.966  -2.364  -5.190
  543    HA   PHE  74           HA       PHE  74  -4.280  -4.566  -3.689
  544   1HB   PHE  74          1HB       PHE  74  -3.589  -3.315  -1.752
  545   2HB   PHE  74          2HB       PHE  74  -3.330  -1.859  -2.706
  546    HD1  PHE  74          1HD       PHE  74  -1.815  -4.854  -1.396
  547    HE1  PHE  74          1HE       PHE  74   0.571  -5.429  -1.684
  548    HZ   PHE  74           HZ       PHE  74   1.935  -4.245  -3.371
  549    HE2  PHE  74          2HE       PHE  74   0.916  -2.489  -4.770
  550    HD2  PHE  74          2HD       PHE  74  -1.444  -1.903  -4.493
  551    H    ALA  75           H        ALA  75  -4.879  -1.514  -5.251
  552    HA   ALA  75           HA       ALA  75  -7.695  -1.536  -4.227
  553   1HB   ALA  75          1HB       ALA  75  -5.679   0.715  -4.453
  554   2HB   ALA  75          2HB       ALA  75  -6.535   0.172  -3.009
  555   3HB   ALA  75          3HB       ALA  75  -7.410   1.017  -4.286
  556    HA   PRO  76           HA       PRO  76  -7.290  -0.937  -8.862
  557   2HB   PRO  76          1HB       PRO  76  -6.109  -2.854  -9.393
  558   1HB   PRO  76          2HB       PRO  76  -7.722  -3.476  -9.781
  559   1HG   PRO  76          1HG       PRO  76  -6.021  -4.544  -7.901
  560   2HG   PRO  76          2HG       PRO  76  -7.773  -4.777  -7.931
  561   2HD   PRO  76          1HD       PRO  76  -6.173  -3.341  -6.016
  562   1HD   PRO  76          2HD       PRO  76  -7.918  -3.666  -5.977
  563    H    THR  77           H        THR  77  -9.446  -0.379  -7.230
  564    HA   THR  77           HA       THR  77 -11.807  -1.884  -8.221
  565    HB   THR  77           HB       THR  77 -11.609   0.475  -6.317
  566    HG1  THR  77          1HG       THR  77 -11.540  -2.317  -5.808
  567   1HG2  THR  77          1HG2      THR  77 -13.716  -1.661  -6.746
  568   2HG2  THR  77          2HG2      THR  77 -13.870   0.052  -7.136
  569   3HG2  THR  77          3HG2      THR  77 -13.749  -0.461  -5.453
  570    H    ARG  78           H        ARG  78 -11.593  -1.132 -10.481
  571    HA   ARG  78           HA       ARG  78 -12.060   0.319 -12.285
  572   2HB   ARG  78          1HB       ARG  78 -14.031   1.898 -11.627
  573   1HB   ARG  78          2HB       ARG  78 -13.960   1.081 -10.066
  574   2HG   ARG  78          1HG       ARG  78 -13.985  -1.107 -11.527
  575   1HG   ARG  78          2HG       ARG  78 -14.651  -0.044 -12.768
  576   1HD   ARG  78          1HD       ARG  78 -15.865   0.148 -10.044
  577   2HD   ARG  78          2HD       ARG  78 -16.234  -1.302 -10.995
  578    HE   ARG  78           HE       ARG  78 -16.977   0.253 -12.827
  579   1HH1  ARG  78          1HH1      ARG  78 -15.933   2.842 -12.078
  580   2HH1  ARG  78          2HH1      ARG  78 -17.241   3.601 -11.234
  581   1HH2  ARG  78          1HH2      ARG  78 -18.955   0.629 -10.675
  582   2HH2  ARG  78          2HH2      ARG  78 -18.956   2.345 -10.436
  583    H    THR  79           H        THR  79  -9.792   1.201 -11.847
  584    HA   THR  79           HA       THR  79  -8.266   2.949 -11.397
  585    HB   THR  79           HB       THR  79  -9.447   3.433 -13.553
  586    HG1  THR  79          1HG       THR  79  -7.994   4.924 -13.470
  587   1HG2  THR  79          1HG2      THR  79 -11.038   5.461 -13.421
  588   2HG2  THR  79          2HG2      THR  79 -11.215   5.050 -11.717
  589   3HG2  THR  79          3HG2      THR  79 -11.689   3.889 -12.957
  590    H    TYR  80           H        TYR  80  -9.681   2.416  -9.021
  591    HA   TYR  80           HA       TYR  80  -9.632   5.101  -7.753
  592   2HB   TYR  80          1HB       TYR  80 -11.929   3.585  -6.830
  593   1HB   TYR  80          2HB       TYR  80 -12.007   3.812  -8.576
  594    HD1  TYR  80          1HD       TYR  80 -11.949   5.496  -5.302
  595    HE1  TYR  80          1HE       TYR  80 -12.646   7.852  -4.964
  596    HE2  TYR  80          2HE       TYR  80 -12.847   8.403  -9.219
  597    HD2  TYR  80          2HD       TYR  80 -12.151   6.048  -9.557
  598    HH   TYR  80           HH       TYR  80 -12.390  10.132  -6.835

  No H/Q in entry =         598
  Start of MODEL    7
    1    H    GLY   8           H        GLY   8   8.362   6.980 -15.591
    2   2HA   GLY   8          1HA       GLY   8   9.648   8.648 -13.472
    3   1HA   GLY   8          2HA       GLY   8  10.460   7.349 -14.348
    4    H    VAL   9           H        VAL   9   9.651   5.118 -13.932
    5    HA   VAL   9           HA       VAL   9   8.007   4.712 -11.505
    6    HB   VAL   9           HB       VAL   9   9.355   2.840 -13.485
    7   1HG1  VAL   9          1HG1      VAL   9   7.481   2.312 -11.165
    8   2HG1  VAL   9          2HG1      VAL   9   9.087   1.632 -11.425
    9   3HG1  VAL   9          3HG1      VAL   9   7.747   1.152 -12.466
   10   1HG2  VAL   9          1HG2      VAL   9   6.947   2.481 -14.191
   11   2HG2  VAL   9          2HG2      VAL   9   7.577   4.092 -14.538
   12   3HG2  VAL   9          3HG2      VAL   9   6.511   3.841 -13.155
   13    H    PHE  10           H        PHE  10   8.919   4.469  -9.512
   14    HA   PHE  10           HA       PHE  10  11.749   3.502  -9.318
   15   2HB   PHE  10          1HB       PHE  10  10.456   6.036  -8.447
   16   1HB   PHE  10          2HB       PHE  10  12.125   5.740  -8.916
   17    HD1  PHE  10          1HD       PHE  10   9.700   5.656  -6.141
   18    HE1  PHE  10          1HE       PHE  10  10.350   5.604  -3.753
   19    HZ   PHE  10           HZ       PHE  10  12.725   5.241  -3.118
   20    HE2  PHE  10          2HE       PHE  10  14.442   4.937  -4.886
   21    HD2  PHE  10          2HD       PHE  10  13.788   4.993  -7.279
   22    H    VAL  11           H        VAL  11  12.183   2.291  -7.404
   23    HA   VAL  11           HA       VAL  11   9.758   1.428  -5.869
   24    HB   VAL  11           HB       VAL  11  12.384   0.067  -6.575
   25   1HG1  VAL  11          1HG1      VAL  11  10.137  -1.089  -4.897
   26   2HG1  VAL  11          2HG1      VAL  11  11.592  -0.385  -4.193
   27   3HG1  VAL  11          3HG1      VAL  11  11.711  -1.810  -5.224
   28   1HG2  VAL  11          1HG2      VAL  11  10.657   0.050  -8.333
   29   2HG2  VAL  11          2HG2      VAL  11   9.482  -0.592  -7.184
   30   3HG2  VAL  11          3HG2      VAL  11  10.870  -1.569  -7.665
   31    H    ASP  12           H        ASP  12   9.711   2.126  -3.841
   32    HA   ASP  12           HA       ASP  12  11.454   3.829  -2.575
   33   2HB   ASP  12          1HB       ASP  12   9.419   3.542  -1.520
   34   1HB   ASP  12          2HB       ASP  12  10.442   2.604  -0.447
   35    H    ASP  13           H        ASP  13  13.658   3.497  -2.427
   36    HA   ASP  13           HA       ASP  13  14.897   0.935  -2.041
   37   2HB   ASP  13          1HB       ASP  13  15.994   3.714  -1.513
   38   1HB   ASP  13          2HB       ASP  13  15.877   3.006  -3.125
   39    H    HIS  14           H        HIS  14  13.653   3.451   0.034
   40    HA   HIS  14           HA       HIS  14  14.973   2.696   2.468
   41   2HB   HIS  14          1HB       HIS  14  12.292   3.877   2.678
   42   1HB   HIS  14          2HB       HIS  14  13.323   4.719   1.517
   43    HD1  HIS  14          1HD       HIS  14  13.540   3.419   5.105
   44    HD2  HIS  14          2HD       HIS  14  15.069   6.485   2.731
   45    HE1  HIS  14          1HE       HIS  14  14.938   4.879   6.632
   46    H    LEU  15           H        LEU  15  12.416   1.252   0.658
   47    HA   LEU  15           HA       LEU  15  11.183  -0.117   2.948
   48   2HB   LEU  15          1HB       LEU  15  10.639   0.466   0.150
   49   1HB   LEU  15          2HB       LEU  15   9.511  -0.015   1.409
   50    HG   LEU  15           HG       LEU  15  11.197  -1.893  -0.285
   51   1HD1  LEU  15          1HD1      LEU  15   9.075  -3.182   1.142
   52   2HD1  LEU  15          2HD1      LEU  15  10.024  -2.254   2.301
   53   3HD1  LEU  15          3HD1      LEU  15  10.808  -3.463   1.285
   54   1HD2  LEU  15          1HD2      LEU  15   9.475  -1.701  -1.730
   55   2HD2  LEU  15          2HD2      LEU  15   8.558  -0.713  -0.595
   56   3HD2  LEU  15          3HD2      LEU  15   8.458  -2.472  -0.512
   57    H    LEU  16           H        LEU  16  13.391  -0.813   0.265
   58    HA   LEU  16           HA       LEU  16  13.698  -3.634   0.773
   59   2HB   LEU  16          1HB       LEU  16  15.806  -3.173  -0.634
   60   1HB   LEU  16          2HB       LEU  16  15.243  -1.500  -0.688
   61    HG   LEU  16           HG       LEU  16  12.979  -3.076  -1.208
   62   1HD1  LEU  16          1HD1      LEU  16  14.526  -1.952  -3.492
   63   2HD1  LEU  16          2HD1      LEU  16  14.123  -0.838  -2.186
   64   3HD1  LEU  16          3HD1      LEU  16  12.840  -1.696  -3.040
   65   1HD2  LEU  16          1HD2      LEU  16  14.482  -4.978  -1.619
   66   2HD2  LEU  16          2HD2      LEU  16  15.389  -4.022  -2.792
   67   3HD2  LEU  16          3HD2      LEU  16  13.711  -4.461  -3.119
   68    H    GLU  17           H        GLU  17  15.623  -0.763   1.729
   69    HA   GLU  17           HA       GLU  17  17.757  -2.077   3.032
   70   1HB   GLU  17          1HB       GLU  17  17.549   0.354   2.563
   71   2HB   GLU  17          2HB       GLU  17  18.014   0.037   4.235
   72   2HG   GLU  17          1HG       GLU  17  15.452   0.080   4.690
   73   1HG   GLU  17          2HG       GLU  17  15.359   0.913   3.143
   74    H    LYS  18           H        LYS  18  14.414  -1.921   3.998
   75    HA   LYS  18           HA       LYS  18  15.111  -2.948   6.726
   76   2HB   LYS  18          1HB       LYS  18  12.454  -2.279   6.768
   77   1HB   LYS  18          2HB       LYS  18  13.074  -1.146   5.567
   78   2HG   LYS  18          1HG       LYS  18  14.116   0.083   7.150
   79   1HG   LYS  18          2HG       LYS  18  14.850  -1.349   7.872
   80   2HD   LYS  18          1HD       LYS  18  13.454  -0.555   9.591
   81   1HD   LYS  18          2HD       LYS  18  12.461  -1.796   8.827
   82   2HE   LYS  18          1HE       LYS  18  11.452   0.065   7.394
   83   1HE   LYS  18          2HE       LYS  18  12.274   1.214   8.467
   84   1HZ   LYS  18          1HZ       LYS  18  11.204   0.128  10.358
   85   2HZ   LYS  18          2HZ       LYS  18  10.411  -0.955   9.315
   86   3HZ   LYS  18          3HZ       LYS  18  10.037   0.702   9.270
   87    H    VAL  19           H        VAL  19  13.137  -3.586   3.807
   88    HA   VAL  19           HA       VAL  19  11.747  -5.869   4.941
   89    HB   VAL  19           HB       VAL  19  11.234  -4.287   2.917
   90   1HG1  VAL  19          1HG1      VAL  19  12.525  -6.563   1.420
   91   2HG1  VAL  19          2HG1      VAL  19  13.387  -5.061   1.756
   92   3HG1  VAL  19          3HG1      VAL  19  11.923  -5.034   0.781
   93   1HG2  VAL  19          1HG2      VAL  19   9.475  -5.695   3.077
   94   2HG2  VAL  19          2HG2      VAL  19  10.516  -7.022   3.602
   95   3HG2  VAL  19          3HG2      VAL  19  10.289  -6.705   1.878
   96    H    LEU  20           H        LEU  20  14.663  -5.544   2.902
   97    HA   LEU  20           HA       LEU  20  15.086  -8.351   2.405
   98   1HB   LEU  20          1HB       LEU  20  17.363  -7.678   1.898
   99   2HB   LEU  20          2HB       LEU  20  17.219  -6.240   2.908
  100    HG   LEU  20           HG       LEU  20  15.354  -5.507   1.336
  101   1HD1  LEU  20          1HD1      LEU  20  18.132  -5.803   0.164
  102   2HD1  LEU  20          2HD1      LEU  20  17.663  -4.580   1.347
  103   3HD1  LEU  20          3HD1      LEU  20  16.943  -4.573  -0.263
  104   1HD2  LEU  20          1HD2      LEU  20  14.854  -7.564   0.204
  105   2HD2  LEU  20          2HD2      LEU  20  16.545  -7.806  -0.234
  106   3HD2  LEU  20          3HD2      LEU  20  15.614  -6.515  -0.993
  107    H    GLU  21           H        GLU  21  15.875  -6.126   4.971
  108    HA   GLU  21           HA       GLU  21  17.424  -7.828   6.647
  109   2HB   GLU  21          1HB       GLU  21  15.481  -5.759   7.652
  110   1HB   GLU  21          2HB       GLU  21  16.875  -5.269   6.690
  111   2HG   GLU  21          1HG       GLU  21  18.372  -5.798   8.352
  112   1HG   GLU  21          2HG       GLU  21  17.405  -7.152   8.935
  113    H    LEU  22           H        LEU  22  13.869  -7.315   6.407
  114    HA   LEU  22           HA       LEU  22  13.225  -9.079   8.629
  115   2HB   LEU  22          1HB       LEU  22  10.949  -8.957   7.337
  116   1HB   LEU  22          2HB       LEU  22  11.791  -7.778   6.330
  117    HG   LEU  22           HG       LEU  22  12.484  -6.985   8.877
  118   1HD1  LEU  22          1HD1      LEU  22   9.994  -6.012   7.478
  119   2HD1  LEU  22          2HD1      LEU  22  11.607  -5.721   6.823
  120   3HD1  LEU  22          3HD1      LEU  22  11.168  -5.076   8.406
  121   1HD2  LEU  22          1HD2      LEU  22  10.729  -8.741   9.600
  122   2HD2  LEU  22          2HD2      LEU  22   9.531  -7.600   8.984
  123   3HD2  LEU  22          3HD2      LEU  22  10.603  -7.127  10.304
  124    H    ASN  23           H        ASN  23  13.867  -9.551   5.210
  125    HA   ASN  23           HA       ASN  23  12.750 -12.265   5.109
  126   2HB   ASN  23          1HB       ASN  23  14.122 -12.135   2.881
  127   1HB   ASN  23          2HB       ASN  23  14.354 -10.442   3.315
  128   1HD2  ASN  23          1HD2      ASN  23  12.704  -9.049   2.640
  129   2HD2  ASN  23          2HD2      ASN  23  11.134  -9.537   2.219
  130    H    ALA  24           H        ALA  24  15.625 -10.848   6.315
  131    HA   ALA  24           HA       ALA  24  17.350 -13.149   5.819
  132   1HB   ALA  24          1HB       ALA  24  17.703 -10.604   7.414
  133   2HB   ALA  24          2HB       ALA  24  18.126 -10.794   5.712
  134   3HB   ALA  24          3HB       ALA  24  18.997 -11.707   6.945
  135    H    LYS  25           H        LYS  25  15.568 -11.619   8.485
  136    HA   LYS  25           HA       LYS  25  16.498 -13.755  10.342
  137   1HB   LYS  25          1HB       LYS  25  16.706 -11.291  10.861
  138   2HB   LYS  25          2HB       LYS  25  15.803 -12.204  12.068
  139   2HG   LYS  25          1HG       LYS  25  13.862 -11.101  11.613
  140   1HG   LYS  25          2HG       LYS  25  14.153 -11.111   9.875
  141   2HD   LYS  25          1HD       LYS  25  14.269  -8.820  10.522
  142   1HD   LYS  25          2HD       LYS  25  15.942  -9.333  10.314
  143   2HE   LYS  25          1HE       LYS  25  15.523  -9.954  12.958
  144   1HE   LYS  25          2HE       LYS  25  14.523  -8.500  12.771
  145   1HZ   LYS  25          1HZ       LYS  25  16.831  -7.922  13.260
  146   2HZ   LYS  25          2HZ       LYS  25  16.409  -7.409  11.697
  147   3HZ   LYS  25          3HZ       LYS  25  17.361  -8.801  11.909
  148    H    GLY  26           H        GLY  26  13.687 -12.533   8.638
  149   2HA   GLY  26          1HA       GLY  26  12.152 -14.908   9.521
  150   1HA   GLY  26          2HA       GLY  26  11.723 -13.832   8.190
  151    H    GLU  27           H        GLU  27  12.178 -11.409   9.876
  152    HA   GLU  27           HA       GLU  27  10.281 -11.604  12.110
  153   2HB   GLU  27          1HB       GLU  27  10.693  -8.950  11.716
  154   1HB   GLU  27          2HB       GLU  27  12.084  -9.603  10.852
  155   2HG   GLU  27          1HG       GLU  27  12.870  -9.366  13.066
  156   1HG   GLU  27          2HG       GLU  27  12.430 -11.072  12.968
  157    H    LYS  28           H        LYS  28   8.188 -10.647  12.174
  158    HA   LYS  28           HA       LYS  28   6.956 -10.129   9.493
  159   2HB   LYS  28          1HB       LYS  28   4.861 -10.738  10.935
  160   1HB   LYS  28          2HB       LYS  28   6.038 -11.344  12.097
  161   2HG   LYS  28          1HG       LYS  28   6.999 -12.458   9.812
  162   1HG   LYS  28          2HG       LYS  28   5.276 -12.413   9.435
  163   2HD   LYS  28          1HD       LYS  28   5.026 -14.268  10.694
  164   1HD   LYS  28          2HD       LYS  28   5.443 -13.299  12.107
  165   1HE   LYS  28          1HE       LYS  28   7.710 -14.274  10.412
  166   2HE   LYS  28          2HE       LYS  28   6.876 -15.466  11.427
  167   1HZ   LYS  28          1HZ       LYS  28   8.630 -14.375  12.680
  168   2HZ   LYS  28          2HZ       LYS  28   7.118 -13.920  13.307
  169   3HZ   LYS  28          3HZ       LYS  28   7.989 -12.847  12.317
  170    H    ARG  29           H        ARG  29   7.571  -7.831   9.595
  171    HA   ARG  29           HA       ARG  29   5.794  -6.255  11.424
  172   2HB   ARG  29          1HB       ARG  29   8.440  -5.108  10.770
  173   1HB   ARG  29          2HB       ARG  29   8.499  -6.566  11.752
  174   2HG   ARG  29          1HG       ARG  29   7.244  -5.592  13.493
  175   1HG   ARG  29          2HG       ARG  29   6.616  -4.318  12.447
  176   1HD   ARG  29          1HD       ARG  29   9.585  -4.527  12.971
  177   2HD   ARG  29          2HD       ARG  29   8.521  -3.695  14.122
  178    HE   ARG  29           HE       ARG  29   8.557  -2.985  11.203
  179   1HH1  ARG  29          1HH1      ARG  29   6.708  -1.826  13.443
  180   2HH1  ARG  29          2HH1      ARG  29   7.463  -0.285  13.680
  181   1HH2  ARG  29          1HH2      ARG  29  10.368  -1.150  11.982
  182   2HH2  ARG  29          2HH2      ARG  29   9.540   0.099  12.850
  183    H    LEU  30           H        LEU  30   6.647  -3.736  10.498
  184    HA   LEU  30           HA       LEU  30   5.824  -3.798   7.617
  185   1HB   LEU  30          1HB       LEU  30   4.290  -2.936   9.584
  186   2HB   LEU  30          2HB       LEU  30   4.367  -2.025   8.085
  187    HG   LEU  30           HG       LEU  30   6.491  -1.049   9.652
  188   1HD1  LEU  30          1HD1      LEU  30   4.815   0.942   9.839
  189   2HD1  LEU  30          2HD1      LEU  30   3.774  -0.059   8.827
  190   3HD1  LEU  30          3HD1      LEU  30   5.360   0.440   8.238
  191   1HD2  LEU  30          1HD2      LEU  30   3.924  -1.326  11.246
  192   2HD2  LEU  30          2HD2      LEU  30   5.316  -0.355  11.723
  193   3HD2  LEU  30          3HD2      LEU  30   5.458  -2.110  11.621
  194    H    ILE  31           H        ILE  31   6.753  -2.083   6.280
  195    HA   ILE  31           HA       ILE  31   9.290  -0.903   7.373
  196    HB   ILE  31           HB       ILE  31   8.661  -2.101   4.650
  197   1HG2  ILE  31          1HG2      ILE  31  11.070  -1.648   4.176
  198   2HG2  ILE  31          2HG2      ILE  31  11.171  -0.753   5.692
  199   3HG2  ILE  31          3HG2      ILE  31  10.133  -0.171   4.392
  200   1HG1  ILE  31          1HG1      ILE  31   9.662  -3.199   7.108
  201   2HG1  ILE  31          2HG1      ILE  31  10.961  -3.221   5.914
  202   1HD1  ILE  31          1HD1      ILE  31   9.189  -4.190   4.297
  203   2HD1  ILE  31          2HD1      ILE  31   8.228  -4.496   5.744
  204   3HD1  ILE  31          3HD1      ILE  31   9.808  -5.259   5.556
  205    H    LYS  32           H        LYS  32   9.218   1.317   7.296
  206    HA   LYS  32           HA       LYS  32   7.193   2.634   5.550
  207   2HB   LYS  32          1HB       LYS  32   7.750   4.591   7.019
  208   1HB   LYS  32          2HB       LYS  32   8.935   3.582   7.848
  209   1HG   LYS  32          1HG       LYS  32   6.243   2.382   7.610
  210   2HG   LYS  32          2HG       LYS  32   6.318   3.830   8.615
  211   2HD   LYS  32          1HD       LYS  32   8.572   2.403   9.389
  212   1HD   LYS  32          2HD       LYS  32   7.369   1.140   9.129
  213   2HE   LYS  32          1HE       LYS  32   5.780   2.429  10.592
  214   1HE   LYS  32          2HE       LYS  32   7.091   3.575  10.932
  215   1HZ   LYS  32          1HZ       LYS  32   6.949   1.739  12.570
  216   2HZ   LYS  32          2HZ       LYS  32   8.438   1.774  11.754
  217   3HZ   LYS  32          3HZ       LYS  32   7.259   0.626  11.327
  218    H    THR  33           H        THR  33   7.777   4.340   4.115
  219    HA   THR  33           HA       THR  33  10.699   4.717   3.559
  220    HB   THR  33           HB       THR  33   8.547   4.309   1.456
  221    HG1  THR  33          1HG       THR  33   8.757   2.267   1.807
  222   1HG2  THR  33          1HG2      THR  33  10.171   4.845  -0.003
  223   2HG2  THR  33          2HG2      THR  33  11.234   3.620   0.689
  224   3HG2  THR  33          3HG2      THR  33  11.217   5.249   1.355
  225    H    TRP  34           H        TRP  34  11.080   6.764   2.282
  226    HA   TRP  34           HA       TRP  34   8.826   8.729   2.404
  227   2HB   TRP  34          1HB       TRP  34  10.404  10.320   3.504
  228   1HB   TRP  34          2HB       TRP  34  11.612   9.039   3.574
  229    HD1  TRP  34           HD       TRP  34   8.328  10.158   5.115
  230    HE3  TRP  34          3HE       TRP  34  12.049   6.710   4.679
  231    HE1  TRP  34          1HE       TRP  34   7.878   8.758   7.235
  232    HZ3  TRP  34          3HZ       TRP  34  12.327   4.927   6.384
  233    HZ2  TRP  34          2HZ       TRP  34   8.966   6.467   8.571
  234    HH2  TRP  34           HH       TRP  34  10.790   4.800   8.324
  235    H    SER  35           H        SER  35  10.045   7.428   0.085
  236    HA   SER  35           HA       SER  35  11.913   9.352  -1.118
  237   2HB   SER  35          1HB       SER  35  11.610   7.759  -3.076
  238   1HB   SER  35          2HB       SER  35  10.475   6.861  -2.072
  239    HG   SER  35           HG       SER  35  13.224   7.064  -1.881
  240    H    ARG  36           H        ARG  36   9.447   8.181  -3.269
  241    HA   ARG  36           HA       ARG  36   7.814  10.642  -3.137
  242   2HB   ARG  36          1HB       ARG  36   8.660  10.439  -5.844
  243   1HB   ARG  36          2HB       ARG  36  10.116  10.313  -4.857
  244   2HG   ARG  36          1HG       ARG  36   9.850  12.639  -5.167
  245   1HG   ARG  36          2HG       ARG  36   9.164  12.353  -3.568
  246   2HD   ARG  36          1HD       ARG  36   6.912  12.022  -4.912
  247   1HD   ARG  36          2HD       ARG  36   7.756  12.964  -6.158
  248    HE   ARG  36           HE       ARG  36   7.973  14.787  -4.536
  249   1HH1  ARG  36          1HH1      ARG  36   8.110  13.438  -1.956
  250   2HH1  ARG  36          2HH1      ARG  36   6.521  13.645  -1.298
  251   1HH2  ARG  36          1HH2      ARG  36   5.075  14.457  -4.354
  252   2HH2  ARG  36          2HH2      ARG  36   4.798  14.224  -2.660
  253    H    ARG  37           H        ARG  37   8.569   8.233  -5.685
  254    HA   ARG  37           HA       ARG  37   5.664   7.499  -5.748
  255   2HB   ARG  37          1HB       ARG  37   6.571   8.411  -7.834
  256   1HB   ARG  37          2HB       ARG  37   6.238   6.695  -8.058
  257   2HG   ARG  37          1HG       ARG  37   8.368   6.512  -8.787
  258   1HG   ARG  37          2HG       ARG  37   8.856   6.738  -7.109
  259   2HD   ARG  37          1HD       ARG  37   9.432   8.963  -7.439
  260   1HD   ARG  37          2HD       ARG  37   8.247   9.181  -8.742
  261    HE   ARG  37           HE       ARG  37   9.850   7.490  -9.995
  262   1HH1  ARG  37          1HH1      ARG  37  10.981   9.587 -11.101
  263   2HH1  ARG  37          2HH1      ARG  37  12.459   9.961 -10.279
  264   1HH2  ARG  37          1HH2      ARG  37  11.668   8.100  -7.452
  265   2HH2  ARG  37          2HH2      ARG  37  12.848   9.118  -8.208
  266    H    SER  38           H        SER  38   7.004   6.423  -3.670
  267    HA   SER  38           HA       SER  38   8.520   4.116  -3.802
  268   2HB   SER  38          1HB       SER  38   7.132   3.551  -1.688
  269   1HB   SER  38          2HB       SER  38   6.241   5.029  -2.048
  270    HG   SER  38           HG       SER  38   8.287   5.059  -0.663
  271    H    THR  39           H        THR  39   8.182   2.411  -5.182
  272    HA   THR  39           HA       THR  39   5.406   1.356  -5.566
  273    HB   THR  39           HB       THR  39   8.011   1.067  -7.099
  274    HG1  THR  39          1HG       THR  39   7.198   2.854  -7.857
  275   1HG2  THR  39          1HG2      THR  39   5.413  -0.410  -7.287
  276   2HG2  THR  39          2HG2      THR  39   7.058  -0.995  -7.552
  277   3HG2  THR  39          3HG2      THR  39   6.263  -0.012  -8.781
  278    H    ILE  40           H        ILE  40   5.102  -0.988  -5.384
  279    HA   ILE  40           HA       ILE  40   6.638  -2.172  -3.186
  280    HB   ILE  40           HB       ILE  40   4.493  -3.269  -5.028
  281   1HG2  ILE  40          1HG2      ILE  40   4.100  -4.890  -3.198
  282   2HG2  ILE  40          2HG2      ILE  40   5.517  -4.265  -2.359
  283   3HG2  ILE  40          3HG2      ILE  40   5.696  -5.077  -3.913
  284   1HG1  ILE  40          1HG1      ILE  40   4.484  -1.529  -2.627
  285   2HG1  ILE  40          2HG1      ILE  40   3.311  -2.846  -2.611
  286   1HD1  ILE  40          1HD1      ILE  40   2.936  -1.979  -5.131
  287   2HD1  ILE  40          2HD1      ILE  40   3.481  -0.473  -4.393
  288   3HD1  ILE  40          3HD1      ILE  40   2.061  -1.299  -3.757
  289    H    VAL  41           H        VAL  41   7.490  -4.437  -3.389
  290    HA   VAL  41           HA       VAL  41   8.668  -5.117  -6.056
  291    HB   VAL  41           HB       VAL  41  10.571  -5.747  -4.022
  292   1HG1  VAL  41          1HG1      VAL  41  10.708  -4.987  -6.547
  293   2HG1  VAL  41          2HG1      VAL  41  12.034  -4.611  -5.447
  294   3HG1  VAL  41          3HG1      VAL  41  10.847  -3.372  -5.854
  295   1HG2  VAL  41          1HG2      VAL  41  11.090  -3.528  -3.089
  296   2HG2  VAL  41          2HG2      VAL  41   9.447  -3.979  -2.640
  297   3HG2  VAL  41          3HG2      VAL  41   9.717  -2.820  -3.938
  298    HA   PRO  42           HA       PRO  42   7.806  -9.255  -5.082
  299   2HB   PRO  42          1HB       PRO  42   9.179  -9.941  -6.786
  300   1HB   PRO  42          2HB       PRO  42  10.141 -10.619  -5.460
  301   1HG   PRO  42          1HG       PRO  42  11.190  -8.913  -7.201
  302   2HG   PRO  42          2HG       PRO  42  11.622  -8.854  -5.485
  303   2HD   PRO  42          1HD       PRO  42   9.835  -7.066  -7.061
  304   1HD   PRO  42          2HD       PRO  42  10.923  -6.686  -5.708
  305    H    GLU  43           H        GLU  43  10.730  -8.123  -3.420
  306    HA   GLU  43           HA       GLU  43  10.797 -10.127  -1.377
  307   2HB   GLU  43          1HB       GLU  43  12.020  -8.074  -0.215
  308   1HB   GLU  43          2HB       GLU  43  11.886  -7.378  -1.828
  309   1HG   GLU  43          1HG       GLU  43  12.787 -10.152  -1.902
  310   2HG   GLU  43          2HG       GLU  43  13.871  -9.127  -0.960
  311    H    MET  44           H        MET  44   8.541  -7.621  -1.941
  312    HA   MET  44           HA       MET  44   7.849  -7.140   0.885
  313   1HB   MET  44          1HB       MET  44   6.329  -5.536  -0.045
  314   2HB   MET  44          2HB       MET  44   6.380  -6.309  -1.624
  315   1HG   MET  44          1HG       MET  44   7.801  -4.139  -1.186
  316   2HG   MET  44          2HG       MET  44   8.491  -5.463  -2.119
  317   1HE   MET  44          1HE       MET  44  10.497  -5.835  -2.047
  318   2HE   MET  44          2HE       MET  44  11.652  -5.941  -0.722
  319   3HE   MET  44          3HE       MET  44  11.172  -4.363  -1.337
  320    H    VAL  45           H        VAL  45   7.218  -9.665  -1.202
  321    HA   VAL  45           HA       VAL  45   4.455 -10.146  -1.154
  322    HB   VAL  45           HB       VAL  45   6.037 -11.405  -2.479
  323   1HG1  VAL  45          1HG1      VAL  45   8.009 -11.428  -1.153
  324   2HG1  VAL  45          2HG1      VAL  45   7.513 -13.119  -1.253
  325   3HG1  VAL  45          3HG1      VAL  45   7.181 -12.189   0.208
  326   1HG2  VAL  45          1HG2      VAL  45   3.911 -12.535  -1.364
  327   2HG2  VAL  45          2HG2      VAL  45   5.131 -13.503  -0.537
  328   3HG2  VAL  45          3HG2      VAL  45   5.053 -13.500  -2.299
  329    H    GLY  46           H        GLY  46   6.294  -9.863   1.683
  330   2HA   GLY  46          1HA       GLY  46   5.767 -11.752   3.502
  331   1HA   GLY  46          2HA       GLY  46   4.133 -11.151   3.221
  332    H    HIS  47           H        HIS  47   4.968  -8.357   2.794
  333    HA   HIS  47           HA       HIS  47   5.511  -7.649   5.649
  334   1HB   HIS  47          1HB       HIS  47   7.228  -6.070   4.956
  335   2HB   HIS  47          2HB       HIS  47   6.905  -6.409   3.258
  336    HD1  HIS  47          1HD       HIS  47   8.683  -7.753   6.253
  337    HD2  HIS  47          2HD       HIS  47   7.855  -8.956   2.351
  338    HE1  HIS  47          1HE       HIS  47  10.181  -9.741   5.783
  339    H    THR  48           H        THR  48   4.673  -5.612   6.264
  340    HA   THR  48           HA       THR  48   2.618  -4.456   4.449
  341    HB   THR  48           HB       THR  48   2.807  -3.455   7.213
  342    HG1  THR  48          1HG       THR  48   3.216  -5.299   8.106
  343   1HG2  THR  48          1HG2      THR  48   0.536  -3.489   7.058
  344   2HG2  THR  48          2HG2      THR  48   0.510  -5.093   6.324
  345   3HG2  THR  48          3HG2      THR  48   0.864  -3.675   5.335
  346    H    ILE  49           H        ILE  49   4.377  -3.387   3.196
  347    HA   ILE  49           HA       ILE  49   6.118  -1.487   4.603
  348    HB   ILE  49           HB       ILE  49   5.675  -2.237   1.703
  349   1HG2  ILE  49          1HG2      ILE  49   7.605  -0.928   1.142
  350   2HG2  ILE  49          2HG2      ILE  49   7.963  -0.606   2.837
  351   3HG2  ILE  49          3HG2      ILE  49   6.554   0.132   2.077
  352   2HG1  ILE  49          1HG1      ILE  49   7.050  -3.446   3.891
  353   1HG1  ILE  49          2HG1      ILE  49   8.269  -2.826   2.783
  354   1HD1  ILE  49          1HD1      ILE  49   7.754  -5.032   2.024
  355   2HD1  ILE  49          2HD1      ILE  49   6.930  -3.939   0.912
  356   3HD1  ILE  49          3HD1      ILE  49   6.020  -4.755   2.183
  357    H    ALA  50           H        ALA  50   5.525   0.548   5.088
  358    HA   ALA  50           HA       ALA  50   3.137   1.742   3.927
  359   1HB   ALA  50          1HB       ALA  50   3.818   3.651   5.430
  360   2HB   ALA  50          2HB       ALA  50   5.254   2.712   5.856
  361   3HB   ALA  50          3HB       ALA  50   3.649   2.099   6.256
  362    H    VAL  51           H        VAL  51   3.825   1.703   1.723
  363    HA   VAL  51           HA       VAL  51   6.157   2.997   0.699
  364    HB   VAL  51           HB       VAL  51   4.906   2.905  -1.435
  365   1HG1  VAL  51          1HG1      VAL  51   4.086   0.390  -0.055
  366   2HG1  VAL  51          2HG1      VAL  51   5.799   0.810  -0.044
  367   3HG1  VAL  51          3HG1      VAL  51   4.950   0.607  -1.576
  368   1HG2  VAL  51          1HG2      VAL  51   2.547   1.940  -1.320
  369   2HG2  VAL  51          2HG2      VAL  51   2.708   3.616  -0.796
  370   3HG2  VAL  51          3HG2      VAL  51   2.567   2.327   0.399
  371    H    TYR  52           H        TYR  52   6.635   5.140   0.541
  372    HA   TYR  52           HA       TYR  52   4.781   7.184   1.434
  373   2HB   TYR  52          1HB       TYR  52   7.392   7.433  -0.105
  374   1HB   TYR  52          2HB       TYR  52   7.300   7.195   1.637
  375    HD1  TYR  52          1HD       TYR  52   8.058   9.626  -0.529
  376    HE1  TYR  52          1HE       TYR  52   7.789  12.067  -0.192
  377    HE2  TYR  52          2HE       TYR  52   4.862  11.321   2.860
  378    HD2  TYR  52          2HD       TYR  52   5.131   8.882   2.524
  379    HH   TYR  52           HH       TYR  52   6.803  13.492   2.202
  380    H    ASN  53           H        ASN  53   2.976   7.449   0.114
  381    HA   ASN  53           HA       ASN  53   3.014   7.188  -2.771
  382   2HB   ASN  53          1HB       ASN  53   1.104   8.415  -0.758
  383   1HB   ASN  53          2HB       ASN  53   1.028   6.790  -1.434
  384   1HD2  ASN  53          1HD2      ASN  53   0.208  10.145  -1.996
  385   2HD2  ASN  53          2HD2      ASN  53  -0.553   9.912  -3.496
  386    H    GLY  54           H        GLY  54   4.334   9.576  -0.836
  387   2HA   GLY  54          1HA       GLY  54   3.904  11.703  -2.894
  388   1HA   GLY  54          2HA       GLY  54   5.470  11.434  -2.117
  389    H    LYS  55           H        LYS  55   2.630  10.934  -0.227
  390    HA   LYS  55           HA       LYS  55   3.241  13.363   1.383
  391   2HB   LYS  55          1HB       LYS  55   1.430  14.152   0.119
  392   1HB   LYS  55          2HB       LYS  55   0.629  13.496   1.543
  393   2HG   LYS  55          1HG       LYS  55   0.418  11.302   0.222
  394   1HG   LYS  55          2HG       LYS  55   0.851  12.253  -1.199
  395   2HD   LYS  55          1HD       LYS  55  -1.045  13.791  -0.706
  396   1HD   LYS  55          2HD       LYS  55  -1.493  12.767   0.660
  397   2HE   LYS  55          1HE       LYS  55  -1.824  10.856  -0.895
  398   1HE   LYS  55          2HE       LYS  55  -1.397  11.906  -2.260
  399   1HZ   LYS  55          1HZ       LYS  55  -3.197  13.397  -1.609
  400   2HZ   LYS  55          2HZ       LYS  55  -3.598  12.383  -0.305
  401   3HZ   LYS  55          3HZ       LYS  55  -3.804  11.841  -1.901
  402    H    GLN  56           H        GLN  56   1.822  10.125   1.174
  403    HA   GLN  56           HA       GLN  56   1.919   9.943   4.159
  404   1HB   GLN  56          1HB       GLN  56  -0.285  10.085   2.449
  405   2HB   GLN  56          2HB       GLN  56  -0.304   9.642   4.152
  406   1HG   GLN  56          1HG       GLN  56   0.492   7.372   2.555
  407   2HG   GLN  56          2HG       GLN  56  -1.021   8.031   1.954
  408   1HE2  GLN  56          1HE2      GLN  56   0.528   7.157   5.106
  409   2HE2  GLN  56          2HE2      GLN  56  -0.905   6.596   5.816
  410    H    HIS  57           H        HIS  57   2.271   7.837   5.001
  411    HA   HIS  57           HA       HIS  57   3.685   5.964   3.153
  412   1HB   HIS  57          1HB       HIS  57   4.897   5.325   5.074
  413   2HB   HIS  57          2HB       HIS  57   3.617   5.819   6.169
  414    HD1  HIS  57          1HD       HIS  57   3.882   8.060   7.232
  415    HD2  HIS  57          2HD       HIS  57   6.197   7.714   3.786
  416    HE1  HIS  57          1HE       HIS  57   5.216  10.203   7.050
  417    H    VAL  58           H        VAL  58   2.043   4.594   2.348
  418    HA   VAL  58           HA       VAL  58  -0.101   3.658   4.184
  419    HB   VAL  58           HB       VAL  58   0.412   3.107   1.238
  420   1HG1  VAL  58          1HG1      VAL  58  -2.195   3.034   2.774
  421   2HG1  VAL  58          2HG1      VAL  58  -1.188   1.606   2.535
  422   3HG1  VAL  58          3HG1      VAL  58  -1.885   2.436   1.145
  423   1HG2  VAL  58          1HG2      VAL  58  -1.248   5.269   2.580
  424   2HG2  VAL  58          2HG2      VAL  58  -1.247   4.928   0.850
  425   3HG2  VAL  58          3HG2      VAL  58   0.217   5.526   1.632
  426    HA   PRO  59           HA       PRO  59   2.716   0.111   4.834
  427   2HB   PRO  59          1HB       PRO  59   2.520   0.448   7.126
  428   1HB   PRO  59          2HB       PRO  59   1.335  -0.868   6.998
  429   1HG   PRO  59          1HG       PRO  59   0.666   1.498   8.012
  430   2HG   PRO  59          2HG       PRO  59  -0.458   0.596   6.980
  431   2HD   PRO  59          1HD       PRO  59   1.226   2.981   6.335
  432   1HD   PRO  59          2HD       PRO  59  -0.420   2.581   5.798
  433    H    VAL  60           H        VAL  60   1.983  -0.778   2.882
  434    HA   VAL  60           HA       VAL  60  -0.592  -2.270   2.873
  435    HB   VAL  60           HB       VAL  60   1.482  -1.787   0.700
  436   1HG1  VAL  60          1HG1      VAL  60  -0.421  -2.372  -0.795
  437   2HG1  VAL  60          2HG1      VAL  60  -1.374  -2.796   0.629
  438   3HG1  VAL  60          3HG1      VAL  60   0.083  -3.714   0.234
  439   1HG2  VAL  60          1HG2      VAL  60  -0.593  -0.238  -0.008
  440   2HG2  VAL  60          2HG2      VAL  60   0.693   0.361   1.040
  441   3HG2  VAL  60          3HG2      VAL  60  -0.828  -0.192   1.740
  442    H    TYR  61           H        TYR  61  -0.533  -4.398   3.516
  443    HA   TYR  61           HA       TYR  61   1.965  -5.894   3.614
  444   2HB   TYR  61          1HB       TYR  61  -0.839  -7.030   3.704
  445   1HB   TYR  61          2HB       TYR  61  -0.130  -6.190   5.087
  446    HD1  TYR  61          1HD       TYR  61   0.950  -7.540   6.650
  447    HE1  TYR  61          1HE       TYR  61   2.247  -9.565   7.226
  448    HE2  TYR  61          2HE       TYR  61   2.206 -10.764   3.093
  449    HD2  TYR  61          2HD       TYR  61   0.925  -8.743   2.525
  450    HH   TYR  61           HH       TYR  61   2.409 -12.142   5.710
  451    H    ILE  62           H        ILE  62   2.855  -6.216   1.612
  452    HA   ILE  62           HA       ILE  62   1.199  -6.750  -0.738
  453    HB   ILE  62           HB       ILE  62   4.193  -6.745  -0.272
  454   1HG2  ILE  62          1HG2      ILE  62   2.755  -6.299  -2.890
  455   2HG2  ILE  62          2HG2      ILE  62   3.234  -7.914  -2.367
  456   3HG2  ILE  62          3HG2      ILE  62   4.458  -6.673  -2.624
  457   1HG1  ILE  62          1HG1      ILE  62   2.218  -4.628  -0.378
  458   2HG1  ILE  62          2HG1      ILE  62   3.352  -4.468  -1.715
  459   1HD1  ILE  62          1HD1      ILE  62   3.901  -3.429   0.669
  460   2HD1  ILE  62          2HD1      ILE  62   5.173  -4.160  -0.308
  461   3HD1  ILE  62          3HD1      ILE  62   4.441  -5.074   1.012
  462    H    THR  63           H        THR  63   1.058  -8.655  -1.845
  463    HA   THR  63           HA       THR  63   2.119 -11.124  -0.527
  464    HB   THR  63           HB       THR  63   0.174 -12.218  -1.539
  465    HG1  THR  63          1HG       THR  63  -0.666 -11.384  -3.251
  466   1HG2  THR  63          1HG2      THR  63  -1.549 -11.218  -0.271
  467   2HG2  THR  63          2HG2      THR  63  -0.878  -9.600  -0.477
  468   3HG2  THR  63          3HG2      THR  63  -0.072 -10.763   0.576
  469    H    GLU  64           H        GLU  64   1.709 -12.758  -2.899
  470    HA   GLU  64           HA       GLU  64   4.021 -11.805  -4.488
  471   2HB   GLU  64          1HB       GLU  64   2.467 -14.358  -4.907
  472   1HB   GLU  64          2HB       GLU  64   3.542 -14.183  -3.519
  473   1HG   GLU  64          1HG       GLU  64   4.523 -13.493  -6.279
  474   2HG   GLU  64          2HG       GLU  64   4.487 -15.177  -5.757
  475    H    ASN  65           H        ASN  65   0.966 -10.847  -4.682
  476    HA   ASN  65           HA       ASN  65   0.925 -10.906  -7.678
  477   2HB   ASN  65          1HB       ASN  65  -1.581 -11.169  -6.039
  478   1HB   ASN  65          2HB       ASN  65  -0.575 -12.585  -6.340
  479   1HD2  ASN  65          1HD2      ASN  65  -2.706 -10.209  -7.865
  480   2HD2  ASN  65          2HD2      ASN  65  -2.787 -10.984  -9.373
  481    H    MET  66           H        MET  66   0.493  -9.018  -4.779
  482    HA   MET  66           HA       MET  66  -1.130  -6.928  -6.087
  483   1HB   MET  66          1HB       MET  66  -1.015  -5.919  -3.874
  484   2HB   MET  66          2HB       MET  66   0.251  -7.046  -3.392
  485   2HG   MET  66          1HG       MET  66  -1.716  -7.995  -2.490
  486   1HG   MET  66          2HG       MET  66  -1.471  -8.899  -3.983
  487   1HE   MET  66          1HE       MET  66  -4.446  -8.546  -5.935
  488   2HE   MET  66          2HE       MET  66  -3.070  -9.466  -5.331
  489   3HE   MET  66          3HE       MET  66  -2.800  -8.087  -6.393
  490    H    VAL  67           H        VAL  67   2.241  -7.616  -5.408
  491    HA   VAL  67           HA       VAL  67   3.314  -4.956  -5.602
  492    HB   VAL  67           HB       VAL  67   4.575  -6.805  -4.659
  493   1HG1  VAL  67          1HG1      VAL  67   5.419  -8.527  -6.511
  494   2HG1  VAL  67          2HG1      VAL  67   3.901  -8.076  -7.288
  495   3HG1  VAL  67          3HG1      VAL  67   3.889  -8.780  -5.670
  496   1HG2  VAL  67          1HG2      VAL  67   5.908  -5.085  -5.797
  497   2HG2  VAL  67          2HG2      VAL  67   5.732  -5.938  -7.328
  498   3HG2  VAL  67          3HG2      VAL  67   6.656  -6.666  -6.017
  499    H    GLY  68           H        GLY  68   4.664  -4.148  -7.427
  500   2HA   GLY  68          1HA       GLY  68   3.676  -5.077 -10.090
  501   1HA   GLY  68          2HA       GLY  68   5.306  -4.471  -9.817
  502    H    HIS  69           H        HIS  69   2.867  -2.718  -8.090
  503    HA   HIS  69           HA       HIS  69   2.972  -0.611 -10.216
  504   2HB   HIS  69          1HB       HIS  69   0.629  -0.123  -9.463
  505   1HB   HIS  69          2HB       HIS  69   0.702  -1.535  -8.422
  506    HD1  HIS  69          1HD       HIS  69  -0.476  -0.621 -11.638
  507    HD2  HIS  69          2HD       HIS  69   1.635  -3.928 -10.208
  508    HE1  HIS  69          1HE       HIS  69  -0.788  -2.463 -13.347
  509    H    LYS  70           H        LYS  70   1.494  -0.507  -6.998
  510    HA   LYS  70           HA       LYS  70   3.529   0.867  -5.584
  511   2HB   LYS  70          1HB       LYS  70   3.458   2.667  -7.104
  512   1HB   LYS  70          2HB       LYS  70   2.415   3.210  -5.792
  513   1HG   LYS  70          1HG       LYS  70   1.105   1.630  -7.931
  514   2HG   LYS  70          2HG       LYS  70   1.657   3.237  -8.388
  515   2HD   LYS  70          1HD       LYS  70   0.487   3.832  -6.031
  516   1HD   LYS  70          2HD       LYS  70  -0.480   2.426  -6.478
  517   1HE   LYS  70          1HE       LYS  70  -0.060   4.272  -8.729
  518   2HE   LYS  70          2HE       LYS  70  -0.930   5.015  -7.372
  519   1HZ   LYS  70          1HZ       LYS  70  -2.418   3.121  -7.327
  520   2HZ   LYS  70          2HZ       LYS  70  -1.555   2.360  -8.577
  521   3HZ   LYS  70          3HZ       LYS  70  -2.420   3.790  -8.886
  522    H    LEU  71           H        LEU  71   0.173   0.479  -6.202
  523    HA   LEU  71           HA       LEU  71  -0.658  -0.350  -3.633
  524   1HB   LEU  71          1HB       LEU  71   0.083   2.167  -3.328
  525   2HB   LEU  71          2HB       LEU  71  -1.374   1.588  -2.533
  526    HG   LEU  71           HG       LEU  71  -1.769   2.614  -5.285
  527   1HD1  LEU  71          1HD1      LEU  71  -3.139   2.733  -2.606
  528   2HD1  LEU  71          2HD1      LEU  71  -3.743   2.082  -4.129
  529   3HD1  LEU  71          3HD1      LEU  71  -3.624   3.827  -3.901
  530   1HD2  LEU  71          1HD2      LEU  71  -0.024   4.141  -4.144
  531   2HD2  LEU  71          2HD2      LEU  71  -1.325   4.591  -3.042
  532   3HD2  LEU  71          3HD2      LEU  71  -1.482   4.914  -4.769
  533    H    GLY  72           H        GLY  72  -1.404   0.865  -6.818
  534   2HA   GLY  72          1HA       GLY  72  -3.327   0.762  -8.140
  535   1HA   GLY  72          2HA       GLY  72  -4.277   0.806  -6.656
  536    H    GLU  73           H        GLU  73  -1.895  -1.691  -6.833
  537    HA   GLU  73           HA       GLU  73  -3.702  -3.711  -8.015
  538   2HB   GLU  73          1HB       GLU  73  -1.677  -5.158  -7.190
  539   1HB   GLU  73          2HB       GLU  73  -0.910  -3.599  -6.886
  540   2HG   GLU  73          1HG       GLU  73  -0.428  -3.400  -9.063
  541   1HG   GLU  73          2HG       GLU  73  -2.138  -3.514  -9.472
  542    H    PHE  74           H        PHE  74  -2.889  -2.409  -4.933
  543    HA   PHE  74           HA       PHE  74  -3.967  -4.706  -3.401
  544   1HB   PHE  74          1HB       PHE  74  -3.132  -3.457  -1.495
  545   2HB   PHE  74          2HB       PHE  74  -2.982  -1.991  -2.457
  546    HD1  PHE  74          1HD       PHE  74  -1.343  -5.023  -1.377
  547    HE1  PHE  74          1HE       PHE  74   1.002  -5.587  -1.919
  548    HZ   PHE  74           HZ       PHE  74   2.196  -4.345  -3.693
  549    HE2  PHE  74          2HE       PHE  74   1.048  -2.543  -4.932
  550    HD2  PHE  74          2HD       PHE  74  -1.282  -1.964  -4.388
  551    H    ALA  75           H        ALA  75  -4.881  -1.616  -4.717
  552    HA   ALA  75           HA       ALA  75  -7.554  -1.831  -3.384
  553   1HB   ALA  75          1HB       ALA  75  -5.681   0.531  -3.700
  554   2HB   ALA  75          2HB       ALA  75  -6.331  -0.138  -2.202
  555   3HB   ALA  75          3HB       ALA  75  -7.391   0.731  -3.311
  556    HA   PRO  76           HA       PRO  76  -7.691  -0.971  -7.992
  557   2HB   PRO  76          1HB       PRO  76  -6.511  -2.810  -8.750
  558   1HB   PRO  76          2HB       PRO  76  -8.135  -3.476  -8.994
  559   1HG   PRO  76          1HG       PRO  76  -6.200  -4.567  -7.370
  560   2HG   PRO  76          2HG       PRO  76  -7.936  -4.869  -7.223
  561   2HD   PRO  76          1HD       PRO  76  -6.186  -3.465  -5.418
  562   1HD   PRO  76          2HD       PRO  76  -7.903  -3.862  -5.208
  563    H    THR  77           H        THR  77  -9.672  -0.565  -6.126
  564    HA   THR  77           HA       THR  77 -12.064  -2.155  -6.556
  565    HB   THR  77           HB       THR  77 -11.680   0.669  -5.494
  566    HG1  THR  77          1HG       THR  77 -10.681  -0.389  -3.987
  567   1HG2  THR  77          1HG2      THR  77 -13.785   0.102  -4.223
  568   2HG2  THR  77          2HG2      THR  77 -13.932  -1.339  -5.230
  569   3HG2  THR  77          3HG2      THR  77 -14.011   0.262  -5.965
  570    H    ARG  78           H        ARG  78 -13.451  -2.023  -8.273
  571    HA   ARG  78           HA       ARG  78 -13.006  -0.121 -10.436
  572   1HB   ARG  78          1HB       ARG  78 -13.759  -2.517 -10.643
  573   2HB   ARG  78          2HB       ARG  78 -14.790  -1.378 -11.506
  574   2HG   ARG  78          1HG       ARG  78 -16.569  -1.724 -10.105
  575   1HG   ARG  78          2HG       ARG  78 -15.544  -1.927  -8.684
  576   2HD   ARG  78          1HD       ARG  78 -14.837  -4.182  -9.715
  577   1HD   ARG  78          2HD       ARG  78 -16.214  -3.972 -10.816
  578    HE   ARG  78           HE       ARG  78 -17.689  -3.956  -8.850
  579   1HH1  ARG  78          1HH1      ARG  78 -16.563  -6.548  -8.337
  580   2HH1  ARG  78          2HH1      ARG  78 -15.869  -6.418  -6.755
  581   1HH2  ARG  78          1HH2      ARG  78 -15.843  -2.942  -6.764
  582   2HH2  ARG  78          2HH2      ARG  78 -15.460  -4.372  -5.862
  583    H    THR  79           H        THR  79 -14.403   1.583 -11.087
  584    HA   THR  79           HA       THR  79 -16.624   2.331  -9.227
  585    HB   THR  79           HB       THR  79 -14.373   4.138 -10.188
  586    HG1  THR  79          1HG       THR  79 -13.437   3.171  -8.564
  587   1HG2  THR  79          1HG2      THR  79 -16.789   4.600  -8.426
  588   2HG2  THR  79          2HG2      THR  79 -16.368   5.440  -9.920
  589   3HG2  THR  79          3HG2      THR  79 -15.405   5.695  -8.463
  590    H    TYR  80           H        TYR  80 -18.300   2.126 -10.703
  591    HA   TYR  80           HA       TYR  80 -19.638   2.550 -12.597
  592   2HB   TYR  80          1HB       TYR  80 -18.216   4.992 -13.357
  593   1HB   TYR  80          2HB       TYR  80 -18.515   4.911 -11.621
  594    HD1  TYR  80          1HD       TYR  80 -20.817   4.748 -10.742
  595    HE1  TYR  80          1HE       TYR  80 -23.193   5.345 -11.123
  596    HE2  TYR  80          2HE       TYR  80 -22.417   5.744 -15.329
  597    HD2  TYR  80          2HD       TYR  80 -20.041   5.147 -14.949
  598    HH   TYR  80           HH       TYR  80 -24.768   5.105 -13.626

  No H/Q in entry =         598
  Start of MODEL    8
    1    H    GLY   8           H        GLY   8   7.484   6.853 -15.056
    2   2HA   GLY   8          1HA       GLY   8   8.125   8.782 -12.869
    3   1HA   GLY   8          2HA       GLY   8   9.284   7.664 -13.589
    4    H    VAL   9           H        VAL   9   8.925   5.329 -13.159
    5    HA   VAL   9           HA       VAL   9   7.353   4.821 -10.652
    6    HB   VAL   9           HB       VAL   9   8.231   2.984 -12.911
    7   1HG1  VAL   9          1HG1      VAL   9   6.714   1.341 -11.792
    8   2HG1  VAL   9          2HG1      VAL   9   6.535   2.469 -10.447
    9   3HG1  VAL   9          3HG1      VAL   9   8.111   1.761 -10.801
   10   1HG2  VAL   9          1HG2      VAL   9   6.459   4.440 -13.662
   11   2HG2  VAL   9          2HG2      VAL   9   5.565   4.219 -12.159
   12   3HG2  VAL   9          3HG2      VAL   9   5.724   2.880 -13.294
   13    H    PHE  10           H        PHE  10   8.821   4.992  -8.980
   14    HA   PHE  10           HA       PHE  10  11.428   3.532  -9.257
   15   2HB   PHE  10          1HB       PHE  10  10.680   6.243  -8.469
   16   1HB   PHE  10          2HB       PHE  10  12.267   5.605  -8.869
   17    HD1  PHE  10          1HD       PHE  10  13.812   4.864  -7.145
   18    HE1  PHE  10          1HE       PHE  10  14.459   4.995  -4.756
   19    HZ   PHE  10           HZ       PHE  10  12.802   5.707  -3.053
   20    HE2  PHE  10          2HE       PHE  10  10.489   6.289  -3.749
   21    HD2  PHE  10          2HD       PHE  10   9.842   6.165  -6.136
   22    H    VAL  11           H        VAL  11  11.994   2.153  -7.535
   23    HA   VAL  11           HA       VAL  11   9.812   1.540  -5.594
   24    HB   VAL  11           HB       VAL  11  12.260   0.025  -6.570
   25   1HG1  VAL  11          1HG1      VAL  11  11.822  -1.674  -5.067
   26   2HG1  VAL  11          2HG1      VAL  11  10.107  -1.283  -4.964
   27   3HG1  VAL  11          3HG1      VAL  11  11.288  -0.304  -4.094
   28   1HG2  VAL  11          1HG2      VAL  11  10.727  -1.344  -7.777
   29   2HG2  VAL  11          2HG2      VAL  11  10.197   0.311  -8.082
   30   3HG2  VAL  11          3HG2      VAL  11   9.339  -0.689  -6.908
   31    H    ASP  12           H        ASP  12  10.118   2.665  -3.690
   32    HA   ASP  12           HA       ASP  12  12.348   3.985  -2.771
   33   2HB   ASP  12          1HB       ASP  12  10.448   2.364  -1.058
   34   1HB   ASP  12          2HB       ASP  12  10.048   3.924  -1.776
   35    H    ASP  13           H        ASP  13  14.399   3.140  -2.815
   36    HA   ASP  13           HA       ASP  13  15.070   0.409  -2.286
   37   2HB   ASP  13          1HB       ASP  13  16.909   2.786  -2.007
   38   1HB   ASP  13          2HB       ASP  13  16.300   2.299  -3.590
   39    H    HIS  14           H        HIS  14  14.572   3.239  -0.320
   40    HA   HIS  14           HA       HIS  14  16.016   2.457   2.022
   41   2HB   HIS  14          1HB       HIS  14  13.473   4.095   1.902
   42   1HB   HIS  14          2HB       HIS  14  15.002   4.720   1.289
   43    HD1  HIS  14          1HD       HIS  14  13.562   3.268   4.511
   44    HD2  HIS  14          2HD       HIS  14  16.624   5.807   3.262
   45    HE1  HIS  14          1HE       HIS  14  14.625   4.195   6.613
   46    H    LEU  15           H        LEU  15  12.908   1.520   0.703
   47    HA   LEU  15           HA       LEU  15  11.895   0.347   3.185
   48   1HB   LEU  15          1HB       LEU  15  10.863   1.273   0.786
   49   2HB   LEU  15          2HB       LEU  15   9.958   0.353   1.977
   50    HG   LEU  15           HG       LEU  15  11.568  -1.092  -0.115
   51   1HD1  LEU  15          1HD1      LEU  15  10.276  -2.063   1.985
   52   2HD1  LEU  15          2HD1      LEU  15  10.208  -2.895   0.433
   53   3HD1  LEU  15          3HD1      LEU  15   8.871  -1.865   0.939
   54   1HD2  LEU  15          1HD2      LEU  15  10.264   0.414  -1.454
   55   2HD2  LEU  15          2HD2      LEU  15   8.842   0.185  -0.436
   56   3HD2  LEU  15          3HD2      LEU  15   9.413  -1.130  -1.463
   57    H    LEU  16           H        LEU  16  13.486  -0.732   0.209
   58    HA   LEU  16           HA       LEU  16  13.365  -3.543   0.636
   59   2HB   LEU  16          1HB       LEU  16  15.639  -3.234  -0.761
   60   1HB   LEU  16          2HB       LEU  16  14.993  -1.599  -0.930
   61    HG   LEU  16           HG       LEU  16  13.237  -3.988  -1.377
   62   1HD1  LEU  16          1HD1      LEU  16  11.858  -2.198  -1.515
   63   2HD1  LEU  16          2HD1      LEU  16  12.529  -2.029  -3.139
   64   3HD1  LEU  16          3HD1      LEU  16  13.184  -1.075  -1.806
   65   1HD2  LEU  16          1HD2      LEU  16  15.233  -4.300  -2.812
   66   2HD2  LEU  16          2HD2      LEU  16  15.024  -2.667  -3.446
   67   3HD2  LEU  16          3HD2      LEU  16  13.811  -3.905  -3.777
   68    H    GLU  17           H        GLU  17  15.770  -1.088   1.598
   69    HA   GLU  17           HA       GLU  17  17.763  -2.729   2.721
   70   1HB   GLU  17          1HB       GLU  17  17.183  -0.038   2.530
   71   2HB   GLU  17          2HB       GLU  17  18.574  -0.706   3.379
   72   2HG   GLU  17          1HG       GLU  17  17.260  -0.773   5.471
   73   1HG   GLU  17          2HG       GLU  17  15.875  -0.091   4.621
   74    H    LYS  18           H        LYS  18  14.587  -1.897   4.019
   75    HA   LYS  18           HA       LYS  18  15.177  -3.169   6.631
   76   2HB   LYS  18          1HB       LYS  18  12.676  -2.472   6.900
   77   1HB   LYS  18          2HB       LYS  18  12.917  -1.620   5.376
   78   2HG   LYS  18          1HG       LYS  18  15.158  -0.985   6.973
   79   1HG   LYS  18          2HG       LYS  18  13.760  -0.861   8.040
   80   2HD   LYS  18          1HD       LYS  18  13.044   0.303   5.530
   81   1HD   LYS  18          2HD       LYS  18  14.610   0.964   5.998
   82   2HE   LYS  18          1HE       LYS  18  13.618   2.265   7.571
   83   1HE   LYS  18          2HE       LYS  18  12.857   0.844   8.310
   84   1HZ   LYS  18          1HZ       LYS  18  11.183   2.357   7.429
   85   2HZ   LYS  18          2HZ       LYS  18  11.179   0.907   6.545
   86   3HZ   LYS  18          3HZ       LYS  18  11.898   2.302   5.893
   87    H    VAL  19           H        VAL  19  13.477  -3.879   3.602
   88    HA   VAL  19           HA       VAL  19  11.926  -6.110   4.629
   89    HB   VAL  19           HB       VAL  19  12.806  -5.309   1.842
   90   1HG1  VAL  19          1HG1      VAL  19  12.026  -7.343   1.238
   91   2HG1  VAL  19          2HG1      VAL  19  10.426  -6.788   1.735
   92   3HG1  VAL  19          3HG1      VAL  19  11.449  -7.668   2.875
   93   1HG2  VAL  19          1HG2      VAL  19   9.996  -5.057   2.722
   94   2HG2  VAL  19          2HG2      VAL  19  10.993  -3.930   1.803
   95   3HG2  VAL  19          3HG2      VAL  19  11.127  -3.994   3.560
   96    H    LEU  20           H        LEU  20  15.077  -5.867   2.950
   97    HA   LEU  20           HA       LEU  20  15.541  -8.690   2.623
   98   1HB   LEU  20          1HB       LEU  20  17.843  -8.030   2.288
   99   2HB   LEU  20          2HB       LEU  20  17.628  -6.568   3.247
  100    HG   LEU  20           HG       LEU  20  15.857  -5.932   1.472
  101   1HD1  LEU  20          1HD1      LEU  20  18.126  -4.894   1.814
  102   2HD1  LEU  20          2HD1      LEU  20  17.543  -4.821   0.152
  103   3HD1  LEU  20          3HD1      LEU  20  18.756  -6.018   0.609
  104   1HD2  LEU  20          1HD2      LEU  20  17.390  -8.145   0.094
  105   2HD2  LEU  20          2HD2      LEU  20  16.524  -6.897  -0.803
  106   3HD2  LEU  20          3HD2      LEU  20  15.642  -7.986   0.267
  107    H    GLU  21           H        GLU  21  16.017  -6.363   5.177
  108    HA   GLU  21           HA       GLU  21  17.403  -8.025   7.051
  109   2HB   GLU  21          1HB       GLU  21  15.775  -6.150   8.412
  110   1HB   GLU  21          2HB       GLU  21  16.195  -5.411   6.867
  111   1HG   GLU  21          1HG       GLU  21  18.392  -6.797   8.319
  112   2HG   GLU  21          2HG       GLU  21  17.808  -5.293   9.031
  113    H    LEU  22           H        LEU  22  13.932  -7.504   6.381
  114    HA   LEU  22           HA       LEU  22  13.047  -9.115   8.668
  115   2HB   LEU  22          1HB       LEU  22  10.934  -8.947   6.918
  116   1HB   LEU  22          2HB       LEU  22  11.909  -7.569   6.412
  117    HG   LEU  22           HG       LEU  22  10.356  -6.826   8.124
  118   1HD1  LEU  22          1HD1      LEU  22  11.350  -9.278   9.547
  119   2HD1  LEU  22          2HD1      LEU  22   9.694  -8.717   9.318
  120   3HD1  LEU  22          3HD1      LEU  22  10.743  -7.913  10.484
  121   1HD2  LEU  22          1HD2      LEU  22  11.875  -5.704   9.485
  122   2HD2  LEU  22          2HD2      LEU  22  12.939  -6.232   8.183
  123   3HD2  LEU  22          3HD2      LEU  22  12.893  -7.128   9.700
  124    H    ASN  23           H        ASN  23  13.904  -9.688   5.317
  125    HA   ASN  23           HA       ASN  23  12.701 -12.371   5.205
  126   2HB   ASN  23          1HB       ASN  23  14.267 -12.300   3.066
  127   1HB   ASN  23          2HB       ASN  23  14.377 -10.584   3.460
  128   1HD2  ASN  23          1HD2      ASN  23  12.694  -9.301   2.665
  129   2HD2  ASN  23          2HD2      ASN  23  11.192  -9.887   2.137
  130    H    ALA  24           H        ALA  24  15.580 -10.998   6.484
  131    HA   ALA  24           HA       ALA  24  17.293 -13.313   6.110
  132   1HB   ALA  24          1HB       ALA  24  18.118 -10.982   6.207
  133   2HB   ALA  24          2HB       ALA  24  18.821 -11.952   7.502
  134   3HB   ALA  24          3HB       ALA  24  17.495 -10.844   7.851
  135    H    LYS  25           H        LYS  25  15.229 -11.921   8.624
  136    HA   LYS  25           HA       LYS  25  15.998 -14.023  10.566
  137   1HB   LYS  25          1HB       LYS  25  14.704 -12.662  12.110
  138   2HB   LYS  25          2HB       LYS  25  13.975 -11.773  10.775
  139   1HG   LYS  25          1HG       LYS  25  15.854 -10.553  11.958
  140   2HG   LYS  25          2HG       LYS  25  16.068 -10.728  10.219
  141   2HD   LYS  25          1HD       LYS  25  17.314 -12.965  10.954
  142   1HD   LYS  25          2HD       LYS  25  17.526 -12.074  12.461
  143   2HE   LYS  25          1HE       LYS  25  18.946 -10.527  11.489
  144   1HE   LYS  25          2HE       LYS  25  18.126 -10.616   9.918
  145   1HZ   LYS  25          1HZ       LYS  25  20.301 -11.728   9.882
  146   2HZ   LYS  25          2HZ       LYS  25  19.038 -12.831   9.609
  147   3HZ   LYS  25          3HZ       LYS  25  19.801 -12.765  11.126
  148    H    GLY  26           H        GLY  26  13.610 -13.388   8.171
  149   2HA   GLY  26          1HA       GLY  26  12.180 -15.866   8.843
  150   1HA   GLY  26          2HA       GLY  26  11.904 -14.859   7.420
  151    H    GLU  27           H        GLU  27  11.721 -12.393   9.105
  152    HA   GLU  27           HA       GLU  27   9.176 -12.920  10.582
  153   2HB   GLU  27          1HB       GLU  27   9.803 -10.493  11.381
  154   1HB   GLU  27          2HB       GLU  27  11.383 -10.881  10.699
  155   2HG   GLU  27          1HG       GLU  27  11.431 -12.948  12.100
  156   1HG   GLU  27          2HG       GLU  27   9.902 -12.456  12.830
  157    H    LYS  28           H        LYS  28   7.318 -11.652  10.119
  158    HA   LYS  28           HA       LYS  28   7.384 -10.186   7.506
  159   2HB   LYS  28          1HB       LYS  28   4.864 -10.804   7.674
  160   1HB   LYS  28          2HB       LYS  28   5.359 -11.881   8.974
  161   2HG   LYS  28          1HG       LYS  28   7.211 -12.451   7.014
  162   1HG   LYS  28          2HG       LYS  28   5.755 -12.139   6.067
  163   2HD   LYS  28          1HD       LYS  28   5.600 -14.439   6.559
  164   1HD   LYS  28          2HD       LYS  28   4.576 -13.694   7.787
  165   2HE   LYS  28          1HE       LYS  28   5.892 -15.100   9.120
  166   1HE   LYS  28          2HE       LYS  28   6.883 -13.630   9.149
  167   1HZ   LYS  28          1HZ       LYS  28   8.179 -15.593   8.492
  168   2HZ   LYS  28          2HZ       LYS  28   8.099 -14.460   7.230
  169   3HZ   LYS  28          3HZ       LYS  28   7.133 -15.858   7.184
  170    H    ARG  29           H        ARG  29   7.903  -8.115   8.479
  171    HA   ARG  29           HA       ARG  29   5.813  -7.003  10.326
  172   2HB   ARG  29          1HB       ARG  29   8.384  -5.589   9.965
  173   1HB   ARG  29          2HB       ARG  29   8.531  -7.214  10.626
  174   2HG   ARG  29          1HG       ARG  29   7.305  -6.695  12.537
  175   1HG   ARG  29          2HG       ARG  29   6.453  -5.367  11.751
  176   2HD   ARG  29          1HD       ARG  29   8.604  -4.075  11.706
  177   1HD   ARG  29          2HD       ARG  29   9.368  -5.391  12.620
  178    HE   ARG  29           HE       ARG  29   7.780  -4.918  14.456
  179   1HH1  ARG  29          1HH1      ARG  29   9.109  -2.332  14.313
  180   2HH1  ARG  29          2HH1      ARG  29   7.809  -1.209  14.094
  181   1HH2  ARG  29          1HH2      ARG  29   5.531  -3.635  13.093
  182   2HH2  ARG  29          2HH2      ARG  29   5.778  -1.948  13.401
  183    H    LEU  30           H        LEU  30   6.569  -4.290   9.921
  184    HA   LEU  30           HA       LEU  30   5.637  -3.854   7.108
  185   1HB   LEU  30          1HB       LEU  30   4.523  -3.181   9.611
  186   2HB   LEU  30          2HB       LEU  30   3.978  -2.621   8.036
  187    HG   LEU  30           HG       LEU  30   6.008  -0.886   8.406
  188   1HD1  LEU  30          1HD1      LEU  30   4.222   0.450   8.194
  189   2HD1  LEU  30          2HD1      LEU  30   3.858   0.204   9.903
  190   3HD1  LEU  30          3HD1      LEU  30   3.152  -0.864   8.688
  191   1HD2  LEU  30          1HD2      LEU  30   6.246  -2.144  10.735
  192   2HD2  LEU  30          2HD2      LEU  30   4.936  -1.056  11.198
  193   3HD2  LEU  30          3HD2      LEU  30   6.469  -0.396  10.628
  194    H    ILE  31           H        ILE  31   6.624  -2.161   5.928
  195    HA   ILE  31           HA       ILE  31   9.114  -0.995   7.134
  196    HB   ILE  31           HB       ILE  31   8.520  -1.905   4.296
  197   1HG2  ILE  31          1HG2      ILE  31  10.659  -1.173   3.681
  198   2HG2  ILE  31          2HG2      ILE  31  11.224  -1.116   5.351
  199   3HG2  ILE  31          3HG2      ILE  31  10.119   0.120   4.753
  200   1HG1  ILE  31          1HG1      ILE  31   9.613  -3.216   6.673
  201   2HG1  ILE  31          2HG1      ILE  31  10.725  -3.282   5.306
  202   1HD1  ILE  31          1HD1      ILE  31   9.306  -5.215   5.140
  203   2HD1  ILE  31          2HD1      ILE  31   8.763  -4.084   3.902
  204   3HD1  ILE  31          3HD1      ILE  31   7.856  -4.247   5.404
  205    H    LYS  32           H        LYS  32   8.860   1.181   7.364
  206    HA   LYS  32           HA       LYS  32   6.747   2.655   5.989
  207   1HB   LYS  32          1HB       LYS  32   7.604   4.511   7.358
  208   2HB   LYS  32          2HB       LYS  32   9.053   3.580   7.734
  209   1HG   LYS  32          1HG       LYS  32   7.356   3.508   9.566
  210   2HG   LYS  32          2HG       LYS  32   7.726   1.911   8.920
  211   2HD   LYS  32          1HD       LYS  32   5.310   2.139   9.181
  212   1HD   LYS  32          2HD       LYS  32   5.707   2.072   7.465
  213   2HE   LYS  32          1HE       LYS  32   5.151   4.304   7.121
  214   1HE   LYS  32          2HE       LYS  32   5.586   4.772   8.775
  215   1HZ   LYS  32          1HZ       LYS  32   3.140   4.666   8.345
  216   2HZ   LYS  32          2HZ       LYS  32   3.658   3.656   9.609
  217   3HZ   LYS  32          3HZ       LYS  32   3.295   2.997   8.085
  218    H    THR  33           H        THR  33   7.075   4.428   4.518
  219    HA   THR  33           HA       THR  33   9.784   4.686   3.266
  220    HB   THR  33           HB       THR  33   7.122   4.077   1.940
  221    HG1  THR  33          1HG       THR  33   7.937   2.163   2.124
  222   1HG2  THR  33          1HG2      THR  33   9.678   5.188   0.837
  223   2HG2  THR  33          2HG2      THR  33   8.014   5.596   0.422
  224   3HG2  THR  33          3HG2      THR  33   8.720   4.085  -0.149
  225    H    TRP  34           H        TRP  34  10.086   6.791   2.215
  226    HA   TRP  34           HA       TRP  34   7.876   8.780   2.543
  227   1HB   TRP  34          1HB       TRP  34   9.318  10.270   3.796
  228   2HB   TRP  34          2HB       TRP  34  10.696   9.197   3.572
  229    HD1  TRP  34           HD       TRP  34   7.442   9.524   5.526
  230    HE3  TRP  34          3HE       TRP  34  11.679   6.954   4.371
  231    HE1  TRP  34          1HE       TRP  34   7.504   7.872   7.509
  232    HZ3  TRP  34          3HZ       TRP  34  12.482   5.115   5.829
  233    HZ2  TRP  34          2HZ       TRP  34   9.153   5.734   8.472
  234    HH2  TRP  34           HH       TRP  34  11.223   4.500   7.875
  235    H    SER  35           H        SER  35   9.127   7.627   0.099
  236    HA   SER  35           HA       SER  35  10.891   9.764  -0.929
  237   2HB   SER  35          1HB       SER  35  10.438   8.172  -3.045
  238   1HB   SER  35          2HB       SER  35   9.921   7.070  -1.772
  239    HG   SER  35           HG       SER  35  11.911   6.795  -1.238
  240    H    ARG  36           H        ARG  36   8.486   8.416  -3.089
  241    HA   ARG  36           HA       ARG  36   6.511  10.516  -2.912
  242   2HB   ARG  36          1HB       ARG  36   8.211  10.820  -5.362
  243   1HB   ARG  36          2HB       ARG  36   8.826  11.491  -3.852
  244   1HG   ARG  36          1HG       ARG  36   6.020  12.052  -4.828
  245   2HG   ARG  36          2HG       ARG  36   7.391  13.049  -5.311
  246   2HD   ARG  36          1HD       ARG  36   7.781  13.784  -3.086
  247   1HD   ARG  36          2HD       ARG  36   6.820  12.462  -2.394
  248    HE   ARG  36           HE       ARG  36   4.852  13.598  -3.659
  249   1HH1  ARG  36          1HH1      ARG  36   6.038  15.897  -4.878
  250   2HH1  ARG  36          2HH1      ARG  36   5.948  17.136  -3.670
  251   1HH2  ARG  36          1HH2      ARG  36   5.422  14.912  -1.052
  252   2HH2  ARG  36          2HH2      ARG  36   5.599  16.576  -1.499
  253    H    ARG  37           H        ARG  37   8.173   8.804  -5.597
  254    HA   ARG  37           HA       ARG  37   5.529   7.699  -6.455
  255   1HB   ARG  37          1HB       ARG  37   6.911   9.021  -8.060
  256   2HB   ARG  37          2HB       ARG  37   6.681   7.362  -8.606
  257   2HG   ARG  37          1HG       ARG  37   8.903   6.973  -8.570
  258   1HG   ARG  37          2HG       ARG  37   9.037   7.573  -6.918
  259   2HD   ARG  37          1HD       ARG  37  10.353   9.132  -8.081
  260   1HD   ARG  37          2HD       ARG  37   8.773   9.941  -8.112
  261    HE   ARG  37           HE       ARG  37   8.458   9.030 -10.397
  262   1HH1  ARG  37          1HH1      ARG  37  10.874  10.666 -10.755
  263   2HH1  ARG  37          2HH1      ARG  37  12.002   9.560 -11.466
  264   1HH2  ARG  37          1HH2      ARG  37  10.212   6.730 -10.545
  265   2HH2  ARG  37          2HH2      ARG  37  11.626   7.326 -11.346
  266    H    SER  38           H        SER  38   6.923   6.636  -4.147
  267    HA   SER  38           HA       SER  38   8.577   4.434  -4.412
  268   2HB   SER  38          1HB       SER  38   7.074   3.635  -2.397
  269   1HB   SER  38          2HB       SER  38   6.283   5.198  -2.624
  270    HG   SER  38           HG       SER  38   7.965   6.179  -1.871
  271    H    THR  39           H        THR  39   8.315   2.264  -4.904
  272    HA   THR  39           HA       THR  39   5.641   1.328  -5.856
  273    HB   THR  39           HB       THR  39   8.344   1.043  -7.210
  274    HG1  THR  39          1HG       THR  39   7.649   2.836  -8.046
  275   1HG2  THR  39          1HG2      THR  39   6.676   0.035  -9.026
  276   2HG2  THR  39          2HG2      THR  39   5.727  -0.366  -7.594
  277   3HG2  THR  39          3HG2      THR  39   7.367  -0.989  -7.768
  278    H    ILE  40           H        ILE  40   5.458  -1.041  -5.826
  279    HA   ILE  40           HA       ILE  40   6.778  -2.205  -3.468
  280    HB   ILE  40           HB       ILE  40   4.960  -3.597  -5.433
  281   1HG2  ILE  40          1HG2      ILE  40   5.267  -3.703  -2.422
  282   2HG2  ILE  40          2HG2      ILE  40   5.889  -4.897  -3.566
  283   3HG2  ILE  40          3HG2      ILE  40   4.150  -4.679  -3.378
  284   1HG1  ILE  40          1HG1      ILE  40   4.404  -1.151  -3.981
  285   2HG1  ILE  40          2HG1      ILE  40   3.387  -2.461  -3.384
  286   1HD1  ILE  40          1HD1      ILE  40   3.749  -1.794  -6.319
  287   2HD1  ILE  40          2HD1      ILE  40   2.401  -1.222  -5.338
  288   3HD1  ILE  40          3HD1      ILE  40   2.609  -2.947  -5.630
  289    H    VAL  41           H        VAL  41   7.732  -4.423  -3.557
  290    HA   VAL  41           HA       VAL  41   9.050  -5.126  -6.159
  291    HB   VAL  41           HB       VAL  41  10.824  -5.797  -4.045
  292   1HG1  VAL  41          1HG1      VAL  41  11.203  -3.355  -5.764
  293   2HG1  VAL  41          2HG1      VAL  41  11.097  -4.939  -6.528
  294   3HG1  VAL  41          3HG1      VAL  41  12.363  -4.615  -5.343
  295   1HG2  VAL  41          1HG2      VAL  41   9.569  -4.053  -2.700
  296   2HG2  VAL  41          2HG2      VAL  41  10.034  -2.858  -3.906
  297   3HG2  VAL  41          3HG2      VAL  41  11.269  -3.672  -2.949
  298    HA   PRO  42           HA       PRO  42   8.083  -9.263  -5.269
  299   2HB   PRO  42          1HB       PRO  42   9.487  -9.926  -6.957
  300   1HB   PRO  42          2HB       PRO  42  10.418 -10.632  -5.623
  301   1HG   PRO  42          1HG       PRO  42  11.510  -8.902  -7.313
  302   2HG   PRO  42          2HG       PRO  42  11.911  -8.881  -5.588
  303   2HD   PRO  42          1HD       PRO  42  10.172  -7.044  -7.162
  304   1HD   PRO  42          2HD       PRO  42  11.231  -6.702  -5.776
  305    H    GLU  43           H        GLU  43  10.980  -8.178  -3.523
  306    HA   GLU  43           HA       GLU  43  10.973 -10.243  -1.522
  307   2HB   GLU  43          1HB       GLU  43  12.245  -8.230  -0.318
  308   1HB   GLU  43          2HB       GLU  43  12.175  -7.536  -1.937
  309   1HG   GLU  43          1HG       GLU  43  12.954 -10.310  -2.098
  310   2HG   GLU  43          2HG       GLU  43  14.006  -9.462  -0.964
  311    H    MET  44           H        MET  44   8.753  -7.738  -2.078
  312    HA   MET  44           HA       MET  44   8.124  -7.151   0.731
  313   1HB   MET  44          1HB       MET  44   6.498  -5.651  -0.275
  314   2HB   MET  44          2HB       MET  44   6.676  -6.452  -1.834
  315   1HG   MET  44          1HG       MET  44   7.985  -4.231  -1.400
  316   2HG   MET  44          2HG       MET  44   8.815  -5.570  -2.189
  317   1HE   MET  44          1HE       MET  44  11.435  -4.483  -1.240
  318   2HE   MET  44          2HE       MET  44  10.796  -5.998  -1.870
  319   3HE   MET  44          3HE       MET  44  11.806  -6.009  -0.427
  320    H    VAL  45           H        VAL  45   7.327  -9.685  -1.387
  321    HA   VAL  45           HA       VAL  45   4.612 -10.212  -1.105
  322    HB   VAL  45           HB       VAL  45   6.122 -11.443  -2.529
  323   1HG1  VAL  45          1HG1      VAL  45   8.169 -11.438  -1.310
  324   2HG1  VAL  45          2HG1      VAL  45   7.700 -13.135  -1.423
  325   3HG1  VAL  45          3HG1      VAL  45   7.432 -12.246   0.076
  326   1HG2  VAL  45          1HG2      VAL  45   4.091 -12.607  -1.234
  327   2HG2  VAL  45          2HG2      VAL  45   5.398 -13.593  -0.585
  328   3HG2  VAL  45          3HG2      VAL  45   5.133 -13.518  -2.325
  329    H    GLY  46           H        GLY  46   6.498  -9.820   1.672
  330   2HA   GLY  46          1HA       GLY  46   6.198 -11.737   3.502
  331   1HA   GLY  46          2HA       GLY  46   4.502 -11.335   3.243
  332    H    HIS  47           H        HIS  47   5.040  -8.448   2.817
  333    HA   HIS  47           HA       HIS  47   5.389  -7.700   5.680
  334   1HB   HIS  47          1HB       HIS  47   7.135  -6.146   5.217
  335   2HB   HIS  47          2HB       HIS  47   6.862  -6.239   3.481
  336    HD1  HIS  47          1HD       HIS  47   8.526  -8.043   6.315
  337    HD2  HIS  47          2HD       HIS  47   7.996  -8.521   2.210
  338    HE1  HIS  47          1HE       HIS  47  10.114  -9.882   5.597
  339    H    THR  48           H        THR  48   4.481  -5.636   6.191
  340    HA   THR  48           HA       THR  48   2.477  -4.618   4.235
  341    HB   THR  48           HB       THR  48   2.531  -3.554   6.995
  342    HG1  THR  48          1HG       THR  48   2.885  -5.410   7.895
  343   1HG2  THR  48          1HG2      THR  48   0.684  -3.516   5.158
  344   2HG2  THR  48          2HG2      THR  48   0.211  -3.780   6.835
  345   3HG2  THR  48          3HG2      THR  48   0.323  -5.146   5.726
  346    H    ILE  49           H        ILE  49   4.039  -3.417   2.976
  347    HA   ILE  49           HA       ILE  49   5.830  -1.528   4.351
  348    HB   ILE  49           HB       ILE  49   5.251  -2.194   1.455
  349   1HG2  ILE  49          1HG2      ILE  49   7.499  -0.485   2.567
  350   2HG2  ILE  49          2HG2      ILE  49   6.064   0.170   1.777
  351   3HG2  ILE  49          3HG2      ILE  49   7.183  -0.846   0.870
  352   2HG1  ILE  49          1HG1      ILE  49   6.484  -3.747   3.241
  353   1HG1  ILE  49          2HG1      ILE  49   7.842  -2.686   2.870
  354   1HD1  ILE  49          1HD1      ILE  49   7.022  -4.900   1.384
  355   2HD1  ILE  49          2HD1      ILE  49   8.149  -3.650   0.861
  356   3HD1  ILE  49          3HD1      ILE  49   6.439  -3.516   0.459
  357    H    ALA  50           H        ALA  50   5.227   0.484   4.924
  358    HA   ALA  50           HA       ALA  50   2.771   1.666   3.887
  359   1HB   ALA  50          1HB       ALA  50   3.386   1.948   6.210
  360   2HB   ALA  50          2HB       ALA  50   3.443   3.528   5.423
  361   3HB   ALA  50          3HB       ALA  50   4.939   2.647   5.748
  362    H    VAL  51           H        VAL  51   3.503   1.579   1.653
  363    HA   VAL  51           HA       VAL  51   5.774   2.986   0.643
  364    HB   VAL  51           HB       VAL  51   4.605   2.778  -1.511
  365   1HG1  VAL  51          1HG1      VAL  51   5.552   0.752  -0.183
  366   2HG1  VAL  51          2HG1      VAL  51   4.519   0.434  -1.577
  367   3HG1  VAL  51          3HG1      VAL  51   3.859   0.317   0.054
  368   1HG2  VAL  51          1HG2      VAL  51   2.208   2.232   0.259
  369   2HG2  VAL  51          2HG2      VAL  51   2.253   1.763  -1.439
  370   3HG2  VAL  51          3HG2      VAL  51   2.373   3.465  -0.993
  371    H    TYR  52           H        TYR  52   6.151   5.136   0.415
  372    HA   TYR  52           HA       TYR  52   4.169   7.101   1.250
  373   2HB   TYR  52          1HB       TYR  52   6.823   7.530  -0.161
  374   1HB   TYR  52          2HB       TYR  52   6.708   7.166   1.560
  375    HD1  TYR  52          1HD       TYR  52   6.908   9.774  -0.766
  376    HE1  TYR  52          1HE       TYR  52   6.482  12.165  -0.274
  377    HE2  TYR  52          2HE       TYR  52   4.448  11.054   3.343
  378    HD2  TYR  52          2HD       TYR  52   4.877   8.664   2.847
  379    HH   TYR  52           HH       TYR  52   5.947  13.434   2.341
  380    H    ASN  53           H        ASN  53   2.439   7.328  -0.178
  381    HA   ASN  53           HA       ASN  53   2.755   7.064  -3.058
  382   1HB   ASN  53          1HB       ASN  53   0.733   6.532  -1.575
  383   2HB   ASN  53          2HB       ASN  53   0.396   7.372  -3.085
  384   1HD2  ASN  53          1HD2      ASN  53  -0.726   9.342  -2.918
  385   2HD2  ASN  53          2HD2      ASN  53  -0.990  10.172  -1.463
  386    H    GLY  54           H        GLY  54   3.898   9.460  -1.200
  387   2HA   GLY  54          1HA       GLY  54   3.164  11.618  -3.133
  388   1HA   GLY  54          2HA       GLY  54   4.816  11.402  -2.546
  389    H    LYS  55           H        LYS  55   2.079  10.837  -0.465
  390    HA   LYS  55           HA       LYS  55   2.885  13.180   1.198
  391   2HB   LYS  55          1HB       LYS  55   1.051  14.135   0.145
  392   1HB   LYS  55          2HB       LYS  55   0.260  13.345   1.505
  393   2HG   LYS  55          1HG       LYS  55  -1.078  12.502  -0.146
  394   1HG   LYS  55          2HG       LYS  55   0.208  11.303  -0.249
  395   2HD   LYS  55          1HD       LYS  55   0.463  11.909  -2.411
  396   1HD   LYS  55          2HD       LYS  55   1.100  13.446  -1.829
  397   2HE   LYS  55          1HE       LYS  55  -0.680  14.179  -3.170
  398   1HE   LYS  55          2HE       LYS  55  -1.496  14.037  -1.601
  399   1HZ   LYS  55          1HZ       LYS  55  -2.634  12.851  -3.465
  400   2HZ   LYS  55          2HZ       LYS  55  -2.218  11.842  -2.164
  401   3HZ   LYS  55          3HZ       LYS  55  -1.289  11.827  -3.587
  402    H    GLN  56           H        GLN  56   1.485   9.950   0.997
  403    HA   GLN  56           HA       GLN  56   1.587   9.792   3.986
  404   1HB   GLN  56          1HB       GLN  56  -0.631   9.944   2.299
  405   2HB   GLN  56          2HB       GLN  56  -0.636   9.516   4.007
  406   1HG   GLN  56          1HG       GLN  56   0.111   7.228   2.402
  407   2HG   GLN  56          2HG       GLN  56  -1.415   7.895   1.845
  408   1HE2  GLN  56          1HE2      GLN  56   0.227   6.997   4.940
  409   2HE2  GLN  56          2HE2      GLN  56  -1.188   6.455   5.700
  410    H    HIS  57           H        HIS  57   1.959   7.721   4.854
  411    HA   HIS  57           HA       HIS  57   3.329   5.800   3.027
  412   1HB   HIS  57          1HB       HIS  57   4.685   5.361   4.824
  413   2HB   HIS  57          2HB       HIS  57   3.348   5.350   5.956
  414    HD1  HIS  57          1HD       HIS  57   2.942   7.433   7.327
  415    HD2  HIS  57          2HD       HIS  57   5.732   8.054   4.296
  416    HE1  HIS  57          1HE       HIS  57   3.932   9.728   7.725
  417    H    VAL  58           H        VAL  58   1.710   4.407   2.240
  418    HA   VAL  58           HA       VAL  58  -0.465   3.522   4.067
  419    HB   VAL  58           HB       VAL  58   0.065   2.908   1.137
  420   1HG1  VAL  58          1HG1      VAL  58  -2.179   2.181   1.035
  421   2HG1  VAL  58          2HG1      VAL  58  -2.597   2.967   2.557
  422   3HG1  VAL  58          3HG1      VAL  58  -1.599   1.514   2.560
  423   1HG2  VAL  58          1HG2      VAL  58  -1.550   5.137   2.423
  424   2HG2  VAL  58          2HG2      VAL  58  -1.577   4.746   0.705
  425   3HG2  VAL  58          3HG2      VAL  58  -0.092   5.334   1.452
  426    HA   PRO  59           HA       PRO  59   2.359  -0.004   4.783
  427   2HB   PRO  59          1HB       PRO  59   2.220   0.399   7.064
  428   1HB   PRO  59          2HB       PRO  59   1.025  -0.916   7.000
  429   1HG   PRO  59          1HG       PRO  59   0.399   1.496   7.955
  430   2HG   PRO  59          2HG       PRO  59  -0.758   0.552   7.001
  431   2HD   PRO  59          1HD       PRO  59   0.879   2.921   6.212
  432   1HD   PRO  59          2HD       PRO  59  -0.769   2.473   5.724
  433    H    VAL  60           H        VAL  60   1.649  -1.057   2.956
  434    HA   VAL  60           HA       VAL  60  -0.890  -2.628   3.141
  435    HB   VAL  60           HB       VAL  60  -0.525  -2.802   0.661
  436   1HG1  VAL  60          1HG1      VAL  60  -1.180  -0.468   0.201
  437   2HG1  VAL  60          2HG1      VAL  60  -0.632  -0.006   1.813
  438   3HG1  VAL  60          3HG1      VAL  60  -2.008  -1.093   1.628
  439   1HG2  VAL  60          1HG2      VAL  60   1.626  -0.729   1.127
  440   2HG2  VAL  60          2HG2      VAL  60   1.120  -1.403  -0.421
  441   3HG2  VAL  60          3HG2      VAL  60   1.952  -2.423   0.754
  442    H    TYR  61           H        TYR  61  -0.743  -4.828   3.375
  443    HA   TYR  61           HA       TYR  61   1.841  -6.173   3.426
  444   2HB   TYR  61          1HB       TYR  61  -0.778  -7.620   3.124
  445   1HB   TYR  61          2HB       TYR  61  -0.511  -6.673   4.590
  446    HD1  TYR  61          1HD       TYR  61   0.725  -7.597   6.365
  447    HE1  TYR  61          1HE       TYR  61   2.150  -9.412   7.270
  448    HE2  TYR  61          2HE       TYR  61   2.546 -11.067   3.323
  449    HD2  TYR  61          2HD       TYR  61   1.127  -9.249   2.422
  450    HH   TYR  61           HH       TYR  61   2.664 -12.092   6.126
  451    H    ILE  62           H        ILE  62   2.881  -6.228   1.468
  452    HA   ILE  62           HA       ILE  62   1.742  -6.095  -1.096
  453    HB   ILE  62           HB       ILE  62   4.330  -6.974   0.087
  454   1HG2  ILE  62          1HG2      ILE  62   3.415  -7.434  -2.732
  455   2HG2  ILE  62          2HG2      ILE  62   4.453  -8.439  -1.721
  456   3HG2  ILE  62          3HG2      ILE  62   5.090  -6.965  -2.446
  457   1HG1  ILE  62          1HG1      ILE  62   3.352  -4.735  -1.674
  458   2HG1  ILE  62          2HG1      ILE  62   5.068  -5.072  -1.458
  459   1HD1  ILE  62          1HD1      ILE  62   4.467  -5.014   1.098
  460   2HD1  ILE  62          2HD1      ILE  62   3.079  -4.081   0.535
  461   3HD1  ILE  62          3HD1      ILE  62   4.711  -3.511   0.206
  462    H    THR  63           H        THR  63   3.218  -9.080   0.204
  463    HA   THR  63           HA       THR  63   2.687 -11.346  -0.212
  464    HB   THR  63           HB       THR  63   0.091 -10.382  -1.435
  465    HG1  THR  63          1HG       THR  63   0.501 -10.719   1.340
  466   1HG2  THR  63          1HG2      THR  63   1.004 -12.799   0.128
  467   2HG2  THR  63          2HG2      THR  63   0.331 -12.744  -1.503
  468   3HG2  THR  63          3HG2      THR  63  -0.705 -12.430  -0.112
  469    H    GLU  64           H        GLU  64   2.207 -12.750  -2.310
  470    HA   GLU  64           HA       GLU  64   3.671 -11.453  -4.512
  471   2HB   GLU  64          1HB       GLU  64   2.441 -14.169  -4.764
  472   1HB   GLU  64          2HB       GLU  64   3.642 -13.953  -3.492
  473   1HG   GLU  64          1HG       GLU  64   4.148 -13.051  -6.334
  474   2HG   GLU  64          2HG       GLU  64   4.515 -14.691  -5.800
  475    H    ASN  65           H        ASN  65   1.464  -9.956  -4.380
  476    HA   ASN  65           HA       ASN  65  -0.041 -10.629  -6.811
  477   2HB   ASN  65          1HB       ASN  65  -1.540 -10.310  -4.210
  478   1HB   ASN  65          2HB       ASN  65  -1.025 -11.888  -4.805
  479   1HD2  ASN  65          1HD2      ASN  65  -3.253  -9.199  -5.377
  480   2HD2  ASN  65          2HD2      ASN  65  -4.166  -9.978  -6.577
  481    H    MET  66           H        MET  66   0.288  -8.398  -4.004
  482    HA   MET  66           HA       MET  66  -1.115  -6.247  -5.478
  483   1HB   MET  66          1HB       MET  66  -0.833  -5.064  -3.381
  484   2HB   MET  66          2HB       MET  66   0.339  -6.257  -2.822
  485   2HG   MET  66          1HG       MET  66  -1.316  -7.597  -2.078
  486   1HG   MET  66          2HG       MET  66  -2.102  -7.572  -3.655
  487   1HE   MET  66          1HE       MET  66  -2.008  -5.684  -0.027
  488   2HE   MET  66          2HE       MET  66  -2.487  -7.345  -0.368
  489   3HE   MET  66          3HE       MET  66  -3.710  -6.155   0.067
  490    H    VAL  67           H        VAL  67   2.151  -7.355  -5.122
  491    HA   VAL  67           HA       VAL  67   3.501  -4.811  -5.447
  492    HB   VAL  67           HB       VAL  67   4.563  -6.769  -4.446
  493   1HG1  VAL  67          1HG1      VAL  67   3.682  -8.684  -5.425
  494   2HG1  VAL  67          2HG1      VAL  67   5.227  -8.590  -6.270
  495   3HG1  VAL  67          3HG1      VAL  67   3.756  -8.009  -7.053
  496   1HG2  VAL  67          1HG2      VAL  67   6.093  -5.253  -5.529
  497   2HG2  VAL  67          2HG2      VAL  67   5.725  -5.926  -7.114
  498   3HG2  VAL  67          3HG2      VAL  67   6.612  -6.889  -5.934
  499    H    GLY  68           H        GLY  68   4.800  -4.209  -7.354
  500   2HA   GLY  68          1HA       GLY  68   3.720  -5.233  -9.944
  501   1HA   GLY  68          2HA       GLY  68   5.352  -4.607  -9.726
  502    H    HIS  69           H        HIS  69   2.825  -2.852  -8.117
  503    HA   HIS  69           HA       HIS  69   2.851  -0.849 -10.348
  504   2HB   HIS  69          1HB       HIS  69   0.645  -0.194  -9.344
  505   1HB   HIS  69          2HB       HIS  69   0.800  -1.519  -8.198
  506    HD1  HIS  69          1HD       HIS  69  -0.868  -0.853 -11.210
  507    HD2  HIS  69          2HD       HIS  69   1.510  -4.052  -9.970
  508    HE1  HIS  69          1HE       HIS  69  -1.441  -2.800 -12.723
  509    H    LYS  70           H        LYS  70   1.771  -0.381  -7.029
  510    HA   LYS  70           HA       LYS  70   4.049   0.890  -5.929
  511   2HB   LYS  70          1HB       LYS  70   3.969   2.602  -7.544
  512   1HB   LYS  70          2HB       LYS  70   3.080   3.303  -6.196
  513   1HG   LYS  70          1HG       LYS  70   1.478   1.692  -8.095
  514   2HG   LYS  70          2HG       LYS  70   2.117   3.203  -8.729
  515   2HD   LYS  70          1HD       LYS  70   1.196   4.051  -6.322
  516   1HD   LYS  70          2HD       LYS  70   0.062   2.736  -6.634
  517   2HE   LYS  70          1HE       LYS  70   0.146   3.993  -9.089
  518   1HE   LYS  70          2HE       LYS  70   0.306   5.361  -7.970
  519   1HZ   LYS  70          1HZ       LYS  70  -1.599   4.552  -6.746
  520   2HZ   LYS  70          2HZ       LYS  70  -1.721   3.187  -7.750
  521   3HZ   LYS  70          3HZ       LYS  70  -2.033   4.734  -8.375
  522    H    LEU  71           H        LEU  71   0.632   0.840  -6.222
  523    HA   LEU  71           HA       LEU  71  -0.019   0.212  -3.535
  524   1HB   LEU  71          1HB       LEU  71   0.945   2.689  -3.530
  525   2HB   LEU  71          2HB       LEU  71  -0.423   2.263  -2.509
  526    HG   LEU  71           HG       LEU  71  -1.101   3.141  -5.263
  527   1HD1  LEU  71          1HD1      LEU  71  -2.574   4.603  -3.477
  528   2HD1  LEU  71          2HD1      LEU  71  -2.214   3.164  -2.525
  529   3HD1  LEU  71          3HD1      LEU  71  -3.042   3.012  -4.075
  530   1HD2  LEU  71          1HD2      LEU  71  -0.201   5.147  -3.176
  531   2HD2  LEU  71          2HD2      LEU  71  -0.729   5.486  -4.825
  532   3HD2  LEU  71          3HD2      LEU  71   0.800   4.653  -4.542
  533    H    GLY  72           H        GLY  72  -0.957   1.210  -6.738
  534   2HA   GLY  72          1HA       GLY  72  -2.995   1.175  -7.874
  535   1HA   GLY  72          2HA       GLY  72  -3.797   1.417  -6.323
  536    H    GLU  73           H        GLU  73  -1.652  -1.265  -6.397
  537    HA   GLU  73           HA       GLU  73  -3.659  -3.242  -7.296
  538   2HB   GLU  73          1HB       GLU  73  -1.702  -4.743  -6.373
  539   1HB   GLU  73          2HB       GLU  73  -0.815  -3.221  -6.307
  540   2HG   GLU  73          1HG       GLU  73  -0.440  -3.333  -8.513
  541   1HG   GLU  73          2HG       GLU  73  -2.175  -3.371  -8.824
  542    H    PHE  74           H        PHE  74  -2.798  -1.596  -4.444
  543    HA   PHE  74           HA       PHE  74  -3.958  -3.662  -2.638
  544   1HB   PHE  74          1HB       PHE  74  -2.833  -2.443  -0.897
  545   2HB   PHE  74          2HB       PHE  74  -2.629  -1.031  -1.925
  546    HD1  PHE  74          1HD       PHE  74  -1.072  -3.988  -0.692
  547    HE1  PHE  74          1HE       PHE  74   1.182  -4.738  -1.342
  548    HZ   PHE  74           HZ       PHE  74   2.264  -3.833  -3.371
  549    HE2  PHE  74          2HE       PHE  74   1.081  -2.153  -4.745
  550    HD2  PHE  74          2HD       PHE  74  -1.150  -1.377  -4.096
  551    H    ALA  75           H        ALA  75  -4.537  -0.605  -4.196
  552    HA   ALA  75           HA       ALA  75  -7.123  -0.332  -2.708
  553   1HB   ALA  75          1HB       ALA  75  -4.956   1.691  -3.316
  554   2HB   ALA  75          2HB       ALA  75  -5.636   1.270  -1.744
  555   3HB   ALA  75          3HB       ALA  75  -6.599   2.185  -2.904
  556    HA   PRO  76           HA       PRO  76  -7.434   0.182  -7.374
  557   2HB   PRO  76          1HB       PRO  76  -6.583  -1.857  -8.052
  558   1HB   PRO  76          2HB       PRO  76  -8.298  -2.299  -8.134
  559   1HG   PRO  76          1HG       PRO  76  -6.437  -3.558  -6.570
  560   2HG   PRO  76          2HG       PRO  76  -8.176  -3.545  -6.245
  561   2HD   PRO  76          1HD       PRO  76  -6.026  -2.281  -4.772
  562   1HD   PRO  76          2HD       PRO  76  -7.736  -2.449  -4.325
  563    H    THR  77           H        THR  77  -9.196   1.024  -5.443
  564    HA   THR  77           HA       THR  77 -11.839  -0.232  -5.877
  565    HB   THR  77           HB       THR  77 -10.945   0.601  -3.659
  566    HG1  THR  77          1HG       THR  77 -13.309   1.881  -4.564
  567   1HG2  THR  77          1HG2      THR  77 -10.925   2.976  -3.205
  568   2HG2  THR  77          2HG2      THR  77 -11.542   3.336  -4.818
  569   3HG2  THR  77          3HG2      THR  77  -9.914   2.689  -4.622
  570    H    ARG  78           H        ARG  78 -10.053   2.621  -6.934
  571    HA   ARG  78           HA       ARG  78 -12.353   3.328  -8.715
  572   2HB   ARG  78          1HB       ARG  78 -10.689   5.502  -7.523
  573   1HB   ARG  78          2HB       ARG  78 -11.816   4.679  -6.445
  574   2HG   ARG  78          1HG       ARG  78 -13.659   5.143  -8.028
  575   1HG   ARG  78          2HG       ARG  78 -12.529   5.974  -9.096
  576   2HD   ARG  78          1HD       ARG  78 -13.390   7.782  -7.878
  577   1HD   ARG  78          2HD       ARG  78 -11.994   7.356  -6.870
  578    HE   ARG  78           HE       ARG  78 -14.834   6.611  -6.313
  579   1HH1  ARG  78          1HH1      ARG  78 -12.975   8.286  -4.523
  580   2HH1  ARG  78          2HH1      ARG  78 -12.585   7.131  -3.293
  581   1HH2  ARG  78          1HH2      ARG  78 -13.698   4.399  -5.131
  582   2HH2  ARG  78          2HH2      ARG  78 -12.996   4.926  -3.637
  583    H    THR  79           H        THR  79 -10.685   1.956 -10.062
  584    HA   THR  79           HA       THR  79  -9.041   1.877 -11.751
  585    HB   THR  79           HB       THR  79  -9.535   4.873 -11.815
  586    HG1  THR  79          1HG       THR  79 -11.528   4.298 -12.109
  587   1HG2  THR  79          1HG2      THR  79  -7.826   4.252 -13.360
  588   2HG2  THR  79          2HG2      THR  79  -9.304   4.395 -14.312
  589   3HG2  THR  79          3HG2      THR  79  -8.701   2.802 -13.853
  590    H    TYR  80           H        TYR  80  -7.598   1.513  -9.688
  591    HA   TYR  80           HA       TYR  80  -5.609   3.734  -9.386
  592   2HB   TYR  80          1HB       TYR  80  -5.277   1.614  -7.496
  593   1HB   TYR  80          2HB       TYR  80  -7.000   1.964  -7.610
  594    HD1  TYR  80          1HD       TYR  80  -3.679   3.344  -6.780
  595    HE1  TYR  80          1HE       TYR  80  -3.354   5.389  -5.418
  596    HE2  TYR  80          2HE       TYR  80  -7.575   6.170  -5.586
  597    HD2  TYR  80          2HD       TYR  80  -7.899   4.124  -6.949
  598    HH   TYR  80           HH       TYR  80  -4.961   7.751  -5.237

  No H/Q in entry =         598
  Start of MODEL    9
    1    H    GLY   8           H        GLY   8  11.501   4.378 -15.445
    2   2HA   GLY   8          1HA       GLY   8   8.554   4.472 -15.930
    3   1HA   GLY   8          2HA       GLY   8   9.618   5.878 -15.970
    4    H    VAL   9           H        VAL   9   8.650   3.274 -13.694
    5    HA   VAL   9           HA       VAL   9   8.164   5.328 -11.608
    6    HB   VAL   9           HB       VAL   9   7.062   3.424 -10.470
    7   1HG1  VAL   9          1HG1      VAL   9   5.240   3.148 -12.028
    8   2HG1  VAL   9          2HG1      VAL   9   6.293   3.512 -13.396
    9   3HG1  VAL   9          3HG1      VAL   9   5.883   4.776 -12.238
   10   1HG2  VAL   9          1HG2      VAL   9   7.358   1.247 -11.063
   11   2HG2  VAL   9          2HG2      VAL   9   8.809   1.840 -11.870
   12   3HG2  VAL   9          3HG2      VAL   9   7.321   1.615 -12.787
   13    H    PHE  10           H        PHE  10   8.870   4.646  -9.318
   14    HA   PHE  10           HA       PHE  10  11.548   3.308  -9.344
   15   2HB   PHE  10          1HB       PHE  10  10.740   6.064  -8.730
   16   1HB   PHE  10          2HB       PHE  10  12.333   5.427  -9.092
   17    HD1  PHE  10          1HD       PHE  10  13.835   4.659  -7.300
   18    HE1  PHE  10          1HE       PHE  10  14.450   4.880  -4.909
   19    HZ   PHE  10           HZ       PHE  10  12.797   5.741  -3.269
   20    HE2  PHE  10          2HE       PHE  10  10.521   6.385  -4.036
   21    HD2  PHE  10          2HD       PHE  10   9.906   6.169  -6.425
   22    H    VAL  11           H        VAL  11  11.996   2.094  -7.483
   23    HA   VAL  11           HA       VAL  11   9.708   1.712  -5.595
   24    HB   VAL  11           HB       VAL  11  10.319  -0.246  -6.956
   25   1HG1  VAL  11          1HG1      VAL  11  12.448  -0.744  -7.488
   26   2HG1  VAL  11          2HG1      VAL  11  12.907  -0.822  -5.788
   27   3HG1  VAL  11          3HG1      VAL  11  12.951   0.719  -6.642
   28   1HG2  VAL  11          1HG2      VAL  11  11.461  -1.440  -4.666
   29   2HG2  VAL  11          2HG2      VAL  11   9.755  -1.399  -5.108
   30   3HG2  VAL  11          3HG2      VAL  11  10.426  -0.144  -4.068
   31    H    ASP  12           H        ASP  12  10.079   2.818  -3.720
   32    HA   ASP  12           HA       ASP  12  12.324   4.086  -2.815
   33   2HB   ASP  12          1HB       ASP  12  10.417   2.494  -1.086
   34   1HB   ASP  12          2HB       ASP  12  10.048   4.067  -1.794
   35    H    ASP  13           H        ASP  13  14.376   3.273  -2.785
   36    HA   ASP  13           HA       ASP  13  15.058   0.540  -2.251
   37   2HB   ASP  13          1HB       ASP  13  16.846   2.958  -1.952
   38   1HB   ASP  13          2HB       ASP  13  16.310   2.408  -3.541
   39    H    HIS  14           H        HIS  14  14.502   3.378  -0.313
   40    HA   HIS  14           HA       HIS  14  15.893   2.634   2.066
   41   2HB   HIS  14          1HB       HIS  14  13.383   4.176   2.312
   42   1HB   HIS  14          2HB       HIS  14  14.491   4.789   1.081
   43    HD1  HIS  14          1HD       HIS  14  14.269   4.087   4.790
   44    HD2  HIS  14          2HD       HIS  14  16.860   5.944   2.103
   45    HE1  HIS  14          1HE       HIS  14  15.993   5.307   6.186
   46    H    LEU  15           H        LEU  15  12.919   1.511   0.650
   47    HA   LEU  15           HA       LEU  15  11.879   0.380   3.169
   48   1HB   LEU  15          1HB       LEU  15  10.816   1.262   0.766
   49   2HB   LEU  15          2HB       LEU  15   9.943   0.306   1.955
   50    HG   LEU  15           HG       LEU  15  11.622  -1.054  -0.139
   51   1HD1  LEU  15          1HD1      LEU  15  10.791  -2.471   1.632
   52   2HD1  LEU  15          2HD1      LEU  15   9.826  -2.793   0.195
   53   3HD1  LEU  15          3HD1      LEU  15   9.175  -1.785   1.487
   54   1HD2  LEU  15          1HD2      LEU  15  10.188   0.429  -1.416
   55   2HD2  LEU  15          2HD2      LEU  15   8.789  -0.020  -0.439
   56   3HD2  LEU  15          3HD2      LEU  15   9.529  -1.203  -1.518
   57    H    LEU  16           H        LEU  16  13.495  -0.652   0.187
   58    HA   LEU  16           HA       LEU  16  13.468  -3.473   0.622
   59   2HB   LEU  16          1HB       LEU  16  15.683  -3.104  -0.836
   60   1HB   LEU  16          2HB       LEU  16  15.003  -1.481  -0.983
   61    HG   LEU  16           HG       LEU  16  13.256  -3.883  -1.376
   62   1HD1  LEU  16          1HD1      LEU  16  13.206  -0.978  -1.861
   63   2HD1  LEU  16          2HD1      LEU  16  11.884  -2.091  -1.518
   64   3HD1  LEU  16          3HD1      LEU  16  12.519  -1.959  -3.159
   65   1HD2  LEU  16          1HD2      LEU  16  14.975  -2.591  -3.520
   66   2HD2  LEU  16          2HD2      LEU  16  13.799  -3.882  -3.770
   67   3HD2  LEU  16          3HD2      LEU  16  15.260  -4.189  -2.831
   68    H    GLU  17           H        GLU  17  15.844  -0.945   1.501
   69    HA   GLU  17           HA       GLU  17  17.852  -2.613   2.610
   70   1HB   GLU  17          1HB       GLU  17  18.037  -0.190   2.118
   71   2HB   GLU  17          2HB       GLU  17  18.560  -0.568   3.759
   72   2HG   GLU  17          1HG       GLU  17  15.841  -0.140   4.030
   73   1HG   GLU  17          2HG       GLU  17  16.321   1.065   2.843
   74    H    LYS  18           H        LYS  18  14.684  -1.887   3.832
   75    HA   LYS  18           HA       LYS  18  15.390  -2.829   6.570
   76   2HB   LYS  18          1HB       LYS  18  12.983  -2.007   6.943
   77   1HB   LYS  18          2HB       LYS  18  13.052  -1.392   5.294
   78   2HG   LYS  18          1HG       LYS  18  15.118  -0.111   5.929
   79   1HG   LYS  18          2HG       LYS  18  14.876  -0.634   7.596
   80   2HD   LYS  18          1HD       LYS  18  12.804   0.546   7.760
   81   1HD   LYS  18          2HD       LYS  18  12.730   0.802   6.016
   82   2HE   LYS  18          1HE       LYS  18  13.518   2.888   6.754
   83   1HE   LYS  18          2HE       LYS  18  15.049   2.047   6.441
   84   1HZ   LYS  18          1HZ       LYS  18  14.971   3.033   8.680
   85   2HZ   LYS  18          2HZ       LYS  18  15.096   1.341   8.748
   86   3HZ   LYS  18          3HZ       LYS  18  13.605   2.099   9.048
   87    H    VAL  19           H        VAL  19  13.507  -3.705   3.682
   88    HA   VAL  19           HA       VAL  19  12.033  -5.852   5.017
   89    HB   VAL  19           HB       VAL  19  11.483  -4.399   2.927
   90   1HG1  VAL  19          1HG1      VAL  19  13.599  -5.083   1.733
   91   2HG1  VAL  19          2HG1      VAL  19  12.120  -5.322   0.799
   92   3HG1  VAL  19          3HG1      VAL  19  12.905  -6.697   1.575
   93   1HG2  VAL  19          1HG2      VAL  19   9.785  -5.868   3.327
   94   2HG2  VAL  19          2HG2      VAL  19  10.894  -7.215   3.596
   95   3HG2  VAL  19          3HG2      VAL  19  10.464  -6.743   1.947
   96    H    LEU  20           H        LEU  20  14.945  -5.659   2.995
   97    HA   LEU  20           HA       LEU  20  15.279  -8.480   2.583
   98   1HB   LEU  20          1HB       LEU  20  16.456  -6.612   1.365
   99   2HB   LEU  20          2HB       LEU  20  17.548  -7.864   1.948
  100    HG   LEU  20           HG       LEU  20  17.022  -5.550   3.762
  101   1HD1  LEU  20          1HD1      LEU  20  18.569  -6.926   4.756
  102   2HD1  LEU  20          2HD1      LEU  20  19.689  -5.998   3.760
  103   3HD1  LEU  20          3HD1      LEU  20  19.129  -7.580   3.218
  104   1HD2  LEU  20          1HD2      LEU  20  18.651  -4.154   2.617
  105   2HD2  LEU  20          2HD2      LEU  20  17.369  -4.568   1.477
  106   3HD2  LEU  20          3HD2      LEU  20  18.921  -5.403   1.402
  107    H    GLU  21           H        GLU  21  15.849  -6.341   5.271
  108    HA   GLU  21           HA       GLU  21  17.553  -8.122   6.788
  109   2HB   GLU  21          1HB       GLU  21  16.144  -6.359   8.488
  110   1HB   GLU  21          2HB       GLU  21  16.346  -5.492   6.968
  111   1HG   GLU  21          1HG       GLU  21  18.803  -6.840   7.568
  112   2HG   GLU  21          2HG       GLU  21  18.294  -5.953   9.005
  113    H    LEU  22           H        LEU  22  14.083  -7.495   6.471
  114    HA   LEU  22           HA       LEU  22  13.268  -9.216   8.687
  115   2HB   LEU  22          1HB       LEU  22  11.014  -8.837   7.580
  116   1HB   LEU  22          2HB       LEU  22  11.859  -7.978   6.294
  117    HG   LEU  22           HG       LEU  22  12.171  -6.117   7.566
  118   1HD1  LEU  22          1HD1      LEU  22   9.772  -6.552   7.790
  119   2HD1  LEU  22          2HD1      LEU  22  10.388  -5.793   9.258
  120   3HD1  LEU  22          3HD1      LEU  22  10.066  -7.527   9.230
  121   1HD2  LEU  22          1HD2      LEU  22  13.783  -6.882   9.113
  122   2HD2  LEU  22          2HD2      LEU  22  12.674  -8.045   9.831
  123   3HD2  LEU  22          3HD2      LEU  22  12.467  -6.325  10.145
  124    H    ASN  23           H        ASN  23  13.926  -9.604   5.262
  125    HA   ASN  23           HA       ASN  23  12.682 -12.272   5.096
  126   2HB   ASN  23          1HB       ASN  23  13.941 -12.100   2.810
  127   1HB   ASN  23          2HB       ASN  23  14.264 -10.435   3.294
  128   1HD2  ASN  23          1HD2      ASN  23  12.650  -8.961   2.717
  129   2HD2  ASN  23          2HD2      ASN  23  11.037  -9.367   2.379
  130    H    ALA  24           H        ALA  24  15.691 -10.960   6.131
  131    HA   ALA  24           HA       ALA  24  17.285 -13.327   5.527
  132   1HB   ALA  24          1HB       ALA  24  18.245 -11.086   5.367
  133   2HB   ALA  24          2HB       ALA  24  19.034 -11.955   6.683
  134   3HB   ALA  24          3HB       ALA  24  17.792 -10.755   7.039
  135    H    LYS  25           H        LYS  25  15.786 -11.723   8.331
  136    HA   LYS  25           HA       LYS  25  16.726 -13.902  10.128
  137   1HB   LYS  25          1HB       LYS  25  15.967 -12.387  11.887
  138   2HB   LYS  25          2HB       LYS  25  15.140 -11.378  10.702
  139   1HG   LYS  25          1HG       LYS  25  17.388 -10.490  11.474
  140   2HG   LYS  25          2HG       LYS  25  17.221 -10.669   9.728
  141   2HD   LYS  25          1HD       LYS  25  19.366 -11.581  10.323
  142   1HD   LYS  25          2HD       LYS  25  18.311 -12.949   9.963
  143   2HE   LYS  25          1HE       LYS  25  17.872 -13.217  12.409
  144   1HE   LYS  25          2HE       LYS  25  19.001 -11.888  12.734
  145   1HZ   LYS  25          1HZ       LYS  25  19.630 -14.389  11.238
  146   2HZ   LYS  25          2HZ       LYS  25  20.114 -14.052  12.831
  147   3HZ   LYS  25          3HZ       LYS  25  20.717 -13.123  11.542
  148    H    GLY  26           H        GLY  26  13.895 -12.724   8.470
  149   2HA   GLY  26          1HA       GLY  26  12.351 -15.060   9.446
  150   1HA   GLY  26          2HA       GLY  26  11.919 -14.037   8.075
  151    H    GLU  27           H        GLU  27  12.493 -11.578   9.752
  152    HA   GLU  27           HA       GLU  27  10.667 -11.590  12.011
  153   2HB   GLU  27          1HB       GLU  27  11.028  -9.088  11.777
  154   1HB   GLU  27          2HB       GLU  27  11.961  -9.433  10.321
  155   2HG   GLU  27          1HG       GLU  27  13.310 -11.059  11.844
  156   1HG   GLU  27          2HG       GLU  27  12.586 -10.163  13.181
  157    H    LYS  28           H        LYS  28   8.464 -11.479  11.910
  158    HA   LYS  28           HA       LYS  28   7.134 -10.909   9.328
  159   2HB   LYS  28          1HB       LYS  28   5.158 -11.439  11.126
  160   1HB   LYS  28          2HB       LYS  28   6.527 -12.206  11.932
  161   2HG   LYS  28          1HG       LYS  28   6.027 -13.969  10.578
  162   1HG   LYS  28          2HG       LYS  28   6.901 -13.045   9.357
  163   1HD   LYS  28          1HD       LYS  28   3.966 -12.543   9.806
  164   2HD   LYS  28          2HD       LYS  28   4.481 -13.912   8.823
  165   2HE   LYS  28          1HE       LYS  28   4.601 -12.429   7.094
  166   1HE   LYS  28          2HE       LYS  28   6.048 -11.781   7.890
  167   1HZ   LYS  28          1HZ       LYS  28   4.596 -10.356   9.228
  168   2HZ   LYS  28          2HZ       LYS  28   3.230 -10.965   8.424
  169   3HZ   LYS  28          3HZ       LYS  28   4.380 -10.048   7.574
  170    H    ARG  29           H        ARG  29   7.336  -8.628   9.089
  171    HA   ARG  29           HA       ARG  29   5.557  -7.033  10.856
  172   2HB   ARG  29          1HB       ARG  29   8.161  -5.766  10.256
  173   1HB   ARG  29          2HB       ARG  29   8.258  -7.160  11.322
  174   2HG   ARG  29          1HG       ARG  29   6.534  -6.151  12.787
  175   1HG   ARG  29          2HG       ARG  29   6.475  -4.742  11.728
  176   1HD   ARG  29          1HD       ARG  29   9.030  -5.685  13.075
  177   2HD   ARG  29          2HD       ARG  29   7.961  -4.452  13.770
  178    HE   ARG  29           HE       ARG  29   9.519  -4.188  11.244
  179   1HH1  ARG  29          1HH1      ARG  29   9.484  -2.339  13.735
  180   2HH1  ARG  29          2HH1      ARG  29   8.628  -0.976  13.094
  181   1HH2  ARG  29          1HH2      ARG  29   7.452  -2.686  10.308
  182   2HH2  ARG  29          2HH2      ARG  29   7.475  -1.173  11.150
  183    H    LEU  30           H        LEU  30   6.283  -4.526   9.818
  184    HA   LEU  30           HA       LEU  30   5.625  -4.814   6.915
  185   1HB   LEU  30          1HB       LEU  30   3.916  -3.962   8.700
  186   2HB   LEU  30          2HB       LEU  30   4.076  -3.067   7.197
  187    HG   LEU  30           HG       LEU  30   6.017  -1.916   8.829
  188   1HD1  LEU  30          1HD1      LEU  30   4.721  -0.539   7.427
  189   2HD1  LEU  30          2HD1      LEU  30   4.187  -0.088   9.046
  190   3HD1  LEU  30          3HD1      LEU  30   3.200  -1.168   8.061
  191   1HD2  LEU  30          1HD2      LEU  30   4.805  -1.381  10.919
  192   2HD2  LEU  30          2HD2      LEU  30   5.084  -3.116  10.779
  193   3HD2  LEU  30          3HD2      LEU  30   3.490  -2.448  10.428
  194    H    ILE  31           H        ILE  31   6.343  -2.885   5.585
  195    HA   ILE  31           HA       ILE  31   8.942  -1.815   6.642
  196    HB   ILE  31           HB       ILE  31   8.013  -2.255   3.780
  197   1HG2  ILE  31          1HG2      ILE  31  10.577  -2.088   3.447
  198   2HG2  ILE  31          2HG2      ILE  31  10.590  -1.326   5.036
  199   3HG2  ILE  31          3HG2      ILE  31   9.681  -0.593   3.713
  200   1HG1  ILE  31          1HG1      ILE  31   9.661  -4.142   3.827
  201   2HG1  ILE  31          2HG1      ILE  31   8.258  -4.406   4.857
  202   1HD1  ILE  31          1HD1      ILE  31  10.946  -3.373   5.809
  203   2HD1  ILE  31          2HD1      ILE  31  10.375  -5.033   5.990
  204   3HD1  ILE  31          3HD1      ILE  31   9.546  -3.721   6.825
  205    H    LYS  32           H        LYS  32   9.431   0.427   5.954
  206    HA   LYS  32           HA       LYS  32   6.951   2.043   5.444
  207   1HB   LYS  32          1HB       LYS  32   7.923   3.670   7.028
  208   2HB   LYS  32          2HB       LYS  32   9.335   2.631   7.228
  209   1HG   LYS  32          1HG       LYS  32   6.743   1.279   7.641
  210   2HG   LYS  32          2HG       LYS  32   7.106   2.535   8.825
  211   1HD   LYS  32          1HD       LYS  32   9.111   0.397   8.072
  212   2HD   LYS  32          2HD       LYS  32   7.937   0.164   9.366
  213   2HE   LYS  32          1HE       LYS  32   9.262   1.346  10.779
  214   1HE   LYS  32          2HE       LYS  32   9.190   2.746   9.692
  215   1HZ   LYS  32          1HZ       LYS  32  11.464   1.936   9.907
  216   2HZ   LYS  32          2HZ       LYS  32  10.906   1.685   8.323
  217   3HZ   LYS  32          3HZ       LYS  32  10.989   0.384   9.414
  218    H    THR  33           H        THR  33   7.260   4.006   4.222
  219    HA   THR  33           HA       THR  33   9.920   4.336   2.880
  220    HB   THR  33           HB       THR  33   7.173   3.964   1.658
  221    HG1  THR  33          1HG       THR  33   7.997   2.030   1.645
  222   1HG2  THR  33          1HG2      THR  33   8.672   4.210  -0.505
  223   2HG2  THR  33          2HG2      THR  33   9.658   5.211   0.560
  224   3HG2  THR  33          3HG2      THR  33   7.972   5.630   0.267
  225    H    TRP  34           H        TRP  34  10.264   6.516   2.041
  226    HA   TRP  34           HA       TRP  34   8.191   8.573   2.676
  227   1HB   TRP  34          1HB       TRP  34   9.828   9.868   3.963
  228   2HB   TRP  34          2HB       TRP  34  11.065   8.655   3.651
  229    HD1  TRP  34           HD       TRP  34   7.885   9.240   5.673
  230    HE3  TRP  34          3HE       TRP  34  11.799   6.279   4.308
  231    HE1  TRP  34          1HE       TRP  34   7.766   7.469   7.544
  232    HZ3  TRP  34          3HZ       TRP  34  12.395   4.276   5.644
  233    HZ2  TRP  34          2HZ       TRP  34   9.169   5.103   8.357
  234    HH2  TRP  34           HH       TRP  34  11.083   3.684   7.662
  235    H    SER  35           H        SER  35   9.364   7.566   0.095
  236    HA   SER  35           HA       SER  35  11.160   9.746  -0.784
  237   2HB   SER  35          1HB       SER  35  10.623   8.269  -3.003
  238   1HB   SER  35          2HB       SER  35  10.229   7.099  -1.747
  239    HG   SER  35           HG       SER  35  12.261   6.866  -1.389
  240    H    ARG  36           H        ARG  36   8.703   8.544  -2.986
  241    HA   ARG  36           HA       ARG  36   6.844  10.766  -2.720
  242   2HB   ARG  36          1HB       ARG  36   8.922  10.792  -4.942
  243   1HB   ARG  36          2HB       ARG  36   8.821  11.942  -3.610
  244   2HG   ARG  36          1HG       ARG  36   6.851  12.921  -4.443
  245   1HG   ARG  36          2HG       ARG  36   6.468  11.523  -5.447
  246   1HD   ARG  36          1HD       ARG  36   8.925  13.236  -5.929
  247   2HD   ARG  36          2HD       ARG  36   7.366  13.556  -6.712
  248    HE   ARG  36           HE       ARG  36   8.868  10.967  -6.968
  249   1HH1  ARG  36          1HH1      ARG  36   5.814  11.559  -7.625
  250   2HH1  ARG  36          2HH1      ARG  36   5.915  11.596  -9.354
  251   1HH2  ARG  36          1HH2      ARG  36   9.385  11.784  -9.413
  252   2HH2  ARG  36          2HH2      ARG  36   7.941  11.723 -10.368
  253    H    ARG  37           H        ARG  37   8.224   8.981  -5.511
  254    HA   ARG  37           HA       ARG  37   5.486   7.918  -6.110
  255   2HB   ARG  37          1HB       ARG  37   6.545   9.224  -7.891
  256   1HB   ARG  37          2HB       ARG  37   6.494   7.533  -8.381
  257   2HG   ARG  37          1HG       ARG  37   8.916   7.764  -7.007
  258   1HG   ARG  37          2HG       ARG  37   8.803   9.259  -7.934
  259   2HD   ARG  37          1HD       ARG  37   8.031   7.543  -9.855
  260   1HD   ARG  37          2HD       ARG  37   9.038   6.446  -8.893
  261    HE   ARG  37           HE       ARG  37  10.670   8.589  -9.026
  262   1HH1  ARG  37          1HH1      ARG  37  11.700   6.746 -10.835
  263   2HH1  ARG  37          2HH1      ARG  37  11.385   7.380 -12.415
  264   1HH2  ARG  37          1HH2      ARG  37   8.944   9.602 -11.326
  265   2HH2  ARG  37          2HH2      ARG  37   9.821   9.002 -12.695
  266    H    SER  38           H        SER  38   6.886   6.797  -3.988
  267    HA   SER  38           HA       SER  38   8.615   4.637  -4.415
  268   2HB   SER  38          1HB       SER  38   7.455   3.890  -2.216
  269   1HB   SER  38          2HB       SER  38   6.472   5.351  -2.410
  270    HG   SER  38           HG       SER  38   8.108   6.528  -1.883
  271    H    THR  39           H        THR  39   8.262   2.372  -4.570
  272    HA   THR  39           HA       THR  39   5.540   1.427  -5.359
  273    HB   THR  39           HB       THR  39   8.153   1.138  -6.880
  274    HG1  THR  39          1HG       THR  39   7.343   2.846  -7.773
  275   1HG2  THR  39          1HG2      THR  39   5.547  -0.343  -7.090
  276   2HG2  THR  39          2HG2      THR  39   7.194  -0.961  -7.227
  277   3HG2  THR  39          3HG2      THR  39   6.489  -0.030  -8.548
  278    H    ILE  40           H        ILE  40   5.393  -0.988  -5.263
  279    HA   ILE  40           HA       ILE  40   6.870  -2.060  -2.949
  280    HB   ILE  40           HB       ILE  40   4.779  -3.177  -4.839
  281   1HG2  ILE  40          1HG2      ILE  40   4.435  -4.943  -3.173
  282   2HG2  ILE  40          2HG2      ILE  40   5.761  -4.303  -2.205
  283   3HG2  ILE  40          3HG2      ILE  40   6.079  -4.997  -3.793
  284   1HG1  ILE  40          1HG1      ILE  40   4.739  -1.695  -2.237
  285   2HG1  ILE  40          2HG1      ILE  40   3.493  -2.910  -2.523
  286   1HD1  ILE  40          1HD1      ILE  40   3.291  -1.687  -4.865
  287   2HD1  ILE  40          2HD1      ILE  40   4.013  -0.342  -3.975
  288   3HD1  ILE  40          3HD1      ILE  40   2.483  -1.031  -3.438
  289    H    VAL  41           H        VAL  41   7.766  -4.357  -3.131
  290    HA   VAL  41           HA       VAL  41   9.147  -4.881  -5.745
  291    HB   VAL  41           HB       VAL  41  10.848  -5.753  -3.652
  292   1HG1  VAL  41          1HG1      VAL  41  10.892  -4.073  -5.989
  293   2HG1  VAL  41          2HG1      VAL  41  12.231  -4.921  -5.216
  294   3HG1  VAL  41          3HG1      VAL  41  11.809  -3.289  -4.703
  295   1HG2  VAL  41          1HG2      VAL  41  10.383  -2.804  -3.233
  296   2HG2  VAL  41          2HG2      VAL  41  11.146  -3.976  -2.160
  297   3HG2  VAL  41          3HG2      VAL  41   9.397  -3.959  -2.343
  298    HA   PRO  42           HA       PRO  42   8.145  -9.078  -5.231
  299   2HB   PRO  42          1HB       PRO  42   9.606  -9.598  -6.924
  300   1HB   PRO  42          2HB       PRO  42  10.487 -10.421  -5.624
  301   1HG   PRO  42          1HG       PRO  42  11.638  -8.552  -7.123
  302   2HG   PRO  42          2HG       PRO  42  11.988  -8.695  -5.393
  303   2HD   PRO  42          1HD       PRO  42  10.324  -6.697  -6.839
  304   1HD   PRO  42          2HD       PRO  42  11.323  -6.508  -5.382
  305    H    GLU  43           H        GLU  43  10.947  -8.111  -3.295
  306    HA   GLU  43           HA       GLU  43  10.852 -10.367  -1.483
  307   1HB   GLU  43          1HB       GLU  43  12.845  -8.965  -1.899
  308   2HB   GLU  43          2HB       GLU  43  12.430  -8.980  -0.185
  309   2HG   GLU  43          1HG       GLU  43  11.898  -6.767  -0.174
  310   1HG   GLU  43          2HG       GLU  43  11.115  -6.844  -1.749
  311    H    MET  44           H        MET  44   8.689  -7.830  -1.893
  312    HA   MET  44           HA       MET  44   8.012  -7.415   0.945
  313   1HB   MET  44          1HB       MET  44   6.557  -5.729   0.055
  314   2HB   MET  44          2HB       MET  44   6.606  -6.450  -1.549
  315   1HG   MET  44          1HG       MET  44   8.064  -4.396  -1.240
  316   2HG   MET  44          2HG       MET  44   8.893  -5.818  -1.860
  317   1HE   MET  44          1HE       MET  44   7.364  -4.952   1.296
  318   2HE   MET  44          2HE       MET  44   8.616  -4.262   2.318
  319   3HE   MET  44          3HE       MET  44   8.329  -5.999   2.340
  320    H    VAL  45           H        VAL  45   7.422 -10.057  -0.805
  321    HA   VAL  45           HA       VAL  45   4.586 -10.320  -0.998
  322    HB   VAL  45           HB       VAL  45   6.803 -12.357  -0.607
  323   1HG1  VAL  45          1HG1      VAL  45   3.894 -12.612  -1.179
  324   2HG1  VAL  45          2HG1      VAL  45   4.987 -13.734  -0.369
  325   3HG1  VAL  45          3HG1      VAL  45   4.980 -13.626  -2.129
  326   1HG2  VAL  45          1HG2      VAL  45   5.547 -11.745  -3.247
  327   2HG2  VAL  45          2HG2      VAL  45   7.204 -12.221  -2.873
  328   3HG2  VAL  45          3HG2      VAL  45   6.679 -10.563  -2.587
  329    H    GLY  46           H        GLY  46   6.161  -9.822   1.875
  330   2HA   GLY  46          1HA       GLY  46   5.593 -11.603   3.806
  331   1HA   GLY  46          2HA       GLY  46   3.965 -11.065   3.387
  332    H    HIS  47           H        HIS  47   4.930  -8.302   2.742
  333    HA   HIS  47           HA       HIS  47   5.202  -7.347   5.562
  334   1HB   HIS  47          1HB       HIS  47   7.016  -5.911   4.968
  335   2HB   HIS  47          2HB       HIS  47   6.758  -6.172   3.249
  336    HD1  HIS  47          1HD       HIS  47   8.464  -7.595   6.218
  337    HD2  HIS  47          2HD       HIS  47   7.639  -8.786   2.304
  338    HE1  HIS  47          1HE       HIS  47   9.943  -9.597   5.750
  339    H    THR  48           H        THR  48   4.308  -5.289   5.924
  340    HA   THR  48           HA       THR  48   2.364  -4.339   3.878
  341    HB   THR  48           HB       THR  48   2.466  -3.238   6.654
  342    HG1  THR  48          1HG       THR  48   2.409  -5.087   7.601
  343   1HG2  THR  48          1HG2      THR  48   0.634  -3.266   4.620
  344   2HG2  THR  48          2HG2      THR  48   0.244  -2.961   6.312
  345   3HG2  THR  48          3HG2      THR  48   0.055  -4.582   5.642
  346    H    ILE  49           H        ILE  49   4.024  -3.237   2.596
  347    HA   ILE  49           HA       ILE  49   5.843  -1.306   3.753
  348    HB   ILE  49           HB       ILE  49   4.791  -1.674   0.933
  349   1HG2  ILE  49          1HG2      ILE  49   5.824   0.576   1.426
  350   2HG2  ILE  49          2HG2      ILE  49   6.700  -0.362   0.219
  351   3HG2  ILE  49          3HG2      ILE  49   7.309  -0.265   1.871
  352   2HG1  ILE  49          1HG1      ILE  49   5.934  -3.662   1.815
  353   1HG1  ILE  49          2HG1      ILE  49   7.305  -2.668   2.306
  354   1HD1  ILE  49          1HD1      ILE  49   7.046  -1.951  -0.326
  355   2HD1  ILE  49          2HD1      ILE  49   6.534  -3.636  -0.384
  356   3HD1  ILE  49          3HD1      ILE  49   8.125  -3.221   0.243
  357    H    ALA  50           H        ALA  50   5.199   0.638   4.605
  358    HA   ALA  50           HA       ALA  50   2.669   1.872   3.785
  359   1HB   ALA  50          1HB       ALA  50   4.930   2.721   5.611
  360   2HB   ALA  50          2HB       ALA  50   3.400   1.987   6.093
  361   3HB   ALA  50          3HB       ALA  50   3.421   3.620   5.419
  362    H    VAL  51           H        VAL  51   3.440   1.823   1.522
  363    HA   VAL  51           HA       VAL  51   5.648   3.202   0.464
  364    HB   VAL  51           HB       VAL  51   4.298   3.222  -1.618
  365   1HG1  VAL  51          1HG1      VAL  51   4.063   0.860  -1.812
  366   2HG1  VAL  51          2HG1      VAL  51   3.736   0.676  -0.089
  367   3HG1  VAL  51          3HG1      VAL  51   5.355   1.110  -0.638
  368   1HG2  VAL  51          1HG2      VAL  51   2.093   2.888   0.369
  369   2HG2  VAL  51          2HG2      VAL  51   1.935   2.031  -1.163
  370   3HG2  VAL  51          3HG2      VAL  51   2.111   3.787  -1.148
  371    H    TYR  52           H        TYR  52   6.164   5.311   0.390
  372    HA   TYR  52           HA       TYR  52   4.316   7.368   1.316
  373   2HB   TYR  52          1HB       TYR  52   7.002   7.693  -0.054
  374   1HB   TYR  52          2HB       TYR  52   6.860   7.219   1.638
  375    HD1  TYR  52          1HD       TYR  52   5.080   8.748   3.001
  376    HE1  TYR  52          1HE       TYR  52   4.795  11.123   3.650
  377    HE2  TYR  52          2HE       TYR  52   7.000  12.334   0.169
  378    HD2  TYR  52          2HD       TYR  52   7.282   9.959  -0.476
  379    HH   TYR  52           HH       TYR  52   5.297  13.665   1.587
  380    H    ASN  53           H        ASN  53   2.612   7.658  -0.160
  381    HA   ASN  53           HA       ASN  53   3.005   7.572  -3.036
  382   1HB   ASN  53          1HB       ASN  53   0.918   7.028  -1.650
  383   2HB   ASN  53          2HB       ASN  53   0.659   7.978  -3.110
  384   1HD2  ASN  53          1HD2      ASN  53  -0.368   9.993  -2.847
  385   2HD2  ASN  53          2HD2      ASN  53  -0.651  10.732  -1.346
  386    H    GLY  54           H        GLY  54   4.225   9.777  -1.034
  387   2HA   GLY  54          1HA       GLY  54   3.617  12.094  -2.822
  388   1HA   GLY  54          2HA       GLY  54   5.244  11.766  -2.218
  389    H    LYS  55           H        LYS  55   2.420  11.207  -0.246
  390    HA   LYS  55           HA       LYS  55   3.306  13.381   1.597
  391   2HB   LYS  55          1HB       LYS  55   1.568  14.499   0.521
  392   1HB   LYS  55          2HB       LYS  55   0.708  13.721   1.847
  393   2HG   LYS  55          1HG       LYS  55  -0.666  13.012   0.168
  394   1HG   LYS  55          2HG       LYS  55   0.550  11.747   0.011
  395   2HD   LYS  55          1HD       LYS  55   1.302  12.559  -1.980
  396   1HD   LYS  55          2HD       LYS  55   1.194  14.234  -1.442
  397   1HE   LYS  55          1HE       LYS  55  -1.383  12.778  -1.887
  398   2HE   LYS  55          2HE       LYS  55  -0.459  13.268  -3.320
  399   1HZ   LYS  55          1HZ       LYS  55  -0.313  15.505  -2.408
  400   2HZ   LYS  55          2HZ       LYS  55  -1.183  15.030  -1.027
  401   3HZ   LYS  55          3HZ       LYS  55  -1.939  15.045  -2.549
  402    H    GLN  56           H        GLN  56   1.667  10.288   1.130
  403    HA   GLN  56           HA       GLN  56   1.633   9.934   4.107
  404   1HB   GLN  56          1HB       GLN  56  -0.464  10.230   2.289
  405   2HB   GLN  56          2HB       GLN  56  -0.590   9.707   3.966
  406   1HG   GLN  56          1HG       GLN  56   0.222   7.494   2.289
  407   2HG   GLN  56          2HG       GLN  56  -1.248   8.225   1.665
  408   1HE2  GLN  56          1HE2      GLN  56   0.149   7.136   4.821
  409   2HE2  GLN  56          2HE2      GLN  56  -1.325   6.580   5.444
  410    H    HIS  57           H        HIS  57   1.919   7.813   4.876
  411    HA   HIS  57           HA       HIS  57   3.384   5.979   3.039
  412   1HB   HIS  57          1HB       HIS  57   4.486   5.261   4.967
  413   2HB   HIS  57          2HB       HIS  57   3.103   5.561   6.001
  414    HD1  HIS  57          1HD       HIS  57   2.951   7.811   7.158
  415    HD2  HIS  57          2HD       HIS  57   6.021   7.672   4.345
  416    HE1  HIS  57          1HE       HIS  57   4.302   9.931   7.465
  417    H    VAL  58           H        VAL  58   1.663   4.817   2.019
  418    HA   VAL  58           HA       VAL  58  -0.603   3.806   3.625
  419    HB   VAL  58           HB       VAL  58   0.204   3.365   0.724
  420   1HG1  VAL  58          1HG1      VAL  58  -2.481   3.062   2.107
  421   2HG1  VAL  58          2HG1      VAL  58  -1.437   1.725   1.626
  422   3HG1  VAL  58          3HG1      VAL  58  -2.151   2.771   0.399
  423   1HG2  VAL  58          1HG2      VAL  58  -1.621   5.427   2.006
  424   2HG2  VAL  58          2HG2      VAL  58  -1.486   5.157   0.270
  425   3HG2  VAL  58          3HG2      VAL  58  -0.096   5.750   1.180
  426    HA   PRO  59           HA       PRO  59   2.086   0.231   4.483
  427   2HB   PRO  59          1HB       PRO  59   1.605   0.487   6.734
  428   1HB   PRO  59          2HB       PRO  59   0.460  -0.834   6.422
  429   1HG   PRO  59          1HG       PRO  59  -0.353   1.498   7.414
  430   2HG   PRO  59          2HG       PRO  59  -1.333   0.613   6.233
  431   2HD   PRO  59          1HD       PRO  59   0.369   3.036   5.861
  432   1HD   PRO  59          2HD       PRO  59  -1.183   2.621   5.105
  433    H    VAL  60           H        VAL  60   1.647  -0.663   2.453
  434    HA   VAL  60           HA       VAL  60  -0.875  -2.189   2.055
  435    HB   VAL  60           HB       VAL  60   0.022  -2.447  -0.236
  436   1HG1  VAL  60          1HG1      VAL  60   0.517   0.355  -0.167
  437   2HG1  VAL  60          2HG1      VAL  60  -0.695  -0.004   1.063
  438   3HG1  VAL  60          3HG1      VAL  60  -0.974  -0.474  -0.613
  439   1HG2  VAL  60          1HG2      VAL  60   2.261  -2.443  -0.459
  440   2HG2  VAL  60          2HG2      VAL  60   2.489  -1.634   1.088
  441   3HG2  VAL  60          3HG2      VAL  60   2.166  -0.683  -0.361
  442    H    TYR  61           H        TYR  61  -0.839  -4.253   2.949
  443    HA   TYR  61           HA       TYR  61   1.640  -5.748   3.278
  444   2HB   TYR  61          1HB       TYR  61  -1.145  -6.920   3.251
  445   1HB   TYR  61          2HB       TYR  61  -0.603  -5.909   4.595
  446    HD1  TYR  61          1HD       TYR  61   0.807  -8.668   2.452
  447    HE1  TYR  61          1HE       TYR  61   2.059 -10.579   3.380
  448    HE2  TYR  61          2HE       TYR  61   1.558  -8.972   7.339
  449    HD2  TYR  61          2HD       TYR  61   0.300  -7.060   6.403
  450    HH   TYR  61           HH       TYR  61   1.963 -11.645   6.205
  451    H    ILE  62           H        ILE  62   2.663  -6.217   1.358
  452    HA   ILE  62           HA       ILE  62   1.148  -6.919  -1.051
  453    HB   ILE  62           HB       ILE  62   4.106  -6.870  -0.400
  454   1HG2  ILE  62          1HG2      ILE  62   4.542  -7.032  -2.689
  455   2HG2  ILE  62          2HG2      ILE  62   2.920  -6.510  -3.139
  456   3HG2  ILE  62          3HG2      ILE  62   3.179  -8.136  -2.507
  457   1HG1  ILE  62          1HG1      ILE  62   2.162  -4.770  -0.686
  458   2HG1  ILE  62          2HG1      ILE  62   3.301  -4.684  -2.026
  459   1HD1  ILE  62          1HD1      ILE  62   4.053  -4.843   0.911
  460   2HD1  ILE  62          2HD1      ILE  62   4.095  -3.380  -0.074
  461   3HD1  ILE  62          3HD1      ILE  62   5.181  -4.719  -0.437
  462    H    THR  63           H        THR  63   0.645  -8.962  -1.634
  463    HA   THR  63           HA       THR  63   1.815 -11.256  -0.151
  464    HB   THR  63           HB       THR  63  -0.029 -12.488  -1.199
  465    HG1  THR  63          1HG       THR  63  -0.785 -11.843  -3.028
  466   1HG2  THR  63          1HG2      THR  63  -1.194  -9.798  -0.493
  467   2HG2  THR  63          2HG2      THR  63  -0.460 -10.834   0.731
  468   3HG2  THR  63          3HG2      THR  63  -1.861 -11.400  -0.179
  469    H    GLU  64           H        GLU  64   1.488 -13.060  -2.484
  470    HA   GLU  64           HA       GLU  64   4.026 -12.379  -3.839
  471   2HB   GLU  64          1HB       GLU  64   3.655 -14.659  -3.049
  472   1HB   GLU  64          2HB       GLU  64   3.692 -14.676  -4.812
  473   1HG   GLU  64          1HG       GLU  64   0.994 -14.188  -3.993
  474   2HG   GLU  64          2HG       GLU  64   1.598 -15.577  -3.089
  475    H    ASN  65           H        ASN  65   0.975 -11.312  -4.420
  476    HA   ASN  65           HA       ASN  65   1.485 -11.138  -7.345
  477   1HB   ASN  65          1HB       ASN  65   0.158 -13.180  -6.826
  478   2HB   ASN  65          2HB       ASN  65  -0.731 -12.034  -7.832
  479   1HD2  ASN  65          1HD2      ASN  65  -2.578 -10.933  -6.863
  480   2HD2  ASN  65          2HD2      ASN  65  -3.206 -11.396  -5.355
  481    H    MET  66           H        MET  66   1.228  -9.272  -4.842
  482    HA   MET  66           HA       MET  66  -0.912  -7.453  -5.875
  483   2HB   MET  66          1HB       MET  66  -0.684  -6.466  -3.592
  484   1HB   MET  66          2HB       MET  66   0.522  -7.697  -3.220
  485   2HG   MET  66          1HG       MET  66  -1.331  -8.819  -2.452
  486   1HG   MET  66          2HG       MET  66  -1.464  -9.279  -4.149
  487   1HE   MET  66          1HE       MET  66  -4.481  -8.055  -5.447
  488   2HE   MET  66          2HE       MET  66  -2.929  -8.877  -5.585
  489   3HE   MET  66          3HE       MET  66  -3.035  -7.149  -5.913
  490    H    VAL  67           H        VAL  67   2.535  -7.782  -5.280
  491    HA   VAL  67           HA       VAL  67   3.334  -5.027  -5.433
  492    HB   VAL  67           HB       VAL  67   4.765  -6.808  -4.574
  493   1HG1  VAL  67          1HG1      VAL  67   5.785  -8.343  -6.458
  494   2HG1  VAL  67          2HG1      VAL  67   4.292  -7.954  -7.314
  495   3HG1  VAL  67          3HG1      VAL  67   4.225  -8.759  -5.746
  496   1HG2  VAL  67          1HG2      VAL  67   5.856  -4.850  -5.667
  497   2HG2  VAL  67          2HG2      VAL  67   5.884  -5.742  -7.186
  498   3HG2  VAL  67          3HG2      VAL  67   6.823  -6.316  -5.811
  499    H    GLY  68           H        GLY  68   4.559  -4.037  -7.255
  500   2HA   GLY  68          1HA       GLY  68   3.536  -4.927  -9.921
  501   1HA   GLY  68          2HA       GLY  68   5.162  -4.293  -9.686
  502    H    HIS  69           H        HIS  69   2.887  -2.578  -7.758
  503    HA   HIS  69           HA       HIS  69   2.712  -0.483  -9.891
  504   2HB   HIS  69          1HB       HIS  69   0.520   0.041  -8.793
  505   1HB   HIS  69          2HB       HIS  69   0.739  -1.348  -7.739
  506    HD1  HIS  69          1HD       HIS  69  -1.013  -0.529 -10.669
  507    HD2  HIS  69          2HD       HIS  69   1.449  -3.752  -9.677
  508    HE1  HIS  69          1HE       HIS  69  -1.582  -2.391 -12.290
  509    H    LYS  70           H        LYS  70   1.664  -0.211  -6.554
  510    HA   LYS  70           HA       LYS  70   3.930   1.036  -5.396
  511   2HB   LYS  70          1HB       LYS  70   3.824   2.815  -6.928
  512   1HB   LYS  70          2HB       LYS  70   2.928   3.443  -5.549
  513   1HG   LYS  70          1HG       LYS  70   1.392   1.904  -7.579
  514   2HG   LYS  70          2HG       LYS  70   1.943   3.509  -8.043
  515   2HD   LYS  70          1HD       LYS  70   0.971   4.100  -5.613
  516   1HD   LYS  70          2HD       LYS  70  -0.041   2.699  -5.966
  517   1HE   LYS  70          1HE       LYS  70   0.184   4.527  -8.256
  518   2HE   LYS  70          2HE       LYS  70  -0.545   5.292  -6.831
  519   1HZ   LYS  70          1HZ       LYS  70  -2.060   3.443  -6.632
  520   2HZ   LYS  70          2HZ       LYS  70  -1.309   2.622  -7.917
  521   3HZ   LYS  70          3HZ       LYS  70  -2.171   4.056  -8.208
  522    H    LEU  71           H        LEU  71   0.512   0.812  -5.627
  523    HA   LEU  71           HA       LEU  71  -0.055   0.126  -2.948
  524   1HB   LEU  71          1HB       LEU  71   0.810   2.613  -2.835
  525   2HB   LEU  71          2HB       LEU  71  -0.585   2.143  -1.877
  526    HG   LEU  71           HG       LEU  71  -1.196   3.069  -4.625
  527   1HD1  LEU  71          1HD1      LEU  71  -2.335   3.168  -1.873
  528   2HD1  LEU  71          2HD1      LEU  71  -3.131   2.812  -3.406
  529   3HD1  LEU  71          3HD1      LEU  71  -2.772   4.480  -2.966
  530   1HD2  LEU  71          1HD2      LEU  71  -0.541   5.156  -2.557
  531   2HD2  LEU  71          2HD2      LEU  71  -0.698   5.341  -4.304
  532   3HD2  LEU  71          3HD2      LEU  71   0.724   4.546  -3.625
  533    H    GLY  72           H        GLY  72  -1.099   1.207  -6.094
  534   2HA   GLY  72          1HA       GLY  72  -3.165   1.177  -7.177
  535   1HA   GLY  72          2HA       GLY  72  -3.942   1.258  -5.597
  536    H    GLU  73           H        GLU  73  -1.658  -1.310  -6.029
  537    HA   GLU  73           HA       GLU  73  -3.647  -3.272  -6.988
  538   2HB   GLU  73          1HB       GLU  73  -1.560  -4.764  -6.312
  539   1HB   GLU  73          2HB       GLU  73  -0.739  -3.205  -6.236
  540   2HG   GLU  73          1HG       GLU  73  -0.447  -4.032  -8.464
  541   1HG   GLU  73          2HG       GLU  73  -1.646  -2.742  -8.560
  542    H    PHE  74           H        PHE  74  -2.500  -1.978  -4.015
  543    HA   PHE  74           HA       PHE  74  -3.626  -4.244  -2.434
  544   1HB   PHE  74          1HB       PHE  74  -2.166  -3.521  -0.717
  545   2HB   PHE  74          2HB       PHE  74  -2.043  -1.898  -1.387
  546    HD1  PHE  74          1HD       PHE  74  -0.626  -1.448  -3.370
  547    HE1  PHE  74          1HE       PHE  74   1.422  -2.096  -4.581
  548    HZ   PHE  74           HZ       PHE  74   2.360  -4.366  -4.295
  549    HE2  PHE  74          2HE       PHE  74   1.249  -5.990  -2.811
  550    HD2  PHE  74          2HD       PHE  74  -0.808  -5.366  -1.609
  551    H    ALA  75           H        ALA  75  -4.213  -0.992  -3.460
  552    HA   ALA  75           HA       ALA  75  -6.558  -0.828  -1.611
  553   1HB   ALA  75          1HB       ALA  75  -4.542   1.343  -2.290
  554   2HB   ALA  75          2HB       ALA  75  -4.680   0.518  -0.737
  555   3HB   ALA  75          3HB       ALA  75  -5.980   1.571  -1.294
  556    HA   PRO  76           HA       PRO  76  -7.417   0.339  -6.071
  557   2HB   PRO  76          1HB       PRO  76  -6.757  -1.619  -7.106
  558   1HB   PRO  76          2HB       PRO  76  -8.488  -1.990  -7.029
  559   1HG   PRO  76          1HG       PRO  76  -6.495  -3.487  -5.868
  560   2HG   PRO  76          2HG       PRO  76  -8.192  -3.501  -5.373
  561   2HD   PRO  76          1HD       PRO  76  -5.894  -2.522  -3.938
  562   1HD   PRO  76          2HD       PRO  76  -7.575  -2.649  -3.382
  563    H    THR  77           H        THR  77  -8.896   0.970  -3.845
  564    HA   THR  77           HA       THR  77 -11.542  -0.153  -3.715
  565    HB   THR  77           HB       THR  77 -10.522   2.612  -2.980
  566    HG1  THR  77          1HG       THR  77  -9.390   1.490  -1.625
  567   1HG2  THR  77          1HG2      THR  77 -12.929   1.004  -2.090
  568   2HG2  THR  77          2HG2      THR  77 -12.935   2.560  -2.921
  569   3HG2  THR  77          3HG2      THR  77 -12.356   2.450  -1.259
  570    H    ARG  78           H        ARG  78 -10.258   2.727  -5.387
  571    HA   ARG  78           HA       ARG  78 -12.622   2.637  -7.220
  572   2HB   ARG  78          1HB       ARG  78 -11.864   5.347  -6.771
  573   1HB   ARG  78          2HB       ARG  78 -11.981   4.576  -5.189
  574   2HG   ARG  78          1HG       ARG  78 -14.182   5.317  -5.612
  575   1HG   ARG  78          2HG       ARG  78 -14.227   3.611  -6.059
  576   1HD   ARG  78          1HD       ARG  78 -13.377   5.273  -8.308
  577   2HD   ARG  78          2HD       ARG  78 -14.970   5.760  -7.699
  578    HE   ARG  78           HE       ARG  78 -14.241   3.028  -8.668
  579   1HH1  ARG  78          1HH1      ARG  78 -16.182   2.386  -6.736
  580   2HH1  ARG  78          2HH1      ARG  78 -17.713   2.717  -7.476
  581   1HH2  ARG  78          1HH2      ARG  78 -16.370   4.730  -9.971
  582   2HH2  ARG  78          2HH2      ARG  78 -17.819   4.048  -9.312
  583    H    THR  79           H        THR  79 -12.070   3.028  -9.363
  584    HA   THR  79           HA       THR  79  -9.214   3.192 -10.046
  585    HB   THR  79           HB       THR  79 -11.737   3.135 -11.743
  586    HG1  THR  79          1HG       THR  79 -11.784   1.161 -11.061
  587   1HG2  THR  79          1HG2      THR  79  -8.821   2.651 -12.408
  588   2HG2  THR  79          2HG2      THR  79  -9.854   3.930 -13.044
  589   3HG2  THR  79          3HG2      THR  79 -10.157   2.251 -13.486
  590    H    TYR  80           H        TYR  80  -8.372   5.247  -9.742
  591    HA   TYR  80           HA       TYR  80  -8.046   7.565 -10.030
  592   2HB   TYR  80          1HB       TYR  80  -9.669   7.880 -12.396
  593   1HB   TYR  80          2HB       TYR  80  -8.834   6.328 -12.463
  594    HD1  TYR  80          1HD       TYR  80  -8.437   9.981 -12.382
  595    HE1  TYR  80          1HE       TYR  80  -6.326  11.142 -12.970
  596    HE2  TYR  80          2HE       TYR  80  -4.269   7.371 -13.029
  597    HD2  TYR  80          2HD       TYR  80  -6.379   6.210 -12.443
  598    HH   TYR  80           HH       TYR  80  -3.537  10.210 -12.548

  No H/Q in entry =         598
  Start of MODEL   10
    1    H    GLY   8           H        GLY   8   8.728   6.004 -17.056
    2   2HA   GLY   8          1HA       GLY   8  10.519   6.288 -15.289
    3   1HA   GLY   8          2HA       GLY   8  10.236   4.580 -15.634
    4    H    VAL   9           H        VAL   9   8.950   3.356 -14.136
    5    HA   VAL   9           HA       VAL   9   7.892   4.613 -11.706
    6    HB   VAL   9           HB       VAL   9   6.944   2.626 -12.996
    7   1HG1  VAL   9          1HG1      VAL   9   9.246   1.517 -13.175
    8   2HG1  VAL   9          2HG1      VAL   9   7.910   0.464 -12.713
    9   3HG1  VAL   9          3HG1      VAL   9   9.038   1.045 -11.489
   10   1HG2  VAL   9          1HG2      VAL   9   6.314   3.251 -10.638
   11   2HG2  VAL   9          2HG2      VAL   9   7.526   2.106 -10.065
   12   3HG2  VAL   9          3HG2      VAL   9   6.139   1.532 -10.990
   13    H    PHE  10           H        PHE  10   8.709   4.251  -9.563
   14    HA   PHE  10           HA       PHE  10  11.514   3.197  -9.412
   15   2HB   PHE  10          1HB       PHE  10  10.320   5.826  -8.756
   16   1HB   PHE  10          2HB       PHE  10  11.984   5.423  -9.159
   17    HD1  PHE  10          1HD       PHE  10  13.578   4.689  -7.402
   18    HE1  PHE  10          1HE       PHE  10  14.190   4.874  -5.009
   19    HZ   PHE  10           HZ       PHE  10  12.483   5.524  -3.329
   20    HE2  PHE  10          2HE       PHE  10  10.152   5.992  -4.055
   21    HD2  PHE  10          2HD       PHE  10   9.540   5.810  -6.447
   22    H    VAL  11           H        VAL  11  11.846   1.775  -7.745
   23    HA   VAL  11           HA       VAL  11   9.593   1.296  -5.847
   24    HB   VAL  11           HB       VAL  11  10.322  -0.632  -7.182
   25   1HG1  VAL  11          1HG1      VAL  11  12.940  -1.059  -6.039
   26   2HG1  VAL  11          2HG1      VAL  11  12.898   0.500  -6.858
   27   3HG1  VAL  11          3HG1      VAL  11  12.479  -0.968  -7.738
   28   1HG2  VAL  11          1HG2      VAL  11  10.601  -0.502  -4.258
   29   2HG2  VAL  11          2HG2      VAL  11  11.483  -1.847  -4.978
   30   3HG2  VAL  11          3HG2      VAL  11   9.750  -1.682  -5.256
   31    H    ASP  12           H        ASP  12   9.875   2.351  -3.940
   32    HA   ASP  12           HA       ASP  12  12.073   3.745  -3.052
   33   2HB   ASP  12          1HB       ASP  12  10.159   2.151  -1.334
   34   1HB   ASP  12          2HB       ASP  12   9.775   3.696  -2.091
   35    H    ASP  13           H        ASP  13  14.131   2.946  -3.036
   36    HA   ASP  13           HA       ASP  13  14.853   0.243  -2.417
   37   2HB   ASP  13          1HB       ASP  13  16.664   2.642  -2.227
   38   1HB   ASP  13          2HB       ASP  13  16.023   2.137  -3.792
   39    H    HIS  14           H        HIS  14  14.333   3.139  -0.547
   40    HA   HIS  14           HA       HIS  14  15.831   2.484   1.792
   41   2HB   HIS  14          1HB       HIS  14  13.285   4.096   1.402
   42   1HB   HIS  14          2HB       HIS  14  14.918   4.710   1.176
   43    HD1  HIS  14          1HD       HIS  14  12.709   3.262   3.921
   44    HD2  HIS  14          2HD       HIS  14  16.124   5.618   3.514
   45    HE1  HIS  14          1HE       HIS  14  13.290   4.087   6.243
   46    H    LEU  15           H        LEU  15  12.683   1.451   0.610
   47    HA   LEU  15           HA       LEU  15  11.805   0.278   3.136
   48   1HB   LEU  15          1HB       LEU  15  10.628   1.113   0.800
   49   2HB   LEU  15          2HB       LEU  15   9.836   0.077   1.974
   50    HG   LEU  15           HG       LEU  15  11.513  -1.103  -0.238
   51   1HD1  LEU  15          1HD1      LEU  15   9.029  -2.369   0.770
   52   2HD1  LEU  15          2HD1      LEU  15  10.335  -2.235   1.947
   53   3HD1  LEU  15          3HD1      LEU  15  10.601  -3.092   0.429
   54   1HD2  LEU  15          1HD2      LEU  15   9.467  -1.297  -1.584
   55   2HD2  LEU  15          2HD2      LEU  15   9.839   0.397  -1.272
   56   3HD2  LEU  15          3HD2      LEU  15   8.564  -0.406  -0.358
   57    H    LEU  16           H        LEU  16  13.363  -0.770   0.153
   58    HA   LEU  16           HA       LEU  16  13.398  -3.574   0.574
   59   2HB   LEU  16          1HB       LEU  16  15.670  -3.143  -0.800
   60   1HB   LEU  16          2HB       LEU  16  14.937  -1.546  -0.972
   61    HG   LEU  16           HG       LEU  16  13.287  -4.003  -1.442
   62   1HD1  LEU  16          1HD1      LEU  16  12.464  -2.208  -3.228
   63   2HD1  LEU  16          2HD1      LEU  16  13.235  -1.098  -2.092
   64   3HD1  LEU  16          3HD1      LEU  16  11.934  -2.156  -1.547
   65   1HD2  LEU  16          1HD2      LEU  16  15.128  -2.682  -3.463
   66   2HD2  LEU  16          2HD2      LEU  16  13.934  -3.925  -3.835
   67   3HD2  LEU  16          3HD2      LEU  16  15.318  -4.309  -2.812
   68    H    GLU  17           H        GLU  17  15.787  -1.058   1.444
   69    HA   GLU  17           HA       GLU  17  17.772  -2.653   2.649
   70   1HB   GLU  17          1HB       GLU  17  17.201   0.033   2.303
   71   2HB   GLU  17          2HB       GLU  17  18.610  -0.600   3.145
   72   2HG   GLU  17          1HG       GLU  17  17.424  -0.494   5.280
   73   1HG   GLU  17          2HG       GLU  17  15.956   0.041   4.464
   74    H    LYS  18           H        LYS  18  14.551  -1.936   3.829
   75    HA   LYS  18           HA       LYS  18  15.221  -3.028   6.532
   76   2HB   LYS  18          1HB       LYS  18  12.772  -2.139   6.860
   77   1HB   LYS  18          2HB       LYS  18  13.057  -1.317   5.328
   78   2HG   LYS  18          1HG       LYS  18  15.376  -0.796   6.759
   79   1HG   LYS  18          2HG       LYS  18  14.122  -0.719   7.996
   80   1HD   LYS  18          1HD       LYS  18  13.330   0.611   5.508
   81   2HD   LYS  18          2HD       LYS  18  14.783   1.317   6.218
   82   2HE   LYS  18          1HE       LYS  18  13.275   2.486   7.501
   83   1HE   LYS  18          2HE       LYS  18  13.196   0.985   8.444
   84   1HZ   LYS  18          1HZ       LYS  18  11.407   0.221   7.019
   85   2HZ   LYS  18          2HZ       LYS  18  11.512   1.626   6.069
   86   3HZ   LYS  18          3HZ       LYS  18  10.989   1.725   7.682
   87    H    VAL  19           H        VAL  19  13.408  -3.718   3.586
   88    HA   VAL  19           HA       VAL  19  11.759  -5.820   4.777
   89    HB   VAL  19           HB       VAL  19  11.465  -4.242   2.678
   90   1HG1  VAL  19          1HG1      VAL  19  12.748  -6.701   1.462
   91   2HG1  VAL  19          2HG1      VAL  19  13.472  -5.093   1.516
   92   3HG1  VAL  19          3HG1      VAL  19  12.007  -5.369   0.573
   93   1HG2  VAL  19          1HG2      VAL  19  10.224  -6.485   1.686
   94   2HG2  VAL  19          2HG2      VAL  19   9.575  -5.469   2.975
   95   3HG2  VAL  19          3HG2      VAL  19  10.487  -6.928   3.376
   96    H    LEU  20           H        LEU  20  14.791  -5.692   2.922
   97    HA   LEU  20           HA       LEU  20  15.076  -8.537   2.472
   98   1HB   LEU  20          1HB       LEU  20  17.378  -7.979   1.972
   99   2HB   LEU  20          2HB       LEU  20  17.303  -6.522   2.961
  100    HG   LEU  20           HG       LEU  20  15.411  -5.817   1.322
  101   1HD1  LEU  20          1HD1      LEU  20  17.045  -4.709  -0.083
  102   2HD1  LEU  20          2HD1      LEU  20  18.266  -5.919   0.314
  103   3HD1  LEU  20          3HD1      LEU  20  17.697  -4.799   1.554
  104   1HD2  LEU  20          1HD2      LEU  20  16.497  -8.260   0.087
  105   2HD2  LEU  20          2HD2      LEU  20  16.425  -6.880  -1.009
  106   3HD2  LEU  20          3HD2      LEU  20  14.961  -7.443  -0.202
  107    H    GLU  21           H        GLU  21  15.857  -6.281   5.014
  108    HA   GLU  21           HA       GLU  21  17.321  -7.993   6.770
  109   2HB   GLU  21          1HB       GLU  21  15.883  -6.214   8.350
  110   1HB   GLU  21          2HB       GLU  21  15.937  -5.411   6.782
  111   2HG   GLU  21          1HG       GLU  21  18.359  -5.564   6.727
  112   1HG   GLU  21          2HG       GLU  21  18.370  -6.554   8.187
  113    H    LEU  22           H        LEU  22  13.831  -7.490   6.252
  114    HA   LEU  22           HA       LEU  22  13.037  -9.146   8.544
  115   2HB   LEU  22          1HB       LEU  22  10.845  -8.906   6.915
  116   1HB   LEU  22          2HB       LEU  22  11.813  -7.541   6.365
  117    HG   LEU  22           HG       LEU  22  10.666  -8.071   9.098
  118   1HD1  LEU  22          1HD1      LEU  22  13.025  -7.666   9.541
  119   2HD1  LEU  22          2HD1      LEU  22  12.112  -6.214   9.954
  120   3HD1  LEU  22          3HD1      LEU  22  13.026  -6.281   8.447
  121   1HD2  LEU  22          1HD2      LEU  22  10.867  -5.542   7.442
  122   2HD2  LEU  22          2HD2      LEU  22   9.863  -5.804   8.869
  123   3HD2  LEU  22          3HD2      LEU  22   9.499  -6.654   7.368
  124    H    ASN  23           H        ASN  23  13.728  -9.616   5.139
  125    HA   ASN  23           HA       ASN  23  12.555 -12.325   5.049
  126   2HB   ASN  23          1HB       ASN  23  13.835 -12.199   2.775
  127   1HB   ASN  23          2HB       ASN  23  14.112 -10.511   3.200
  128   1HD2  ASN  23          1HD2      ASN  23  12.467  -9.093   2.570
  129   2HD2  ASN  23          2HD2      ASN  23  10.872  -9.553   2.216
  130    H    ALA  24           H        ALA  24  15.467 -10.896   6.143
  131    HA   ALA  24           HA       ALA  24  17.190 -13.188   5.604
  132   1HB   ALA  24          1HB       ALA  24  17.546 -10.579   7.099
  133   2HB   ALA  24          2HB       ALA  24  18.017 -10.887   5.427
  134   3HB   ALA  24          3HB       ALA  24  18.849 -11.713   6.744
  135    H    LYS  25           H        LYS  25  15.653 -11.571   8.409
  136    HA   LYS  25           HA       LYS  25  16.599 -13.791  10.150
  137   1HB   LYS  25          1HB       LYS  25  16.735 -11.171  10.547
  138   2HB   LYS  25          2HB       LYS  25  16.422 -12.261  11.892
  139   1HG   LYS  25          1HG       LYS  25  14.056 -11.267  10.371
  140   2HG   LYS  25          2HG       LYS  25  14.887 -10.117  11.415
  141   1HD   LYS  25          1HD       LYS  25  14.282 -12.833  12.519
  142   2HD   LYS  25          2HD       LYS  25  12.949 -11.691  12.358
  143   2HE   LYS  25          1HE       LYS  25  13.641 -10.673  14.266
  144   1HE   LYS  25          2HE       LYS  25  15.176 -10.273  13.474
  145   1HZ   LYS  25          1HZ       LYS  25  15.977 -12.497  14.007
  146   2HZ   LYS  25          2HZ       LYS  25  14.501 -12.876  14.758
  147   3HZ   LYS  25          3HZ       LYS  25  15.517 -11.689  15.425
  148    H    GLY  26           H        GLY  26  13.707 -12.440   8.707
  149   2HA   GLY  26          1HA       GLY  26  12.147 -14.714   9.861
  150   1HA   GLY  26          2HA       GLY  26  11.766 -13.894   8.346
  151    H    GLU  27           H        GLU  27  12.300 -11.218   9.619
  152    HA   GLU  27           HA       GLU  27  10.337 -10.939  11.779
  153   2HB   GLU  27          1HB       GLU  27  10.888  -8.419  10.843
  154   1HB   GLU  27          2HB       GLU  27  12.305  -9.311  10.289
  155   2HG   GLU  27          1HG       GLU  27  13.141  -9.238  12.374
  156   1HG   GLU  27          2HG       GLU  27  11.750 -10.154  12.954
  157    H    LYS  28           H        LYS  28   8.198 -10.366  11.553
  158    HA   LYS  28           HA       LYS  28   7.182  -9.831   8.782
  159   2HB   LYS  28          1HB       LYS  28   5.019 -10.698  10.033
  160   1HB   LYS  28          2HB       LYS  28   6.186 -11.344  11.184
  161   2HG   LYS  28          1HG       LYS  28   7.367 -12.449   9.256
  162   1HG   LYS  28          2HG       LYS  28   6.053 -11.917   8.208
  163   2HD   LYS  28          1HD       LYS  28   5.337 -14.061   8.792
  164   1HD   LYS  28          2HD       LYS  28   4.529 -13.080  10.016
  165   1HE   LYS  28          1HE       LYS  28   7.197 -13.745  10.923
  166   2HE   LYS  28          2HE       LYS  28   6.330 -15.224  10.464
  167   1HZ   LYS  28          1HZ       LYS  28   5.259 -13.047  12.197
  168   2HZ   LYS  28          2HZ       LYS  28   5.824 -14.550  12.752
  169   3HZ   LYS  28          3HZ       LYS  28   4.439 -14.470  11.773
  170    H    ARG  29           H        ARG  29   8.048  -7.553   9.747
  171    HA   ARG  29           HA       ARG  29   5.828  -6.241  11.272
  172   2HB   ARG  29          1HB       ARG  29   8.389  -4.829  10.828
  173   1HB   ARG  29          2HB       ARG  29   8.539  -6.347  11.704
  174   2HG   ARG  29          1HG       ARG  29   6.640  -5.531  13.196
  175   1HG   ARG  29          2HG       ARG  29   6.841  -3.952  12.434
  176   2HD   ARG  29          1HD       ARG  29   9.379  -4.276  13.077
  177   1HD   ARG  29          2HD       ARG  29   8.730  -5.439  14.251
  178    HE   ARG  29           HE       ARG  29   7.377  -3.601  15.195
  179   1HH1  ARG  29          1HH1      ARG  29   7.199  -1.792  12.844
  180   2HH1  ARG  29          2HH1      ARG  29   8.331  -0.542  13.240
  181   1HH2  ARG  29          1HH2      ARG  29   9.929  -2.403  15.703
  182   2HH2  ARG  29          2HH2      ARG  29   9.880  -0.888  14.864
  183    H    LEU  30           H        LEU  30   6.665  -3.582  10.465
  184    HA   LEU  30           HA       LEU  30   5.774  -3.603   7.610
  185   1HB   LEU  30          1HB       LEU  30   4.408  -2.714   9.762
  186   2HB   LEU  30          2HB       LEU  30   4.244  -1.971   8.179
  187    HG   LEU  30           HG       LEU  30   6.506  -0.857   9.623
  188   1HD1  LEU  30          1HD1      LEU  30   5.532   0.248   7.708
  189   2HD1  LEU  30          2HD1      LEU  30   5.216   1.253   9.123
  190   3HD1  LEU  30          3HD1      LEU  30   3.935   0.239   8.458
  191   1HD2  LEU  30          1HD2      LEU  30   5.105  -1.465  11.587
  192   2HD2  LEU  30          2HD2      LEU  30   3.764  -0.559  10.885
  193   3HD2  LEU  30          3HD2      LEU  30   5.234   0.282  11.380
  194    H    ILE  31           H        ILE  31   6.640  -1.888   6.258
  195    HA   ILE  31           HA       ILE  31   9.190  -0.648   7.244
  196    HB   ILE  31           HB       ILE  31   8.531  -2.013   4.606
  197   1HG2  ILE  31          1HG2      ILE  31  10.192   0.187   4.924
  198   2HG2  ILE  31          2HG2      ILE  31  10.295  -0.992   3.613
  199   3HG2  ILE  31          3HG2      ILE  31  11.306  -1.176   5.045
  200   2HG1  ILE  31          1HG1      ILE  31   9.561  -2.980   7.046
  201   1HG1  ILE  31          2HG1      ILE  31  10.952  -2.846   5.970
  202   1HD1  ILE  31          1HD1      ILE  31   9.476  -4.022   4.214
  203   2HD1  ILE  31          2HD1      ILE  31   8.410  -4.425   5.559
  204   3HD1  ILE  31          3HD1      ILE  31  10.073  -5.011   5.547
  205    H    LYS  32           H        LYS  32   8.803   1.543   7.264
  206    HA   LYS  32           HA       LYS  32   7.010   2.701   5.158
  207   2HB   LYS  32          1HB       LYS  32   6.228   2.991   7.440
  208   1HB   LYS  32          2HB       LYS  32   6.772   4.556   6.840
  209   2HG   LYS  32          1HG       LYS  32   8.028   4.662   8.721
  210   1HG   LYS  32          2HG       LYS  32   9.080   3.480   7.942
  211   2HD   LYS  32          1HD       LYS  32   7.226   1.794   8.908
  212   1HD   LYS  32          2HD       LYS  32   7.040   3.093  10.088
  213   2HE   LYS  32          1HE       LYS  32   9.041   2.603  11.074
  214   1HE   LYS  32          2HE       LYS  32   9.857   2.427   9.508
  215   1HZ   LYS  32          1HZ       LYS  32   8.800   0.274   9.237
  216   2HZ   LYS  32          2HZ       LYS  32   7.972   0.453  10.711
  217   3HZ   LYS  32          3HZ       LYS  32   9.664   0.297  10.698
  218    H    THR  33           H        THR  33   7.659   4.679   4.107
  219    HA   THR  33           HA       THR  33  10.478   5.568   4.525
  220    HB   THR  33           HB       THR  33  10.383   3.738   2.815
  221    HG1  THR  33          1HG       THR  33  11.944   5.415   2.718
  222   1HG2  THR  33          1HG2      THR  33   9.027   3.823   0.972
  223   2HG2  THR  33          2HG2      THR  33   9.134   5.580   0.848
  224   3HG2  THR  33          3HG2      THR  33   8.042   4.843   2.021
  225    H    TRP  34           H        TRP  34  10.799   7.428   2.602
  226    HA   TRP  34           HA       TRP  34   8.339   9.139   2.586
  227   1HB   TRP  34          1HB       TRP  34   9.710  11.018   3.385
  228   2HB   TRP  34          2HB       TRP  34  11.128   9.974   3.433
  229    HD1  TRP  34           HD       TRP  34   7.887  10.716   5.258
  230    HE3  TRP  34          3HE       TRP  34  12.077   7.882   4.685
  231    HE1  TRP  34          1HE       TRP  34   7.940   9.542   7.558
  232    HZ3  TRP  34          3HZ       TRP  34  12.854   6.389   6.508
  233    HZ2  TRP  34          2HZ       TRP  34   9.552   7.631   8.960
  234    HH2  TRP  34           HH       TRP  34  11.596   6.257   8.641
  235    H    SER  35           H        SER  35   9.550   7.695   0.318
  236    HA   SER  35           HA       SER  35  11.165   9.617  -1.190
  237   2HB   SER  35          1HB       SER  35  10.316   7.777  -3.009
  238   1HB   SER  35          2HB       SER  35  10.056   6.884  -1.513
  239    HG   SER  35           HG       SER  35  12.419   7.793  -2.651
  240    H    ARG  36           H        ARG  36   8.527   8.198  -2.982
  241    HA   ARG  36           HA       ARG  36   6.678  10.430  -2.833
  242   2HB   ARG  36          1HB       ARG  36   8.005  10.373  -5.493
  243   1HB   ARG  36          2HB       ARG  36   8.986  11.009  -4.173
  244   1HG   ARG  36          1HG       ARG  36   6.217  12.007  -4.172
  245   2HG   ARG  36          2HG       ARG  36   7.128  12.458  -5.612
  246   2HD   ARG  36          1HD       ARG  36   7.830  14.183  -4.240
  247   1HD   ARG  36          2HD       ARG  36   8.995  12.963  -3.687
  248    HE   ARG  36           HE       ARG  36   7.338  12.410  -1.872
  249   1HH1  ARG  36          1HH1      ARG  36   8.005  14.668  -0.564
  250   2HH1  ARG  36          2HH1      ARG  36   6.677  15.775  -0.674
  251   1HH2  ARG  36          1HH2      ARG  36   5.182  14.130  -3.346
  252   2HH2  ARG  36          2HH2      ARG  36   5.075  15.469  -2.254
  253    H    ARG  37           H        ARG  37   7.941   8.298  -5.432
  254    HA   ARG  37           HA       ARG  37   5.159   7.265  -5.848
  255   1HB   ARG  37          1HB       ARG  37   6.381   8.408  -7.727
  256   2HB   ARG  37          2HB       ARG  37   5.946   6.742  -8.101
  257   2HG   ARG  37          1HG       ARG  37   8.140   6.003  -8.002
  258   1HG   ARG  37          2HG       ARG  37   8.618   7.251  -6.852
  259   2HD   ARG  37          1HD       ARG  37   9.599   8.164  -8.729
  260   1HD   ARG  37          2HD       ARG  37   7.965   8.802  -8.993
  261    HE   ARG  37           HE       ARG  37   9.205   6.531 -10.422
  262   1HH1  ARG  37          1HH1      ARG  37   6.656   5.363  -9.789
  263   2HH1  ARG  37          2HH1      ARG  37   5.576   6.002 -10.983
  264   1HH2  ARG  37          1HH2      ARG  37   7.686   8.615 -11.873
  265   2HH2  ARG  37          2HH2      ARG  37   6.161   7.848 -12.166
  266    H    SER  38           H        SER  38   6.783   6.350  -3.668
  267    HA   SER  38           HA       SER  38   8.378   4.132  -3.813
  268   2HB   SER  38          1HB       SER  38   6.704   3.458  -1.781
  269   1HB   SER  38          2HB       SER  38   6.204   5.130  -2.047
  270    HG   SER  38           HG       SER  38   8.002   5.805  -1.253
  271    H    THR  39           H        THR  39   8.190   2.351  -5.113
  272    HA   THR  39           HA       THR  39   5.485   1.187  -5.650
  273    HB   THR  39           HB       THR  39   8.176   1.031  -7.045
  274    HG1  THR  39          1HG       THR  39   7.294   2.792  -7.801
  275   1HG2  THR  39          1HG2      THR  39   6.602  -0.131  -8.828
  276   2HG2  THR  39          2HG2      THR  39   5.663  -0.568  -7.400
  277   3HG2  THR  39          3HG2      THR  39   7.345  -1.082  -7.541
  278    H    ILE  40           H        ILE  40   5.360  -1.214  -5.679
  279    HA   ILE  40           HA       ILE  40   6.726  -2.389  -3.347
  280    HB   ILE  40           HB       ILE  40   4.930  -3.815  -5.309
  281   1HG2  ILE  40          1HG2      ILE  40   4.104  -4.770  -3.082
  282   2HG2  ILE  40          2HG2      ILE  40   5.508  -3.997  -2.350
  283   3HG2  ILE  40          3HG2      ILE  40   5.726  -5.238  -3.584
  284   1HG1  ILE  40          1HG1      ILE  40   4.292  -1.413  -3.804
  285   2HG1  ILE  40          2HG1      ILE  40   3.309  -2.775  -3.262
  286   1HD1  ILE  40          1HD1      ILE  40   2.643  -3.239  -5.572
  287   2HD1  ILE  40          2HD1      ILE  40   3.683  -1.942  -6.154
  288   3HD1  ILE  40          3HD1      ILE  40   2.270  -1.565  -5.172
  289    H    VAL  41           H        VAL  41   7.632  -4.640  -3.525
  290    HA   VAL  41           HA       VAL  41   8.948  -5.322  -6.118
  291    HB   VAL  41           HB       VAL  41  10.896  -5.915  -4.253
  292   1HG1  VAL  41          1HG1      VAL  41  11.479  -4.943  -6.329
  293   2HG1  VAL  41          2HG1      VAL  41  11.973  -3.743  -5.135
  294   3HG1  VAL  41          3HG1      VAL  41  10.478  -3.519  -6.045
  295   1HG2  VAL  41          1HG2      VAL  41   9.741  -4.677  -2.472
  296   2HG2  VAL  41          2HG2      VAL  41   9.690  -3.233  -3.483
  297   3HG2  VAL  41          3HG2      VAL  41  11.237  -3.858  -2.914
  298    HA   PRO  42           HA       PRO  42   8.107  -9.454  -5.069
  299   2HB   PRO  42          1HB       PRO  42   9.535 -10.171  -6.723
  300   1HB   PRO  42          2HB       PRO  42  10.492 -10.764  -5.350
  301   1HG   PRO  42          1HG       PRO  42  11.539  -9.103  -7.127
  302   2HG   PRO  42          2HG       PRO  42  11.903  -8.932  -5.399
  303   2HD   PRO  42          1HD       PRO  42  10.049  -7.338  -7.125
  304   1HD   PRO  42          2HD       PRO  42  11.130  -6.798  -5.821
  305    H    GLU  43           H        GLU  43  10.866  -8.072  -3.383
  306    HA   GLU  43           HA       GLU  43  10.962 -10.019  -1.244
  307   2HB   GLU  43          1HB       GLU  43  12.165  -7.815  -0.239
  308   1HB   GLU  43          2HB       GLU  43  12.159  -7.389  -1.949
  309   2HG   GLU  43          1HG       GLU  43  14.200  -8.562  -1.606
  310   1HG   GLU  43          2HG       GLU  43  13.125  -9.731  -2.371
  311    H    MET  44           H        MET  44   8.637  -7.656  -1.977
  312    HA   MET  44           HA       MET  44   8.019  -7.033   0.873
  313   2HB   MET  44          1HB       MET  44   6.246  -5.597  -0.405
  314   1HB   MET  44          2HB       MET  44   7.187  -6.008  -1.838
  315   2HG   MET  44          1HG       MET  44   9.238  -5.205  -0.508
  316   1HG   MET  44          2HG       MET  44   8.089  -4.494   0.619
  317   1HE   MET  44          1HE       MET  44   5.786  -2.839  -0.922
  318   2HE   MET  44          2HE       MET  44   6.852  -1.450  -0.737
  319   3HE   MET  44          3HE       MET  44   6.865  -2.728   0.473
  320    H    VAL  45           H        VAL  45   7.318  -9.525  -1.196
  321    HA   VAL  45           HA       VAL  45   4.511  -9.871  -1.149
  322    HB   VAL  45           HB       VAL  45   6.048 -11.112  -2.565
  323   1HG1  VAL  45          1HG1      VAL  45   7.982 -11.265  -1.110
  324   2HG1  VAL  45          2HG1      VAL  45   7.491 -12.904  -1.540
  325   3HG1  VAL  45          3HG1      VAL  45   7.088 -12.251   0.048
  326   1HG2  VAL  45          1HG2      VAL  45   4.821 -13.037  -2.572
  327   2HG2  VAL  45          2HG2      VAL  45   3.879 -12.209  -1.335
  328   3HG2  VAL  45          3HG2      VAL  45   5.129 -13.362  -0.868
  329    H    GLY  46           H        GLY  46   6.285  -9.641   1.680
  330   2HA   GLY  46          1HA       GLY  46   5.841 -11.647   3.412
  331   1HA   GLY  46          2HA       GLY  46   4.187 -11.095   3.150
  332    H    HIS  47           H        HIS  47   4.951  -8.246   2.867
  333    HA   HIS  47           HA       HIS  47   5.358  -7.674   5.766
  334   1HB   HIS  47          1HB       HIS  47   7.170  -6.159   5.321
  335   2HB   HIS  47          2HB       HIS  47   6.904  -6.259   3.584
  336    HD1  HIS  47          1HD       HIS  47   8.422  -8.136   6.455
  337    HD2  HIS  47          2HD       HIS  47   7.918  -8.610   2.346
  338    HE1  HIS  47          1HE       HIS  47   9.899 -10.077   5.772
  339    H    THR  48           H        THR  48   4.636  -5.542   6.379
  340    HA   THR  48           HA       THR  48   2.596  -4.384   4.564
  341    HB   THR  48           HB       THR  48   2.751  -3.286   7.266
  342    HG1  THR  48          1HG       THR  48   3.317  -5.044   8.250
  343   1HG2  THR  48          1HG2      THR  48   0.576  -5.133   6.405
  344   2HG2  THR  48          2HG2      THR  48   0.805  -3.652   5.476
  345   3HG2  THR  48          3HG2      THR  48   0.469  -3.565   7.204
  346    H    ILE  49           H        ILE  49   4.215  -3.262   3.257
  347    HA   ILE  49           HA       ILE  49   6.020  -1.377   4.650
  348    HB   ILE  49           HB       ILE  49   5.611  -2.175   1.757
  349   1HG2  ILE  49          1HG2      ILE  49   6.593   0.174   2.211
  350   2HG2  ILE  49          2HG2      ILE  49   7.539  -0.910   1.194
  351   3HG2  ILE  49          3HG2      ILE  49   7.983  -0.678   2.885
  352   1HG1  ILE  49          1HG1      ILE  49   7.082  -3.257   4.045
  353   2HG1  ILE  49          2HG1      ILE  49   8.132  -2.954   2.660
  354   1HD1  ILE  49          1HD1      ILE  49   5.724  -4.753   2.852
  355   2HD1  ILE  49          2HD1      ILE  49   7.345  -5.137   2.274
  356   3HD1  ILE  49          3HD1      ILE  49   6.269  -4.149   1.290
  357    H    ALA  50           H        ALA  50   5.311   0.641   5.151
  358    HA   ALA  50           HA       ALA  50   2.995   1.777   3.795
  359   1HB   ALA  50          1HB       ALA  50   3.363   2.120   6.191
  360   2HB   ALA  50          2HB       ALA  50   3.377   3.676   5.350
  361   3HB   ALA  50          3HB       ALA  50   4.897   2.923   5.854
  362    H    VAL  51           H        VAL  51   3.673   1.925   1.681
  363    HA   VAL  51           HA       VAL  51   6.085   3.232   0.801
  364    HB   VAL  51           HB       VAL  51   4.946   3.197  -1.386
  365   1HG1  VAL  51          1HG1      VAL  51   4.779   0.871  -1.598
  366   2HG1  VAL  51          2HG1      VAL  51   4.056   0.681  -0.001
  367   3HG1  VAL  51          3HG1      VAL  51   5.773   1.053  -0.152
  368   1HG2  VAL  51          1HG2      VAL  51   2.570   2.373  -1.489
  369   2HG2  VAL  51          2HG2      VAL  51   2.733   3.970  -0.756
  370   3HG2  VAL  51          3HG2      VAL  51   2.484   2.550   0.262
  371    H    TYR  52           H        TYR  52   6.520   5.419   0.783
  372    HA   TYR  52           HA       TYR  52   4.573   7.320   1.761
  373   2HB   TYR  52          1HB       TYR  52   7.136   7.894   0.240
  374   1HB   TYR  52          2HB       TYR  52   7.128   7.394   1.931
  375    HD1  TYR  52          1HD       TYR  52   7.302  10.185  -0.103
  376    HE1  TYR  52          1HE       TYR  52   6.855  12.519   0.600
  377    HE2  TYR  52          2HE       TYR  52   4.748  11.074   4.054
  378    HD2  TYR  52          2HD       TYR  52   5.198   8.740   3.352
  379    HH   TYR  52           HH       TYR  52   6.254  13.538   3.312
  380    H    ASN  53           H        ASN  53   2.798   7.735   0.498
  381    HA   ASN  53           HA       ASN  53   2.836   7.631  -2.423
  382   2HB   ASN  53          1HB       ASN  53   0.877   8.554  -0.292
  383   1HB   ASN  53          2HB       ASN  53   0.881   7.008  -1.134
  384   1HD2  ASN  53          1HD2      ASN  53  -0.146  10.345  -1.324
  385   2HD2  ASN  53          2HD2      ASN  53  -0.919  10.227  -2.832
  386    H    GLY  54           H        GLY  54   4.471   9.762  -0.705
  387   2HA   GLY  54          1HA       GLY  54   3.716  12.075  -2.424
  388   1HA   GLY  54          2HA       GLY  54   5.321  11.813  -1.730
  389    H    LYS  55           H        LYS  55   2.388  11.244   0.113
  390    HA   LYS  55           HA       LYS  55   3.140  13.473   1.940
  391   2HB   LYS  55          1HB       LYS  55   1.442  14.532   0.745
  392   1HB   LYS  55          2HB       LYS  55   0.516  13.762   2.031
  393   2HG   LYS  55          1HG       LYS  55   0.389  11.746   0.340
  394   1HG   LYS  55          2HG       LYS  55   0.734  12.989  -0.861
  395   2HD   LYS  55          1HD       LYS  55  -1.606  13.024  -0.783
  396   1HD   LYS  55          2HD       LYS  55  -1.186  14.307   0.351
  397   2HE   LYS  55          1HE       LYS  55  -2.756  13.036   1.578
  398   1HE   LYS  55          2HE       LYS  55  -1.216  12.351   2.129
  399   1HZ   LYS  55          1HZ       LYS  55  -2.802  11.334  -0.180
  400   2HZ   LYS  55          2HZ       LYS  55  -2.829  10.647   1.373
  401   3HZ   LYS  55          3HZ       LYS  55  -1.396  10.637   0.462
  402    H    GLN  56           H        GLN  56   1.557  10.360   1.441
  403    HA   GLN  56           HA       GLN  56   1.302  10.058   4.411
  404   2HB   GLN  56          1HB       GLN  56  -0.598   8.436   3.377
  405   1HB   GLN  56          2HB       GLN  56  -0.492   9.638   2.090
  406   2HG   GLN  56          1HG       GLN  56  -2.136  10.408   3.678
  407   1HG   GLN  56          2HG       GLN  56  -0.700  11.419   3.843
  408   1HE2  GLN  56          1HE2      GLN  56  -0.395   8.165   5.129
  409   2HE2  GLN  56          2HE2      GLN  56  -0.552   8.588   6.763
  410    H    HIS  57           H        HIS  57   1.534   7.928   5.255
  411    HA   HIS  57           HA       HIS  57   3.328   6.122   3.751
  412   2HB   HIS  57          1HB       HIS  57   3.402   5.120   6.112
  413   1HB   HIS  57          2HB       HIS  57   2.384   6.455   6.617
  414    HD1  HIS  57          1HD       HIS  57   5.867   5.611   5.619
  415    HD2  HIS  57          2HD       HIS  57   3.663   9.024   6.542
  416    HE1  HIS  57          1HE       HIS  57   7.544   7.462   6.012
  417    H    VAL  58           H        VAL  58   2.273   4.434   2.676
  418    HA   VAL  58           HA       VAL  58  -0.387   3.547   3.745
  419    HB   VAL  58           HB       VAL  58   0.844   3.105   1.001
  420   1HG1  VAL  58          1HG1      VAL  58  -2.090   3.244   1.476
  421   2HG1  VAL  58          2HG1      VAL  58  -1.260   1.823   2.107
  422   3HG1  VAL  58          3HG1      VAL  58  -1.173   2.201   0.387
  423   1HG2  VAL  58          1HG2      VAL  58   0.665   5.476   1.195
  424   2HG2  VAL  58          2HG2      VAL  58  -0.859   5.364   2.077
  425   3HG2  VAL  58          3HG2      VAL  58  -0.804   4.976   0.357
  426    HA   PRO  59           HA       PRO  59   2.597   0.149   4.767
  427   2HB   PRO  59          1HB       PRO  59   2.468   0.673   7.029
  428   1HB   PRO  59          2HB       PRO  59   1.268  -0.636   7.041
  429   1HG   PRO  59          1HG       PRO  59   0.657   1.820   7.874
  430   2HG   PRO  59          2HG       PRO  59  -0.509   0.838   6.971
  431   2HD   PRO  59          1HD       PRO  59   1.136   3.160   6.064
  432   1HD   PRO  59          2HD       PRO  59  -0.518   2.695   5.604
  433    H    VAL  60           H        VAL  60   1.724  -0.802   2.866
  434    HA   VAL  60           HA       VAL  60  -0.798  -2.359   3.138
  435    HB   VAL  60           HB       VAL  60   1.051  -1.865   0.774
  436   1HG1  VAL  60          1HG1      VAL  60  -0.277  -3.848   0.441
  437   2HG1  VAL  60          2HG1      VAL  60  -0.997  -2.547  -0.513
  438   3HG1  VAL  60          3HG1      VAL  60  -1.734  -3.030   1.014
  439   1HG2  VAL  60          1HG2      VAL  60  -0.877  -0.308   0.111
  440   2HG2  VAL  60          2HG2      VAL  60   0.148   0.252   1.433
  441   3HG2  VAL  60          3HG2      VAL  60  -1.433  -0.448   1.779
  442    H    TYR  61           H        TYR  61  -0.651  -4.497   3.706
  443    HA   TYR  61           HA       TYR  61   1.907  -5.878   3.748
  444   2HB   TYR  61          1HB       TYR  61  -0.849  -7.129   3.876
  445   1HB   TYR  61          2HB       TYR  61  -0.141  -6.281   5.255
  446    HD1  TYR  61          1HD       TYR  61   0.867  -8.809   2.653
  447    HE1  TYR  61          1HE       TYR  61   2.240 -10.784   3.164
  448    HE2  TYR  61          2HE       TYR  61   2.486  -9.535   7.275
  449    HD2  TYR  61          2HD       TYR  61   1.107  -7.553   6.754
  450    HH   TYR  61           HH       TYR  61   2.633 -12.117   5.808
  451    H    ILE  62           H        ILE  62   2.760  -6.090   1.713
  452    HA   ILE  62           HA       ILE  62   1.111  -6.663  -0.616
  453    HB   ILE  62           HB       ILE  62   4.105  -6.621  -0.175
  454   1HG2  ILE  62          1HG2      ILE  62   2.705  -6.130  -2.794
  455   2HG2  ILE  62          2HG2      ILE  62   3.075  -7.776  -2.283
  456   3HG2  ILE  62          3HG2      ILE  62   4.377  -6.608  -2.504
  457   1HG1  ILE  62          1HG1      ILE  62   2.087  -4.532  -0.303
  458   2HG1  ILE  62          2HG1      ILE  62   3.277  -4.347  -1.592
  459   1HD1  ILE  62          1HD1      ILE  62   3.813  -3.247   0.686
  460   2HD1  ILE  62          2HD1      ILE  62   5.077  -4.227  -0.055
  461   3HD1  ILE  62          3HD1      ILE  62   4.112  -4.887   1.265
  462    H    THR  63           H        THR  63   0.877  -8.552  -1.672
  463    HA   THR  63           HA       THR  63   1.970 -11.038  -0.429
  464    HB   THR  63           HB       THR  63   0.049 -12.104  -1.544
  465    HG1  THR  63          1HG       THR  63  -0.742  -9.555  -2.456
  466   1HG2  THR  63          1HG2      THR  63  -0.243 -10.854   0.655
  467   2HG2  THR  63          2HG2      THR  63  -1.718 -11.129  -0.273
  468   3HG2  THR  63          3HG2      THR  63  -0.947  -9.543  -0.291
  469    H    GLU  64           H        GLU  64   1.596 -12.632  -2.823
  470    HA   GLU  64           HA       GLU  64   3.951 -11.687  -4.352
  471   2HB   GLU  64          1HB       GLU  64   2.357 -14.219  -4.790
  472   1HB   GLU  64          2HB       GLU  64   3.460 -14.060  -3.423
  473   1HG   GLU  64          1HG       GLU  64   4.379 -13.420  -6.222
  474   2HG   GLU  64          2HG       GLU  64   4.372 -15.084  -5.640
  475    H    ASN  65           H        ASN  65   0.751 -10.907  -4.624
  476    HA   ASN  65           HA       ASN  65   0.881 -10.913  -7.625
  477   2HB   ASN  65          1HB       ASN  65  -0.707 -12.569  -6.883
  478   1HB   ASN  65          2HB       ASN  65  -1.616 -11.205  -7.525
  479   1HD2  ASN  65          1HD2      ASN  65  -2.729  -9.789  -5.950
  480   2HD2  ASN  65          2HD2      ASN  65  -3.027 -10.326  -4.368
  481    H    MET  66           H        MET  66   0.306  -8.962  -4.769
  482    HA   MET  66           HA       MET  66  -1.080  -6.820  -6.256
  483   2HB   MET  66          1HB       MET  66  -0.908  -5.712  -4.024
  484   1HB   MET  66          2HB       MET  66   0.022  -7.095  -3.447
  485   2HG   MET  66          1HG       MET  66  -1.893  -8.576  -4.034
  486   1HG   MET  66          2HG       MET  66  -2.818  -7.156  -4.520
  487   1HE   MET  66          1HE       MET  66  -4.630  -6.624  -3.129
  488   2HE   MET  66          2HE       MET  66  -4.840  -7.183  -1.471
  489   3HE   MET  66          3HE       MET  66  -4.579  -8.353  -2.761
  490    H    VAL  67           H        VAL  67   2.190  -7.741  -5.541
  491    HA   VAL  67           HA       VAL  67   3.424  -5.125  -5.613
  492    HB   VAL  67           HB       VAL  67   4.482  -7.092  -4.611
  493   1HG1  VAL  67          1HG1      VAL  67   4.014  -8.210  -7.354
  494   2HG1  VAL  67          2HG1      VAL  67   3.801  -8.982  -5.782
  495   3HG1  VAL  67          3HG1      VAL  67   5.421  -8.771  -6.448
  496   1HG2  VAL  67          1HG2      VAL  67   6.013  -5.420  -5.480
  497   2HG2  VAL  67          2HG2      VAL  67   5.879  -6.082  -7.106
  498   3HG2  VAL  67          3HG2      VAL  67   6.677  -7.012  -5.840
  499    H    GLY  68           H        GLY  68   4.883  -4.384  -7.378
  500   2HA   GLY  68          1HA       GLY  68   4.026  -5.309 -10.088
  501   1HA   GLY  68          2HA       GLY  68   5.627  -4.669  -9.726
  502    H    HIS  69           H        HIS  69   3.014  -3.010  -8.170
  503    HA   HIS  69           HA       HIS  69   3.148  -0.890 -10.286
  504   2HB   HIS  69          1HB       HIS  69   0.818  -0.389  -9.494
  505   1HB   HIS  69          2HB       HIS  69   0.904  -1.791  -8.438
  506    HD1  HIS  69          1HD       HIS  69  -0.413  -0.940 -11.586
  507    HD2  HIS  69          2HD       HIS  69   1.889  -4.166 -10.275
  508    HE1  HIS  69          1HE       HIS  69  -0.731  -2.788 -13.289
  509    H    LYS  70           H        LYS  70   1.721  -0.748  -7.056
  510    HA   LYS  70           HA       LYS  70   3.790   0.579  -5.657
  511   2HB   LYS  70          1HB       LYS  70   3.731   2.381  -7.192
  512   1HB   LYS  70          2HB       LYS  70   2.745   2.946  -5.846
  513   1HG   LYS  70          1HG       LYS  70   1.328   1.411  -7.947
  514   2HG   LYS  70          2HG       LYS  70   1.907   3.005  -8.418
  515   1HD   LYS  70          1HD       LYS  70   0.691   3.092  -5.786
  516   2HD   LYS  70          2HD       LYS  70  -0.431   2.404  -6.959
  517   2HE   LYS  70          1HE       LYS  70  -0.830   4.727  -7.167
  518   1HE   LYS  70          2HE       LYS  70   0.346   4.436  -8.464
  519   1HZ   LYS  70          1HZ       LYS  70   0.980   6.301  -6.988
  520   2HZ   LYS  70          2HZ       LYS  70   2.123   5.045  -6.967
  521   3HZ   LYS  70          3HZ       LYS  70   1.035   5.230  -5.674
  522    H    LEU  71           H        LEU  71   0.426   0.347  -6.290
  523    HA   LEU  71           HA       LEU  71  -0.436  -0.526  -3.733
  524   1HB   LEU  71          1HB       LEU  71   0.369   1.991  -3.444
  525   2HB   LEU  71          2HB       LEU  71  -1.059   1.410  -2.598
  526    HG   LEU  71           HG       LEU  71  -1.480   2.508  -5.337
  527   1HD1  LEU  71          1HD1      LEU  71  -3.119   3.482  -3.125
  528   2HD1  LEU  71          2HD1      LEU  71  -3.064   1.721  -3.177
  529   3HD1  LEU  71          3HD1      LEU  71  -3.609   2.627  -4.588
  530   1HD2  LEU  71          1HD2      LEU  71  -1.174   4.374  -2.981
  531   2HD2  LEU  71          2HD2      LEU  71  -1.292   4.783  -4.693
  532   3HD2  LEU  71          3HD2      LEU  71   0.175   4.033  -4.064
  533    H    GLY  72           H        GLY  72  -1.136   0.713  -6.917
  534   2HA   GLY  72          1HA       GLY  72  -3.051   0.663  -8.251
  535   1HA   GLY  72          2HA       GLY  72  -4.009   0.734  -6.774
  536    H    GLU  73           H        GLU  73  -1.712  -1.831  -6.884
  537    HA   GLU  73           HA       GLU  73  -3.534  -3.806  -8.116
  538   2HB   GLU  73          1HB       GLU  73  -1.589  -5.304  -7.188
  539   1HB   GLU  73          2HB       GLU  73  -0.788  -3.764  -6.879
  540   2HG   GLU  73          1HG       GLU  73  -0.208  -3.629  -9.037
  541   1HG   GLU  73          2HG       GLU  73  -1.905  -3.674  -9.509
  542    H    PHE  74           H        PHE  74  -2.937  -2.427  -5.048
  543    HA   PHE  74           HA       PHE  74  -4.115  -4.695  -3.531
  544   1HB   PHE  74          1HB       PHE  74  -3.320  -3.476  -1.601
  545   2HB   PHE  74          2HB       PHE  74  -3.104  -2.007  -2.544
  546    HD1  PHE  74          1HD       PHE  74  -1.354  -2.099  -4.496
  547    HE1  PHE  74          1HE       PHE  74   0.986  -2.690  -4.913
  548    HZ   PHE  74           HZ       PHE  74   2.101  -4.408  -3.535
  549    HE2  PHE  74          2HE       PHE  74   0.850  -5.552  -1.736
  550    HD2  PHE  74          2HD       PHE  74  -1.513  -4.960  -1.300
  551    H    ALA  75           H        ALA  75  -4.835  -1.595  -4.936
  552    HA   ALA  75           HA       ALA  75  -7.573  -1.669  -3.720
  553   1HB   ALA  75          1HB       ALA  75  -6.341   0.006  -2.531
  554   2HB   ALA  75          2HB       ALA  75  -7.295   0.890  -3.721
  555   3HB   ALA  75          3HB       ALA  75  -5.579   0.592  -4.011
  556    HA   PRO  76           HA       PRO  76  -7.492  -0.909  -8.354
  557   2HB   PRO  76          1HB       PRO  76  -6.347  -2.801  -9.037
  558   1HB   PRO  76          2HB       PRO  76  -7.983  -3.418  -9.327
  559   1HG   PRO  76          1HG       PRO  76  -6.152  -4.551  -7.624
  560   2HG   PRO  76          2HG       PRO  76  -7.904  -4.773  -7.516
  561   2HD   PRO  76          1HD       PRO  76  -6.133  -3.390  -5.706
  562   1HD   PRO  76          2HD       PRO  76  -7.862  -3.741  -5.514
  563    H    THR  77           H        THR  77  -9.518  -0.405  -6.561
  564    HA   THR  77           HA       THR  77 -11.946  -1.533  -7.924
  565    HB   THR  77           HB       THR  77 -11.567  -0.878  -4.980
  566    HG1  THR  77          1HG       THR  77 -10.565  -2.734  -5.100
  567   1HG2  THR  77          1HG2      THR  77 -13.847  -2.045  -6.586
  568   2HG2  THR  77          2HG2      THR  77 -13.872  -0.631  -5.531
  569   3HG2  THR  77          3HG2      THR  77 -13.725  -2.246  -4.837
  570    H    ARG  78           H        ARG  78 -13.732  -0.042  -8.081
  571    HA   ARG  78           HA       ARG  78 -12.980   2.757  -8.364
  572   2HB   ARG  78          1HB       ARG  78 -15.481   2.917  -8.879
  573   1HB   ARG  78          2HB       ARG  78 -15.568   1.187  -8.547
  574   2HG   ARG  78          1HG       ARG  78 -15.266   1.359 -10.905
  575   1HG   ARG  78          2HG       ARG  78 -13.680   0.923 -10.268
  576   1HD   ARG  78          1HD       ARG  78 -14.042   3.821 -10.288
  577   2HD   ARG  78          2HD       ARG  78 -14.248   3.126 -11.909
  578    HE   ARG  78           HE       ARG  78 -11.811   2.887 -10.206
  579   1HH1  ARG  78          1HH1      ARG  78 -11.933   0.345 -11.541
  580   2HH1  ARG  78          2HH1      ARG  78 -11.252   0.642 -13.106
  581   1HH2  ARG  78          1HH2      ARG  78 -11.622   4.090 -12.905
  582   2HH2  ARG  78          2HH2      ARG  78 -11.075   2.768 -13.880
  583    H    THR  79           H        THR  79 -12.602   3.867  -6.456
  584    HA   THR  79           HA       THR  79 -14.744   3.759  -4.354
  585    HB   THR  79           HB       THR  79 -12.793   4.163  -2.762
  586    HG1  THR  79          1HG       THR  79 -11.071   4.713  -3.846
  587   1HG2  THR  79          1HG2      THR  79 -12.150   1.825  -2.706
  588   2HG2  THR  79          2HG2      THR  79 -12.641   1.610  -4.386
  589   3HG2  THR  79          3HG2      THR  79 -13.854   1.928  -3.147
  590    H    TYR  80           H        TYR  80 -15.460   5.761  -3.639
  591    HA   TYR  80           HA       TYR  80 -13.907   8.204  -4.383
  592   2HB   TYR  80          1HB       TYR  80 -16.873   8.144  -4.807
  593   1HB   TYR  80          2HB       TYR  80 -15.854   7.328  -5.993
  594    HD1  TYR  80          1HD       TYR  80 -16.893  10.545  -4.605
  595    HE1  TYR  80          1HE       TYR  80 -16.339  12.733  -5.632
  596    HE2  TYR  80          2HE       TYR  80 -13.570  10.789  -8.279
  597    HD2  TYR  80          2HD       TYR  80 -14.126   8.600  -7.253
  598    HH   TYR  80           HH       TYR  80 -13.880  13.502  -7.103

  No H/Q in entry =         598
  Start of MODEL   11
    1    H    GLY   8           H        GLY   8  11.504   6.305 -14.857
    2   2HA   GLY   8          1HA       GLY   8   9.255   5.809 -15.524
    3   1HA   GLY   8          2HA       GLY   8   8.781   7.442 -15.053
    4    H    VAL   9           H        VAL   9   9.551   4.212 -13.829
    5    HA   VAL   9           HA       VAL   9   8.067   4.899 -11.309
    6    HB   VAL   9           HB       VAL   9   8.353   2.312 -12.878
    7   1HG1  VAL   9          1HG1      VAL   9   6.872   2.935 -10.305
    8   2HG1  VAL   9          2HG1      VAL   9   8.195   1.787 -10.513
    9   3HG1  VAL   9          3HG1      VAL   9   6.627   1.470 -11.255
   10   1HG2  VAL   9          1HG2      VAL   9   5.841   2.654 -13.116
   11   2HG2  VAL   9          2HG2      VAL   9   6.838   3.814 -13.993
   12   3HG2  VAL   9          3HG2      VAL   9   6.081   4.277 -12.469
   13    H    PHE  10           H        PHE  10   9.229   4.714  -9.438
   14    HA   PHE  10           HA       PHE  10  11.766   3.113  -9.480
   15   2HB   PHE  10          1HB       PHE  10  11.149   5.904  -8.888
   16   1HB   PHE  10          2HB       PHE  10  12.714   5.149  -9.149
   17    HD1  PHE  10          1HD       PHE  10  14.169   4.648  -7.314
   18    HE1  PHE  10          1HE       PHE  10  14.659   4.873  -4.897
   19    HZ   PHE  10           HZ       PHE  10  12.870   5.546  -3.316
   20    HE2  PHE  10          2HE       PHE  10  10.575   5.993  -4.170
   21    HD2  PHE  10          2HD       PHE  10  10.086   5.775  -6.585
   22    H    VAL  11           H        VAL  11  12.282   2.041  -7.474
   23    HA   VAL  11           HA       VAL  11   9.918   1.621  -5.684
   24    HB   VAL  11           HB       VAL  11  10.673  -0.330  -7.028
   25   1HG1  VAL  11          1HG1      VAL  11  12.839  -1.130  -7.055
   26   2HG1  VAL  11          2HG1      VAL  11  13.202  -0.511  -5.444
   27   3HG1  VAL  11          3HG1      VAL  11  13.177   0.585  -6.824
   28   1HG2  VAL  11          1HG2      VAL  11  11.451  -1.671  -4.780
   29   2HG2  VAL  11          2HG2      VAL  11   9.777  -1.264  -5.154
   30   3HG2  VAL  11          3HG2      VAL  11  10.714  -0.233  -4.070
   31    H    ASP  12           H        ASP  12  10.187   2.675  -3.750
   32    HA   ASP  12           HA       ASP  12  12.420   3.995  -2.811
   33   2HB   ASP  12          1HB       ASP  12  10.454   2.469  -1.094
   34   1HB   ASP  12          2HB       ASP  12  10.087   4.000  -1.887
   35    H    ASP  13           H        ASP  13  14.448   3.086  -2.807
   36    HA   ASP  13           HA       ASP  13  15.046   0.373  -2.129
   37   2HB   ASP  13          1HB       ASP  13  16.919   2.731  -1.915
   38   1HB   ASP  13          2HB       ASP  13  16.353   2.165  -3.488
   39    H    HIS  14           H        HIS  14  14.525   3.291  -0.316
   40    HA   HIS  14           HA       HIS  14  15.887   2.620   2.108
   41   2HB   HIS  14          1HB       HIS  14  13.359   4.251   1.923
   42   1HB   HIS  14          2HB       HIS  14  14.830   4.830   1.143
   43    HD1  HIS  14          1HD       HIS  14  13.475   3.888   4.559
   44    HD2  HIS  14          2HD       HIS  14  16.744   5.881   2.909
   45    HE1  HIS  14          1HE       HIS  14  14.711   4.959   6.492
   46    H    LEU  15           H        LEU  15  12.796   1.675   0.749
   47    HA   LEU  15           HA       LEU  15  11.743   0.587   3.262
   48   1HB   LEU  15          1HB       LEU  15  10.729   1.500   0.844
   49   2HB   LEU  15          2HB       LEU  15   9.804   0.631   2.056
   50    HG   LEU  15           HG       LEU  15  11.364  -0.890  -0.019
   51   1HD1  LEU  15          1HD1      LEU  15   9.198  -1.379   1.958
   52   2HD1  LEU  15          2HD1      LEU  15  10.497  -2.443   1.425
   53   3HD1  LEU  15          3HD1      LEU  15   9.065  -2.233   0.420
   54   1HD2  LEU  15          1HD2      LEU  15   8.682   0.471  -0.325
   55   2HD2  LEU  15          2HD2      LEU  15   9.146  -0.923  -1.301
   56   3HD2  LEU  15          3HD2      LEU  15  10.079   0.570  -1.398
   57    H    LEU  16           H        LEU  16  13.280  -0.568   0.284
   58    HA   LEU  16           HA       LEU  16  13.145  -3.375   0.763
   59   2HB   LEU  16          1HB       LEU  16  15.404  -3.109  -0.666
   60   1HB   LEU  16          2HB       LEU  16  14.775  -1.470  -0.857
   61    HG   LEU  16           HG       LEU  16  12.991  -3.845  -1.252
   62   1HD1  LEU  16          1HD1      LEU  16  11.711  -1.940  -1.281
   63   2HD1  LEU  16          2HD1      LEU  16  12.154  -2.013  -2.988
   64   3HD1  LEU  16          3HD1      LEU  16  13.025  -0.937  -1.892
   65   1HD2  LEU  16          1HD2      LEU  16  15.220  -3.838  -2.675
   66   2HD2  LEU  16          2HD2      LEU  16  14.393  -2.568  -3.579
   67   3HD2  LEU  16          3HD2      LEU  16  13.675  -4.177  -3.457
   68    H    GLU  17           H        GLU  17  15.557  -0.903   1.662
   69    HA   GLU  17           HA       GLU  17  17.587  -2.486   2.774
   70   1HB   GLU  17          1HB       GLU  17  16.898   0.190   2.645
   71   2HB   GLU  17          2HB       GLU  17  18.327  -0.443   3.455
   72   2HG   GLU  17          1HG       GLU  17  17.020  -0.633   5.561
   73   1HG   GLU  17          2HG       GLU  17  15.630   0.075   4.739
   74    H    LYS  18           H        LYS  18  14.384  -1.784   4.078
   75    HA   LYS  18           HA       LYS  18  14.990  -3.096   6.669
   76   2HB   LYS  18          1HB       LYS  18  12.359  -2.573   6.743
   77   1HB   LYS  18          2HB       LYS  18  12.794  -1.502   5.411
   78   2HG   LYS  18          1HG       LYS  18  13.621  -0.007   6.877
   79   1HG   LYS  18          2HG       LYS  18  14.759  -1.214   7.478
   80   2HD   LYS  18          1HD       LYS  18  13.417  -1.784   9.261
   81   1HD   LYS  18          2HD       LYS  18  11.925  -1.438   8.387
   82   1HE   LYS  18          1HE       LYS  18  13.700   0.896   8.938
   83   2HE   LYS  18          2HE       LYS  18  12.856   0.191  10.330
   84   1HZ   LYS  18          1HZ       LYS  18  10.791   0.288   9.054
   85   2HZ   LYS  18          2HZ       LYS  18  11.611   0.984   7.739
   86   3HZ   LYS  18          3HZ       LYS  18  11.470   1.836   9.203
   87    H    VAL  19           H        VAL  19  13.297  -3.772   3.623
   88    HA   VAL  19           HA       VAL  19  11.889  -6.132   4.545
   89    HB   VAL  19           HB       VAL  19  12.686  -5.087   1.817
   90   1HG1  VAL  19          1HG1      VAL  19  10.464  -6.699   1.493
   91   2HG1  VAL  19          2HG1      VAL  19  11.425  -7.599   2.673
   92   3HG1  VAL  19          3HG1      VAL  19  12.121  -7.167   1.109
   93   1HG2  VAL  19          1HG2      VAL  19  10.501  -4.611   3.747
   94   2HG2  VAL  19          2HG2      VAL  19   9.973  -4.864   2.082
   95   3HG2  VAL  19          3HG2      VAL  19  11.113  -3.572   2.462
   96    H    LEU  20           H        LEU  20  15.066  -5.642   2.989
   97    HA   LEU  20           HA       LEU  20  15.645  -8.407   2.421
   98   1HB   LEU  20          1HB       LEU  20  17.937  -7.643   2.254
   99   2HB   LEU  20          2HB       LEU  20  17.620  -6.273   3.317
  100    HG   LEU  20           HG       LEU  20  15.911  -5.551   1.529
  101   1HD1  LEU  20          1HD1      LEU  20  18.138  -4.486   2.025
  102   2HD1  LEU  20          2HD1      LEU  20  17.608  -4.302   0.353
  103   3HD1  LEU  20          3HD1      LEU  20  18.837  -5.500   0.760
  104   1HD2  LEU  20          1HD2      LEU  20  15.726  -7.406   0.099
  105   2HD2  LEU  20          2HD2      LEU  20  17.465  -7.704   0.113
  106   3HD2  LEU  20          3HD2      LEU  20  16.812  -6.340  -0.794
  107    H    GLU  21           H        GLU  21  15.974  -6.300   5.187
  108    HA   GLU  21           HA       GLU  21  17.323  -8.086   6.965
  109   2HB   GLU  21          1HB       GLU  21  15.406  -5.774   7.348
  110   1HB   GLU  21          2HB       GLU  21  17.165  -5.711   7.397
  111   2HG   GLU  21          1HG       GLU  21  16.804  -5.826   9.661
  112   1HG   GLU  21          2HG       GLU  21  16.723  -7.555   9.330
  113    H    LEU  22           H        LEU  22  13.839  -7.553   6.255
  114    HA   LEU  22           HA       LEU  22  12.919  -9.442   8.278
  115   2HB   LEU  22          1HB       LEU  22  10.789  -9.161   6.877
  116   1HB   LEU  22          2HB       LEU  22  11.734  -8.072   5.858
  117    HG   LEU  22           HG       LEU  22  12.350  -7.132   8.348
  118   1HD1  LEU  22          1HD1      LEU  22  10.938  -5.275   7.795
  119   2HD1  LEU  22          2HD1      LEU  22   9.895  -6.289   6.795
  120   3HD1  LEU  22          3HD1      LEU  22  11.544  -5.934   6.276
  121   1HD2  LEU  22          1HD2      LEU  22  10.514  -8.867   9.087
  122   2HD2  LEU  22          2HD2      LEU  22   9.394  -7.625   8.528
  123   3HD2  LEU  22          3HD2      LEU  22  10.543  -7.262   9.816
  124    H    ASN  23           H        ASN  23  14.100  -9.710   5.003
  125    HA   ASN  23           HA       ASN  23  12.930 -12.372   4.524
  126   2HB   ASN  23          1HB       ASN  23  14.749 -12.072   2.583
  127   1HB   ASN  23          2HB       ASN  23  14.687 -10.393   3.118
  128   1HD2  ASN  23          1HD2      ASN  23  12.977  -9.153   2.285
  129   2HD2  ASN  23          2HD2      ASN  23  11.603  -9.795   1.524
  130    H    ALA  24           H        ALA  24  15.649 -11.109   6.199
  131    HA   ALA  24           HA       ALA  24  17.392 -13.413   5.808
  132   1HB   ALA  24          1HB       ALA  24  18.848 -12.121   7.316
  133   2HB   ALA  24          2HB       ALA  24  17.505 -11.035   7.679
  134   3HB   ALA  24          3HB       ALA  24  18.196 -11.072   6.056
  135    H    LYS  25           H        LYS  25  15.298 -12.026   8.324
  136    HA   LYS  25           HA       LYS  25  15.823 -14.341  10.115
  137   1HB   LYS  25          1HB       LYS  25  14.713 -12.943  11.772
  138   2HB   LYS  25          2HB       LYS  25  14.133 -11.851  10.515
  139   2HG   LYS  25          1HG       LYS  25  16.555 -11.379   9.951
  140   1HG   LYS  25          2HG       LYS  25  16.998 -12.282  11.401
  141   2HD   LYS  25          1HD       LYS  25  16.023 -10.695  12.829
  142   1HD   LYS  25          2HD       LYS  25  14.980 -10.055  11.560
  143   2HE   LYS  25          1HE       LYS  25  16.980  -9.110  10.417
  144   1HE   LYS  25          2HE       LYS  25  18.000  -9.718  11.735
  145   1HZ   LYS  25          1HZ       LYS  25  15.664  -7.892  12.054
  146   2HZ   LYS  25          2HZ       LYS  25  17.290  -7.405  12.103
  147   3HZ   LYS  25          3HZ       LYS  25  16.675  -8.442  13.300
  148    H    GLY  26           H        GLY  26  13.312 -12.793   8.189
  149   2HA   GLY  26          1HA       GLY  26  11.612 -15.222   8.509
  150   1HA   GLY  26          2HA       GLY  26  11.488 -14.054   7.190
  151    H    GLU  27           H        GLU  27  11.844 -11.878   9.380
  152    HA   GLU  27           HA       GLU  27   9.503 -12.039  11.088
  153   2HB   GLU  27          1HB       GLU  27  10.073  -9.488  11.208
  154   1HB   GLU  27          2HB       GLU  27  11.463  -9.923  10.213
  155   2HG   GLU  27          1HG       GLU  27  12.298 -11.425  11.882
  156   1HG   GLU  27          2HG       GLU  27  10.794 -11.346  12.800
  157    H    LYS  28           H        LYS  28   7.429 -11.237  10.730
  158    HA   LYS  28           HA       LYS  28   6.834 -10.210   7.978
  159   2HB   LYS  28          1HB       LYS  28   4.473 -11.044   8.796
  160   1HB   LYS  28          2HB       LYS  28   5.408 -11.910  10.014
  161   2HG   LYS  28          1HG       LYS  28   6.851 -12.617   7.891
  162   1HG   LYS  28          2HG       LYS  28   5.342 -12.282   7.042
  163   2HD   LYS  28          1HD       LYS  28   5.024 -14.515   7.593
  164   1HD   LYS  28          2HD       LYS  28   4.306 -13.739   9.005
  165   2HE   LYS  28          1HE       LYS  28   6.536 -13.945  10.168
  166   1HE   LYS  28          2HE       LYS  28   7.116 -14.883   8.777
  167   1HZ   LYS  28          1HZ       LYS  28   6.187 -16.321  10.513
  168   2HZ   LYS  28          2HZ       LYS  28   5.258 -16.408   9.092
  169   3HZ   LYS  28          3HZ       LYS  28   4.706 -15.503  10.420
  170    H    ARG  29           H        ARG  29   7.511  -8.031   8.890
  171    HA   ARG  29           HA       ARG  29   5.376  -6.802  10.606
  172   2HB   ARG  29          1HB       ARG  29   7.972  -5.433  10.194
  173   1HB   ARG  29          2HB       ARG  29   8.074  -6.990  11.009
  174   2HG   ARG  29          1HG       ARG  29   6.958  -6.241  12.867
  175   1HG   ARG  29          2HG       ARG  29   5.921  -5.162  11.934
  176   2HD   ARG  29          1HD       ARG  29   8.390  -4.001  11.562
  177   1HD   ARG  29          2HD       ARG  29   8.524  -4.615  13.221
  178    HE   ARG  29           HE       ARG  29   6.416  -2.732  12.237
  179   1HH1  ARG  29          1HH1      ARG  29   8.124  -1.542  14.202
  180   2HH1  ARG  29          2HH1      ARG  29   7.370  -1.900  15.721
  181   1HH2  ARG  29          1HH2      ARG  29   5.394  -4.455  14.435
  182   2HH2  ARG  29          2HH2      ARG  29   5.821  -3.555  15.853
  183    H    LEU  30           H        LEU  30   6.217  -4.113   9.995
  184    HA   LEU  30           HA       LEU  30   5.286  -3.890   7.157
  185   1HB   LEU  30          1HB       LEU  30   4.004  -3.108   9.408
  186   2HB   LEU  30          2HB       LEU  30   3.826  -2.259   7.878
  187    HG   LEU  30           HG       LEU  30   6.167  -1.308   9.314
  188   1HD1  LEU  30          1HD1      LEU  30   4.794  -0.240   7.427
  189   2HD1  LEU  30          2HD1      LEU  30   5.253   0.816   8.762
  190   3HD1  LEU  30          3HD1      LEU  30   3.614   0.172   8.671
  191   1HD2  LEU  30          1HD2      LEU  30   4.591  -2.091  11.211
  192   2HD2  LEU  30          2HD2      LEU  30   3.540  -0.770  10.700
  193   3HD2  LEU  30          3HD2      LEU  30   5.172  -0.426  11.274
  194    H    ILE  31           H        ILE  31   6.041  -1.782   6.104
  195    HA   ILE  31           HA       ILE  31   8.805  -1.032   7.012
  196    HB   ILE  31           HB       ILE  31   7.776  -1.380   4.174
  197   1HG2  ILE  31          1HG2      ILE  31  10.261  -1.335   3.661
  198   2HG2  ILE  31          2HG2      ILE  31  10.520  -0.815   5.327
  199   3HG2  ILE  31          3HG2      ILE  31   9.591   0.198   4.221
  200   1HG1  ILE  31          1HG1      ILE  31   9.166  -3.423   4.132
  201   2HG1  ILE  31          2HG1      ILE  31   7.892  -3.543   5.340
  202   1HD1  ILE  31          1HD1      ILE  31  10.167  -2.348   6.588
  203   2HD1  ILE  31          2HD1      ILE  31  10.715  -3.781   5.719
  204   3HD1  ILE  31          3HD1      ILE  31   9.436  -3.917   6.926
  205    H    LYS  32           H        LYS  32   9.428   1.153   6.375
  206    HA   LYS  32           HA       LYS  32   7.089   2.963   5.861
  207   1HB   LYS  32          1HB       LYS  32   8.303   4.550   7.336
  208   2HB   LYS  32          2HB       LYS  32   9.589   3.360   7.543
  209   1HG   LYS  32          1HG       LYS  32   6.864   2.348   8.075
  210   2HG   LYS  32          2HG       LYS  32   7.417   3.588   9.201
  211   2HD   LYS  32          1HD       LYS  32   9.529   2.249   9.509
  212   1HD   LYS  32          2HD       LYS  32   8.806   0.978   8.520
  213   2HE   LYS  32          1HE       LYS  32   6.798   1.373  10.316
  214   1HE   LYS  32          2HE       LYS  32   8.204   1.766  11.324
  215   1HZ   LYS  32          1HZ       LYS  32   9.216  -0.298  10.752
  216   2HZ   LYS  32          2HZ       LYS  32   8.046  -0.633   9.567
  217   3HZ   LYS  32          3HZ       LYS  32   7.625  -0.662  11.212
  218    H    THR  33           H        THR  33   7.294   4.263   4.083
  219    HA   THR  33           HA       THR  33  10.010   4.535   2.819
  220    HB   THR  33           HB       THR  33   7.203   4.245   1.715
  221    HG1  THR  33          1HG       THR  33   7.873   2.273   1.682
  222   1HG2  THR  33          1HG2      THR  33   9.695   5.284   0.434
  223   2HG2  THR  33          2HG2      THR  33   8.021   5.755   0.166
  224   3HG2  THR  33          3HG2      THR  33   8.633   4.251  -0.518
  225    H    TRP  34           H        TRP  34  10.352   6.621   1.655
  226    HA   TRP  34           HA       TRP  34   8.492   8.839   2.400
  227   2HB   TRP  34          1HB       TRP  34  10.541  10.118   3.164
  228   1HB   TRP  34          2HB       TRP  34  11.439   8.606   3.052
  229    HD1  TRP  34           HD       TRP  34   8.458  10.153   4.923
  230    HE3  TRP  34          3HE       TRP  34  11.939   6.493   4.304
  231    HE1  TRP  34          1HE       TRP  34   8.192   8.914   7.171
  232    HZ3  TRP  34          3HZ       TRP  34  12.329   4.803   6.080
  233    HZ2  TRP  34          2HZ       TRP  34   9.317   6.649   8.523
  234    HH2  TRP  34           HH       TRP  34  11.020   4.876   8.184
  235    H    SER  35           H        SER  35   9.769   7.394  -0.159
  236    HA   SER  35           HA       SER  35  11.178   9.592  -1.487
  237   2HB   SER  35          1HB       SER  35  10.062   7.431  -3.134
  238   1HB   SER  35          2HB       SER  35  10.978   6.848  -1.749
  239    HG   SER  35           HG       SER  35  12.764   7.739  -2.491
  240    H    ARG  36           H        ARG  36   9.869   9.241  -4.103
  241    HA   ARG  36           HA       ARG  36   7.390  10.853  -3.588
  242   2HB   ARG  36          1HB       ARG  36   7.928  11.622  -5.992
  243   1HB   ARG  36          2HB       ARG  36   9.469  10.789  -5.792
  244   1HG   ARG  36          1HG       ARG  36   8.687  12.597  -3.572
  245   2HG   ARG  36          2HG       ARG  36   9.067  13.389  -5.101
  246   2HD   ARG  36          1HD       ARG  36  11.291  12.647  -5.076
  247   1HD   ARG  36          2HD       ARG  36  10.917  11.257  -4.039
  248    HE   ARG  36           HE       ARG  36  11.259  14.067  -3.139
  249   1HH1  ARG  36          1HH1      ARG  36  12.674  11.687  -1.926
  250   2HH1  ARG  36          2HH1      ARG  36  11.786  11.462  -0.456
  251   1HH2  ARG  36          1HH2      ARG  36   9.092  13.406  -1.475
  252   2HH2  ARG  36          2HH2      ARG  36   9.754  12.438  -0.200
  253    H    ARG  37           H        ARG  37   8.703   8.741  -6.190
  254    HA   ARG  37           HA       ARG  37   5.939   7.719  -6.681
  255   1HB   ARG  37          1HB       ARG  37   7.235   8.695  -8.553
  256   2HB   ARG  37          2HB       ARG  37   6.917   6.985  -8.833
  257   2HG   ARG  37          1HG       ARG  37   9.136   6.701  -9.114
  258   1HG   ARG  37          2HG       ARG  37   9.339   7.061  -7.401
  259   2HD   ARG  37          1HD       ARG  37   9.753   9.376  -7.837
  260   1HD   ARG  37          2HD       ARG  37   9.162   9.239  -9.505
  261    HE   ARG  37           HE       ARG  37  11.699   8.015  -8.475
  262   1HH1  ARG  37          1HH1      ARG  37  10.572   6.539 -10.803
  263   2HH1  ARG  37          2HH1      ARG  37  11.298   7.350 -12.149
  264   1HH2  ARG  37          1HH2      ARG  37  12.223  10.145 -10.305
  265   2HH2  ARG  37          2HH2      ARG  37  12.233   9.398 -11.867
  266    H    SER  38           H        SER  38   7.193   6.787  -4.339
  267    HA   SER  38           HA       SER  38   8.744   4.479  -4.366
  268   2HB   SER  38          1HB       SER  38   7.471   4.004  -2.229
  269   1HB   SER  38          2HB       SER  38   6.373   5.318  -2.665
  270    HG   SER  38           HG       SER  38   9.181   5.575  -2.393
  271    H    THR  39           H        THR  39   8.428   2.379  -4.957
  272    HA   THR  39           HA       THR  39   5.662   1.443  -5.631
  273    HB   THR  39           HB       THR  39   8.272   1.117  -7.149
  274    HG1  THR  39          1HG       THR  39   7.426   2.876  -7.948
  275   1HG2  THR  39          1HG2      THR  39   6.625  -0.088  -8.804
  276   2HG2  THR  39          2HG2      THR  39   5.658  -0.365  -7.356
  277   3HG2  THR  39          3HG2      THR  39   7.303  -0.995  -7.453
  278    H    ILE  40           H        ILE  40   5.471  -0.952  -5.538
  279    HA   ILE  40           HA       ILE  40   6.976  -2.047  -3.239
  280    HB   ILE  40           HB       ILE  40   4.750  -3.087  -5.011
  281   1HG2  ILE  40          1HG2      ILE  40   5.788  -4.134  -2.374
  282   2HG2  ILE  40          2HG2      ILE  40   5.967  -4.928  -3.939
  283   3HG2  ILE  40          3HG2      ILE  40   4.367  -4.733  -3.231
  284   1HG1  ILE  40          1HG1      ILE  40   4.890  -1.466  -2.503
  285   2HG1  ILE  40          2HG1      ILE  40   3.587  -2.645  -2.640
  286   1HD1  ILE  40          1HD1      ILE  40   4.108  -0.189  -4.269
  287   2HD1  ILE  40          2HD1      ILE  40   2.586  -0.803  -3.630
  288   3HD1  ILE  40          3HD1      ILE  40   3.316  -1.558  -5.050
  289    H    VAL  41           H        VAL  41   7.746  -4.406  -3.426
  290    HA   VAL  41           HA       VAL  41   8.906  -5.062  -6.118
  291    HB   VAL  41           HB       VAL  41  10.765  -5.854  -4.109
  292   1HG1  VAL  41          1HG1      VAL  41  10.875  -4.880  -6.610
  293   2HG1  VAL  41          2HG1      VAL  41  12.260  -4.810  -5.522
  294   3HG1  VAL  41          3HG1      VAL  41  11.238  -3.390  -5.741
  295   1HG2  VAL  41          1HG2      VAL  41  11.276  -3.896  -2.875
  296   2HG2  VAL  41          2HG2      VAL  41   9.517  -3.972  -2.791
  297   3HG2  VAL  41          3HG2      VAL  41  10.297  -2.869  -3.918
  298    HA   PRO  42           HA       PRO  42   7.896  -9.212  -5.336
  299   2HB   PRO  42          1HB       PRO  42   9.215  -9.835  -7.104
  300   1HB   PRO  42          2HB       PRO  42  10.180 -10.614  -5.838
  301   1HG   PRO  42          1HG       PRO  42  11.245  -8.842  -7.504
  302   2HG   PRO  42          2HG       PRO  42  11.717  -8.903  -5.797
  303   2HD   PRO  42          1HD       PRO  42   9.967  -6.959  -7.221
  304   1HD   PRO  42          2HD       PRO  42  11.085  -6.705  -5.864
  305    H    GLU  43           H        GLU  43  10.891  -8.257  -3.672
  306    HA   GLU  43           HA       GLU  43  10.843 -10.419  -1.757
  307   2HB   GLU  43          1HB       GLU  43  12.886  -9.224  -2.332
  308   1HB   GLU  43          2HB       GLU  43  12.558  -9.002  -0.616
  309   2HG   GLU  43          1HG       GLU  43  12.304  -6.766  -0.854
  310   1HG   GLU  43          2HG       GLU  43  11.282  -6.958  -2.277
  311    H    MET  44           H        MET  44   8.667  -7.926  -2.102
  312    HA   MET  44           HA       MET  44   8.297  -7.293   0.759
  313   2HB   MET  44          1HB       MET  44   6.309  -6.044  -0.409
  314   1HB   MET  44          2HB       MET  44   7.187  -6.441  -1.887
  315   1HG   MET  44          1HG       MET  44   8.326  -5.023   0.519
  316   2HG   MET  44          2HG       MET  44   7.870  -4.248  -0.993
  317   1HE   MET  44          1HE       MET  44  10.932  -3.427  -0.987
  318   2HE   MET  44          2HE       MET  44  11.761  -4.675  -0.064
  319   3HE   MET  44          3HE       MET  44  10.255  -3.994   0.541
  320    H    VAL  45           H        VAL  45   7.384  -9.756  -1.278
  321    HA   VAL  45           HA       VAL  45   4.700 -10.344  -0.991
  322    HB   VAL  45           HB       VAL  45   6.224 -11.577  -2.377
  323   1HG1  VAL  45          1HG1      VAL  45   7.819 -13.234  -1.141
  324   2HG1  VAL  45          2HG1      VAL  45   7.610 -12.150   0.234
  325   3HG1  VAL  45          3HG1      VAL  45   8.294 -11.540  -1.275
  326   1HG2  VAL  45          1HG2      VAL  45   5.334 -13.695  -2.108
  327   2HG2  VAL  45          2HG2      VAL  45   4.240 -12.785  -1.068
  328   3HG2  VAL  45          3HG2      VAL  45   5.576 -13.692  -0.361
  329    H    GLY  46           H        GLY  46   6.510  -9.866   1.823
  330   2HA   GLY  46          1HA       GLY  46   6.215 -11.768   3.670
  331   1HA   GLY  46          2HA       GLY  46   4.516 -11.415   3.362
  332    H    HIS  47           H        HIS  47   5.087  -8.501   2.896
  333    HA   HIS  47           HA       HIS  47   5.237  -7.718   5.765
  334   1HB   HIS  47          1HB       HIS  47   7.074  -6.285   5.482
  335   2HB   HIS  47          2HB       HIS  47   6.845  -6.175   3.743
  336    HD1  HIS  47          1HD       HIS  47   8.389  -8.335   6.394
  337    HD2  HIS  47          2HD       HIS  47   7.993  -8.320   2.244
  338    HE1  HIS  47          1HE       HIS  47   9.969 -10.109   5.515
  339    H    THR  48           H        THR  48   4.350  -5.600   6.172
  340    HA   THR  48           HA       THR  48   2.453  -4.644   4.085
  341    HB   THR  48           HB       THR  48   2.377  -3.493   6.813
  342    HG1  THR  48          1HG       THR  48   2.662  -5.330   7.777
  343   1HG2  THR  48          1HG2      THR  48   0.073  -3.659   6.531
  344   2HG2  THR  48          2HG2      THR  48   0.200  -5.094   5.513
  345   3HG2  THR  48          3HG2      THR  48   0.626  -3.512   4.863
  346    H    ILE  49           H        ILE  49   4.045  -3.499   2.867
  347    HA   ILE  49           HA       ILE  49   5.786  -1.561   4.232
  348    HB   ILE  49           HB       ILE  49   5.327  -2.420   1.370
  349   1HG2  ILE  49          1HG2      ILE  49   7.313  -1.105   0.788
  350   2HG2  ILE  49          2HG2      ILE  49   7.449  -0.535   2.452
  351   3HG2  ILE  49          3HG2      ILE  49   6.077  -0.043   1.460
  352   1HG1  ILE  49          1HG1      ILE  49   6.915  -3.319   3.632
  353   2HG1  ILE  49          2HG1      ILE  49   7.947  -2.923   2.259
  354   1HD1  ILE  49          1HD1      ILE  49   7.301  -5.244   2.069
  355   2HD1  ILE  49          2HD1      ILE  49   6.438  -4.340   0.828
  356   3HD1  ILE  49          3HD1      ILE  49   5.602  -4.835   2.298
  357    H    ALA  50           H        ALA  50   5.080   0.430   4.769
  358    HA   ALA  50           HA       ALA  50   2.721   1.586   3.516
  359   1HB   ALA  50          1HB       ALA  50   4.699   2.756   5.481
  360   2HB   ALA  50          2HB       ALA  50   3.248   1.850   5.916
  361   3HB   ALA  50          3HB       ALA  50   3.101   3.413   5.102
  362    H    VAL  51           H        VAL  51   3.440   1.663   1.355
  363    HA   VAL  51           HA       VAL  51   5.792   3.005   0.431
  364    HB   VAL  51           HB       VAL  51   4.606   3.000  -1.728
  365   1HG1  VAL  51          1HG1      VAL  51   4.362   0.672  -1.946
  366   2HG1  VAL  51          2HG1      VAL  51   3.722   0.492  -0.313
  367   3HG1  VAL  51          3HG1      VAL  51   5.435   0.836  -0.555
  368   1HG2  VAL  51          1HG2      VAL  51   2.179   2.048  -1.613
  369   2HG2  VAL  51          2HG2      VAL  51   2.424   3.759  -1.262
  370   3HG2  VAL  51          3HG2      VAL  51   2.209   2.609   0.058
  371    H    TYR  52           H        TYR  52   6.250   5.170   0.360
  372    HA   TYR  52           HA       TYR  52   4.308   7.103   1.357
  373   2HB   TYR  52          1HB       TYR  52   6.978   7.679   0.050
  374   1HB   TYR  52          2HB       TYR  52   6.875   7.026   1.682
  375    HD1  TYR  52          1HD       TYR  52   6.758   9.983  -0.311
  376    HE1  TYR  52          1HE       TYR  52   6.341  12.257   0.563
  377    HE2  TYR  52          2HE       TYR  52   4.936  10.569   4.256
  378    HD2  TYR  52          2HD       TYR  52   5.364   8.291   3.373
  379    HH   TYR  52           HH       TYR  52   4.426  12.943   3.048
  380    H    ASN  53           H        ASN  53   2.649   7.551  -0.038
  381    HA   ASN  53           HA       ASN  53   2.920   7.574  -2.942
  382   2HB   ASN  53          1HB       ASN  53   0.816   8.427  -0.931
  383   1HB   ASN  53          2HB       ASN  53   0.854   6.941  -1.873
  384   1HD2  ASN  53          1HD2      ASN  53  -0.133  10.284  -1.896
  385   2HD2  ASN  53          2HD2      ASN  53  -0.763  10.297  -3.473
  386    H    GLY  54           H        GLY  54   4.379   9.649  -0.956
  387   2HA   GLY  54          1HA       GLY  54   3.825  12.015  -2.681
  388   1HA   GLY  54          2HA       GLY  54   5.363  11.706  -1.870
  389    H    LYS  55           H        LYS  55   2.345  11.074  -0.220
  390    HA   LYS  55           HA       LYS  55   2.939  13.297   1.667
  391   2HB   LYS  55          1HB       LYS  55   1.271  14.333   0.422
  392   1HB   LYS  55          2HB       LYS  55   0.296  13.486   1.622
  393   2HG   LYS  55          1HG       LYS  55   0.387  11.526  -0.162
  394   1HG   LYS  55          2HG       LYS  55   0.690  12.857  -1.278
  395   2HD   LYS  55          1HD       LYS  55  -1.604  12.918  -1.329
  396   1HD   LYS  55          2HD       LYS  55  -1.372  13.908   0.112
  397   2HE   LYS  55          1HE       LYS  55  -1.638  11.895   1.535
  398   1HE   LYS  55          2HE       LYS  55  -1.871  10.905   0.082
  399   1HZ   LYS  55          1HZ       LYS  55  -3.509  13.273   0.856
  400   2HZ   LYS  55          2HZ       LYS  55  -3.995  11.653   1.019
  401   3HZ   LYS  55          3HZ       LYS  55  -3.744  12.314  -0.525
  402    H    GLN  56           H        GLN  56   1.494  10.130   1.064
  403    HA   GLN  56           HA       GLN  56   1.146   9.796   4.020
  404   2HB   GLN  56          1HB       GLN  56  -0.774   8.229   2.940
  405   1HB   GLN  56          2HB       GLN  56  -0.633   9.451   1.676
  406   2HG   GLN  56          1HG       GLN  56  -2.267  10.246   3.247
  407   1HG   GLN  56          2HG       GLN  56  -0.801  11.200   3.478
  408   1HE2  GLN  56          1HE2      GLN  56  -0.467   7.955   4.676
  409   2HE2  GLN  56          2HE2      GLN  56  -0.723   8.307   6.315
  410    H    HIS  57           H        HIS  57   1.471   7.724   4.874
  411    HA   HIS  57           HA       HIS  57   3.175   5.866   3.330
  412   2HB   HIS  57          1HB       HIS  57   3.246   4.867   5.717
  413   1HB   HIS  57          2HB       HIS  57   2.325   6.274   6.214
  414    HD1  HIS  57          1HD       HIS  57   3.499   8.621   5.970
  415    HD2  HIS  57          2HD       HIS  57   5.980   5.348   5.260
  416    HE1  HIS  57          1HE       HIS  57   5.875   9.486   6.082
  417    H    VAL  58           H        VAL  58   2.016   4.241   2.244
  418    HA   VAL  58           HA       VAL  58  -0.621   3.387   3.393
  419    HB   VAL  58           HB       VAL  58   0.556   2.946   0.624
  420   1HG1  VAL  58          1HG1      VAL  58  -1.431   1.542   1.639
  421   2HG1  VAL  58          2HG1      VAL  58  -1.545   2.161  -0.007
  422   3HG1  VAL  58          3HG1      VAL  58  -2.367   2.999   1.309
  423   1HG2  VAL  58          1HG2      VAL  58  -1.097   4.807   0.010
  424   2HG2  VAL  58          2HG2      VAL  58   0.353   5.319   0.873
  425   3HG2  VAL  58          3HG2      VAL  58  -1.178   5.167   1.735
  426    HA   PRO  59           HA       PRO  59   2.284  -0.050   4.434
  427   2HB   PRO  59          1HB       PRO  59   2.061   0.421   6.694
  428   1HB   PRO  59          2HB       PRO  59   0.851  -0.878   6.630
  429   1HG   PRO  59          1HG       PRO  59   0.215   1.561   7.481
  430   2HG   PRO  59          2HG       PRO  59  -0.909   0.616   6.489
  431   2HD   PRO  59          1HD       PRO  59   0.843   2.915   5.718
  432   1HD   PRO  59          2HD       PRO  59  -0.807   2.527   5.188
  433    H    VAL  60           H        VAL  60   1.661  -1.142   2.613
  434    HA   VAL  60           HA       VAL  60  -0.900  -2.679   2.665
  435    HB   VAL  60           HB       VAL  60  -0.291  -2.975   0.217
  436   1HG1  VAL  60          1HG1      VAL  60  -0.750  -0.504  -0.304
  437   2HG1  VAL  60          2HG1      VAL  60  -0.717  -0.248   1.439
  438   3HG1  VAL  60          3HG1      VAL  60  -1.921  -1.322   0.729
  439   1HG2  VAL  60          1HG2      VAL  60   1.725  -0.788   0.754
  440   2HG2  VAL  60          2HG2      VAL  60   1.449  -1.660  -0.753
  441   3HG2  VAL  60          3HG2      VAL  60   2.176  -2.490   0.622
  442    H    TYR  61           H        TYR  61  -0.783  -4.862   3.101
  443    HA   TYR  61           HA       TYR  61   1.785  -6.223   3.331
  444   2HB   TYR  61          1HB       TYR  61  -0.845  -7.661   3.040
  445   1HB   TYR  61          2HB       TYR  61  -0.597  -6.640   4.459
  446    HD1  TYR  61          1HD       TYR  61   0.529  -7.518   6.316
  447    HE1  TYR  61          1HE       TYR  61   1.915  -9.291   7.350
  448    HE2  TYR  61          2HE       TYR  61   2.498 -11.088   3.490
  449    HD2  TYR  61          2HD       TYR  61   1.117  -9.312   2.458
  450    HH   TYR  61           HH       TYR  61   3.929 -10.917   6.271
  451    H    ILE  62           H        ILE  62   2.861  -6.337   1.399
  452    HA   ILE  62           HA       ILE  62   1.786  -6.373  -1.187
  453    HB   ILE  62           HB       ILE  62   4.352  -7.191   0.096
  454   1HG2  ILE  62          1HG2      ILE  62   5.205  -7.338  -2.371
  455   2HG2  ILE  62          2HG2      ILE  62   3.525  -7.716  -2.751
  456   3HG2  ILE  62          3HG2      ILE  62   4.437  -8.753  -1.657
  457   1HG1  ILE  62          1HG1      ILE  62   3.387  -5.036  -1.772
  458   2HG1  ILE  62          2HG1      ILE  62   5.101  -5.360  -1.537
  459   1HD1  ILE  62          1HD1      ILE  62   4.326  -5.241   1.041
  460   2HD1  ILE  62          2HD1      ILE  62   3.141  -4.151   0.318
  461   3HD1  ILE  62          3HD1      ILE  62   4.862  -3.828   0.129
  462    H    THR  63           H        THR  63   3.065  -9.272   0.498
  463    HA   THR  63           HA       THR  63   2.506 -11.552   0.221
  464    HB   THR  63           HB       THR  63   0.072 -10.629  -1.319
  465    HG1  THR  63          1HG       THR  63  -0.447  -9.458   0.328
  466   1HG2  THR  63          1HG2      THR  63  -0.014 -12.935  -1.137
  467   2HG2  THR  63          2HG2      THR  63  -0.839 -12.475   0.352
  468   3HG2  THR  63          3HG2      THR  63   0.859 -12.950   0.395
  469    H    GLU  64           H        GLU  64   1.925 -13.096  -1.828
  470    HA   GLU  64           HA       GLU  64   3.787 -12.235  -3.948
  471   2HB   GLU  64          1HB       GLU  64   3.965 -14.497  -3.129
  472   1HB   GLU  64          2HB       GLU  64   3.312 -14.596  -4.762
  473   2HG   GLU  64          1HG       GLU  64   1.599 -15.793  -3.932
  474   1HG   GLU  64          2HG       GLU  64   1.062 -14.339  -3.092
  475    H    ASN  65           H        ASN  65   1.518 -10.566  -4.098
  476    HA   ASN  65           HA       ASN  65   0.601 -11.113  -6.800
  477   1HB   ASN  65          1HB       ASN  65  -0.602 -12.771  -5.321
  478   2HB   ASN  65          2HB       ASN  65  -1.658 -11.756  -6.308
  479   1HD2  ASN  65          1HD2      ASN  65  -3.085 -10.296  -5.206
  480   2HD2  ASN  65          2HD2      ASN  65  -3.186 -10.203  -3.514
  481    H    MET  66           H        MET  66   0.770  -8.913  -4.098
  482    HA   MET  66           HA       MET  66  -1.122  -7.008  -5.406
  483   1HB   MET  66          1HB       MET  66  -0.915  -5.815  -3.284
  484   2HB   MET  66          2HB       MET  66   0.354  -6.924  -2.768
  485   2HG   MET  66          1HG       MET  66  -1.150  -8.738  -2.593
  486   1HG   MET  66          2HG       MET  66  -2.358  -7.946  -3.605
  487   1HE   MET  66          1HE       MET  66  -3.541  -8.463   0.234
  488   2HE   MET  66          2HE       MET  66  -2.361  -9.395  -0.684
  489   3HE   MET  66          3HE       MET  66  -3.899  -8.958  -1.425
  490    H    VAL  67           H        VAL  67   2.306  -7.532  -4.913
  491    HA   VAL  67           HA       VAL  67   3.264  -4.844  -5.308
  492    HB   VAL  67           HB       VAL  67   4.670  -6.536  -4.334
  493   1HG1  VAL  67          1HG1      VAL  67   5.420  -8.411  -6.093
  494   2HG1  VAL  67          2HG1      VAL  67   3.809  -8.094  -6.739
  495   3HG1  VAL  67          3HG1      VAL  67   4.001  -8.627  -5.068
  496   1HG2  VAL  67          1HG2      VAL  67   6.639  -6.490  -5.847
  497   2HG2  VAL  67          2HG2      VAL  67   5.859  -4.913  -5.759
  498   3HG2  VAL  67          3HG2      VAL  67   5.605  -5.945  -7.163
  499    H    GLY  68           H        GLY  68   4.508  -4.077  -7.204
  500   2HA   GLY  68          1HA       GLY  68   3.454  -5.124  -9.800
  501   1HA   GLY  68          2HA       GLY  68   5.107  -4.552  -9.591
  502    H    HIS  69           H        HIS  69   2.882  -2.572  -7.878
  503    HA   HIS  69           HA       HIS  69   2.910  -0.652 -10.176
  504   2HB   HIS  69          1HB       HIS  69   0.697   0.067  -9.241
  505   1HB   HIS  69          2HB       HIS  69   0.789  -1.245  -8.078
  506    HD1  HIS  69          1HD       HIS  69  -0.755  -0.567 -11.161
  507    HD2  HIS  69          2HD       HIS  69   1.448  -3.832  -9.772
  508    HE1  HIS  69          1HE       HIS  69  -1.348  -2.522 -12.658
  509    H    LYS  70           H        LYS  70   1.768  -0.147  -6.881
  510    HA   LYS  70           HA       LYS  70   4.039   1.120  -5.759
  511   2HB   LYS  70          1HB       LYS  70   3.994   2.817  -7.380
  512   1HB   LYS  70          2HB       LYS  70   3.081   3.535  -6.057
  513   1HG   LYS  70          1HG       LYS  70   1.529   1.912  -7.995
  514   2HG   LYS  70          2HG       LYS  70   2.161   3.440  -8.593
  515   2HD   LYS  70          1HD       LYS  70   1.179   4.263  -6.214
  516   1HD   LYS  70          2HD       LYS  70   0.085   2.914  -6.528
  517   2HE   LYS  70          1HE       LYS  70  -0.074   4.010  -8.939
  518   1HE   LYS  70          2HE       LYS  70   0.447   5.469  -8.075
  519   1HZ   LYS  70          1HZ       LYS  70  -1.341   5.190  -6.522
  520   2HZ   LYS  70          2HZ       LYS  70  -1.777   3.691  -7.196
  521   3HZ   LYS  70          3HZ       LYS  70  -2.005   5.124  -8.080
  522    H    LEU  71           H        LEU  71   0.620   0.972  -6.037
  523    HA   LEU  71           HA       LEU  71  -0.018   0.413  -3.348
  524   1HB   LEU  71          1HB       LEU  71   0.938   2.859  -3.279
  525   2HB   LEU  71          2HB       LEU  71  -0.509   2.483  -2.356
  526    HG   LEU  71           HG       LEU  71  -0.975   3.351  -5.155
  527   1HD1  LEU  71          1HD1      LEU  71  -2.639   4.812  -3.757
  528   2HD1  LEU  71          2HD1      LEU  71  -2.188   3.743  -2.428
  529   3HD1  LEU  71          3HD1      LEU  71  -2.928   3.077  -3.884
  530   1HD2  LEU  71          1HD2      LEU  71  -0.577   5.700  -4.688
  531   2HD2  LEU  71          2HD2      LEU  71   0.916   4.816  -4.370
  532   3HD2  LEU  71          3HD2      LEU  71  -0.107   5.332  -3.029
  533    H    GLY  72           H        GLY  72  -0.972   1.447  -6.541
  534   2HA   GLY  72          1HA       GLY  72  -3.018   1.431  -7.665
  535   1HA   GLY  72          2HA       GLY  72  -3.816   1.623  -6.106
  536    H    GLU  73           H        GLU  73  -1.637  -1.045  -6.360
  537    HA   GLU  73           HA       GLU  73  -3.683  -2.985  -7.246
  538   2HB   GLU  73          1HB       GLU  73  -1.656  -4.514  -6.483
  539   1HB   GLU  73          2HB       GLU  73  -0.780  -2.982  -6.462
  540   2HG   GLU  73          1HG       GLU  73  -0.506  -3.960  -8.649
  541   1HG   GLU  73          2HG       GLU  73  -1.596  -2.582  -8.814
  542    H    PHE  74           H        PHE  74  -2.493  -1.585  -4.333
  543    HA   PHE  74           HA       PHE  74  -3.630  -3.730  -2.613
  544   1HB   PHE  74          1HB       PHE  74  -2.358  -2.660  -0.878
  545   2HB   PHE  74          2HB       PHE  74  -2.191  -1.182  -1.822
  546    HD1  PHE  74          1HD       PHE  74  -0.922  -4.575  -1.276
  547    HE1  PHE  74          1HE       PHE  74   1.210  -5.393  -2.210
  548    HZ   PHE  74           HZ       PHE  74   2.394  -4.100  -3.931
  549    HE2  PHE  74          2HE       PHE  74   1.450  -1.954  -4.739
  550    HD2  PHE  74          2HD       PHE  74  -0.675  -1.115  -3.800
  551    H    ALA  75           H        ALA  75  -4.333  -0.591  -3.925
  552    HA   ALA  75           HA       ALA  75  -6.773  -0.424  -2.196
  553   1HB   ALA  75          1HB       ALA  75  -5.122   1.132  -1.337
  554   2HB   ALA  75          2HB       ALA  75  -6.335   2.070  -2.210
  555   3HB   ALA  75          3HB       ALA  75  -4.775   1.728  -2.961
  556    HA   PRO  76           HA       PRO  76  -7.539   0.308  -6.771
  557   2HB   PRO  76          1HB       PRO  76  -6.659  -1.651  -7.637
  558   1HB   PRO  76          2HB       PRO  76  -8.355  -2.167  -7.600
  559   1HG   PRO  76          1HG       PRO  76  -6.300  -3.407  -6.265
  560   2HG   PRO  76          2HG       PRO  76  -8.008  -3.525  -5.824
  561   2HD   PRO  76          1HD       PRO  76  -5.849  -2.254  -4.398
  562   1HD   PRO  76          2HD       PRO  76  -7.529  -2.493  -3.880
  563    H    THR  77           H        THR  77  -9.146   0.950  -4.642
  564    HA   THR  77           HA       THR  77 -11.650  -0.383  -4.391
  565    HB   THR  77           HB       THR  77 -11.025   2.578  -4.165
  566    HG1  THR  77          1HG       THR  77  -9.783   1.952  -2.612
  567   1HG2  THR  77          1HG2      THR  77 -13.395   2.209  -4.024
  568   2HG2  THR  77          2HG2      THR  77 -12.810   2.426  -2.374
  569   3HG2  THR  77          3HG2      THR  77 -13.172   0.807  -2.976
  570    H    ARG  78           H        ARG  78 -10.768   2.391  -6.469
  571    HA   ARG  78           HA       ARG  78 -13.354   2.223  -7.890
  572   1HB   ARG  78          1HB       ARG  78 -12.229   4.374  -7.228
  573   2HB   ARG  78          2HB       ARG  78 -12.584   4.274  -8.951
  574   2HG   ARG  78          1HG       ARG  78 -10.309   3.820  -9.497
  575   1HG   ARG  78          2HG       ARG  78  -9.896   3.468  -7.818
  576   1HD   ARG  78          1HD       ARG  78 -11.035   6.163  -8.213
  577   2HD   ARG  78          2HD       ARG  78  -9.486   5.904  -9.039
  578    HE   ARG  78           HE       ARG  78  -8.465   5.526  -6.899
  579   1HH1  ARG  78          1HH1      ARG  78 -10.681   7.625  -6.225
  580   2HH1  ARG  78          2HH1      ARG  78 -11.264   6.971  -4.731
  581   1HH2  ARG  78          1HH2      ARG  78  -9.732   3.883  -5.177
  582   2HH2  ARG  78          2HH2      ARG  78 -10.725   4.848  -4.136
  583    H    THR  79           H        THR  79 -13.620   1.092  -9.771
  584    HA   THR  79           HA       THR  79 -11.250   0.496 -11.483
  585    HB   THR  79           HB       THR  79 -13.223  -1.591 -10.493
  586    HG1  THR  79          1HG       THR  79 -10.556  -1.057  -9.679
  587   1HG2  THR  79          1HG2      THR  79 -11.880  -3.177 -11.597
  588   2HG2  THR  79          2HG2      THR  79 -10.518  -2.064 -11.732
  589   3HG2  THR  79          3HG2      THR  79 -11.948  -1.835 -12.739
  590    H    TYR  80           H        TYR  80 -14.773  -0.176 -11.168
  591    HA   TYR  80           HA       TYR  80 -15.070   0.537 -14.072
  592   2HB   TYR  80          1HB       TYR  80 -17.115  -1.021 -13.810
  593   1HB   TYR  80          2HB       TYR  80 -16.400  -1.497 -12.270
  594    HD1  TYR  80          1HD       TYR  80 -14.614  -3.053 -12.188
  595    HE1  TYR  80          1HE       TYR  80 -13.091  -4.606 -13.378
  596    HE2  TYR  80          2HE       TYR  80 -14.191  -2.814 -17.124
  597    HD2  TYR  80          2HD       TYR  80 -15.714  -1.261 -15.934
  598    HH   TYR  80           HH       TYR  80 -13.186  -5.473 -16.196

  No H/Q in entry =         598
  Start of MODEL   12
    1    H    GLY   8           H        GLY   8   9.733   5.031 -15.253
    2   2HA   GLY   8          1HA       GLY   8   6.804   5.124 -14.848
    3   1HA   GLY   8          2HA       GLY   8   7.879   6.520 -14.947
    4    H    VAL   9           H        VAL   9   6.826   3.865 -12.841
    5    HA   VAL   9           HA       VAL   9   7.092   5.572 -10.476
    6    HB   VAL   9           HB       VAL   9   6.130   3.575  -9.356
    7   1HG1  VAL   9          1HG1      VAL   9   4.005   3.604 -10.486
    8   2HG1  VAL   9          2HG1      VAL   9   4.761   4.085 -12.006
    9   3HG1  VAL   9          3HG1      VAL   9   4.712   5.212 -10.650
   10   1HG2  VAL   9          1HG2      VAL   9   5.530   1.938 -11.605
   11   2HG2  VAL   9          2HG2      VAL   9   6.517   1.524 -10.205
   12   3HG2  VAL   9          3HG2      VAL   9   7.268   2.235 -11.633
   13    H    PHE  10           H        PHE  10   8.509   5.176  -8.696
   14    HA   PHE  10           HA       PHE  10  10.928   3.544  -9.362
   15   1HB   PHE  10          1HB       PHE  10  10.506   6.247  -8.623
   16   2HB   PHE  10          2HB       PHE  10  12.047   5.429  -8.819
   17    HD1  PHE  10          1HD       PHE  10   9.378   6.234  -6.359
   18    HE1  PHE  10          1HE       PHE  10   9.801   6.461  -3.930
   19    HZ   PHE  10           HZ       PHE  10  12.036   5.898  -2.997
   20    HE2  PHE  10          2HE       PHE  10  13.838   5.111  -4.509
   21    HD2  PHE  10          2HD       PHE  10  13.417   4.879  -6.935
   22    H    VAL  11           H        VAL  11  11.832   2.230  -7.665
   23    HA   VAL  11           HA       VAL  11   9.845   1.418  -5.592
   24    HB   VAL  11           HB       VAL  11  12.367   0.134  -6.708
   25   1HG1  VAL  11          1HG1      VAL  11  12.147  -1.587  -5.204
   26   2HG1  VAL  11          2HG1      VAL  11  10.395  -1.413  -5.098
   27   3HG1  VAL  11          3HG1      VAL  11  11.447  -0.310  -4.211
   28   1HG2  VAL  11          1HG2      VAL  11  10.899  -1.338  -7.887
   29   2HG2  VAL  11          2HG2      VAL  11  10.251   0.280  -8.156
   30   3HG2  VAL  11          3HG2      VAL  11   9.495  -0.787  -6.974
   31    H    ASP  12           H        ASP  12  10.160   2.596  -3.725
   32    HA   ASP  12           HA       ASP  12  12.378   4.047  -2.933
   33   2HB   ASP  12          1HB       ASP  12  10.497   2.459  -1.166
   34   1HB   ASP  12          2HB       ASP  12  10.136   4.035  -1.870
   35    H    ASP  13           H        ASP  13  14.448   3.330  -2.849
   36    HA   ASP  13           HA       ASP  13  15.250   0.634  -2.321
   37   2HB   ASP  13          1HB       ASP  13  16.913   3.132  -1.985
   38   1HB   ASP  13          2HB       ASP  13  16.407   2.578  -3.585
   39    H    HIS  14           H        HIS  14  14.538   3.412  -0.356
   40    HA   HIS  14           HA       HIS  14  15.979   2.742   2.013
   41   2HB   HIS  14          1HB       HIS  14  13.420   4.120   2.374
   42   1HB   HIS  14          2HB       HIS  14  14.336   4.765   1.011
   43    HD1  HIS  14          1HD       HIS  14  17.114   4.939   1.787
   44    HD2  HIS  14          2HD       HIS  14  14.146   5.454   4.669
   45    HE1  HIS  14          1HE       HIS  14  18.192   6.182   3.712
   46    H    LEU  15           H        LEU  15  12.905   1.629   0.710
   47    HA   LEU  15           HA       LEU  15  11.996   0.374   3.190
   48   1HB   LEU  15          1HB       LEU  15  10.780   1.253   0.967
   49   2HB   LEU  15          2HB       LEU  15  10.089  -0.045   1.929
   50    HG   LEU  15           HG       LEU  15  12.002  -0.686  -0.296
   51   1HD1  LEU  15          1HD1      LEU  15   9.756  -2.436  -0.053
   52   2HD1  LEU  15          2HD1      LEU  15  10.402  -2.143   1.561
   53   3HD1  LEU  15          3HD1      LEU  15  11.449  -2.781   0.294
   54   1HD2  LEU  15          1HD2      LEU  15   9.086   0.058  -0.529
   55   2HD2  LEU  15          2HD2      LEU  15   9.884  -0.970  -1.718
   56   3HD2  LEU  15          3HD2      LEU  15  10.446   0.680  -1.462
   57    H    LEU  16           H        LEU  16  13.659  -0.561   0.232
   58    HA   LEU  16           HA       LEU  16  13.749  -3.372   0.582
   59   2HB   LEU  16          1HB       LEU  16  16.032  -2.854  -0.748
   60   1HB   LEU  16          2HB       LEU  16  15.249  -1.278  -0.903
   61    HG   LEU  16           HG       LEU  16  13.677  -3.775  -1.422
   62   1HD1  LEU  16          1HD1      LEU  16  13.520  -0.869  -1.944
   63   2HD1  LEU  16          2HD1      LEU  16  12.239  -2.025  -1.583
   64   3HD1  LEU  16          3HD1      LEU  16  12.895  -1.918  -3.218
   65   1HD2  LEU  16          1HD2      LEU  16  15.950  -3.665  -2.730
   66   2HD2  LEU  16          2HD2      LEU  16  15.155  -2.383  -3.644
   67   3HD2  LEU  16          3HD2      LEU  16  14.465  -4.006  -3.619
   68    H    GLU  17           H        GLU  17  16.002  -0.808   1.621
   69    HA   GLU  17           HA       GLU  17  18.029  -2.398   2.789
   70   1HB   GLU  17          1HB       GLU  17  17.400   0.280   2.526
   71   2HB   GLU  17          2HB       GLU  17  18.799  -0.344   3.393
   72   2HG   GLU  17          1HG       GLU  17  17.560  -0.331   5.491
   73   1HG   GLU  17          2HG       GLU  17  16.089   0.160   4.653
   74    H    LYS  18           H        LYS  18  14.780  -1.750   3.936
   75    HA   LYS  18           HA       LYS  18  15.387  -2.976   6.593
   76   2HB   LYS  18          1HB       LYS  18  12.791  -2.204   6.692
   77   1HB   LYS  18          2HB       LYS  18  13.367  -1.131   5.417
   78   2HG   LYS  18          1HG       LYS  18  15.359  -0.701   7.090
   79   1HG   LYS  18          2HG       LYS  18  14.212  -1.288   8.295
   80   2HD   LYS  18          1HD       LYS  18  13.430   0.839   8.346
   81   1HD   LYS  18          2HD       LYS  18  12.686   0.469   6.790
   82   2HE   LYS  18          1HE       LYS  18  15.046   1.130   5.818
   83   1HE   LYS  18          2HE       LYS  18  15.231   1.975   7.367
   84   1HZ   LYS  18          1HZ       LYS  18  12.913   2.233   5.511
   85   2HZ   LYS  18          2HZ       LYS  18  14.156   3.377   5.683
   86   3HZ   LYS  18          3HZ       LYS  18  13.105   3.059   6.979
   87    H    VAL  19           H        VAL  19  13.571  -3.505   3.592
   88    HA   VAL  19           HA       VAL  19  11.990  -5.731   4.600
   89    HB   VAL  19           HB       VAL  19  11.698  -4.076   2.583
   90   1HG1  VAL  19          1HG1      VAL  19  13.086  -6.385   1.208
   91   2HG1  VAL  19          2HG1      VAL  19  13.859  -4.831   1.523
   92   3HG1  VAL  19          3HG1      VAL  19  12.455  -4.919   0.457
   93   1HG2  VAL  19          1HG2      VAL  19  10.676  -6.353   1.394
   94   2HG2  VAL  19          2HG2      VAL  19   9.873  -5.424   2.659
   95   3HG2  VAL  19          3HG2      VAL  19  10.842  -6.837   3.084
   96    H    LEU  20           H        LEU  20  15.079  -5.461   2.856
   97    HA   LEU  20           HA       LEU  20  15.377  -8.247   2.230
   98   1HB   LEU  20          1HB       LEU  20  16.701  -6.335   1.266
   99   2HB   LEU  20          2HB       LEU  20  17.714  -7.650   1.850
  100    HG   LEU  20           HG       LEU  20  17.073  -5.463   3.779
  101   1HD1  LEU  20          1HD1      LEU  20  19.811  -6.528   3.284
  102   2HD1  LEU  20          2HD1      LEU  20  18.625  -7.668   3.918
  103   3HD1  LEU  20          3HD1      LEU  20  18.994  -6.194   4.811
  104   1HD2  LEU  20          1HD2      LEU  20  18.771  -3.999   2.882
  105   2HD2  LEU  20          2HD2      LEU  20  17.634  -4.353   1.579
  106   3HD2  LEU  20          3HD2      LEU  20  19.196  -5.172   1.635
  107    H    GLU  21           H        GLU  21  15.859  -6.317   5.105
  108    HA   GLU  21           HA       GLU  21  17.343  -8.285   6.608
  109   2HB   GLU  21          1HB       GLU  21  16.164  -6.727   8.470
  110   1HB   GLU  21          2HB       GLU  21  15.902  -5.714   7.050
  111   2HG   GLU  21          1HG       GLU  21  18.293  -5.716   6.563
  112   1HG   GLU  21          2HG       GLU  21  18.592  -6.844   7.885
  113    H    LEU  22           H        LEU  22  13.916  -7.494   6.104
  114    HA   LEU  22           HA       LEU  22  12.883  -9.342   8.103
  115   2HB   LEU  22          1HB       LEU  22  10.743  -8.831   6.853
  116   1HB   LEU  22          2HB       LEU  22  11.706  -7.936   5.679
  117    HG   LEU  22           HG       LEU  22  12.101  -6.191   7.126
  118   1HD1  LEU  22          1HD1      LEU  22  10.064  -6.104   8.817
  119   2HD1  LEU  22          2HD1      LEU  22   9.529  -7.509   7.896
  120   3HD1  LEU  22          3HD1      LEU  22   9.797  -5.970   7.079
  121   1HD2  LEU  22          1HD2      LEU  22  11.913  -8.238   9.354
  122   2HD2  LEU  22          2HD2      LEU  22  12.066  -6.506   9.655
  123   3HD2  LEU  22          3HD2      LEU  22  13.348  -7.371   8.806
  124    H    ASN  23           H        ASN  23  13.847  -9.559   4.737
  125    HA   ASN  23           HA       ASN  23  12.588 -12.199   4.325
  126   2HB   ASN  23          1HB       ASN  23  14.101 -11.899   2.177
  127   1HB   ASN  23          2HB       ASN  23  14.267 -10.245   2.764
  128   1HD2  ASN  23          1HD2      ASN  23  12.261  -8.933   2.917
  129   2HD2  ASN  23          2HD2      ASN  23  10.876  -9.378   2.043
  130    H    ALA  24           H        ALA  24  15.563 -10.919   5.555
  131    HA   ALA  24           HA       ALA  24  17.157 -13.308   5.052
  132   1HB   ALA  24          1HB       ALA  24  18.142 -11.069   4.964
  133   2HB   ALA  24          2HB       ALA  24  18.846 -11.959   6.313
  134   3HB   ALA  24          3HB       ALA  24  17.597 -10.749   6.611
  135    H    LYS  25           H        LYS  25  15.527 -11.679   7.769
  136    HA   LYS  25           HA       LYS  25  16.351 -13.800   9.663
  137   1HB   LYS  25          1HB       LYS  25  15.287 -12.335  11.299
  138   2HB   LYS  25          2HB       LYS  25  14.508 -11.411  10.017
  139   2HG   LYS  25          1HG       LYS  25  16.916 -10.951   9.175
  140   1HG   LYS  25          2HG       LYS  25  17.424 -11.482  10.778
  141   2HD   LYS  25          1HD       LYS  25  16.361  -9.691  11.844
  142   1HD   LYS  25          2HD       LYS  25  15.236  -9.438  10.509
  143   2HE   LYS  25          1HE       LYS  25  16.702  -7.661  10.137
  144   1HE   LYS  25          2HE       LYS  25  17.528  -8.918   9.197
  145   1HZ   LYS  25          1HZ       LYS  25  18.019  -8.265  12.064
  146   2HZ   LYS  25          2HZ       LYS  25  19.042  -7.854  10.771
  147   3HZ   LYS  25          3HZ       LYS  25  18.806  -9.485  11.185
  148    H    GLY  26           H        GLY  26  13.622 -12.789   7.727
  149   2HA   GLY  26          1HA       GLY  26  12.142 -15.235   8.531
  150   1HA   GLY  26          2HA       GLY  26  11.802 -14.242   7.112
  151    H    GLU  27           H        GLU  27  12.202 -11.851   9.144
  152    HA   GLU  27           HA       GLU  27   9.835 -12.070  10.870
  153   2HB   GLU  27          1HB       GLU  27  10.478  -9.611  11.248
  154   1HB   GLU  27          2HB       GLU  27  11.832  -9.911  10.158
  155   2HG   GLU  27          1HG       GLU  27  12.847 -11.424  11.631
  156   1HG   GLU  27          2HG       GLU  27  11.337 -11.765  12.475
  157    H    LYS  28           H        LYS  28   7.783 -11.622  10.196
  158    HA   LYS  28           HA       LYS  28   7.381 -10.193   7.609
  159   2HB   LYS  28          1HB       LYS  28   4.969 -11.096   8.166
  160   1HB   LYS  28          2HB       LYS  28   5.816 -12.082   9.358
  161   2HG   LYS  28          1HG       LYS  28   7.212 -13.062   7.634
  162   1HG   LYS  28          2HG       LYS  28   6.563 -11.959   6.420
  163   2HD   LYS  28          1HD       LYS  28   5.149 -13.698   5.977
  164   1HD   LYS  28          2HD       LYS  28   4.262 -13.072   7.366
  165   2HE   LYS  28          1HE       LYS  28   5.529 -14.627   8.848
  166   1HE   LYS  28          2HE       LYS  28   6.357 -15.281   7.420
  167   1HZ   LYS  28          1HZ       LYS  28   4.362 -16.570   7.997
  168   2HZ   LYS  28          2HZ       LYS  28   4.201 -15.835   6.474
  169   3HZ   LYS  28          3HZ       LYS  28   3.404 -15.181   7.826
  170    H    ARG  29           H        ARG  29   8.024  -8.148   8.845
  171    HA   ARG  29           HA       ARG  29   5.804  -7.083  10.542
  172   2HB   ARG  29          1HB       ARG  29   8.354  -5.605  10.281
  173   1HB   ARG  29          2HB       ARG  29   8.521  -7.237  10.922
  174   2HG   ARG  29          1HG       ARG  29   6.296  -6.213  12.262
  175   1HG   ARG  29          2HG       ARG  29   7.419  -4.855  12.197
  176   1HD   ARG  29          1HD       ARG  29   8.336  -7.615  13.047
  177   2HD   ARG  29          2HD       ARG  29   7.669  -6.452  14.210
  178    HE   ARG  29           HE       ARG  29   9.464  -4.849  13.299
  179   1HH1  ARG  29          1HH1      ARG  29  10.512  -6.708  11.184
  180   2HH1  ARG  29          2HH1      ARG  29  11.900  -7.393  11.959
  181   1HH2  ARG  29          1HH2      ARG  29  10.937  -6.406  15.150
  182   2HH2  ARG  29          2HH2      ARG  29  12.142  -7.222  14.210
  183    H    LEU  30           H        LEU  30   6.719  -4.314  10.073
  184    HA   LEU  30           HA       LEU  30   5.719  -3.958   7.273
  185   1HB   LEU  30          1HB       LEU  30   4.360  -3.332   9.450
  186   2HB   LEU  30          2HB       LEU  30   4.348  -2.243   8.072
  187    HG   LEU  30           HG       LEU  30   6.593  -1.447   9.519
  188   1HD1  LEU  30          1HD1      LEU  30   5.278   0.211   8.528
  189   2HD1  LEU  30          2HD1      LEU  30   4.910   0.428  10.240
  190   3HD1  LEU  30          3HD1      LEU  30   3.781  -0.440   9.198
  191   1HD2  LEU  30          1HD2      LEU  30   5.931  -2.767  11.450
  192   2HD2  LEU  30          2HD2      LEU  30   4.288  -2.133  11.365
  193   3HD2  LEU  30          3HD2      LEU  30   5.621  -1.068  11.806
  194    H    ILE  31           H        ILE  31   6.628  -2.189   6.068
  195    HA   ILE  31           HA       ILE  31   9.208  -1.082   7.135
  196    HB   ILE  31           HB       ILE  31   8.512  -2.152   4.375
  197   1HG2  ILE  31          1HG2      ILE  31  11.278  -1.300   5.168
  198   2HG2  ILE  31          2HG2      ILE  31  10.129  -0.061   4.671
  199   3HG2  ILE  31          3HG2      ILE  31  10.551  -1.367   3.562
  200   1HG1  ILE  31          1HG1      ILE  31   9.576  -3.354   6.751
  201   2HG1  ILE  31          2HG1      ILE  31  10.848  -3.319   5.530
  202   1HD1  ILE  31          1HD1      ILE  31   9.186  -4.302   3.904
  203   2HD1  ILE  31          2HD1      ILE  31   8.071  -4.500   5.253
  204   3HD1  ILE  31          3HD1      ILE  31   9.604  -5.371   5.240
  205    H    LYS  32           H        LYS  32   9.000   1.120   7.270
  206    HA   LYS  32           HA       LYS  32   6.877   2.527   5.802
  207   2HB   LYS  32          1HB       LYS  32   7.899   4.474   7.121
  208   1HB   LYS  32          2HB       LYS  32   8.995   3.284   7.823
  209   1HG   LYS  32          1HG       LYS  32   6.154   2.483   7.855
  210   2HG   LYS  32          2HG       LYS  32   6.513   3.908   8.830
  211   2HD   LYS  32          1HD       LYS  32   8.574   2.393   9.605
  212   1HD   LYS  32          2HD       LYS  32   7.472   1.094   9.147
  213   2HE   LYS  32          1HE       LYS  32   5.715   2.183  10.611
  214   1HE   LYS  32          2HE       LYS  32   6.972   3.299  11.179
  215   1HZ   LYS  32          1HZ       LYS  32   6.739   1.254  12.558
  216   2HZ   LYS  32          2HZ       LYS  32   8.291   1.447  11.898
  217   3HZ   LYS  32          3HZ       LYS  32   7.208   0.329  11.217
  218    H    THR  33           H        THR  33   7.300   4.422   4.469
  219    HA   THR  33           HA       THR  33  10.022   4.615   3.244
  220    HB   THR  33           HB       THR  33   7.354   4.067   1.913
  221    HG1  THR  33          1HG       THR  33   9.895   2.808   1.876
  222   1HG2  THR  33          1HG2      THR  33   9.853   5.298   0.812
  223   2HG2  THR  33          2HG2      THR  33   8.169   5.666   0.443
  224   3HG2  THR  33          3HG2      THR  33   8.915   4.207  -0.206
  225    H    TRP  34           H        TRP  34  10.354   6.729   2.174
  226    HA   TRP  34           HA       TRP  34   8.218   8.776   2.601
  227   1HB   TRP  34          1HB       TRP  34   9.763  10.201   3.830
  228   2HB   TRP  34          2HB       TRP  34  11.073   9.049   3.585
  229    HD1  TRP  34           HD       TRP  34   7.853   9.550   5.558
  230    HE3  TRP  34          3HE       TRP  34  11.925   6.745   4.362
  231    HE1  TRP  34          1HE       TRP  34   7.821   7.876   7.524
  232    HZ3  TRP  34          3HZ       TRP  34  12.620   4.844   5.795
  233    HZ2  TRP  34          2HZ       TRP  34   9.342   5.631   8.458
  234    HH2  TRP  34           HH       TRP  34  11.332   4.282   7.838
  235    H    SER  35           H        SER  35   9.360   7.622   0.116
  236    HA   SER  35           HA       SER  35  11.114   9.775  -0.926
  237   2HB   SER  35          1HB       SER  35  10.703   8.103  -3.008
  238   1HB   SER  35          2HB       SER  35  10.294   7.019  -1.680
  239    HG   SER  35           HG       SER  35  12.291   7.041  -0.999
  240    H    ARG  36           H        ARG  36   8.762   8.288  -3.074
  241    HA   ARG  36           HA       ARG  36   6.793  10.425  -2.962
  242   2HB   ARG  36          1HB       ARG  36   8.624  10.454  -5.369
  243   1HB   ARG  36          2HB       ARG  36   8.987  11.413  -3.935
  244   1HG   ARG  36          1HG       ARG  36   6.283  11.553  -5.271
  245   2HG   ARG  36          2HG       ARG  36   7.631  12.546  -5.824
  246   2HD   ARG  36          1HD       ARG  36   7.859  13.499  -3.545
  247   1HD   ARG  36          2HD       ARG  36   6.494  12.505  -3.001
  248    HE   ARG  36           HE       ARG  36   6.340  14.745  -4.969
  249   1HH1  ARG  36          1HH1      ARG  36   4.395  12.637  -5.710
  250   2HH1  ARG  36          2HH1      ARG  36   2.996  13.060  -4.780
  251   1HH2  ARG  36          1HH2      ARG  36   4.739  15.151  -2.621
  252   2HH2  ARG  36          2HH2      ARG  36   3.192  14.487  -3.026
  253    H    ARG  37           H        ARG  37   8.306   8.487  -5.597
  254    HA   ARG  37           HA       ARG  37   5.592   7.494  -6.355
  255   2HB   ARG  37          1HB       ARG  37   6.856   6.787  -8.419
  256   1HB   ARG  37          2HB       ARG  37   8.315   7.469  -7.702
  257   1HG   ARG  37          1HG       ARG  37   6.145   9.376  -7.549
  258   2HG   ARG  37          2HG       ARG  37   6.355   8.832  -9.214
  259   2HD   ARG  37          1HD       ARG  37   8.826   9.317  -8.980
  260   1HD   ARG  37          2HD       ARG  37   8.472  10.043  -7.398
  261    HE   ARG  37           HE       ARG  37   7.409  11.030 -10.022
  262   1HH1  ARG  37          1HH1      ARG  37   5.467  11.914  -8.160
  263   2HH1  ARG  37          2HH1      ARG  37   6.136  13.341  -7.440
  264   1HH2  ARG  37          1HH2      ARG  37   9.390  12.642  -8.442
  265   2HH2  ARG  37          2HH2      ARG  37   8.362  13.754  -7.599
  266    H    SER  38           H        SER  38   6.873   6.465  -3.969
  267    HA   SER  38           HA       SER  38   8.360   4.177  -3.956
  268   2HB   SER  38          1HB       SER  38   6.743   3.504  -2.073
  269   1HB   SER  38          2HB       SER  38   5.813   4.935  -2.520
  270    HG   SER  38           HG       SER  38   7.271   6.174  -1.686
  271    H    THR  39           H        THR  39   8.220   2.127  -4.730
  272    HA   THR  39           HA       THR  39   5.597   1.136  -5.797
  273    HB   THR  39           HB       THR  39   8.394   0.938  -6.962
  274    HG1  THR  39          1HG       THR  39   5.991   2.097  -7.925
  275   1HG2  THR  39          1HG2      THR  39   5.895  -0.604  -7.490
  276   2HG2  THR  39          2HG2      THR  39   7.578  -1.107  -7.647
  277   3HG2  THR  39          3HG2      THR  39   6.840  -0.099  -8.891
  278    H    ILE  40           H        ILE  40   5.382  -1.214  -5.723
  279    HA   ILE  40           HA       ILE  40   6.604  -2.399  -3.343
  280    HB   ILE  40           HB       ILE  40   5.006  -3.819  -5.474
  281   1HG2  ILE  40          1HG2      ILE  40   5.021  -4.073  -2.453
  282   2HG2  ILE  40          2HG2      ILE  40   5.952  -5.102  -3.542
  283   3HG2  ILE  40          3HG2      ILE  40   4.192  -5.124  -3.601
  284   1HG1  ILE  40          1HG1      ILE  40   4.230  -1.488  -3.930
  285   2HG1  ILE  40          2HG1      ILE  40   3.246  -2.881  -3.486
  286   1HD1  ILE  40          1HD1      ILE  40   2.545  -3.220  -5.742
  287   2HD1  ILE  40          2HD1      ILE  40   3.778  -2.130  -6.366
  288   3HD1  ILE  40          3HD1      ILE  40   2.408  -1.486  -5.464
  289    H    VAL  41           H        VAL  41   7.768  -4.453  -3.359
  290    HA   VAL  41           HA       VAL  41   9.320  -5.058  -5.859
  291    HB   VAL  41           HB       VAL  41  11.028  -5.597  -3.712
  292   1HG1  VAL  41          1HG1      VAL  41  11.866  -4.700  -5.740
  293   2HG1  VAL  41          2HG1      VAL  41  12.173  -3.447  -4.539
  294   3HG1  VAL  41          3HG1      VAL  41  10.813  -3.289  -5.650
  295   1HG2  VAL  41          1HG2      VAL  41   9.517  -4.272  -2.225
  296   2HG2  VAL  41          2HG2      VAL  41   9.758  -2.872  -3.268
  297   3HG2  VAL  41          3HG2      VAL  41  11.119  -3.554  -2.377
  298    HA   PRO  42           HA       PRO  42   8.668  -9.280  -5.049
  299   2HB   PRO  42          1HB       PRO  42  10.386  -9.844  -6.470
  300   1HB   PRO  42          2HB       PRO  42  11.158 -10.410  -4.975
  301   1HG   PRO  42          1HG       PRO  42  12.344  -8.629  -6.532
  302   2HG   PRO  42          2HG       PRO  42  12.419  -8.484  -4.766
  303   2HD   PRO  42          1HD       PRO  42  10.742  -6.977  -6.734
  304   1HD   PRO  42          2HD       PRO  42  11.568  -6.399  -5.269
  305    H    GLU  43           H        GLU  43  10.997  -7.732  -2.924
  306    HA   GLU  43           HA       GLU  43  10.860  -9.743  -0.815
  307   1HB   GLU  43          1HB       GLU  43  12.199  -8.105   0.409
  308   2HB   GLU  43          2HB       GLU  43  11.764  -6.846  -0.744
  309   2HG   GLU  43          1HG       GLU  43  12.812  -8.957  -2.294
  310   1HG   GLU  43          2HG       GLU  43  13.888  -8.811  -0.904
  311    H    MET  44           H        MET  44   8.544  -7.573  -1.900
  312    HA   MET  44           HA       MET  44   7.561  -6.746   0.779
  313   2HB   MET  44          1HB       MET  44   5.762  -5.807  -1.010
  314   1HB   MET  44          2HB       MET  44   7.141  -6.044  -2.078
  315   2HG   MET  44          1HG       MET  44   8.425  -4.461  -0.994
  316   1HG   MET  44          2HG       MET  44   7.620  -4.719   0.550
  317   1HE   MET  44          1HE       MET  44   8.368  -2.503  -1.988
  318   2HE   MET  44          2HE       MET  44   8.180  -1.671  -0.448
  319   3HE   MET  44          3HE       MET  44   7.203  -1.183  -1.829
  320    H    VAL  45           H        VAL  45   7.071  -9.330  -1.412
  321    HA   VAL  45           HA       VAL  45   4.332  -9.922  -1.281
  322    HB   VAL  45           HB       VAL  45   5.968 -10.999  -2.738
  323   1HG1  VAL  45          1HG1      VAL  45   7.862 -10.967  -1.122
  324   2HG1  VAL  45          2HG1      VAL  45   7.653 -12.551  -1.866
  325   3HG1  VAL  45          3HG1      VAL  45   7.089 -12.271  -0.219
  326   1HG2  VAL  45          1HG2      VAL  45   4.829 -12.952  -2.808
  327   2HG2  VAL  45          2HG2      VAL  45   3.955 -12.355  -1.401
  328   3HG2  VAL  45          3HG2      VAL  45   5.348 -13.410  -1.188
  329    H    GLY  46           H        GLY  46   6.125  -9.613   1.544
  330   2HA   GLY  46          1HA       GLY  46   5.873 -11.701   3.221
  331   1HA   GLY  46          2HA       GLY  46   4.175 -11.285   2.993
  332    H    HIS  47           H        HIS  47   4.815  -8.355   2.753
  333    HA   HIS  47           HA       HIS  47   5.085  -7.831   5.677
  334   1HB   HIS  47          1HB       HIS  47   6.895  -6.299   5.363
  335   2HB   HIS  47          2HB       HIS  47   6.687  -6.299   3.615
  336    HD1  HIS  47          1HD       HIS  47   8.287  -8.190   6.396
  337    HD2  HIS  47          2HD       HIS  47   7.655  -8.682   2.303
  338    HE1  HIS  47          1HE       HIS  47   9.795 -10.089   5.663
  339    H    THR  48           H        THR  48   4.376  -5.682   6.265
  340    HA   THR  48           HA       THR  48   2.347  -4.516   4.436
  341    HB   THR  48           HB       THR  48   2.638  -3.546   7.229
  342    HG1  THR  48          1HG       THR  48   2.864  -5.465   8.031
  343   1HG2  THR  48          1HG2      THR  48   0.195  -4.896   6.186
  344   2HG2  THR  48          2HG2      THR  48   0.693  -3.400   5.399
  345   3HG2  THR  48          3HG2      THR  48   0.346  -3.411   7.127
  346    H    ILE  49           H        ILE  49   4.026  -3.454   3.142
  347    HA   ILE  49           HA       ILE  49   5.874  -1.599   4.484
  348    HB   ILE  49           HB       ILE  49   5.267  -2.225   1.583
  349   1HG2  ILE  49          1HG2      ILE  49   7.648  -0.722   2.715
  350   2HG2  ILE  49          2HG2      ILE  49   6.247   0.077   2.002
  351   3HG2  ILE  49          3HG2      ILE  49   7.255  -0.979   1.016
  352   2HG1  ILE  49          1HG1      ILE  49   6.355  -4.133   2.186
  353   1HG1  ILE  49          2HG1      ILE  49   6.912  -3.439   3.705
  354   1HD1  ILE  49          1HD1      ILE  49   8.151  -2.726   1.040
  355   2HD1  ILE  49          2HD1      ILE  49   8.737  -4.056   2.036
  356   3HD1  ILE  49          3HD1      ILE  49   8.793  -2.404   2.648
  357    H    ALA  50           H        ALA  50   5.311   0.439   5.053
  358    HA   ALA  50           HA       ALA  50   2.877   1.658   4.013
  359   1HB   ALA  50          1HB       ALA  50   3.637   3.560   5.506
  360   2HB   ALA  50          2HB       ALA  50   5.069   2.591   5.876
  361   3HB   ALA  50          3HB       ALA  50   3.468   2.003   6.323
  362    H    VAL  51           H        VAL  51   3.425   1.699   1.782
  363    HA   VAL  51           HA       VAL  51   5.749   3.001   0.709
  364    HB   VAL  51           HB       VAL  51   4.496   2.908  -1.394
  365   1HG1  VAL  51          1HG1      VAL  51   5.305   0.779  -0.083
  366   2HG1  VAL  51          2HG1      VAL  51   4.304   0.593  -1.523
  367   3HG1  VAL  51          3HG1      VAL  51   3.578   0.461   0.080
  368   1HG2  VAL  51          1HG2      VAL  51   2.339   3.754  -0.741
  369   2HG2  VAL  51          2HG2      VAL  51   2.116   2.451   0.427
  370   3HG2  VAL  51          3HG2      VAL  51   2.086   2.101  -1.301
  371    H    TYR  52           H        TYR  52   6.211   5.144   0.493
  372    HA   TYR  52           HA       TYR  52   4.387   7.167   1.528
  373   2HB   TYR  52          1HB       TYR  52   6.945   7.522  -0.067
  374   1HB   TYR  52          2HB       TYR  52   6.940   7.109   1.647
  375    HD1  TYR  52          1HD       TYR  52   7.230   9.773  -0.543
  376    HE1  TYR  52          1HE       TYR  52   6.973  12.164   0.055
  377    HE2  TYR  52          2HE       TYR  52   4.899  11.038   3.644
  378    HD2  TYR  52          2HD       TYR  52   5.161   8.649   3.044
  379    HH   TYR  52           HH       TYR  52   6.550  13.351   2.727
  380    H    ASN  53           H        ASN  53   2.576   7.572   0.251
  381    HA   ASN  53           HA       ASN  53   2.747   7.447  -2.684
  382   2HB   ASN  53          1HB       ASN  53   0.791   6.594  -1.482
  383   1HB   ASN  53          2HB       ASN  53   0.312   7.941  -2.509
  384   1HD2  ASN  53          1HD2      ASN  53  -0.079  10.068  -1.404
  385   2HD2  ASN  53          2HD2      ASN  53  -0.466  10.093   0.247
  386    H    GLY  54           H        GLY  54   4.274   9.575  -1.182
  387   2HA   GLY  54          1HA       GLY  54   3.123  11.925  -2.619
  388   1HA   GLY  54          2HA       GLY  54   4.846  11.689  -2.318
  389    H    LYS  55           H        LYS  55   2.230  11.132   0.025
  390    HA   LYS  55           HA       LYS  55   3.483  13.194   1.783
  391   2HB   LYS  55          1HB       LYS  55   1.729  14.482   1.021
  392   1HB   LYS  55          2HB       LYS  55   0.895  13.618   2.309
  393   2HG   LYS  55          1HG       LYS  55   0.347  11.854   0.488
  394   1HG   LYS  55          2HG       LYS  55   0.774  13.123  -0.660
  395   2HD   LYS  55          1HD       LYS  55  -0.970  14.540   0.095
  396   1HD   LYS  55          2HD       LYS  55  -1.187  13.619   1.584
  397   2HE   LYS  55          1HE       LYS  55  -1.982  11.675   0.210
  398   1HE   LYS  55          2HE       LYS  55  -1.872  12.699  -1.234
  399   1HZ   LYS  55          1HZ       LYS  55  -4.099  12.773  -0.256
  400   2HZ   LYS  55          2HZ       LYS  55  -3.349  14.293  -0.155
  401   3HZ   LYS  55          3HZ       LYS  55  -3.453  13.299   1.220
  402    H    GLN  56           H        GLN  56   1.741  10.166   1.456
  403    HA   GLN  56           HA       GLN  56   1.786   9.878   4.435
  404   2HB   GLN  56          1HB       GLN  56  -0.248   8.288   3.537
  405   1HB   GLN  56          2HB       GLN  56  -0.268   9.595   2.352
  406   2HG   GLN  56          1HG       GLN  56  -1.702  10.167   4.253
  407   1HG   GLN  56          2HG       GLN  56  -0.300  11.238   4.193
  408   1HE2  GLN  56          1HE2      GLN  56   0.200   7.904   5.303
  409   2HE2  GLN  56          2HE2      GLN  56   0.418   8.293   6.939
  410    H    HIS  57           H        HIS  57   2.132   7.823   5.282
  411    HA   HIS  57           HA       HIS  57   3.558   5.873   3.558
  412   1HB   HIS  57          1HB       HIS  57   4.636   5.285   5.547
  413   2HB   HIS  57          2HB       HIS  57   3.252   5.672   6.543
  414    HD1  HIS  57          1HD       HIS  57   3.386   7.821   7.788
  415    HD2  HIS  57          2HD       HIS  57   5.929   7.810   4.488
  416    HE1  HIS  57          1HE       HIS  57   4.660  10.007   7.860
  417    H    VAL  58           H        VAL  58   1.995   4.450   2.688
  418    HA   VAL  58           HA       VAL  58  -0.301   3.643   4.426
  419    HB   VAL  58           HB       VAL  58   0.239   3.126   1.478
  420   1HG1  VAL  58          1HG1      VAL  58  -1.964   2.394   1.332
  421   2HG1  VAL  58          2HG1      VAL  58  -2.472   3.306   2.753
  422   3HG1  VAL  58          3HG1      VAL  58  -1.539   1.821   2.945
  423   1HG2  VAL  58          1HG2      VAL  58   0.179   5.510   1.734
  424   2HG2  VAL  58          2HG2      VAL  58  -1.149   5.420   2.891
  425   3HG2  VAL  58          3HG2      VAL  58  -1.434   5.042   1.192
  426    HA   PRO  59           HA       PRO  59   2.498   0.048   4.963
  427   2HB   PRO  59          1HB       PRO  59   2.541   0.442   7.252
  428   1HB   PRO  59          2HB       PRO  59   1.297  -0.826   7.275
  429   1HG   PRO  59          1HG       PRO  59   0.832   1.601   8.276
  430   2HG   PRO  59          2HG       PRO  59  -0.425   0.708   7.403
  431   2HD   PRO  59          1HD       PRO  59   1.248   3.013   6.505
  432   1HD   PRO  59          2HD       PRO  59  -0.449   2.640   6.140
  433    H    VAL  60           H        VAL  60   1.627  -0.958   3.182
  434    HA   VAL  60           HA       VAL  60  -0.960  -2.424   3.525
  435    HB   VAL  60           HB       VAL  60   0.670  -1.647   1.091
  436   1HG1  VAL  60          1HG1      VAL  60  -1.444  -2.316  -0.115
  437   2HG1  VAL  60          2HG1      VAL  60  -2.004  -3.032   1.397
  438   3HG1  VAL  60          3HG1      VAL  60  -0.553  -3.660   0.607
  439   1HG2  VAL  60          1HG2      VAL  60  -1.441  -0.188   0.742
  440   2HG2  VAL  60          2HG2      VAL  60  -0.278   0.338   1.961
  441   3HG2  VAL  60          3HG2      VAL  60  -1.761  -0.481   2.453
  442    H    TYR  61           H        TYR  61  -0.856  -4.610   3.783
  443    HA   TYR  61           HA       TYR  61   1.643  -6.086   3.560
  444   2HB   TYR  61          1HB       TYR  61  -1.038  -7.429   3.561
  445   1HB   TYR  61          2HB       TYR  61  -0.627  -6.437   4.962
  446    HD1  TYR  61          1HD       TYR  61   0.830  -9.102   2.756
  447    HE1  TYR  61          1HE       TYR  61   2.267 -10.924   3.620
  448    HE2  TYR  61          2HE       TYR  61   2.094  -9.191   7.549
  449    HD2  TYR  61          2HD       TYR  61   0.654  -7.371   6.683
  450    HH   TYR  61           HH       TYR  61   3.969 -10.849   6.214
  451    H    ILE  62           H        ILE  62   2.433  -6.169   1.504
  452    HA   ILE  62           HA       ILE  62   0.869  -6.129  -0.887
  453    HB   ILE  62           HB       ILE  62   3.723  -6.850  -0.254
  454   1HG2  ILE  62          1HG2      ILE  62   2.681  -6.120  -2.993
  455   2HG2  ILE  62          2HG2      ILE  62   2.762  -7.801  -2.470
  456   3HG2  ILE  62          3HG2      ILE  62   4.234  -6.838  -2.565
  457   1HG1  ILE  62          1HG1      ILE  62   2.172  -4.401  -0.614
  458   2HG1  ILE  62          2HG1      ILE  62   3.548  -4.472  -1.709
  459   1HD1  ILE  62          1HD1      ILE  62   4.338  -3.450   0.306
  460   2HD1  ILE  62          2HD1      ILE  62   4.963  -5.097   0.313
  461   3HD1  ILE  62          3HD1      ILE  62   3.572  -4.680   1.310
  462    H    THR  63           H        THR  63   2.611  -8.896   0.559
  463    HA   THR  63           HA       THR  63   2.227 -11.213   0.298
  464    HB   THR  63           HB       THR  63  -0.367 -10.486  -1.074
  465    HG1  THR  63          1HG       THR  63  -0.959  -9.458   0.639
  466   1HG2  THR  63          1HG2      THR  63   0.730 -12.762   0.519
  467   2HG2  THR  63          2HG2      THR  63  -0.270 -12.787  -0.933
  468   3HG2  THR  63          3HG2      THR  63  -0.998 -12.426   0.632
  469    H    GLU  64           H        GLU  64   1.643 -12.795  -1.728
  470    HA   GLU  64           HA       GLU  64   3.284 -11.774  -3.957
  471   2HB   GLU  64          1HB       GLU  64   1.911 -14.442  -3.990
  472   1HB   GLU  64          2HB       GLU  64   3.113 -14.162  -2.730
  473   2HG   GLU  64          1HG       GLU  64   4.435 -15.008  -4.464
  474   1HG   GLU  64          2HG       GLU  64   4.580 -13.270  -4.724
  475    H    ASN  65           H        ASN  65   1.206 -10.156  -4.138
  476    HA   ASN  65           HA       ASN  65  -0.262 -11.043  -6.520
  477   2HB   ASN  65          1HB       ASN  65  -1.781 -10.367  -3.992
  478   1HB   ASN  65          2HB       ASN  65  -1.421 -12.020  -4.492
  479   1HD2  ASN  65          1HD2      ASN  65  -3.449  -9.221  -5.135
  480   2HD2  ASN  65          2HD2      ASN  65  -4.395  -9.945  -6.343
  481    H    MET  66           H        MET  66   0.179  -8.501  -4.019
  482    HA   MET  66           HA       MET  66  -0.988  -6.505  -5.913
  483   2HB   MET  66          1HB       MET  66  -0.886  -5.073  -3.892
  484   1HB   MET  66          2HB       MET  66  -0.137  -6.406  -3.016
  485   2HG   MET  66          1HG       MET  66  -2.291  -7.687  -4.033
  486   1HG   MET  66          2HG       MET  66  -2.954  -6.058  -3.917
  487   1HE   MET  66          1HE       MET  66  -4.698  -7.442  -2.290
  488   2HE   MET  66          2HE       MET  66  -4.174  -8.288  -0.836
  489   3HE   MET  66          3HE       MET  66  -3.672  -8.876  -2.419
  490    H    VAL  67           H        VAL  67   2.021  -7.787  -5.683
  491    HA   VAL  67           HA       VAL  67   3.556  -5.261  -5.551
  492    HB   VAL  67           HB       VAL  67   4.384  -7.313  -4.487
  493   1HG1  VAL  67          1HG1      VAL  67   3.945  -8.398  -7.249
  494   2HG1  VAL  67          2HG1      VAL  67   3.597  -9.143  -5.689
  495   3HG1  VAL  67          3HG1      VAL  67   5.257  -9.069  -6.279
  496   1HG2  VAL  67          1HG2      VAL  67   6.633  -7.353  -5.518
  497   2HG2  VAL  67          2HG2      VAL  67   6.026  -5.701  -5.387
  498   3HG2  VAL  67          3HG2      VAL  67   5.992  -6.532  -6.941
  499    H    GLY  68           H        GLY  68   5.104  -4.690  -7.262
  500   2HA   GLY  68          1HA       GLY  68   4.402  -5.658  -9.989
  501   1HA   GLY  68          2HA       GLY  68   5.929  -4.901  -9.537
  502    H    HIS  69           H        HIS  69   3.140  -3.332  -8.231
  503    HA   HIS  69           HA       HIS  69   3.216  -1.370 -10.494
  504   2HB   HIS  69          1HB       HIS  69   0.927  -0.784  -9.597
  505   1HB   HIS  69          2HB       HIS  69   1.073  -2.123  -8.468
  506    HD1  HIS  69          1HD       HIS  69  -0.504  -1.491 -11.508
  507    HD2  HIS  69          2HD       HIS  69   2.044  -4.562 -10.288
  508    HE1  HIS  69          1HE       HIS  69  -0.894  -3.422 -13.100
  509    H    LYS  70           H        LYS  70   1.837  -0.763  -7.334
  510    HA   LYS  70           HA       LYS  70   3.962   0.603  -6.052
  511   2HB   LYS  70          1HB       LYS  70   4.091   2.235  -7.733
  512   1HB   LYS  70          2HB       LYS  70   2.980   2.985  -6.593
  513   1HG   LYS  70          1HG       LYS  70   1.760   1.221  -8.642
  514   2HG   LYS  70          2HG       LYS  70   2.439   2.734  -9.229
  515   2HD   LYS  70          1HD       LYS  70   1.112   3.669  -7.081
  516   1HD   LYS  70          2HD       LYS  70   0.110   2.259  -7.428
  517   1HE   LYS  70          1HE       LYS  70   0.794   3.755  -9.858
  518   2HE   LYS  70          2HE       LYS  70  -0.106   4.735  -8.685
  519   1HZ   LYS  70          1HZ       LYS  70  -1.589   3.409 -10.104
  520   2HZ   LYS  70          2HZ       LYS  70  -1.713   2.941  -8.476
  521   3HZ   LYS  70          3HZ       LYS  70  -0.836   1.984  -9.574
  522    H    LEU  71           H        LEU  71   0.618   0.526  -6.804
  523    HA   LEU  71           HA       LEU  71  -0.385   0.057  -4.178
  524   1HB   LEU  71          1HB       LEU  71   0.496   2.536  -4.216
  525   2HB   LEU  71          2HB       LEU  71  -1.044   2.180  -3.443
  526    HG   LEU  71           HG       LEU  71  -1.190   2.783  -6.345
  527   1HD1  LEU  71          1HD1      LEU  71  -2.754   3.238  -3.837
  528   2HD1  LEU  71          2HD1      LEU  71  -3.293   2.622  -5.399
  529   3HD1  LEU  71          3HD1      LEU  71  -3.012   4.348  -5.183
  530   1HD2  LEU  71          1HD2      LEU  71   0.563   4.375  -5.325
  531   2HD2  LEU  71          2HD2      LEU  71  -0.770   5.048  -4.389
  532   3HD2  LEU  71          3HD2      LEU  71  -0.805   5.120  -6.151
  533    H    GLY  72           H        GLY  72  -0.891   0.709  -7.567
  534   2HA   GLY  72          1HA       GLY  72  -2.758   0.517  -8.958
  535   1HA   GLY  72          2HA       GLY  72  -3.779   0.806  -7.550
  536    H    GLU  73           H        GLU  73  -1.508  -1.730  -7.139
  537    HA   GLU  73           HA       GLU  73  -3.198  -3.904  -8.177
  538   2HB   GLU  73          1HB       GLU  73  -1.361  -5.155  -6.736
  539   1HB   GLU  73          2HB       GLU  73  -0.590  -3.573  -6.714
  540   2HG   GLU  73          1HG       GLU  73   0.297  -4.182  -8.701
  541   1HG   GLU  73          2HG       GLU  73  -1.304  -3.853  -9.364
  542    H    PHE  74           H        PHE  74  -2.936  -2.004  -5.353
  543    HA   PHE  74           HA       PHE  74  -4.344  -3.980  -3.627
  544   1HB   PHE  74          1HB       PHE  74  -3.594  -2.600  -1.817
  545   2HB   PHE  74          2HB       PHE  74  -3.280  -1.241  -2.887
  546    HD1  PHE  74          1HD       PHE  74  -1.398  -1.566  -4.693
  547    HE1  PHE  74          1HE       PHE  74   0.957  -2.228  -4.871
  548    HZ   PHE  74           HZ       PHE  74   1.925  -3.818  -3.248
  549    HE2  PHE  74          2HE       PHE  74   0.523  -4.730  -1.428
  550    HD2  PHE  74          2HD       PHE  74  -1.848  -4.069  -1.239
  551    H    ALA  75           H        ALA  75  -4.682  -1.013  -5.440
  552    HA   ALA  75           HA       ALA  75  -7.524  -0.768  -4.520
  553   1HB   ALA  75          1HB       ALA  75  -5.370   1.327  -4.935
  554   2HB   ALA  75          2HB       ALA  75  -6.235   0.963  -3.441
  555   3HB   ALA  75          3HB       ALA  75  -7.080   1.735  -4.783
  556    HA   PRO  76           HA       PRO  76  -6.958  -0.732  -9.174
  557   2HB   PRO  76          1HB       PRO  76  -6.046  -2.839  -9.428
  558   1HB   PRO  76          2HB       PRO  76  -7.725  -3.286  -9.784
  559   1HG   PRO  76          1HG       PRO  76  -6.216  -4.334  -7.747
  560   2HG   PRO  76          2HG       PRO  76  -7.985  -4.306  -7.780
  561   2HD   PRO  76          1HD       PRO  76  -6.169  -2.869  -6.055
  562   1HD   PRO  76          2HD       PRO  76  -7.938  -2.973  -5.968
  563    H    THR  77           H        THR  77  -8.986   0.393  -7.803
  564    HA   THR  77           HA       THR  77 -11.311   0.781  -7.647
  565    HB   THR  77           HB       THR  77 -10.513   1.576  -9.880
  566    HG1  THR  77          1HG       THR  77 -12.505   2.207  -9.754
  567   1HG2  THR  77          1HG2      THR  77 -11.400  -1.188 -10.700
  568   2HG2  THR  77          2HG2      THR  77  -9.888  -0.361 -11.074
  569   3HG2  THR  77          3HG2      THR  77 -11.387   0.147 -11.850
  570    H    ARG  78           H        ARG  78 -10.861  -1.793  -6.687
  571    HA   ARG  78           HA       ARG  78 -12.856  -3.567  -8.014
  572   2HB   ARG  78          1HB       ARG  78 -11.031  -4.070  -5.642
  573   1HB   ARG  78          2HB       ARG  78 -10.532  -4.306  -7.316
  574   1HG   ARG  78          1HG       ARG  78 -13.100  -5.586  -6.652
  575   2HG   ARG  78          2HG       ARG  78 -11.734  -6.224  -5.739
  576   2HD   ARG  78          1HD       ARG  78 -10.757  -5.975  -8.360
  577   1HD   ARG  78          2HD       ARG  78 -12.402  -6.613  -8.551
  578    HE   ARG  78           HE       ARG  78 -11.773  -8.492  -7.124
  579   1HH1  ARG  78          1HH1      ARG  78  -9.578  -8.809  -8.995
  580   2HH1  ARG  78          2HH1      ARG  78  -8.163  -8.746  -7.998
  581   1HH2  ARG  78          1HH2      ARG  78  -9.807  -7.299  -5.299
  582   2HH2  ARG  78          2HH2      ARG  78  -8.293  -7.889  -5.900
  583    H    THR  79           H        THR  79 -14.913  -3.683  -7.194
  584    HA   THR  79           HA       THR  79 -15.582  -2.254  -4.698
  585    HB   THR  79           HB       THR  79 -17.287  -3.814  -6.673
  586    HG1  THR  79          1HG       THR  79 -16.657  -1.050  -6.510
  587   1HG2  THR  79          1HG2      THR  79 -17.944  -1.815  -4.496
  588   2HG2  THR  79          2HG2      THR  79 -18.490  -3.489  -4.616
  589   3HG2  THR  79          3HG2      THR  79 -19.085  -2.283  -5.757
  590    H    TYR  80           H        TYR  80 -15.177  -3.395  -2.830
  591    HA   TYR  80           HA       TYR  80 -16.312  -6.149  -2.599
  592   2HB   TYR  80          1HB       TYR  80 -13.920  -6.191  -1.156
  593   1HB   TYR  80          2HB       TYR  80 -13.509  -5.313  -2.629
  594    HD1  TYR  80          1HD       TYR  80 -14.647  -8.521  -1.231
  595    HE1  TYR  80          1HE       TYR  80 -14.603 -10.655  -2.492
  596    HE2  TYR  80          2HE       TYR  80 -13.657  -8.510  -6.090
  597    HD2  TYR  80          2HD       TYR  80 -13.702  -6.375  -4.830
  598    HH   TYR  80           HH       TYR  80 -14.990 -11.085  -5.393

  No H/Q in entry =         598
  Start of MODEL   13
    1    H    GLY   8           H        GLY   8  11.155   6.691 -13.605
    2   2HA   GLY   8          1HA       GLY   8   8.920   6.397 -14.469
    3   1HA   GLY   8          2HA       GLY   8   8.301   7.339 -13.112
    4    H    VAL   9           H        VAL   9   7.449   6.201 -11.429
    5    HA   VAL   9           HA       VAL   9   6.885   4.396 -10.023
    6    HB   VAL   9           HB       VAL   9   7.462   2.877 -12.593
    7   1HG1  VAL   9          1HG1      VAL   9   7.143   1.363 -10.723
    8   2HG1  VAL   9          2HG1      VAL   9   5.670   1.358 -11.692
    9   3HG1  VAL   9          3HG1      VAL   9   5.728   2.264 -10.180
   10   1HG2  VAL   9          1HG2      VAL   9   4.934   3.199 -12.886
   11   2HG2  VAL   9          2HG2      VAL   9   5.932   4.630 -13.145
   12   3HG2  VAL   9          3HG2      VAL   9   5.049   4.432 -11.631
   13    H    PHE  10           H        PHE  10   9.084   4.939  -8.985
   14    HA   PHE  10           HA       PHE  10  11.144   2.831  -9.432
   15   1HB   PHE  10          1HB       PHE  10  11.179   5.606  -9.040
   16   2HB   PHE  10          2HB       PHE  10  12.575   4.537  -9.034
   17    HD1  PHE  10          1HD       PHE  10  13.825   4.177  -7.063
   18    HE1  PHE  10          1HE       PHE  10  14.207   4.681  -4.674
   19    HZ   PHE  10           HZ       PHE  10  12.461   5.838  -3.342
   20    HE2  PHE  10          2HE       PHE  10  10.316   6.492  -4.434
   21    HD2  PHE  10          2HD       PHE  10   9.939   5.991  -6.826
   22    H    VAL  11           H        VAL  11  11.846   1.508  -7.670
   23    HA   VAL  11           HA       VAL  11   9.838   1.197  -5.499
   24    HB   VAL  11           HB       VAL  11  12.192  -0.496  -6.420
   25   1HG1  VAL  11          1HG1      VAL  11  10.975  -0.547  -3.940
   26   2HG1  VAL  11          2HG1      VAL  11  11.800  -1.913  -4.691
   27   3HG1  VAL  11          3HG1      VAL  11  10.051  -1.751  -4.839
   28   1HG2  VAL  11          1HG2      VAL  11   9.215  -0.974  -6.755
   29   2HG2  VAL  11          2HG2      VAL  11  10.530  -1.919  -7.454
   30   3HG2  VAL  11          3HG2      VAL  11  10.237  -0.272  -8.011
   31    H    ASP  12           H        ASP  12  10.322   2.629  -3.847
   32    HA   ASP  12           HA       ASP  12  12.715   3.830  -3.197
   33   2HB   ASP  12          1HB       ASP  12  10.580   2.776  -1.325
   34   1HB   ASP  12          2HB       ASP  12  10.544   4.323  -2.168
   35    H    ASP  13           H        ASP  13  14.667   2.855  -2.990
   36    HA   ASP  13           HA       ASP  13  15.107   0.168  -2.126
   37   2HB   ASP  13          1HB       ASP  13  17.080   2.452  -2.037
   38   1HB   ASP  13          2HB       ASP  13  16.527   1.777  -3.572
   39    H    HIS  14           H        HIS  14  14.737   3.213  -0.488
   40    HA   HIS  14           HA       HIS  14  16.096   2.657   1.947
   41   2HB   HIS  14          1HB       HIS  14  13.618   4.285   2.005
   42   1HB   HIS  14          2HB       HIS  14  14.788   4.748   0.766
   43    HD1  HIS  14          1HD       HIS  14  17.376   4.958   1.795
   44    HD2  HIS  14          2HD       HIS  14  14.208   5.366   4.474
   45    HE1  HIS  14          1HE       HIS  14  18.317   6.104   3.847
   46    H    LEU  15           H        LEU  15  12.855   1.831   0.810
   47    HA   LEU  15           HA       LEU  15  12.000   0.763   3.407
   48   1HB   LEU  15          1HB       LEU  15  10.775   1.757   1.155
   49   2HB   LEU  15          2HB       LEU  15   9.950   0.810   2.383
   50    HG   LEU  15           HG       LEU  15  11.332  -0.547   0.078
   51   1HD1  LEU  15          1HD1      LEU  15   8.879  -1.733   0.902
   52   2HD1  LEU  15          2HD1      LEU  15   9.796  -1.346   2.355
   53   3HD1  LEU  15          3HD1      LEU  15  10.510  -2.364   1.107
   54   1HD2  LEU  15          1HD2      LEU  15   9.198  -0.492  -1.145
   55   2HD2  LEU  15          2HD2      LEU  15   9.793   1.144  -0.872
   56   3HD2  LEU  15          3HD2      LEU  15   8.487   0.504   0.125
   57    H    LEU  16           H        LEU  16  13.224  -0.412   0.311
   58    HA   LEU  16           HA       LEU  16  13.010  -3.216   0.734
   59   2HB   LEU  16          1HB       LEU  16  15.197  -2.968  -0.834
   60   1HB   LEU  16          2HB       LEU  16  14.559  -1.327  -0.965
   61    HG   LEU  16           HG       LEU  16  12.728  -3.679  -1.251
   62   1HD1  LEU  16          1HD1      LEU  16  12.272  -1.045  -1.136
   63   2HD1  LEU  16          2HD1      LEU  16  11.269  -2.135  -2.089
   64   3HD1  LEU  16          3HD1      LEU  16  12.545  -1.199  -2.868
   65   1HD2  LEU  16          1HD2      LEU  16  14.883  -3.698  -2.804
   66   2HD2  LEU  16          2HD2      LEU  16  13.991  -2.450  -3.676
   67   3HD2  LEU  16          3HD2      LEU  16  13.292  -4.058  -3.477
   68    H    GLU  17           H        GLU  17  15.565  -0.862   1.540
   69    HA   GLU  17           HA       GLU  17  17.596  -2.575   2.473
   70   1HB   GLU  17          1HB       GLU  17  17.049   0.139   2.417
   71   2HB   GLU  17          2HB       GLU  17  18.493  -0.583   3.117
   72   2HG   GLU  17          1HG       GLU  17  17.371  -0.701   5.312
   73   1HG   GLU  17          2HG       GLU  17  15.925   0.025   4.612
   74    H    LYS  18           H        LYS  18  14.540  -1.696   3.991
   75    HA   LYS  18           HA       LYS  18  15.212  -3.079   6.522
   76   2HB   LYS  18          1HB       LYS  18  12.729  -2.390   6.913
   77   1HB   LYS  18          2HB       LYS  18  12.895  -1.501   5.399
   78   2HG   LYS  18          1HG       LYS  18  13.678   0.174   6.727
   79   1HG   LYS  18          2HG       LYS  18  15.178  -0.753   6.722
   80   2HD   LYS  18          1HD       LYS  18  14.595  -1.837   8.797
   81   1HD   LYS  18          2HD       LYS  18  12.963  -1.165   8.752
   82   2HE   LYS  18          1HE       LYS  18  13.923   1.125   8.952
   83   1HE   LYS  18          2HE       LYS  18  15.548   0.418   9.050
   84   1HZ   LYS  18          1HZ       LYS  18  14.585   0.778  11.260
   85   2HZ   LYS  18          2HZ       LYS  18  14.817  -0.878  10.962
   86   3HZ   LYS  18          3HZ       LYS  18  13.261  -0.203  10.859
   87    H    VAL  19           H        VAL  19  13.283  -3.610   3.574
   88    HA   VAL  19           HA       VAL  19  11.810  -5.907   4.518
   89    HB   VAL  19           HB       VAL  19  12.616  -4.928   1.764
   90   1HG1  VAL  19          1HG1      VAL  19  11.356  -7.413   2.644
   91   2HG1  VAL  19          2HG1      VAL  19  11.941  -6.964   1.039
   92   3HG1  VAL  19          3HG1      VAL  19  10.317  -6.499   1.546
   93   1HG2  VAL  19          1HG2      VAL  19  11.109  -3.499   3.211
   94   2HG2  VAL  19          2HG2      VAL  19   9.954  -4.832   3.211
   95   3HG2  VAL  19          3HG2      VAL  19  10.373  -4.029   1.698
   96    H    LEU  20           H        LEU  20  14.957  -5.593   2.844
   97    HA   LEU  20           HA       LEU  20  15.406  -8.398   2.357
   98   1HB   LEU  20          1HB       LEU  20  17.717  -7.726   2.064
   99   2HB   LEU  20          2HB       LEU  20  17.491  -6.303   3.078
  100    HG   LEU  20           HG       LEU  20  15.715  -5.620   1.322
  101   1HD1  LEU  20          1HD1      LEU  20  17.960  -4.554   1.717
  102   2HD1  LEU  20          2HD1      LEU  20  17.397  -4.439   0.049
  103   3HD1  LEU  20          3HD1      LEU  20  18.625  -5.628   0.485
  104   1HD2  LEU  20          1HD2      LEU  20  15.542  -7.629   0.036
  105   2HD2  LEU  20          2HD2      LEU  20  17.294  -7.751  -0.132
  106   3HD2  LEU  20          3HD2      LEU  20  16.412  -6.485  -0.985
  107    H    GLU  21           H        GLU  21  15.939  -6.198   5.015
  108    HA   GLU  21           HA       GLU  21  17.295  -7.974   6.806
  109   2HB   GLU  21          1HB       GLU  21  15.391  -5.833   7.702
  110   1HB   GLU  21          2HB       GLU  21  16.822  -5.373   6.781
  111   2HG   GLU  21          1HG       GLU  21  17.574  -5.259   9.007
  112   1HG   GLU  21          2HG       GLU  21  18.109  -6.859   8.497
  113    H    LEU  22           H        LEU  22  13.847  -7.352   6.129
  114    HA   LEU  22           HA       LEU  22  12.858  -9.002   8.328
  115   2HB   LEU  22          1HB       LEU  22  10.699  -8.695   7.068
  116   1HB   LEU  22          2HB       LEU  22  11.610  -7.926   5.774
  117    HG   LEU  22           HG       LEU  22  11.801  -5.965   6.905
  118   1HD1  LEU  22          1HD1      LEU  22   9.396  -6.533   7.098
  119   2HD1  LEU  22          2HD1      LEU  22   9.943  -5.526   8.438
  120   3HD1  LEU  22          3HD1      LEU  22   9.708  -7.258   8.675
  121   1HD2  LEU  22          1HD2      LEU  22  12.018  -5.961   9.499
  122   2HD2  LEU  22          2HD2      LEU  22  13.382  -6.559   8.556
  123   3HD2  LEU  22          3HD2      LEU  22  12.281  -7.695   9.331
  124    H    ASN  23           H        ASN  23  13.883  -9.569   5.028
  125    HA   ASN  23           HA       ASN  23  12.630 -12.234   4.856
  126   2HB   ASN  23          1HB       ASN  23  14.190 -12.183   2.741
  127   1HB   ASN  23          2HB       ASN  23  14.405 -10.484   3.163
  128   1HD2  ASN  23          1HD2      ASN  23  12.834  -9.094   2.324
  129   2HD2  ASN  23          2HD2      ASN  23  11.293  -9.575   1.797
  130    H    ALA  24           H        ALA  24  15.472 -10.915   6.244
  131    HA   ALA  24           HA       ALA  24  17.128 -13.295   5.901
  132   1HB   ALA  24          1HB       ALA  24  18.743 -11.912   7.171
  133   2HB   ALA  24          2HB       ALA  24  17.469 -10.729   7.471
  134   3HB   ALA  24          3HB       ALA  24  18.048 -11.003   5.827
  135    H    LYS  25           H        LYS  25  15.266 -11.633   8.430
  136    HA   LYS  25           HA       LYS  25  15.923 -13.798  10.377
  137   1HB   LYS  25          1HB       LYS  25  15.117 -12.215  12.017
  138   2HB   LYS  25          2HB       LYS  25  14.366 -11.227  10.766
  139   1HG   LYS  25          1HG       LYS  25  16.542 -10.299  11.632
  140   2HG   LYS  25          2HG       LYS  25  16.523 -10.572   9.892
  141   2HD   LYS  25          1HD       LYS  25  17.515 -12.911  10.495
  142   1HD   LYS  25          2HD       LYS  25  17.917 -12.160  12.039
  143   1HE   LYS  25          1HE       LYS  25  18.646 -10.758   9.469
  144   2HE   LYS  25          2HE       LYS  25  19.678 -12.060  10.089
  145   1HZ   LYS  25          1HZ       LYS  25  18.769  -9.656  11.601
  146   2HZ   LYS  25          2HZ       LYS  25  20.341  -9.927  11.020
  147   3HZ   LYS  25          3HZ       LYS  25  19.705 -10.917  12.245
  148    H    GLY  26           H        GLY  26  13.350 -12.495   8.407
  149   2HA   GLY  26          1HA       GLY  26  11.577 -14.721   9.265
  150   1HA   GLY  26          2HA       GLY  26  11.383 -13.757   7.800
  151    H    GLU  27           H        GLU  27  11.823 -11.211   9.298
  152    HA   GLU  27           HA       GLU  27   9.699 -11.028  11.312
  153   2HB   GLU  27          1HB       GLU  27  10.327  -8.603  11.187
  154   1HB   GLU  27          2HB       GLU  27  11.376  -8.984   9.825
  155   2HG   GLU  27          1HG       GLU  27  12.363 -10.779  11.512
  156   1HG   GLU  27          2HG       GLU  27  11.694  -9.683  12.722
  157    H    LYS  28           H        LYS  28   7.558 -10.714  10.836
  158    HA   LYS  28           HA       LYS  28   6.823  -9.805   8.080
  159   2HB   LYS  28          1HB       LYS  28   4.562 -10.809   8.964
  160   1HB   LYS  28          2HB       LYS  28   5.573 -11.526  10.217
  161   2HG   LYS  28          1HG       LYS  28   6.840 -12.761   8.635
  162   1HG   LYS  28          2HG       LYS  28   6.262 -11.782   7.286
  163   2HD   LYS  28          1HD       LYS  28   3.950 -12.670   7.724
  164   1HD   LYS  28          2HD       LYS  28   4.645 -13.748   8.936
  165   2HE   LYS  28          1HE       LYS  28   4.629 -15.116   7.015
  166   1HE   LYS  28          2HE       LYS  28   6.265 -14.432   6.949
  167   1HZ   LYS  28          1HZ       LYS  28   5.408 -12.647   5.548
  168   2HZ   LYS  28          2HZ       LYS  28   3.845 -13.309   5.618
  169   3HZ   LYS  28          3HZ       LYS  28   5.093 -14.152   4.834
  170    H    ARG  29           H        ARG  29   7.543  -7.620   9.301
  171    HA   ARG  29           HA       ARG  29   5.182  -6.472  10.743
  172   2HB   ARG  29          1HB       ARG  29   7.747  -4.999  10.634
  173   1HB   ARG  29          2HB       ARG  29   7.846  -6.582  11.399
  174   1HG   ARG  29          1HG       ARG  29   5.564  -4.804  12.161
  175   2HG   ARG  29          2HG       ARG  29   7.163  -4.407  12.789
  176   2HD   ARG  29          1HD       ARG  29   6.302  -5.872  14.438
  177   1HD   ARG  29          2HD       ARG  29   7.251  -6.968  13.417
  178    HE   ARG  29           HE       ARG  29   5.199  -7.841  12.537
  179   1HH1  ARG  29          1HH1      ARG  29   3.550  -5.654  11.800
  180   2HH1  ARG  29          2HH1      ARG  29   2.350  -5.545  13.045
  181   1HH2  ARG  29          1HH2      ARG  29   4.158  -7.448  15.322
  182   2HH2  ARG  29          2HH2      ARG  29   2.695  -6.563  15.043
  183    H    LEU  30           H        LEU  30   6.088  -3.735  10.222
  184    HA   LEU  30           HA       LEU  30   5.385  -3.537   7.321
  185   1HB   LEU  30          1HB       LEU  30   4.004  -2.703   9.591
  186   2HB   LEU  30          2HB       LEU  30   3.702  -2.149   7.951
  187    HG   LEU  30           HG       LEU  30   5.710  -0.473   8.557
  188   1HD1  LEU  30          1HD1      LEU  30   2.794  -0.379   8.701
  189   2HD1  LEU  30          2HD1      LEU  30   3.924   0.787   8.012
  190   3HD1  LEU  30          3HD1      LEU  30   3.562   0.822   9.738
  191   1HD2  LEU  30          1HD2      LEU  30   4.314  -0.858  11.218
  192   2HD2  LEU  30          2HD2      LEU  30   5.699   0.176  10.868
  193   3HD2  LEU  30          3HD2      LEU  30   5.882  -1.578  10.852
  194    H    ILE  31           H        ILE  31   6.481  -1.967   6.078
  195    HA   ILE  31           HA       ILE  31   8.897  -0.731   7.367
  196    HB   ILE  31           HB       ILE  31   8.435  -1.812   4.563
  197   1HG2  ILE  31          1HG2      ILE  31  10.489  -0.966   3.913
  198   2HG2  ILE  31          2HG2      ILE  31  11.135  -1.003   5.554
  199   3HG2  ILE  31          3HG2      ILE  31  10.033   0.285   5.072
  200   1HG1  ILE  31          1HG1      ILE  31   9.429  -2.942   7.059
  201   2HG1  ILE  31          2HG1      ILE  31  10.643  -3.042   5.782
  202   1HD1  ILE  31          1HD1      ILE  31   9.341  -5.030   5.583
  203   2HD1  ILE  31          2HD1      ILE  31   8.772  -3.969   4.295
  204   3HD1  ILE  31          3HD1      ILE  31   7.827  -4.146   5.773
  205    H    LYS  32           H        LYS  32   8.597   1.447   7.523
  206    HA   LYS  32           HA       LYS  32   6.623   2.900   5.951
  207   2HB   LYS  32          1HB       LYS  32   7.528   4.822   7.246
  208   1HB   LYS  32          2HB       LYS  32   8.854   3.805   7.805
  209   1HG   LYS  32          1HG       LYS  32   6.953   4.012   9.448
  210   2HG   LYS  32          2HG       LYS  32   7.327   2.351   8.991
  211   2HD   LYS  32          1HD       LYS  32   5.366   2.090   7.829
  212   1HD   LYS  32          2HD       LYS  32   5.319   3.778   7.318
  213   2HE   LYS  32          1HE       LYS  32   4.822   4.329   9.797
  214   1HE   LYS  32          2HE       LYS  32   4.476   2.598   9.977
  215   1HZ   LYS  32          1HZ       LYS  32   2.934   2.763   8.114
  216   2HZ   LYS  32          2HZ       LYS  32   3.276   4.418   7.943
  217   3HZ   LYS  32          3HZ       LYS  32   2.487   3.851   9.335
  218    H    THR  33           H        THR  33   7.094   4.622   4.433
  219    HA   THR  33           HA       THR  33   9.861   4.626   3.269
  220    HB   THR  33           HB       THR  33   7.193   4.385   1.838
  221    HG1  THR  33          1HG       THR  33   7.591   2.363   2.181
  222   1HG2  THR  33          1HG2      THR  33   9.929   5.073   0.932
  223   2HG2  THR  33          2HG2      THR  33   8.370   5.483   0.221
  224   3HG2  THR  33          3HG2      THR  33   9.068   3.885  -0.044
  225    H    TRP  34           H        TRP  34  10.328   6.635   2.033
  226    HA   TRP  34           HA       TRP  34   8.398   8.887   2.376
  227   1HB   TRP  34          1HB       TRP  34  10.058  10.230   3.536
  228   2HB   TRP  34          2HB       TRP  34  11.277   8.977   3.326
  229    HD1  TRP  34           HD       TRP  34   8.134   9.794   5.316
  230    HE3  TRP  34          3HE       TRP  34  11.979   6.655   4.195
  231    HE1  TRP  34          1HE       TRP  34   8.007   8.210   7.348
  232    HZ3  TRP  34          3HZ       TRP  34  12.557   4.770   5.702
  233    HZ2  TRP  34          2HZ       TRP  34   9.378   5.902   8.362
  234    HH2  TRP  34           HH       TRP  34  11.259   4.389   7.781
  235    H    SER  35           H        SER  35   9.368   7.517  -0.039
  236    HA   SER  35           HA       SER  35  11.316   9.421  -1.233
  237   1HB   SER  35          1HB       SER  35  11.570   6.973  -1.465
  238   2HB   SER  35          2HB       SER  35  11.355   7.737  -3.034
  239    HG   SER  35           HG       SER  35   9.663   6.055  -1.643
  240    H    ARG  36           H        ARG  36   9.776   8.541  -3.899
  241    HA   ARG  36           HA       ARG  36   7.616  10.614  -3.726
  242   2HB   ARG  36          1HB       ARG  36   8.552  10.993  -6.218
  243   1HB   ARG  36          2HB       ARG  36  10.028  10.383  -5.472
  244   2HG   ARG  36          1HG       ARG  36   9.954  12.118  -3.779
  245   1HG   ARG  36          2HG       ARG  36   8.369  12.653  -4.336
  246   2HD   ARG  36          1HD       ARG  36   9.363  13.288  -6.523
  247   1HD   ARG  36          2HD       ARG  36  10.957  12.771  -5.936
  248    HE   ARG  36           HE       ARG  36   9.360  15.044  -4.813
  249   1HH1  ARG  36          1HH1      ARG  36  11.060  13.933  -2.704
  250   2HH1  ARG  36          2HH1      ARG  36  12.568  14.758  -2.923
  251   1HH2  ARG  36          1HH2      ARG  36  11.826  15.810  -6.152
  252   2HH2  ARG  36          2HH2      ARG  36  13.002  15.824  -4.880
  253    H    ARG  37           H        ARG  37   8.957   8.343  -6.178
  254    HA   ARG  37           HA       ARG  37   6.172   7.547  -6.898
  255   2HB   ARG  37          1HB       ARG  37   7.452   6.486  -8.836
  256   1HB   ARG  37          2HB       ARG  37   8.908   7.219  -8.162
  257   1HG   ARG  37          1HG       ARG  37   6.810   9.190  -8.283
  258   2HG   ARG  37          2HG       ARG  37   6.987   8.431  -9.864
  259   1HD   ARG  37          1HD       ARG  37   9.355   9.473  -8.275
  260   2HD   ARG  37          2HD       ARG  37   8.495  10.448  -9.482
  261    HE   ARG  37           HE       ARG  37   8.969   8.251 -10.949
  262   1HH1  ARG  37          1HH1      ARG  37  10.894   9.820 -11.958
  263   2HH1  ARG  37          2HH1      ARG  37  12.411   9.348 -11.267
  264   1HH2  ARG  37          1HH2      ARG  37  10.971   7.631  -8.611
  265   2HH2  ARG  37          2HH2      ARG  37  12.455   8.104  -9.369
  266    H    SER  38           H        SER  38   7.189   6.598  -4.402
  267    HA   SER  38           HA       SER  38   8.474   4.209  -4.091
  268   2HB   SER  38          1HB       SER  38   6.246   3.857  -2.526
  269   1HB   SER  38          2HB       SER  38   6.175   5.589  -2.863
  270    HG   SER  38           HG       SER  38   8.392   4.162  -1.838
  271    H    THR  39           H        THR  39   8.329   2.229  -4.958
  272    HA   THR  39           HA       THR  39   5.674   1.216  -5.899
  273    HB   THR  39           HB       THR  39   8.400   0.927  -7.210
  274    HG1  THR  39          1HG       THR  39   7.591   2.855  -7.786
  275   1HG2  THR  39          1HG2      THR  39   6.714  -0.064  -9.038
  276   2HG2  THR  39          2HG2      THR  39   5.781  -0.469  -7.597
  277   3HG2  THR  39          3HG2      THR  39   7.422  -1.090  -7.791
  278    H    ILE  40           H        ILE  40   5.473  -1.128  -5.718
  279    HA   ILE  40           HA       ILE  40   6.982  -2.184  -3.408
  280    HB   ILE  40           HB       ILE  40   4.731  -3.264  -5.119
  281   1HG2  ILE  40          1HG2      ILE  40   5.752  -4.187  -2.430
  282   2HG2  ILE  40          2HG2      ILE  40   5.961  -5.054  -3.953
  283   3HG2  ILE  40          3HG2      ILE  40   4.348  -4.833  -3.281
  284   1HG1  ILE  40          1HG1      ILE  40   4.909  -1.531  -2.688
  285   2HG1  ILE  40          2HG1      ILE  40   3.590  -2.698  -2.764
  286   1HD1  ILE  40          1HD1      ILE  40   2.600  -0.894  -3.827
  287   2HD1  ILE  40          2HD1      ILE  40   3.320  -1.708  -5.219
  288   3HD1  ILE  40          3HD1      ILE  40   4.126  -0.316  -4.493
  289    H    VAL  41           H        VAL  41   7.749  -4.521  -3.517
  290    HA   VAL  41           HA       VAL  41   8.863  -5.303  -6.189
  291    HB   VAL  41           HB       VAL  41  10.855  -6.027  -4.413
  292   1HG1  VAL  41          1HG1      VAL  41  11.244  -5.058  -6.599
  293   2HG1  VAL  41          2HG1      VAL  41  12.091  -4.072  -5.407
  294   3HG1  VAL  41          3HG1      VAL  41  10.564  -3.513  -6.090
  295   1HG2  VAL  41          1HG2      VAL  41  11.332  -3.697  -3.322
  296   2HG2  VAL  41          2HG2      VAL  41  10.217  -4.793  -2.518
  297   3HG2  VAL  41          3HG2      VAL  41   9.596  -3.446  -3.469
  298    HA   PRO  42           HA       PRO  42   7.856  -9.409  -5.217
  299   2HB   PRO  42          1HB       PRO  42   9.112 -10.112  -7.009
  300   1HB   PRO  42          2HB       PRO  42  10.141 -10.815  -5.747
  301   1HG   PRO  42          1HG       PRO  42  11.127  -9.120  -7.527
  302   2HG   PRO  42          2HG       PRO  42  11.638  -9.056  -5.830
  303   2HD   PRO  42          1HD       PRO  42   9.748  -7.283  -7.322
  304   1HD   PRO  42          2HD       PRO  42  10.950  -6.870  -6.078
  305    H    GLU  43           H        GLU  43  10.860  -8.304  -3.707
  306    HA   GLU  43           HA       GLU  43  11.021 -10.358  -1.701
  307   1HB   GLU  43          1HB       GLU  43  12.873  -8.864  -2.477
  308   2HB   GLU  43          2HB       GLU  43  12.689  -8.865  -0.724
  309   2HG   GLU  43          1HG       GLU  43  11.330  -6.777  -0.904
  310   1HG   GLU  43          2HG       GLU  43  11.628  -6.763  -2.642
  311    H    MET  44           H        MET  44   8.739  -7.890  -2.107
  312    HA   MET  44           HA       MET  44   8.326  -7.359   0.768
  313   1HB   MET  44          1HB       MET  44   6.694  -5.756  -0.090
  314   2HB   MET  44          2HB       MET  44   6.839  -6.449  -1.704
  315   2HG   MET  44          1HG       MET  44   8.553  -5.040  -2.090
  316   1HG   MET  44          2HG       MET  44   9.476  -5.878  -0.852
  317   1HE   MET  44          1HE       MET  44   6.618  -3.090  -1.283
  318   2HE   MET  44          2HE       MET  44   8.136  -2.845  -2.140
  319   3HE   MET  44          3HE       MET  44   7.694  -1.766  -0.821
  320    H    VAL  45           H        VAL  45   7.441  -9.831  -1.302
  321    HA   VAL  45           HA       VAL  45   4.707 -10.301  -1.048
  322    HB   VAL  45           HB       VAL  45   6.216 -11.523  -2.485
  323   1HG1  VAL  45          1HG1      VAL  45   8.256 -11.602  -1.294
  324   2HG1  VAL  45          2HG1      VAL  45   7.732 -13.285  -1.352
  325   3HG1  VAL  45          3HG1      VAL  45   7.502 -12.342   0.120
  326   1HG2  VAL  45          1HG2      VAL  45   4.169 -12.696  -1.164
  327   2HG2  VAL  45          2HG2      VAL  45   5.488 -13.743  -0.647
  328   3HG2  VAL  45          3HG2      VAL  45   5.143 -13.542  -2.364
  329    H    GLY  46           H        GLY  46   6.446  -9.854   1.761
  330   2HA   GLY  46          1HA       GLY  46   6.194 -11.824   3.564
  331   1HA   GLY  46          2HA       GLY  46   4.493 -11.478   3.266
  332    H    HIS  47           H        HIS  47   5.063  -8.546   2.863
  333    HA   HIS  47           HA       HIS  47   5.187  -7.827   5.749
  334   1HB   HIS  47          1HB       HIS  47   7.019  -6.363   5.497
  335   2HB   HIS  47          2HB       HIS  47   6.833  -6.287   3.750
  336    HD1  HIS  47          1HD       HIS  47   8.336  -8.371   6.475
  337    HD2  HIS  47          2HD       HIS  47   7.986  -8.479   2.321
  338    HE1  HIS  47          1HE       HIS  47   9.942 -10.156   5.666
  339    H    THR  48           H        THR  48   4.306  -5.710   6.191
  340    HA   THR  48           HA       THR  48   2.468  -4.679   4.085
  341    HB   THR  48           HB       THR  48   2.338  -3.647   6.866
  342    HG1  THR  48          1HG       THR  48   2.506  -5.539   7.738
  343   1HG2  THR  48          1HG2      THR  48   0.131  -5.087   5.455
  344   2HG2  THR  48          2HG2      THR  48   0.660  -3.525   4.833
  345   3HG2  THR  48          3HG2      THR  48   0.057  -3.657   6.484
  346    H    ILE  49           H        ILE  49   4.060  -3.474   2.947
  347    HA   ILE  49           HA       ILE  49   5.772  -1.603   4.450
  348    HB   ILE  49           HB       ILE  49   5.445  -2.371   1.544
  349   1HG2  ILE  49          1HG2      ILE  49   7.242  -0.945   0.970
  350   2HG2  ILE  49          2HG2      ILE  49   7.701  -0.698   2.655
  351   3HG2  ILE  49          3HG2      ILE  49   6.242   0.060   2.017
  352   1HG1  ILE  49          1HG1      ILE  49   6.957  -3.310   3.861
  353   2HG1  ILE  49          2HG1      ILE  49   8.010  -2.940   2.495
  354   1HD1  ILE  49          1HD1      ILE  49   7.357  -5.226   2.236
  355   2HD1  ILE  49          2HD1      ILE  49   6.402  -4.314   1.069
  356   3HD1  ILE  49          3HD1      ILE  49   5.669  -4.852   2.579
  357    H    ALA  50           H        ALA  50   5.129   0.400   4.963
  358    HA   ALA  50           HA       ALA  50   2.768   1.588   3.748
  359   1HB   ALA  50          1HB       ALA  50   4.799   2.592   5.746
  360   2HB   ALA  50          2HB       ALA  50   3.241   1.851   6.112
  361   3HB   ALA  50          3HB       ALA  50   3.301   3.436   5.337
  362    H    VAL  51           H        VAL  51   3.546   1.611   1.561
  363    HA   VAL  51           HA       VAL  51   5.877   2.997   0.656
  364    HB   VAL  51           HB       VAL  51   4.727   2.941  -1.520
  365   1HG1  VAL  51          1HG1      VAL  51   3.842   0.423  -0.142
  366   2HG1  VAL  51          2HG1      VAL  51   5.561   0.806  -0.247
  367   3HG1  VAL  51          3HG1      VAL  51   4.608   0.620  -1.718
  368   1HG2  VAL  51          1HG2      VAL  51   2.513   3.698  -0.911
  369   2HG2  VAL  51          2HG2      VAL  51   2.283   2.320   0.167
  370   3HG2  VAL  51          3HG2      VAL  51   2.350   2.074  -1.578
  371    H    TYR  52           H        TYR  52   6.275   5.170   0.340
  372    HA   TYR  52           HA       TYR  52   4.355   7.104   1.407
  373   2HB   TYR  52          1HB       TYR  52   6.965   7.611  -0.053
  374   1HB   TYR  52          2HB       TYR  52   6.904   7.112   1.635
  375    HD1  TYR  52          1HD       TYR  52   4.832   8.527   2.909
  376    HE1  TYR  52          1HE       TYR  52   4.442  10.875   3.598
  377    HE2  TYR  52          2HE       TYR  52   6.967  12.233   0.401
  378    HD2  TYR  52          2HD       TYR  52   7.355   9.883  -0.284
  379    HH   TYR  52           HH       TYR  52   5.022  13.468   1.711
  380    H    ASN  53           H        ASN  53   2.605   7.506   0.088
  381    HA   ASN  53           HA       ASN  53   2.687   7.407  -2.811
  382   2HB   ASN  53          1HB       ASN  53   0.759   8.491  -0.737
  383   1HB   ASN  53          2HB       ASN  53   0.664   6.946  -1.578
  384   1HD2  ASN  53          1HD2      ASN  53  -0.172  10.320  -1.762
  385   2HD2  ASN  53          2HD2      ASN  53  -0.874  10.274  -3.307
  386    H    GLY  54           H        GLY  54   4.013   9.643  -0.715
  387   2HA   GLY  54          1HA       GLY  54   3.634  11.913  -2.622
  388   1HA   GLY  54          2HA       GLY  54   5.191  11.560  -1.863
  389    H    LYS  55           H        LYS  55   2.299  11.012  -0.052
  390    HA   LYS  55           HA       LYS  55   2.969  13.288   1.750
  391   2HB   LYS  55          1HB       LYS  55   1.215  14.257   0.552
  392   1HB   LYS  55          2HB       LYS  55   0.343  13.477   1.868
  393   2HG   LYS  55          1HG       LYS  55   0.121  11.446   0.314
  394   1HG   LYS  55          2HG       LYS  55   0.644  12.523  -0.982
  395   2HD   LYS  55          1HD       LYS  55  -1.283  14.048   0.206
  396   1HD   LYS  55          2HD       LYS  55  -1.928  12.429   0.484
  397   2HE   LYS  55          1HE       LYS  55  -1.737  11.938  -1.937
  398   1HE   LYS  55          2HE       LYS  55  -1.077  13.562  -2.212
  399   1HZ   LYS  55          1HZ       LYS  55  -3.717  12.927  -0.981
  400   2HZ   LYS  55          2HZ       LYS  55  -3.482  13.513  -2.558
  401   3HZ   LYS  55          3HZ       LYS  55  -3.093  14.487  -1.221
  402    H    GLN  56           H        GLN  56   1.475  10.107   1.297
  403    HA   GLN  56           HA       GLN  56   1.421   9.775   4.273
  404   1HB   GLN  56          1HB       GLN  56  -0.684  10.016   2.467
  405   2HB   GLN  56          2HB       GLN  56  -0.797   9.452   4.130
  406   1HG   GLN  56          1HG       GLN  56   0.096   7.297   2.429
  407   2HG   GLN  56          2HG       GLN  56  -1.376   8.000   1.779
  408   1HE2  GLN  56          1HE2      GLN  56  -0.042   6.974   4.984
  409   2HE2  GLN  56          2HE2      GLN  56  -1.510   6.339   5.551
  410    H    HIS  57           H        HIS  57   1.732   7.637   5.048
  411    HA   HIS  57           HA       HIS  57   3.277   5.849   3.230
  412   1HB   HIS  57          1HB       HIS  57   4.280   5.061   5.223
  413   2HB   HIS  57          2HB       HIS  57   2.910   5.533   6.214
  414    HD1  HIS  57          1HD       HIS  57   5.695   7.176   4.193
  415    HD2  HIS  57          2HD       HIS  57   3.212   7.990   7.439
  416    HE1  HIS  57          1HE       HIS  57   6.433   9.412   5.119
  417    H    VAL  58           H        VAL  58   1.853   4.384   2.251
  418    HA   VAL  58           HA       VAL  58  -0.528   3.439   3.776
  419    HB   VAL  58           HB       VAL  58   0.321   2.978   0.894
  420   1HG1  VAL  58          1HG1      VAL  58  -2.480   2.942   2.009
  421   2HG1  VAL  58          2HG1      VAL  58  -1.468   1.499   2.061
  422   3HG1  VAL  58          3HG1      VAL  58  -1.883   2.231   0.511
  423   1HG2  VAL  58          1HG2      VAL  58  -1.440   5.128   2.121
  424   2HG2  VAL  58          2HG2      VAL  58  -1.304   4.822   0.390
  425   3HG2  VAL  58          3HG2      VAL  58   0.101   5.380   1.299
  426    HA   PRO  59           HA       PRO  59   2.310  -0.070   4.603
  427   2HB   PRO  59          1HB       PRO  59   2.050   0.298   6.880
  428   1HB   PRO  59          2HB       PRO  59   0.864  -1.016   6.740
  429   1HG   PRO  59          1HG       PRO  59   0.177   1.369   7.695
  430   2HG   PRO  59          2HG       PRO  59  -0.921   0.451   6.649
  431   2HD   PRO  59          1HD       PRO  59   0.786   2.819   6.010
  432   1HD   PRO  59          2HD       PRO  59  -0.843   2.414   5.432
  433    H    VAL  60           H        VAL  60   1.697  -1.066   2.706
  434    HA   VAL  60           HA       VAL  60  -0.862  -2.600   2.647
  435    HB   VAL  60           HB       VAL  60  -0.179  -2.845   0.213
  436   1HG1  VAL  60          1HG1      VAL  60  -0.638  -0.406  -0.297
  437   2HG1  VAL  60          2HG1      VAL  60  -0.541  -0.103   1.436
  438   3HG1  VAL  60          3HG1      VAL  60  -1.795  -1.163   0.797
  439   1HG2  VAL  60          1HG2      VAL  60   1.853  -0.705   0.861
  440   2HG2  VAL  60          2HG2      VAL  60   1.613  -1.544  -0.670
  441   3HG2  VAL  60          3HG2      VAL  60   2.282  -2.410   0.712
  442    H    TYR  61           H        TYR  61  -0.789  -4.787   3.055
  443    HA   TYR  61           HA       TYR  61   1.757  -6.192   3.313
  444   2HB   TYR  61          1HB       TYR  61  -0.895  -7.582   2.987
  445   1HB   TYR  61          2HB       TYR  61  -0.646  -6.575   4.414
  446    HD1  TYR  61          1HD       TYR  61   0.399  -7.514   6.286
  447    HE1  TYR  61          1HE       TYR  61   1.740  -9.321   7.326
  448    HE2  TYR  61          2HE       TYR  61   2.421 -11.047   3.450
  449    HD2  TYR  61          2HD       TYR  61   1.084  -9.237   2.413
  450    HH   TYR  61           HH       TYR  61   3.789 -10.957   6.221
  451    H    ILE  62           H        ILE  62   2.848  -6.295   1.392
  452    HA   ILE  62           HA       ILE  62   1.811  -6.297  -1.204
  453    HB   ILE  62           HB       ILE  62   4.337  -7.175   0.110
  454   1HG2  ILE  62          1HG2      ILE  62   4.412  -8.727  -1.656
  455   2HG2  ILE  62          2HG2      ILE  62   5.232  -7.326  -2.339
  456   3HG2  ILE  62          3HG2      ILE  62   3.552  -7.653  -2.757
  457   1HG1  ILE  62          1HG1      ILE  62   3.440  -4.974  -1.730
  458   2HG1  ILE  62          2HG1      ILE  62   5.146  -5.358  -1.527
  459   1HD1  ILE  62          1HD1      ILE  62   4.441  -5.244   1.060
  460   2HD1  ILE  62          2HD1      ILE  62   3.254  -4.125   0.386
  461   3HD1  ILE  62          3HD1      ILE  62   4.974  -3.829   0.147
  462    H    THR  63           H        THR  63   3.135  -9.242   0.349
  463    HA   THR  63           HA       THR  63   2.568 -11.513   0.028
  464    HB   THR  63           HB       THR  63   0.065 -10.566  -1.383
  465    HG1  THR  63          1HG       THR  63  -0.471  -9.503   0.326
  466   1HG2  THR  63          1HG2      THR  63   0.900 -12.908   0.303
  467   2HG2  THR  63          2HG2      THR  63   0.111 -12.900  -1.275
  468   3HG2  THR  63          3HG2      THR  63  -0.805 -12.477   0.172
  469    H    GLU  64           H        GLU  64   2.051 -13.016  -2.035
  470    HA   GLU  64           HA       GLU  64   3.735 -11.943  -4.205
  471   2HB   GLU  64          1HB       GLU  64   2.353 -14.582  -4.414
  472   1HB   GLU  64          2HB       GLU  64   3.443 -14.376  -3.043
  473   2HG   GLU  64          1HG       GLU  64   4.973 -15.091  -4.615
  474   1HG   GLU  64          2HG       GLU  64   5.022 -13.360  -4.955
  475    H    ASN  65           H        ASN  65   1.601 -10.300  -4.343
  476    HA   ASN  65           HA       ASN  65   0.343 -10.936  -6.884
  477   2HB   ASN  65          1HB       ASN  65  -1.696 -10.725  -4.735
  478   1HB   ASN  65          2HB       ASN  65  -0.773 -12.226  -4.795
  479   1HD2  ASN  65          1HD2      ASN  65  -3.032 -10.174  -6.628
  480   2HD2  ASN  65          2HD2      ASN  65  -3.435 -11.355  -7.779
  481    H    MET  66           H        MET  66   0.503  -8.763  -4.060
  482    HA   MET  66           HA       MET  66  -1.124  -6.698  -5.426
  483   1HB   MET  66          1HB       MET  66  -0.791  -5.513  -3.321
  484   2HB   MET  66          2HB       MET  66   0.411  -6.698  -2.820
  485   2HG   MET  66          1HG       MET  66  -1.296  -7.854  -1.890
  486   1HG   MET  66          2HG       MET  66  -1.826  -8.227  -3.530
  487   1HE   MET  66          1HE       MET  66  -3.314  -5.100  -0.598
  488   2HE   MET  66          2HE       MET  66  -1.753  -5.917  -0.663
  489   3HE   MET  66          3HE       MET  66  -3.195  -6.823  -0.215
  490    H    VAL  67           H        VAL  67   2.263  -7.458  -4.919
  491    HA   VAL  67           HA       VAL  67   3.399  -4.864  -5.388
  492    HB   VAL  67           HB       VAL  67   4.675  -6.643  -4.377
  493   1HG1  VAL  67          1HG1      VAL  67   5.319  -8.574  -6.110
  494   2HG1  VAL  67          2HG1      VAL  67   3.748  -8.149  -6.794
  495   3HG1  VAL  67          3HG1      VAL  67   3.866  -8.687  -5.117
  496   1HG2  VAL  67          1HG2      VAL  67   6.662  -6.691  -5.835
  497   2HG2  VAL  67          2HG2      VAL  67   5.938  -5.084  -5.835
  498   3HG2  VAL  67          3HG2      VAL  67   5.684  -6.167  -7.201
  499    H    GLY  68           H        GLY  68   4.678  -4.221  -7.303
  500   2HA   GLY  68          1HA       GLY  68   3.605  -5.300  -9.877
  501   1HA   GLY  68          2HA       GLY  68   5.253  -4.717  -9.671
  502    H    HIS  69           H        HIS  69   2.943  -2.744  -8.040
  503    HA   HIS  69           HA       HIS  69   3.012  -0.855 -10.365
  504   2HB   HIS  69          1HB       HIS  69   0.785  -0.129  -9.465
  505   1HB   HIS  69          2HB       HIS  69   0.874  -1.425  -8.283
  506    HD1  HIS  69          1HD       HIS  69  -0.591  -0.788 -11.433
  507    HD2  HIS  69          2HD       HIS  69   1.516  -4.043  -9.886
  508    HE1  HIS  69          1HE       HIS  69  -1.172  -2.776 -12.889
  509    H    LYS  70           H        LYS  70   1.827  -0.278  -7.096
  510    HA   LYS  70           HA       LYS  70   4.089   0.996  -5.970
  511   2HB   LYS  70          1HB       LYS  70   4.092   2.653  -7.634
  512   1HB   LYS  70          2HB       LYS  70   3.172   3.414  -6.340
  513   1HG   LYS  70          1HG       LYS  70   1.636   1.769  -8.278
  514   2HG   LYS  70          2HG       LYS  70   2.277   3.294  -8.875
  515   2HD   LYS  70          1HD       LYS  70   1.267   4.158  -6.541
  516   1HD   LYS  70          2HD       LYS  70   0.198   2.779  -6.797
  517   1HE   LYS  70          1HE       LYS  70   0.546   4.313  -9.258
  518   2HE   LYS  70          2HE       LYS  70  -0.091   5.322  -7.945
  519   1HZ   LYS  70          1HZ       LYS  70  -1.741   3.614  -7.487
  520   2HZ   LYS  70          2HZ       LYS  70  -1.116   2.633  -8.726
  521   3HZ   LYS  70          3HZ       LYS  70  -1.865   4.110  -9.105
  522    H    LEU  71           H        LEU  71   0.681   0.872  -6.292
  523    HA   LEU  71           HA       LEU  71   0.009   0.404  -3.590
  524   1HB   LEU  71          1HB       LEU  71   0.971   2.846  -3.597
  525   2HB   LEU  71          2HB       LEU  71  -0.494   2.515  -2.686
  526    HG   LEU  71           HG       LEU  71  -0.927   3.261  -5.518
  527   1HD1  LEU  71          1HD1      LEU  71  -2.510   4.869  -4.094
  528   2HD1  LEU  71          2HD1      LEU  71  -2.160   3.691  -2.828
  529   3HD1  LEU  71          3HD1      LEU  71  -2.912   3.169  -4.335
  530   1HD2  LEU  71          1HD2      LEU  71   1.019   4.712  -4.672
  531   2HD2  LEU  71          2HD2      LEU  71  -0.140   5.407  -3.539
  532   3HD2  LEU  71          3HD2      LEU  71  -0.397   5.571  -5.276
  533    H    GLY  72           H        GLY  72  -0.908   1.292  -6.833
  534   2HA   GLY  72          1HA       GLY  72  -2.943   1.214  -7.978
  535   1HA   GLY  72          2HA       GLY  72  -3.752   1.521  -6.442
  536    H    GLU  73           H        GLU  73  -1.602  -1.191  -6.503
  537    HA   GLU  73           HA       GLU  73  -3.696  -3.148  -7.250
  538   2HB   GLU  73          1HB       GLU  73  -1.706  -4.686  -6.501
  539   1HB   GLU  73          2HB       GLU  73  -0.783  -3.183  -6.476
  540   2HG   GLU  73          1HG       GLU  73  -0.630  -3.175  -8.717
  541   1HG   GLU  73          2HG       GLU  73  -2.373  -3.355  -8.890
  542    H    PHE  74           H        PHE  74  -2.499  -1.559  -4.459
  543    HA   PHE  74           HA       PHE  74  -3.608  -3.592  -2.583
  544   1HB   PHE  74          1HB       PHE  74  -2.281  -2.454  -0.940
  545   2HB   PHE  74          2HB       PHE  74  -2.121  -1.025  -1.957
  546    HD1  PHE  74          1HD       PHE  74  -0.733  -1.174  -4.086
  547    HE1  PHE  74          1HE       PHE  74   1.384  -2.058  -5.001
  548    HZ   PHE  74           HZ       PHE  74   2.433  -4.053  -3.969
  549    HE2  PHE  74          2HE       PHE  74   1.370  -5.141  -2.042
  550    HD2  PHE  74          2HD       PHE  74  -0.748  -4.280  -1.130
  551    H    ALA  75           H        ALA  75  -4.225  -0.494  -4.044
  552    HA   ALA  75           HA       ALA  75  -6.652  -0.168  -2.321
  553   1HB   ALA  75          1HB       ALA  75  -6.111   2.320  -2.491
  554   2HB   ALA  75          2HB       ALA  75  -4.548   1.847  -3.159
  555   3HB   ALA  75          3HB       ALA  75  -4.985   1.376  -1.516
  556    HA   PRO  76           HA       PRO  76  -7.431   0.351  -6.910
  557   2HB   PRO  76          1HB       PRO  76  -6.700  -1.715  -7.645
  558   1HB   PRO  76          2HB       PRO  76  -8.424  -2.115  -7.559
  559   1HG   PRO  76          1HG       PRO  76  -6.424  -3.381  -6.153
  560   2HG   PRO  76          2HG       PRO  76  -8.135  -3.381  -5.707
  561   2HD   PRO  76          1HD       PRO  76  -5.916  -2.154  -4.349
  562   1HD   PRO  76          2HD       PRO  76  -7.614  -2.235  -3.840
  563    H    THR  77           H        THR  77  -8.966   1.216  -4.786
  564    HA   THR  77           HA       THR  77 -11.630   0.032  -4.747
  565    HB   THR  77           HB       THR  77 -10.478   1.297  -2.887
  566    HG1  THR  77          1HG       THR  77 -12.519   1.271  -2.394
  567   1HG2  THR  77          1HG2      THR  77 -10.330   3.680  -2.950
  568   2HG2  THR  77          2HG2      THR  77 -11.276   3.770  -4.436
  569   3HG2  THR  77          3HG2      THR  77  -9.638   3.117  -4.471
  570    H    ARG  78           H        ARG  78 -10.055   2.532  -6.660
  571    HA   ARG  78           HA       ARG  78 -12.491   3.797  -7.619
  572   2HB   ARG  78          1HB       ARG  78  -9.803   3.738  -9.000
  573   1HB   ARG  78          2HB       ARG  78 -10.046   4.655  -7.515
  574   1HG   ARG  78          1HG       ARG  78 -11.928   4.987  -9.847
  575   2HG   ARG  78          2HG       ARG  78 -10.400   5.867  -9.796
  576   2HD   ARG  78          1HD       ARG  78 -11.066   6.728  -7.510
  577   1HD   ARG  78          2HD       ARG  78 -12.659   5.989  -7.764
  578    HE   ARG  78           HE       ARG  78 -12.864   7.444  -9.800
  579   1HH1  ARG  78          1HH1      ARG  78 -10.057   8.285 -10.175
  580   2HH1  ARG  78          2HH1      ARG  78 -10.024   9.864  -9.463
  581   1HH2  ARG  78          1HH2      ARG  78 -12.992   9.424  -7.709
  582   2HH2  ARG  78          2HH2      ARG  78 -11.690  10.511  -8.064
  583    H    THR  79           H        THR  79 -10.109   1.695  -9.317
  584    HA   THR  79           HA       THR  79 -12.365   0.400 -10.777
  585    HB   THR  79           HB       THR  79 -10.875   0.740 -12.881
  586    HG1  THR  79          1HG       THR  79  -9.216   1.998 -12.670
  587   1HG2  THR  79          1HG2      THR  79 -12.050   3.267 -11.720
  588   2HG2  THR  79          2HG2      THR  79 -13.059   1.931 -12.272
  589   3HG2  THR  79          3HG2      THR  79 -12.000   2.764 -13.409
  590    H    TYR  80           H        TYR  80  -8.781   0.414 -11.051
  591    HA   TYR  80           HA       TYR  80  -8.732  -2.441 -10.171
  592   2HB   TYR  80          1HB       TYR  80  -7.155  -2.745 -12.226
  593   1HB   TYR  80          2HB       TYR  80  -7.884  -1.252 -12.815
  594    HD1  TYR  80          1HD       TYR  80 -10.010  -1.272 -13.849
  595    HE1  TYR  80          1HE       TYR  80 -11.985  -2.547 -14.637
  596    HE2  TYR  80          2HE       TYR  80 -10.689  -5.958 -12.369
  597    HD2  TYR  80          2HD       TYR  80  -8.714  -4.682 -11.580
  598    HH   TYR  80           HH       TYR  80 -13.277  -4.905 -13.366

  No H/Q in entry =         598
  Start of MODEL   14
    1    H    GLY   8           H        GLY   8  10.233   4.209 -15.471
    2   2HA   GLY   8          1HA       GLY   8   7.285   4.366 -15.191
    3   1HA   GLY   8          2HA       GLY   8   8.372   5.741 -15.395
    4    H    VAL   9           H        VAL   9   7.017   3.462 -13.090
    5    HA   VAL   9           HA       VAL   9   7.390   5.329 -10.888
    6    HB   VAL   9           HB       VAL   9   6.257   3.544  -9.612
    7   1HG1  VAL   9          1HG1      VAL   9   5.008   3.698 -12.359
    8   2HG1  VAL   9          2HG1      VAL   9   5.017   5.065 -11.243
    9   3HG1  VAL   9          3HG1      VAL   9   4.191   3.570 -10.801
   10   1HG2  VAL   9          1HG2      VAL   9   6.892   1.438 -10.210
   11   2HG2  VAL   9          2HG2      VAL   9   7.240   1.910 -11.872
   12   3HG2  VAL   9          3HG2      VAL   9   5.581   1.568 -11.382
   13    H    PHE  10           H        PHE  10   8.735   5.027  -9.039
   14    HA   PHE  10           HA       PHE  10  11.086   3.232  -9.493
   15   1HB   PHE  10          1HB       PHE  10  10.735   5.989  -8.853
   16   2HB   PHE  10          2HB       PHE  10  12.248   5.113  -9.024
   17    HD1  PHE  10          1HD       PHE  10  13.584   4.543  -7.118
   18    HE1  PHE  10          1HE       PHE  10  14.007   4.819  -4.696
   19    HZ   PHE  10           HZ       PHE  10  12.237   5.721  -3.211
   20    HE2  PHE  10          2HE       PHE  10  10.028   6.353  -4.168
   21    HD2  PHE  10          2HD       PHE  10   9.606   6.085  -6.593
   22    H    VAL  11           H        VAL  11  11.806   1.906  -7.755
   23    HA   VAL  11           HA       VAL  11   9.742   1.395  -5.660
   24    HB   VAL  11           HB       VAL  11  10.419  -0.452  -7.189
   25   1HG1  VAL  11          1HG1      VAL  11  12.594  -1.165  -7.478
   26   2HG1  VAL  11          2HG1      VAL  11  13.097  -0.629  -5.876
   27   3HG1  VAL  11          3HG1      VAL  11  12.902   0.544  -7.177
   28   1HG2  VAL  11          1HG2      VAL  11   9.695  -0.933  -4.868
   29   2HG2  VAL  11          2HG2      VAL  11  11.374  -0.834  -4.332
   30   3HG2  VAL  11          3HG2      VAL  11  10.873  -2.113  -5.440
   31    H    ASP  12           H        ASP  12  10.195   2.593  -3.860
   32    HA   ASP  12           HA       ASP  12  12.524   3.857  -3.118
   33   2HB   ASP  12          1HB       ASP  12  10.582   2.463  -1.261
   34   1HB   ASP  12          2HB       ASP  12  10.287   4.019  -2.039
   35    H    ASP  13           H        ASP  13  14.536   3.014  -3.022
   36    HA   ASP  13           HA       ASP  13  15.170   0.287  -2.418
   37   2HB   ASP  13          1HB       ASP  13  17.011   2.663  -2.155
   38   1HB   ASP  13          2HB       ASP  13  16.438   2.137  -3.740
   39    H    HIS  14           H        HIS  14  14.658   3.174  -0.542
   40    HA   HIS  14           HA       HIS  14  16.048   2.471   1.852
   41   2HB   HIS  14          1HB       HIS  14  13.538   4.015   2.073
   42   1HB   HIS  14          2HB       HIS  14  14.631   4.602   0.818
   43    HD1  HIS  14          1HD       HIS  14  14.269   4.270   4.522
   44    HD2  HIS  14          2HD       HIS  14  17.170   5.540   1.811
   45    HE1  HIS  14          1HE       HIS  14  16.032   5.480   5.877
   46    H    LEU  15           H        LEU  15  12.933   1.536   0.531
   47    HA   LEU  15           HA       LEU  15  11.911   0.361   3.005
   48   1HB   LEU  15          1HB       LEU  15  10.919   1.221   0.546
   49   2HB   LEU  15          2HB       LEU  15   9.995   0.351   1.762
   50    HG   LEU  15           HG       LEU  15  11.640  -1.139  -0.282
   51   1HD1  LEU  15          1HD1      LEU  15   9.151  -2.354   0.403
   52   2HD1  LEU  15          2HD1      LEU  15   9.911  -1.819   1.902
   53   3HD1  LEU  15          3HD1      LEU  15  10.774  -2.906   0.815
   54   1HD2  LEU  15          1HD2      LEU  15   9.953   0.571  -1.282
   55   2HD2  LEU  15          2HD2      LEU  15   8.716  -0.521  -0.660
   56   3HD2  LEU  15          3HD2      LEU  15   9.885  -1.098  -1.848
   57    H    LEU  16           H        LEU  16  13.642  -0.662   0.116
   58    HA   LEU  16           HA       LEU  16  13.537  -3.485   0.457
   59   2HB   LEU  16          1HB       LEU  16  15.886  -3.126  -0.780
   60   1HB   LEU  16          2HB       LEU  16  15.248  -1.487  -0.943
   61    HG   LEU  16           HG       LEU  16  13.471  -3.814  -1.550
   62   1HD1  LEU  16          1HD1      LEU  16  12.265  -1.886  -1.744
   63   2HD1  LEU  16          2HD1      LEU  16  12.943  -1.920  -3.374
   64   3HD1  LEU  16          3HD1      LEU  16  13.679  -0.910  -2.130
   65   1HD2  LEU  16          1HD2      LEU  16  14.365  -4.196  -3.665
   66   2HD2  LEU  16          2HD2      LEU  16  15.838  -3.893  -2.745
   67   3HD2  LEU  16          3HD2      LEU  16  15.139  -2.613  -3.737
   68    H    GLU  17           H        GLU  17  15.963  -1.076   1.524
   69    HA   GLU  17           HA       GLU  17  17.812  -2.782   2.795
   70   1HB   GLU  17          1HB       GLU  17  17.419  -0.082   2.458
   71   2HB   GLU  17          2HB       GLU  17  18.703  -0.786   3.436
   72   2HG   GLU  17          1HG       GLU  17  17.306  -0.631   5.437
   73   1HG   GLU  17          2HG       GLU  17  15.961  -0.015   4.478
   74    H    LYS  18           H        LYS  18  14.561  -1.947   3.799
   75    HA   LYS  18           HA       LYS  18  15.028  -3.104   6.514
   76   2HB   LYS  18          1HB       LYS  18  12.554  -2.182   6.662
   77   1HB   LYS  18          2HB       LYS  18  13.013  -1.303   5.205
   78   2HG   LYS  18          1HG       LYS  18  13.532   0.137   7.051
   79   1HG   LYS  18          2HG       LYS  18  15.071  -0.509   6.481
   80   2HD   LYS  18          1HD       LYS  18  14.326  -2.417   8.307
   81   1HD   LYS  18          2HD       LYS  18  13.663  -0.958   9.043
   82   2HE   LYS  18          1HE       LYS  18  15.866  -0.986   9.891
   83   1HE   LYS  18          2HE       LYS  18  16.044   0.054   8.465
   84   1HZ   LYS  18          1HZ       LYS  18  17.690  -1.779   8.545
   85   2HZ   LYS  18          2HZ       LYS  18  16.697  -1.855   7.169
   86   3HZ   LYS  18          3HZ       LYS  18  16.422  -2.902   8.478
   87    H    VAL  19           H        VAL  19  13.219  -3.667   3.496
   88    HA   VAL  19           HA       VAL  19  11.577  -5.803   4.624
   89    HB   VAL  19           HB       VAL  19  11.219  -4.193   2.595
   90   1HG1  VAL  19          1HG1      VAL  19  11.844  -5.136   0.441
   91   2HG1  VAL  19          2HG1      VAL  19  12.591  -6.524   1.234
   92   3HG1  VAL  19          3HG1      VAL  19  13.293  -4.916   1.422
   93   1HG2  VAL  19          1HG2      VAL  19   9.379  -5.497   2.667
   94   2HG2  VAL  19          2HG2      VAL  19  10.319  -6.873   3.255
   95   3HG2  VAL  19          3HG2      VAL  19  10.188  -6.568   1.520
   96    H    LEU  20           H        LEU  20  14.542  -5.684   2.656
   97    HA   LEU  20           HA       LEU  20  14.796  -8.532   2.217
   98   1HB   LEU  20          1HB       LEU  20  17.073  -7.991   1.606
   99   2HB   LEU  20          2HB       LEU  20  17.055  -6.532   2.593
  100    HG   LEU  20           HG       LEU  20  15.143  -5.752   1.056
  101   1HD1  LEU  20          1HD1      LEU  20  17.466  -4.853   1.064
  102   2HD1  LEU  20          2HD1      LEU  20  16.742  -4.833  -0.545
  103   3HD1  LEU  20          3HD1      LEU  20  17.916  -6.079  -0.121
  104   1HD2  LEU  20          1HD2      LEU  20  16.326  -8.028  -0.559
  105   2HD2  LEU  20          2HD2      LEU  20  15.337  -6.747  -1.262
  106   3HD2  LEU  20          3HD2      LEU  20  14.645  -7.836  -0.061
  107    H    GLU  21           H        GLU  21  15.708  -6.253   4.689
  108    HA   GLU  21           HA       GLU  21  17.243  -7.923   6.407
  109   2HB   GLU  21          1HB       GLU  21  15.376  -5.591   6.919
  110   1HB   GLU  21          2HB       GLU  21  17.104  -5.491   6.597
  111   2HG   GLU  21          1HG       GLU  21  17.588  -5.835   8.773
  112   1HG   GLU  21          2HG       GLU  21  16.585  -7.284   8.818
  113    H    LEU  22           H        LEU  22  13.684  -7.402   6.133
  114    HA   LEU  22           HA       LEU  22  13.057  -9.101   8.420
  115   2HB   LEU  22          1HB       LEU  22  10.765  -8.966   7.219
  116   1HB   LEU  22          2HB       LEU  22  11.589  -7.887   6.087
  117    HG   LEU  22           HG       LEU  22  12.434  -6.872   8.464
  118   1HD1  LEU  22          1HD1      LEU  22  11.345  -5.784   6.452
  119   2HD1  LEU  22          2HD1      LEU  22  10.947  -5.062   8.014
  120   3HD1  LEU  22          3HD1      LEU  22   9.788  -6.125   7.211
  121   1HD2  LEU  22          1HD2      LEU  22  10.791  -8.632   9.481
  122   2HD2  LEU  22          2HD2      LEU  22   9.537  -7.492   8.985
  123   3HD2  LEU  22          3HD2      LEU  22  10.784  -6.988  10.126
  124    H    ASN  23           H        ASN  23  13.721  -9.652   5.029
  125    HA   ASN  23           HA       ASN  23  12.557 -12.349   4.963
  126   2HB   ASN  23          1HB       ASN  23  14.060 -12.250   2.775
  127   1HB   ASN  23          2HB       ASN  23  14.139 -10.533   3.171
  128   1HD2  ASN  23          1HD2      ASN  23  12.142  -9.287   3.033
  129   2HD2  ASN  23          2HD2      ASN  23  10.746  -9.916   2.302
  130    H    ALA  24           H        ALA  24  15.425 -10.959   6.205
  131    HA   ALA  24           HA       ALA  24  17.182 -13.228   5.751
  132   1HB   ALA  24          1HB       ALA  24  17.389 -10.806   7.552
  133   2HB   ALA  24          2HB       ALA  24  17.899 -10.838   5.863
  134   3HB   ALA  24          3HB       ALA  24  18.728 -11.841   7.054
  135    H    LYS  25           H        LYS  25  15.181 -11.881   8.354
  136    HA   LYS  25           HA       LYS  25  15.980 -14.125  10.135
  137   1HB   LYS  25          1HB       LYS  25  16.117 -11.678  10.800
  138   2HB   LYS  25          2HB       LYS  25  15.194 -12.696  11.905
  139   2HG   LYS  25          1HG       LYS  25  13.109 -11.883  11.039
  140   1HG   LYS  25          2HG       LYS  25  13.909 -11.095   9.677
  141   2HD   LYS  25          1HD       LYS  25  15.198 -10.025  11.901
  142   1HD   LYS  25          2HD       LYS  25  13.516 -10.137  12.418
  143   2HE   LYS  25          1HE       LYS  25  12.904  -9.007  10.198
  144   1HE   LYS  25          2HE       LYS  25  14.634  -8.657  10.018
  145   1HZ   LYS  25          1HZ       LYS  25  13.462  -6.869  11.193
  146   2HZ   LYS  25          2HZ       LYS  25  14.605  -7.616  12.203
  147   3HZ   LYS  25          3HZ       LYS  25  12.951  -7.966  12.379
  148    H    GLY  26           H        GLY  26  13.275 -12.726   8.379
  149   2HA   GLY  26          1HA       GLY  26  11.695 -15.179   8.985
  150   1HA   GLY  26          2HA       GLY  26  11.425 -14.101   7.617
  151    H    GLU  27           H        GLU  27  11.665 -11.689   9.389
  152    HA   GLU  27           HA       GLU  27   9.344 -11.978  11.220
  153   2HB   GLU  27          1HB       GLU  27  10.069  -9.368  11.329
  154   1HB   GLU  27          2HB       GLU  27  11.561 -10.069  10.703
  155   2HG   GLU  27          1HG       GLU  27  12.004 -11.174  12.652
  156   1HG   GLU  27          2HG       GLU  27  10.306 -11.556  12.936
  157    H    LYS  28           H        LYS  28   7.303 -11.248  10.733
  158    HA   LYS  28           HA       LYS  28   6.861 -10.022   8.047
  159   2HB   LYS  28          1HB       LYS  28   4.416 -10.647   8.840
  160   1HB   LYS  28          2HB       LYS  28   5.267 -11.623  10.036
  161   2HG   LYS  28          1HG       LYS  28   6.645 -12.400   7.888
  162   1HG   LYS  28          2HG       LYS  28   5.165 -11.919   7.059
  163   1HD   LYS  28          1HD       LYS  28   4.610 -13.473   9.470
  164   2HD   LYS  28          2HD       LYS  28   5.625 -14.362   8.335
  165   2HE   LYS  28          1HE       LYS  28   3.475 -14.883   7.540
  166   1HE   LYS  28          2HE       LYS  28   3.860 -13.457   6.557
  167   1HZ   LYS  28          1HZ       LYS  28   2.487 -13.380   9.202
  168   2HZ   LYS  28          2HZ       LYS  28   1.683 -13.301   7.708
  169   3HZ   LYS  28          3HZ       LYS  28   2.755 -12.065   8.163
  170    H    ARG  29           H        ARG  29   7.718  -7.928   8.993
  171    HA   ARG  29           HA       ARG  29   5.715  -6.537  10.734
  172   2HB   ARG  29          1HB       ARG  29   8.366  -5.327  10.221
  173   1HB   ARG  29          2HB       ARG  29   8.420  -6.898  11.015
  174   2HG   ARG  29          1HG       ARG  29   7.551  -6.080  12.948
  175   1HG   ARG  29          2HG       ARG  29   6.372  -5.080  12.099
  176   2HD   ARG  29          1HD       ARG  29   8.525  -3.660  11.449
  177   1HD   ARG  29          2HD       ARG  29   9.191  -4.424  12.906
  178    HE   ARG  29           HE       ARG  29   6.484  -3.347  13.264
  179   1HH1  ARG  29          1HH1      ARG  29   8.063  -0.984  12.399
  180   2HH1  ARG  29          2HH1      ARG  29   8.733  -0.408  13.888
  181   1HH2  ARG  29          1HH2      ARG  29   8.126  -3.366  15.609
  182   2HH2  ARG  29          2HH2      ARG  29   8.769  -1.761  15.711
  183    H    LEU  30           H        LEU  30   6.749  -3.914  10.042
  184    HA   LEU  30           HA       LEU  30   5.722  -3.668   7.237
  185   1HB   LEU  30          1HB       LEU  30   4.361  -2.867   9.303
  186   2HB   LEU  30          2HB       LEU  30   4.527  -1.754   7.952
  187    HG   LEU  30           HG       LEU  30   6.776  -1.252   9.532
  188   1HD1  LEU  30          1HD1      LEU  30   4.105   0.179   9.444
  189   2HD1  LEU  30          2HD1      LEU  30   5.434   0.405   8.306
  190   3HD1  LEU  30          3HD1      LEU  30   5.626   0.886   9.992
  191   1HD2  LEU  30          1HD2      LEU  30   5.868  -0.874  11.777
  192   2HD2  LEU  30          2HD2      LEU  30   5.689  -2.574  11.345
  193   3HD2  LEU  30          3HD2      LEU  30   4.298  -1.493  11.267
  194    H    ILE  31           H        ILE  31   6.593  -1.807   6.036
  195    HA   ILE  31           HA       ILE  31   9.268  -0.839   6.963
  196    HB   ILE  31           HB       ILE  31   8.472  -1.934   4.236
  197   1HG2  ILE  31          1HG2      ILE  31  10.185  -0.727   3.402
  198   2HG2  ILE  31          2HG2      ILE  31  11.281  -1.585   4.483
  199   3HG2  ILE  31          3HG2      ILE  31  10.534  -0.073   5.004
  200   1HG1  ILE  31          1HG1      ILE  31   9.484  -3.169   6.611
  201   2HG1  ILE  31          2HG1      ILE  31  10.765  -3.192   5.398
  202   1HD1  ILE  31          1HD1      ILE  31   9.018  -4.073   3.764
  203   2HD1  ILE  31          2HD1      ILE  31   7.955  -4.291   5.154
  204   3HD1  ILE  31          3HD1      ILE  31   9.473  -5.183   5.057
  205    H    LYS  32           H        LYS  32   8.951   1.333   7.169
  206    HA   LYS  32           HA       LYS  32   6.956   2.744   5.525
  207   2HB   LYS  32          1HB       LYS  32   6.904   3.516   7.714
  208   1HB   LYS  32          2HB       LYS  32   7.942   4.723   6.970
  209   2HG   LYS  32          1HG       LYS  32   9.318   4.234   8.722
  210   1HG   LYS  32          2HG       LYS  32   9.806   2.881   7.702
  211   2HD   LYS  32          1HD       LYS  32   7.770   1.653   8.813
  212   1HD   LYS  32          2HD       LYS  32   7.912   2.906  10.048
  213   2HE   LYS  32          1HE       LYS  32   9.843   2.005  10.891
  214   1HE   LYS  32          2HE       LYS  32  10.476   1.628   9.278
  215   1HZ   LYS  32          1HZ       LYS  32   8.224   0.186  10.592
  216   2HZ   LYS  32          2HZ       LYS  32   9.831  -0.368  10.587
  217   3HZ   LYS  32          3HZ       LYS  32   8.973  -0.226   9.126
  218    H    THR  33           H        THR  33   7.414   4.538   4.172
  219    HA   THR  33           HA       THR  33  10.249   4.794   3.219
  220    HB   THR  33           HB       THR  33   7.668   4.260   1.728
  221    HG1  THR  33          1HG       THR  33   8.557   2.371   1.903
  222   1HG2  THR  33          1HG2      THR  33   9.223   4.466  -0.333
  223   2HG2  THR  33          2HG2      THR  33  10.250   5.435   0.724
  224   3HG2  THR  33          3HG2      THR  33   8.598   5.949   0.387
  225    H    TRP  34           H        TRP  34  10.578   6.875   1.977
  226    HA   TRP  34           HA       TRP  34   8.504   8.976   2.416
  227   1HB   TRP  34          1HB       TRP  34  10.140  10.411   3.541
  228   2HB   TRP  34          2HB       TRP  34  11.388   9.183   3.342
  229    HD1  TRP  34           HD       TRP  34   8.227   9.953   5.330
  230    HE3  TRP  34          3HE       TRP  34  12.116   6.868   4.206
  231    HE1  TRP  34          1HE       TRP  34   8.133   8.372   7.368
  232    HZ3  TRP  34          3HZ       TRP  34  12.725   4.996   5.717
  233    HZ2  TRP  34          2HZ       TRP  34   9.539   6.089   8.383
  234    HH2  TRP  34           HH       TRP  34  11.439   4.602   7.800
  235    H    SER  35           H        SER  35   9.537   7.715  -0.043
  236    HA   SER  35           HA       SER  35  11.307   9.787  -1.229
  237   2HB   SER  35          1HB       SER  35  10.173   7.307  -2.533
  238   1HB   SER  35          2HB       SER  35  11.545   7.235  -1.432
  239    HG   SER  35           HG       SER  35  12.786   8.145  -2.861
  240    H    ARG  36           H        ARG  36   9.667   8.704  -3.836
  241    HA   ARG  36           HA       ARG  36   7.452  10.709  -3.602
  242   2HB   ARG  36          1HB       ARG  36   8.159  11.275  -6.034
  243   1HB   ARG  36          2HB       ARG  36   9.661  10.437  -5.645
  244   1HG   ARG  36          1HG       ARG  36   8.814  12.367  -3.588
  245   2HG   ARG  36          2HG       ARG  36   9.165  13.106  -5.151
  246   2HD   ARG  36          1HD       ARG  36  11.405  12.323  -5.143
  247   1HD   ARG  36          2HD       ARG  36  11.065  11.105  -3.899
  248    HE   ARG  36           HE       ARG  36  11.223  14.056  -3.431
  249   1HH1  ARG  36          1HH1      ARG  36   9.539  13.508  -1.345
  250   2HH1  ARG  36          2HH1      ARG  36  10.473  12.719  -0.118
  251   1HH2  ARG  36          1HH2      ARG  36  13.070  11.869  -2.264
  252   2HH2  ARG  36          2HH2      ARG  36  12.477  11.790  -0.639
  253    H    ARG  37           H        ARG  37   8.781   8.344  -5.979
  254    HA   ARG  37           HA       ARG  37   5.992   7.541  -6.664
  255   2HB   ARG  37          1HB       ARG  37   7.183   6.436  -8.580
  256   1HB   ARG  37          2HB       ARG  37   8.710   7.010  -7.910
  257   2HG   ARG  37          1HG       ARG  37   6.993   9.258  -7.994
  258   1HG   ARG  37          2HG       ARG  37   6.798   8.433  -9.541
  259   1HD   ARG  37          1HD       ARG  37   9.528   9.033  -8.356
  260   2HD   ARG  37          2HD       ARG  37   8.694  10.146  -9.458
  261    HE   ARG  37           HE       ARG  37   9.442   7.321 -10.153
  262   1HH1  ARG  37          1HH1      ARG  37  11.176   9.187 -11.461
  263   2HH1  ARG  37          2HH1      ARG  37  10.355   9.596 -12.931
  264   1HH2  ARG  37          1HH2      ARG  37   7.266   8.439 -11.841
  265   2HH2  ARG  37          2HH2      ARG  37   8.136   9.172 -13.146
  266    H    SER  38           H        SER  38   7.169   6.676  -4.114
  267    HA   SER  38           HA       SER  38   8.346   4.267  -3.744
  268   2HB   SER  38          1HB       SER  38   6.411   3.974  -1.984
  269   1HB   SER  38          2HB       SER  38   5.886   5.548  -2.584
  270    HG   SER  38           HG       SER  38   7.541   6.474  -1.703
  271    H    THR  39           H        THR  39   8.131   2.260  -4.627
  272    HA   THR  39           HA       THR  39   5.414   1.347  -5.529
  273    HB   THR  39           HB       THR  39   8.143   1.084  -6.831
  274    HG1  THR  39          1HG       THR  39   5.691   2.223  -7.693
  275   1HG2  THR  39          1HG2      THR  39   6.576  -0.011  -8.668
  276   2HG2  THR  39          2HG2      THR  39   5.591  -0.424  -7.264
  277   3HG2  THR  39          3HG2      THR  39   7.258  -0.992  -7.370
  278    H    ILE  40           H        ILE  40   5.206  -1.041  -5.569
  279    HA   ILE  40           HA       ILE  40   6.144  -2.319  -3.159
  280    HB   ILE  40           HB       ILE  40   5.086  -3.652  -5.667
  281   1HG2  ILE  40          1HG2      ILE  40   5.109  -4.274  -2.728
  282   2HG2  ILE  40          2HG2      ILE  40   5.542  -5.310  -4.089
  283   3HG2  ILE  40          3HG2      ILE  40   3.849  -4.940  -3.766
  284   2HG1  ILE  40          1HG1      ILE  40   3.865  -1.508  -4.276
  285   1HG1  ILE  40          2HG1      ILE  40   3.023  -2.971  -3.769
  286   1HD1  ILE  40          1HD1      ILE  40   2.713  -3.606  -6.131
  287   2HD1  ILE  40          2HD1      ILE  40   3.564  -2.150  -6.635
  288   3HD1  ILE  40          3HD1      ILE  40   2.012  -2.022  -5.813
  289    H    VAL  41           H        VAL  41   7.418  -4.403  -3.140
  290    HA   VAL  41           HA       VAL  41   9.580  -4.455  -5.232
  291    HB   VAL  41           HB       VAL  41  10.523  -5.562  -2.783
  292   1HG1  VAL  41          1HG1      VAL  41  11.270  -2.776  -3.458
  293   2HG1  VAL  41          2HG1      VAL  41  11.455  -3.951  -4.760
  294   3HG1  VAL  41          3HG1      VAL  41  12.289  -4.196  -3.227
  295   1HG2  VAL  41          1HG2      VAL  41  10.288  -3.614  -1.248
  296   2HG2  VAL  41          2HG2      VAL  41   8.733  -4.373  -1.586
  297   3HG2  VAL  41          3HG2      VAL  41   9.171  -2.865  -2.387
  298    HA   PRO  42           HA       PRO  42   8.954  -8.809  -5.305
  299   2HB   PRO  42          1HB       PRO  42  10.873  -8.922  -6.579
  300   1HB   PRO  42          2HB       PRO  42  11.439  -9.899  -5.216
  301   1HG   PRO  42          1HG       PRO  42  12.653  -7.632  -6.112
  302   2HG   PRO  42          2HG       PRO  42  12.784  -8.248  -4.460
  303   2HD   PRO  42          1HD       PRO  42  11.470  -5.866  -5.421
  304   1HD   PRO  42          2HD       PRO  42  11.760  -6.383  -3.749
  305    H    GLU  43           H        GLU  43  11.011  -7.864  -2.604
  306    HA   GLU  43           HA       GLU  43  10.523 -10.352  -1.110
  307   2HB   GLU  43          1HB       GLU  43  11.978  -9.089   0.565
  308   1HB   GLU  43          2HB       GLU  43  12.068  -7.794  -0.626
  309   2HG   GLU  43          1HG       GLU  43  13.840  -8.907  -1.477
  310   1HG   GLU  43          2HG       GLU  43  12.666 -10.061  -2.110
  311    H    MET  44           H        MET  44   8.441  -8.003  -1.727
  312    HA   MET  44           HA       MET  44   7.694  -7.293   1.076
  313   2HB   MET  44          1HB       MET  44   7.623  -5.516  -0.511
  314   1HB   MET  44          2HB       MET  44   5.948  -5.935  -0.170
  315   2HG   MET  44          1HG       MET  44   7.571  -6.821  -2.555
  316   1HG   MET  44          2HG       MET  44   6.258  -5.665  -2.568
  317   1HE   MET  44          1HE       MET  44   5.797  -9.728  -3.839
  318   2HE   MET  44          2HE       MET  44   7.312  -8.937  -3.418
  319   3HE   MET  44          3HE       MET  44   6.224  -8.183  -4.578
  320    H    VAL  45           H        VAL  45   7.129  -9.949  -0.782
  321    HA   VAL  45           HA       VAL  45   4.353 -10.357  -0.906
  322    HB   VAL  45           HB       VAL  45   6.574 -12.360  -0.340
  323   1HG1  VAL  45          1HG1      VAL  45   4.745 -13.450  -2.136
  324   2HG1  VAL  45          2HG1      VAL  45   3.736 -12.625  -0.950
  325   3HG1  VAL  45          3HG1      VAL  45   4.888 -13.851  -0.426
  326   1HG2  VAL  45          1HG2      VAL  45   5.596 -11.153  -2.948
  327   2HG2  VAL  45          2HG2      VAL  45   6.697 -12.522  -2.841
  328   3HG2  VAL  45          3HG2      VAL  45   7.198 -10.941  -2.233
  329    H    GLY  46           H        GLY  46   6.022  -9.907   2.009
  330   2HA   GLY  46          1HA       GLY  46   5.330 -11.676   3.904
  331   1HA   GLY  46          2HA       GLY  46   3.749 -10.998   3.513
  332    H    HIS  47           H        HIS  47   4.789  -8.281   2.958
  333    HA   HIS  47           HA       HIS  47   5.313  -7.483   5.804
  334   1HB   HIS  47          1HB       HIS  47   7.092  -6.014   5.068
  335   2HB   HIS  47          2HB       HIS  47   6.735  -6.352   3.376
  336    HD1  HIS  47          1HD       HIS  47   8.429  -7.793   6.389
  337    HD2  HIS  47          2HD       HIS  47   7.597  -8.916   2.464
  338    HE1  HIS  47          1HE       HIS  47   9.820  -9.859   5.926
  339    H    THR  48           H        THR  48   4.584  -5.369   6.326
  340    HA   THR  48           HA       THR  48   2.494  -4.291   4.510
  341    HB   THR  48           HB       THR  48   2.730  -3.045   7.139
  342    HG1  THR  48          1HG       THR  48   3.323  -4.742   8.209
  343   1HG2  THR  48          1HG2      THR  48   0.737  -3.510   5.428
  344   2HG2  THR  48          2HG2      THR  48   0.449  -3.332   7.158
  345   3HG2  THR  48          3HG2      THR  48   0.541  -4.941   6.440
  346    H    ILE  49           H        ILE  49   4.228  -3.329   3.115
  347    HA   ILE  49           HA       ILE  49   6.081  -1.385   4.252
  348    HB   ILE  49           HB       ILE  49   5.265  -2.243   1.468
  349   1HG2  ILE  49          1HG2      ILE  49   7.217  -0.891   0.670
  350   2HG2  ILE  49          2HG2      ILE  49   7.342  -0.183   2.280
  351   3HG2  ILE  49          3HG2      ILE  49   5.906   0.107   1.299
  352   2HG1  ILE  49          1HG1      ILE  49   6.827  -3.488   3.294
  353   1HG1  ILE  49          2HG1      ILE  49   8.035  -2.451   2.537
  354   1HD1  ILE  49          1HD1      ILE  49   8.151  -4.242   1.094
  355   2HD1  ILE  49          2HD1      ILE  49   6.838  -3.358   0.316
  356   3HD1  ILE  49          3HD1      ILE  49   6.478  -4.716   1.383
  357    H    ALA  50           H        ALA  50   5.444   0.615   4.903
  358    HA   ALA  50           HA       ALA  50   2.957   1.795   3.946
  359   1HB   ALA  50          1HB       ALA  50   3.632   2.110   6.246
  360   2HB   ALA  50          2HB       ALA  50   3.704   3.684   5.447
  361   3HB   ALA  50          3HB       ALA  50   5.188   2.772   5.744
  362    H    VAL  51           H        VAL  51   3.549   1.788   1.678
  363    HA   VAL  51           HA       VAL  51   5.756   3.148   0.524
  364    HB   VAL  51           HB       VAL  51   4.334   3.179  -1.498
  365   1HG1  VAL  51          1HG1      VAL  51   4.112   0.850  -1.723
  366   2HG1  VAL  51          2HG1      VAL  51   3.663   0.637  -0.031
  367   3HG1  VAL  51          3HG1      VAL  51   5.331   1.020  -0.459
  368   1HG2  VAL  51          1HG2      VAL  51   2.129   2.550   0.483
  369   2HG2  VAL  51          2HG2      VAL  51   1.963   2.298  -1.255
  370   3HG2  VAL  51          3HG2      VAL  51   2.221   3.924  -0.620
  371    H    TYR  52           H        TYR  52   6.255   5.298   0.453
  372    HA   TYR  52           HA       TYR  52   4.445   7.274   1.596
  373   2HB   TYR  52          1HB       TYR  52   7.003   7.713   0.023
  374   1HB   TYR  52          2HB       TYR  52   6.995   7.210   1.711
  375    HD1  TYR  52          1HD       TYR  52   7.581   9.959  -0.127
  376    HE1  TYR  52          1HE       TYR  52   7.300  12.318   0.578
  377    HE2  TYR  52          2HE       TYR  52   4.618  11.060   3.689
  378    HD2  TYR  52          2HD       TYR  52   4.902   8.704   2.979
  379    HH   TYR  52           HH       TYR  52   5.330  13.627   1.876
  380    H    ASN  53           H        ASN  53   2.639   7.726   0.365
  381    HA   ASN  53           HA       ASN  53   2.567   7.678  -2.528
  382   2HB   ASN  53          1HB       ASN  53   0.794   8.863  -0.370
  383   1HB   ASN  53          2HB       ASN  53   0.611   7.289  -1.141
  384   1HD2  ASN  53          1HD2      ASN  53  -0.055  10.708  -1.465
  385   2HD2  ASN  53          2HD2      ASN  53  -0.875  10.609  -2.948
  386    H    GLY  54           H        GLY  54   4.097   9.842  -0.495
  387   2HA   GLY  54          1HA       GLY  54   3.718  12.130  -2.383
  388   1HA   GLY  54          2HA       GLY  54   5.284  11.728  -1.668
  389    H    LYS  55           H        LYS  55   2.472  11.251   0.270
  390    HA   LYS  55           HA       LYS  55   3.248  13.546   2.004
  391   2HB   LYS  55          1HB       LYS  55   1.442  14.493   0.847
  392   1HB   LYS  55          2HB       LYS  55   0.651  13.788   2.254
  393   2HG   LYS  55          1HG       LYS  55   0.314  11.688   0.800
  394   1HG   LYS  55          2HG       LYS  55   0.727  12.723  -0.569
  395   2HD   LYS  55          1HD       LYS  55  -1.101  14.251   0.008
  396   1HD   LYS  55          2HD       LYS  55  -1.486  13.284   1.433
  397   2HE   LYS  55          1HE       LYS  55  -1.959  11.334  -0.071
  398   1HE   LYS  55          2HE       LYS  55  -1.682  12.390  -1.469
  399   1HZ   LYS  55          1HZ       LYS  55  -3.392  13.885  -0.612
  400   2HZ   LYS  55          2HZ       LYS  55  -3.651  12.862   0.720
  401   3HZ   LYS  55          3HZ       LYS  55  -4.034  12.334  -0.848
  402    H    GLN  56           H        GLN  56   1.683  10.386   1.662
  403    HA   GLN  56           HA       GLN  56   1.817  10.062   4.635
  404   1HB   GLN  56          1HB       GLN  56  -0.400  10.330   2.966
  405   2HB   GLN  56          2HB       GLN  56  -0.410   9.789   4.639
  406   1HG   GLN  56          1HG       GLN  56   0.328   7.603   2.903
  407   2HG   GLN  56          2HG       GLN  56  -1.180   8.321   2.359
  408   1HE2  GLN  56          1HE2      GLN  56   0.383   7.266   5.450
  409   2HE2  GLN  56          2HE2      GLN  56  -1.049   6.676   6.138
  410    H    HIS  57           H        HIS  57   2.155   7.923   5.390
  411    HA   HIS  57           HA       HIS  57   3.529   6.110   3.463
  412   1HB   HIS  57          1HB       HIS  57   4.712   5.350   5.350
  413   2HB   HIS  57          2HB       HIS  57   3.417   5.771   6.458
  414    HD1  HIS  57          1HD       HIS  57   3.662   7.932   7.684
  415    HD2  HIS  57          2HD       HIS  57   6.088   7.799   4.301
  416    HE1  HIS  57          1HE       HIS  57   5.059  10.044   7.723
  417    H    VAL  58           H        VAL  58   1.915   4.765   2.580
  418    HA   VAL  58           HA       VAL  58  -0.288   3.796   4.332
  419    HB   VAL  58           HB       VAL  58   0.273   3.400   1.369
  420   1HG1  VAL  58          1HG1      VAL  58  -2.298   3.134   2.958
  421   2HG1  VAL  58          2HG1      VAL  58  -1.315   1.779   2.405
  422   3HG1  VAL  58          3HG1      VAL  58  -2.100   2.835   1.231
  423   1HG2  VAL  58          1HG2      VAL  58   0.052   5.787   1.888
  424   2HG2  VAL  58          2HG2      VAL  58  -1.415   5.470   2.815
  425   3HG2  VAL  58          3HG2      VAL  58  -1.406   5.226   1.070
  426    HA   PRO  59           HA       PRO  59   2.542   0.236   4.840
  427   2HB   PRO  59          1HB       PRO  59   2.410   0.510   7.141
  428   1HB   PRO  59          2HB       PRO  59   1.213  -0.796   7.013
  429   1HG   PRO  59          1HG       PRO  59   0.587   1.549   8.100
  430   2HG   PRO  59          2HG       PRO  59  -0.570   0.676   7.080
  431   2HD   PRO  59          1HD       PRO  59   1.108   3.065   6.444
  432   1HD   PRO  59          2HD       PRO  59  -0.553   2.686   5.940
  433    H    VAL  60           H        VAL  60   1.823  -0.693   2.929
  434    HA   VAL  60           HA       VAL  60  -0.772  -2.153   2.917
  435    HB   VAL  60           HB       VAL  60   1.321  -1.586   0.787
  436   1HG1  VAL  60          1HG1      VAL  60  -0.413  -2.370  -0.792
  437   2HG1  VAL  60          2HG1      VAL  60  -1.443  -2.810   0.570
  438   3HG1  VAL  60          3HG1      VAL  60   0.089  -3.651   0.314
  439   1HG2  VAL  60          1HG2      VAL  60  -1.333  -0.322   1.518
  440   2HG2  VAL  60          2HG2      VAL  60  -0.595  -0.106  -0.070
  441   3HG2  VAL  60          3HG2      VAL  60   0.241   0.463   1.375
  442    H    TYR  61           H        TYR  61  -0.687  -4.261   3.642
  443    HA   TYR  61           HA       TYR  61   1.806  -5.760   3.721
  444   2HB   TYR  61          1HB       TYR  61  -1.015  -6.847   3.898
  445   1HB   TYR  61          2HB       TYR  61  -0.223  -6.036   5.254
  446    HD1  TYR  61          1HD       TYR  61   0.499  -8.714   2.688
  447    HE1  TYR  61          1HE       TYR  61   1.707 -10.789   3.224
  448    HE2  TYR  61          2HE       TYR  61   2.243  -9.411   7.268
  449    HD2  TYR  61          2HD       TYR  61   1.020  -7.338   6.726
  450    HH   TYR  61           HH       TYR  61   2.092 -12.111   5.676
  451    H    ILE  62           H        ILE  62   2.684  -6.292   1.757
  452    HA   ILE  62           HA       ILE  62   0.910  -6.916  -0.516
  453    HB   ILE  62           HB       ILE  62   3.933  -6.874  -0.316
  454   1HG2  ILE  62          1HG2      ILE  62   3.669  -6.340  -2.778
  455   2HG2  ILE  62          2HG2      ILE  62   1.945  -6.663  -2.607
  456   3HG2  ILE  62          3HG2      ILE  62   3.118  -7.954  -2.328
  457   1HG1  ILE  62          1HG1      ILE  62   2.001  -4.693  -0.156
  458   2HG1  ILE  62          2HG1      ILE  62   3.016  -4.526  -1.588
  459   1HD1  ILE  62          1HD1      ILE  62   4.969  -4.331  -0.345
  460   2HD1  ILE  62          2HD1      ILE  62   4.310  -5.224   1.026
  461   3HD1  ILE  62          3HD1      ILE  62   3.816  -3.554   0.739
  462    H    THR  63           H        THR  63   1.260  -8.828  -1.768
  463    HA   THR  63           HA       THR  63   2.474 -11.134  -0.313
  464    HB   THR  63           HB       THR  63  -0.049 -11.305  -1.967
  465    HG1  THR  63          1HG       THR  63  -1.238 -10.732  -0.282
  466   1HG2  THR  63          1HG2      THR  63   0.202 -13.472  -1.435
  467   2HG2  THR  63          2HG2      THR  63  -0.075 -13.032   0.250
  468   3HG2  THR  63          3HG2      THR  63   1.568 -13.095  -0.386
  469    H    GLU  64           H        GLU  64   1.985 -12.952  -2.554
  470    HA   GLU  64           HA       GLU  64   3.991 -11.820  -4.410
  471   2HB   GLU  64          1HB       GLU  64   2.831 -14.511  -4.881
  472   1HB   GLU  64          2HB       GLU  64   3.558 -14.285  -3.291
  473   2HG   GLU  64          1HG       GLU  64   5.491 -13.161  -4.770
  474   1HG   GLU  64          2HG       GLU  64   4.835 -14.251  -5.991
  475    H    ASN  65           H        ASN  65   1.545 -10.431  -4.698
  476    HA   ASN  65           HA       ASN  65   0.818 -11.138  -7.477
  477   2HB   ASN  65          1HB       ASN  65  -1.325 -10.961  -5.355
  478   1HB   ASN  65          2HB       ASN  65  -0.566 -12.490  -5.799
  479   1HD2  ASN  65          1HD2      ASN  65  -2.774  -9.964  -6.905
  480   2HD2  ASN  65          2HD2      ASN  65  -3.279 -10.768  -8.311
  481    H    MET  66           H        MET  66   0.328  -8.916  -4.724
  482    HA   MET  66           HA       MET  66  -0.898  -6.839  -6.420
  483   2HB   MET  66          1HB       MET  66  -0.855  -5.621  -4.230
  484   1HB   MET  66          2HB       MET  66  -0.020  -7.011  -3.532
  485   2HG   MET  66          1HG       MET  66  -1.933  -8.456  -4.272
  486   1HG   MET  66          2HG       MET  66  -2.772  -7.005  -4.819
  487   1HE   MET  66          1HE       MET  66  -1.843  -8.370  -0.561
  488   2HE   MET  66          2HE       MET  66  -0.529  -7.722  -1.539
  489   3HE   MET  66          3HE       MET  66  -1.421  -9.134  -2.100
  490    H    VAL  67           H        VAL  67   2.249  -7.839  -6.213
  491    HA   VAL  67           HA       VAL  67   3.561  -5.229  -5.898
  492    HB   VAL  67           HB       VAL  67   4.610  -7.295  -5.116
  493   1HG1  VAL  67          1HG1      VAL  67   5.478  -8.793  -7.146
  494   2HG1  VAL  67          2HG1      VAL  67   4.035  -8.148  -7.928
  495   3HG1  VAL  67          3HG1      VAL  67   3.891  -9.065  -6.428
  496   1HG2  VAL  67          1HG2      VAL  67   6.101  -5.510  -5.932
  497   2HG2  VAL  67          2HG2      VAL  67   6.001  -6.165  -7.565
  498   3HG2  VAL  67          3HG2      VAL  67   6.785  -7.096  -6.292
  499    H    GLY  68           H        GLY  68   5.080  -4.425  -7.633
  500   2HA   GLY  68          1HA       GLY  68   4.161  -5.077 -10.397
  501   1HA   GLY  68          2HA       GLY  68   5.729  -4.388  -9.989
  502    H    HIS  69           H        HIS  69   2.925  -3.069  -8.381
  503    HA   HIS  69           HA       HIS  69   2.944  -0.770 -10.300
  504   2HB   HIS  69          1HB       HIS  69   0.645  -0.403  -9.355
  505   1HB   HIS  69          2HB       HIS  69   0.838  -1.864  -8.395
  506    HD1  HIS  69          1HD       HIS  69  -0.738  -0.901 -11.365
  507    HD2  HIS  69          2HD       HIS  69   1.846  -4.053 -10.470
  508    HE1  HIS  69          1HE       HIS  69  -1.081  -2.645 -13.168
  509    H    LYS  70           H        LYS  70   1.597  -0.752  -7.052
  510    HA   LYS  70           HA       LYS  70   3.694   0.492  -5.611
  511   2HB   LYS  70          1HB       LYS  70   3.679   2.374  -7.023
  512   1HB   LYS  70          2HB       LYS  70   2.609   2.875  -5.717
  513   1HG   LYS  70          1HG       LYS  70   1.328   1.417  -7.957
  514   2HG   LYS  70          2HG       LYS  70   1.928   3.027  -8.334
  515   2HD   LYS  70          1HD       LYS  70   0.703   3.553  -5.987
  516   1HD   LYS  70          2HD       LYS  70  -0.284   2.193  -6.521
  517   1HE   LYS  70          1HE       LYS  70   0.249   4.115  -8.681
  518   2HE   LYS  70          2HE       LYS  70  -0.640   4.827  -7.321
  519   1HZ   LYS  70          1HZ       LYS  70  -2.177   2.971  -7.390
  520   2HZ   LYS  70          2HZ       LYS  70  -1.299   2.240  -8.650
  521   3HZ   LYS  70          3HZ       LYS  70  -2.119   3.704  -8.919
  522    H    LEU  71           H        LEU  71   0.320   0.381  -6.268
  523    HA   LEU  71           HA       LEU  71  -0.539  -0.567  -3.716
  524   1HB   LEU  71          1HB       LEU  71   0.224   1.948  -3.416
  525   2HB   LEU  71          2HB       LEU  71  -1.226   1.367  -2.607
  526    HG   LEU  71           HG       LEU  71  -1.631   2.410  -5.355
  527   1HD1  LEU  71          1HD1      LEU  71  -3.715   2.996  -4.510
  528   2HD1  LEU  71          2HD1      LEU  71  -3.092   3.284  -2.886
  529   3HD1  LEU  71          3HD1      LEU  71  -3.318   1.633  -3.464
  530   1HD2  LEU  71          1HD2      LEU  71  -1.348   4.698  -4.828
  531   2HD2  LEU  71          2HD2      LEU  71   0.094   3.935  -4.159
  532   3HD2  LEU  71          3HD2      LEU  71  -1.243   4.376  -3.098
  533    H    GLY  72           H        GLY  72  -1.238   0.646  -6.916
  534   2HA   GLY  72          1HA       GLY  72  -3.148   0.557  -8.259
  535   1HA   GLY  72          2HA       GLY  72  -4.117   0.572  -6.786
  536    H    GLU  73           H        GLU  73  -1.731  -1.889  -6.871
  537    HA   GLU  73           HA       GLU  73  -3.394  -3.946  -8.170
  538   2HB   GLU  73          1HB       GLU  73  -1.434  -5.339  -7.091
  539   1HB   GLU  73          2HB       GLU  73  -0.722  -3.755  -6.793
  540   2HG   GLU  73          1HG       GLU  73   0.083  -3.902  -8.895
  541   1HG   GLU  73          2HG       GLU  73  -1.567  -3.571  -9.423
  542    H    PHE  74           H        PHE  74  -2.990  -2.534  -5.077
  543    HA   PHE  74           HA       PHE  74  -4.183  -4.829  -3.610
  544   1HB   PHE  74          1HB       PHE  74  -3.476  -3.611  -1.652
  545   2HB   PHE  74          2HB       PHE  74  -3.266  -2.129  -2.573
  546    HD1  PHE  74          1HD       PHE  74  -1.641  -5.030  -1.282
  547    HE1  PHE  74          1HE       PHE  74   0.756  -5.549  -1.621
  548    HZ   PHE  74           HZ       PHE  74   2.038  -4.368  -3.387
  549    HE2  PHE  74          2HE       PHE  74   0.924  -2.690  -4.803
  550    HD2  PHE  74          2HD       PHE  74  -1.446  -2.171  -4.475
  551    H    ALA  75           H        ALA  75  -4.876  -1.690  -4.977
  552    HA   ALA  75           HA       ALA  75  -7.664  -1.830  -3.883
  553   1HB   ALA  75          1HB       ALA  75  -7.397   0.733  -3.789
  554   2HB   ALA  75          2HB       ALA  75  -5.668   0.442  -3.997
  555   3HB   ALA  75          3HB       ALA  75  -6.507  -0.195  -2.581
  556    HA   PRO  76           HA       PRO  76  -7.486  -0.887  -8.457
  557   2HB   PRO  76          1HB       PRO  76  -6.325  -2.751  -9.185
  558   1HB   PRO  76          2HB       PRO  76  -7.951  -3.357  -9.542
  559   1HG   PRO  76          1HG       PRO  76  -6.146  -4.526  -7.807
  560   2HG   PRO  76          2HG       PRO  76  -7.891  -4.808  -7.809
  561   2HD   PRO  76          1HD       PRO  76  -6.292  -3.510  -5.812
  562   1HD   PRO  76          2HD       PRO  76  -8.040  -3.819  -5.788
  563    H    THR  77           H        THR  77  -9.568  -0.616  -6.574
  564    HA   THR  77           HA       THR  77 -11.923  -0.780  -8.258
  565    HB   THR  77           HB       THR  77 -11.582  -3.167  -7.573
  566    HG1  THR  77          1HG       THR  77 -13.846  -1.979  -6.348
  567   1HG2  THR  77          1HG2      THR  77 -11.580  -3.866  -5.342
  568   2HG2  THR  77          2HG2      THR  77 -12.341  -2.382  -4.772
  569   3HG2  THR  77          3HG2      THR  77 -10.647  -2.372  -5.260
  570    H    ARG  78           H        ARG  78 -10.589   1.263  -6.673
  571    HA   ARG  78           HA       ARG  78 -12.855   2.032  -4.888
  572   2HB   ARG  78          1HB       ARG  78  -9.934   2.223  -4.100
  573   1HB   ARG  78          2HB       ARG  78 -10.957   0.855  -3.658
  574   2HG   ARG  78          1HG       ARG  78 -11.506   2.083  -1.832
  575   1HG   ARG  78          2HG       ARG  78 -12.509   3.026  -2.934
  576   2HD   ARG  78          1HD       ARG  78 -10.168   4.269  -3.384
  577   1HD   ARG  78          2HD       ARG  78  -9.855   3.702  -1.731
  578    HE   ARG  78           HE       ARG  78 -12.169   5.426  -2.545
  579   1HH1  ARG  78          1HH1      ARG  78  -9.938   6.505  -0.837
  580   2HH1  ARG  78          2HH1      ARG  78 -10.603   6.359   0.756
  581   1HH2  ARG  78          1HH2      ARG  78 -13.112   4.156  -0.207
  582   2HH2  ARG  78          2HH2      ARG  78 -12.404   5.025   1.114
  583    H    THR  79           H        THR  79 -13.160   4.293  -4.769
  584    HA   THR  79           HA       THR  79 -11.200   6.062  -6.154
  585    HB   THR  79           HB       THR  79 -12.883   5.227  -7.799
  586    HG1  THR  79          1HG       THR  79 -12.294   7.171  -8.410
  587   1HG2  THR  79          1HG2      THR  79 -14.918   6.727  -6.133
  588   2HG2  THR  79          2HG2      THR  79 -14.720   4.976  -6.070
  589   3HG2  THR  79          3HG2      THR  79 -15.218   5.753  -7.572
  590    H    TYR  80           H        TYR  80 -11.208   8.186  -5.333
  591    HA   TYR  80           HA       TYR  80 -13.348   9.037  -3.466
  592   2HB   TYR  80          1HB       TYR  80 -10.609   9.279  -2.365
  593   1HB   TYR  80          2HB       TYR  80 -11.196   7.623  -2.518
  594    HD1  TYR  80          1HD       TYR  80 -13.534   7.088  -1.562
  595    HE1  TYR  80          1HE       TYR  80 -14.929   7.396   0.464
  596    HE2  TYR  80          2HE       TYR  80 -12.730  10.953   1.439
  597    HD2  TYR  80          2HD       TYR  80 -11.334  10.647  -0.587
  598    HH   TYR  80           HH       TYR  80 -14.274   8.898   2.935

  No H/Q in entry =         598
  Start of MODEL   15
    1    H    GLY   8           H        GLY   8  12.281   4.695 -15.458
    2   2HA   GLY   8          1HA       GLY   8  10.032   5.383 -16.152
    3   1HA   GLY   8          2HA       GLY   8  10.403   7.012 -15.583
    4    H    VAL   9           H        VAL   9   9.955   3.662 -14.425
    5    HA   VAL   9           HA       VAL   9   8.391   4.634 -12.136
    6    HB   VAL   9           HB       VAL   9   8.032   2.225 -11.775
    7   1HG1  VAL   9          1HG1      VAL   9   6.967   3.612 -13.738
    8   2HG1  VAL   9          2HG1      VAL   9   6.729   1.867 -13.669
    9   3HG1  VAL   9          3HG1      VAL   9   7.940   2.549 -14.754
   10   1HG2  VAL   9          1HG2      VAL   9   9.146   0.544 -13.118
   11   2HG2  VAL   9          2HG2      VAL   9  10.387   1.547 -12.368
   12   3HG2  VAL   9          3HG2      VAL   9   9.970   1.783 -14.065
   13    H    PHE  10           H        PHE  10   8.965   4.251  -9.913
   14    HA   PHE  10           HA       PHE  10  11.824   3.525  -9.400
   15   2HB   PHE  10          1HB       PHE  10  10.320   6.043  -8.871
   16   1HB   PHE  10          2HB       PHE  10  12.035   5.811  -9.192
   17    HD1  PHE  10          1HD       PHE  10  13.553   4.977  -7.338
   18    HE1  PHE  10          1HE       PHE  10  14.017   5.140  -4.912
   19    HZ   PHE  10           HZ       PHE  10  12.216   5.792  -3.333
   20    HE2  PHE  10          2HE       PHE  10   9.935   6.288  -4.203
   21    HD2  PHE  10          2HD       PHE  10   9.473   6.129  -6.633
   22    H    VAL  11           H        VAL  11  12.094   2.246  -7.606
   23    HA   VAL  11           HA       VAL  11   9.688   1.728  -5.893
   24    HB   VAL  11           HB       VAL  11  10.430  -0.193  -7.280
   25   1HG1  VAL  11          1HG1      VAL  11  12.882   0.611  -7.296
   26   2HG1  VAL  11          2HG1      VAL  11  12.609  -1.125  -7.153
   27   3HG1  VAL  11          3HG1      VAL  11  13.022  -0.177  -5.725
   28   1HG2  VAL  11          1HG2      VAL  11   9.857  -1.535  -5.563
   29   2HG2  VAL  11          2HG2      VAL  11  10.045  -0.150  -4.488
   30   3HG2  VAL  11          3HG2      VAL  11  11.400  -1.245  -4.760
   31    H    ASP  12           H        ASP  12   9.946   2.656  -3.906
   32    HA   ASP  12           HA       ASP  12  12.095   4.040  -2.911
   33   2HB   ASP  12          1HB       ASP  12  10.253   2.258  -1.296
   34   1HB   ASP  12          2HB       ASP  12   9.814   3.846  -1.927
   35    H    ASP  13           H        ASP  13  14.187   3.290  -2.986
   36    HA   ASP  13           HA       ASP  13  14.994   0.587  -2.482
   37   2HB   ASP  13          1HB       ASP  13  16.685   3.071  -2.175
   38   1HB   ASP  13          2HB       ASP  13  16.139   2.534  -3.766
   39    H    HIS  14           H        HIS  14  14.249   3.325  -0.503
   40    HA   HIS  14           HA       HIS  14  15.745   2.695   1.850
   41   2HB   HIS  14          1HB       HIS  14  13.081   4.036   1.977
   42   1HB   HIS  14          2HB       HIS  14  14.290   4.770   0.923
   43    HD1  HIS  14          1HD       HIS  14  16.494   5.637   2.068
   44    HD2  HIS  14          2HD       HIS  14  13.614   4.252   4.743
   45    HE1  HIS  14          1HE       HIS  14  17.209   6.430   4.365
   46    H    LEU  15           H        LEU  15  12.679   1.519   0.573
   47    HA   LEU  15           HA       LEU  15  11.799   0.266   3.061
   48   1HB   LEU  15          1HB       LEU  15  10.527   1.085   0.875
   49   2HB   LEU  15          2HB       LEU  15   9.920  -0.287   1.787
   50    HG   LEU  15           HG       LEU  15  11.866  -0.718  -0.464
   51   1HD1  LEU  15          1HD1      LEU  15  11.380  -2.895  -0.133
   52   2HD1  LEU  15          2HD1      LEU  15   9.647  -2.576  -0.106
   53   3HD1  LEU  15          3HD1      LEU  15  10.601  -2.388   1.365
   54   1HD2  LEU  15          1HD2      LEU  15  10.272   0.476  -1.681
   55   2HD2  LEU  15          2HD2      LEU  15   8.948  -0.038  -0.637
   56   3HD2  LEU  15          3HD2      LEU  15   9.648  -1.169  -1.796
   57    H    LEU  16           H        LEU  16  13.491  -0.666   0.132
   58    HA   LEU  16           HA       LEU  16  13.618  -3.469   0.501
   59   2HB   LEU  16          1HB       LEU  16  15.896  -2.948  -0.823
   60   1HB   LEU  16          2HB       LEU  16  15.113  -1.373  -0.986
   61    HG   LEU  16           HG       LEU  16  13.534  -3.868  -1.484
   62   1HD1  LEU  16          1HD1      LEU  16  12.896  -1.911  -3.330
   63   2HD1  LEU  16          2HD1      LEU  16  13.315  -0.989  -1.883
   64   3HD1  LEU  16          3HD1      LEU  16  12.052  -2.217  -1.811
   65   1HD2  LEU  16          1HD2      LEU  16  15.695  -3.998  -2.801
   66   2HD2  LEU  16          2HD2      LEU  16  15.222  -2.497  -3.596
   67   3HD2  LEU  16          3HD2      LEU  16  14.236  -3.949  -3.792
   68    H    GLU  17           H        GLU  17  15.831  -0.874   1.559
   69    HA   GLU  17           HA       GLU  17  17.845  -2.470   2.766
   70   1HB   GLU  17          1HB       GLU  17  17.279   0.202   2.426
   71   2HB   GLU  17          2HB       GLU  17  18.629  -0.417   3.372
   72   2HG   GLU  17          1HG       GLU  17  17.271  -0.346   5.408
   73   1HG   GLU  17          2HG       GLU  17  15.873   0.195   4.481
   74    H    LYS  18           H        LYS  18  14.587  -1.763   3.851
   75    HA   LYS  18           HA       LYS  18  15.141  -2.923   6.545
   76   2HB   LYS  18          1HB       LYS  18  12.691  -2.069   6.807
   77   1HB   LYS  18          2HB       LYS  18  12.980  -1.248   5.275
   78   2HG   LYS  18          1HG       LYS  18  15.212  -0.490   6.533
   79   1HG   LYS  18          2HG       LYS  18  14.209  -0.763   7.957
   80   2HD   LYS  18          1HD       LYS  18  12.814   0.992   7.473
   81   1HD   LYS  18          2HD       LYS  18  12.948   0.752   5.731
   82   2HE   LYS  18          1HE       LYS  18  14.715   2.198   5.561
   83   1HE   LYS  18          2HE       LYS  18  15.463   1.600   7.055
   84   1HZ   LYS  18          1HZ       LYS  18  12.961   3.206   7.018
   85   2HZ   LYS  18          2HZ       LYS  18  14.496   3.917   7.158
   86   3HZ   LYS  18          3HZ       LYS  18  13.942   2.844   8.353
   87    H    VAL  19           H        VAL  19  13.291  -3.491   3.552
   88    HA   VAL  19           HA       VAL  19  11.667  -5.646   4.612
   89    HB   VAL  19           HB       VAL  19  11.459  -4.104   2.508
   90   1HG1  VAL  19          1HG1      VAL  19  12.291  -5.038   0.454
   91   2HG1  VAL  19          2HG1      VAL  19  12.889  -6.470   1.292
   92   3HG1  VAL  19          3HG1      VAL  19  13.652  -4.904   1.567
   93   1HG2  VAL  19          1HG2      VAL  19  10.631  -6.907   2.998
   94   2HG2  VAL  19          2HG2      VAL  19  10.394  -6.320   1.348
   95   3HG2  VAL  19          3HG2      VAL  19   9.637  -5.478   2.703
   96    H    LEU  20           H        LEU  20  14.804  -5.537   2.930
   97    HA   LEU  20           HA       LEU  20  15.072  -8.379   2.548
   98   1HB   LEU  20          1HB       LEU  20  16.411  -6.558   1.423
   99   2HB   LEU  20          2HB       LEU  20  17.408  -7.836   2.112
  100    HG   LEU  20           HG       LEU  20  16.790  -5.460   3.826
  101   1HD1  LEU  20          1HD1      LEU  20  18.460  -7.745   3.936
  102   2HD1  LEU  20          2HD1      LEU  20  18.402  -6.408   5.084
  103   3HD1  LEU  20          3HD1      LEU  20  19.534  -6.360   3.733
  104   1HD2  LEU  20          1HD2      LEU  20  18.546  -4.144   2.834
  105   2HD2  LEU  20          2HD2      LEU  20  17.461  -4.619   1.527
  106   3HD2  LEU  20          3HD2      LEU  20  18.996  -5.459   1.749
  107    H    GLU  21           H        GLU  21  15.546  -6.193   5.232
  108    HA   GLU  21           HA       GLU  21  17.012  -8.018   6.925
  109   2HB   GLU  21          1HB       GLU  21  15.231  -5.697   7.698
  110   1HB   GLU  21          2HB       GLU  21  16.852  -5.472   7.041
  111   2HG   GLU  21          1HG       GLU  21  17.800  -5.951   9.035
  112   1HG   GLU  21          2HG       GLU  21  16.852  -7.430   9.194
  113    H    LEU  22           H        LEU  22  13.606  -7.308   6.250
  114    HA   LEU  22           HA       LEU  22  12.545  -8.902   8.463
  115   2HB   LEU  22          1HB       LEU  22  10.412  -8.524   7.130
  116   1HB   LEU  22          2HB       LEU  22  11.395  -7.722   5.911
  117    HG   LEU  22           HG       LEU  22  11.659  -5.838   7.173
  118   1HD1  LEU  22          1HD1      LEU  22   9.227  -6.198   7.129
  119   2HD1  LEU  22          2HD1      LEU  22   9.709  -5.389   8.620
  120   3HD1  LEU  22          3HD1      LEU  22   9.328  -7.110   8.635
  121   1HD2  LEU  22          1HD2      LEU  22  11.672  -7.649   9.607
  122   2HD2  LEU  22          2HD2      LEU  22  11.794  -5.891   9.700
  123   3HD2  LEU  22          3HD2      LEU  22  13.052  -6.822   8.887
  124    H    ASN  23           H        ASN  23  13.661  -9.520   5.215
  125    HA   ASN  23           HA       ASN  23  12.273 -12.112   4.955
  126   2HB   ASN  23          1HB       ASN  23  13.946 -12.135   2.926
  127   1HB   ASN  23          2HB       ASN  23  14.228 -10.452   3.369
  128   1HD2  ASN  23          1HD2      ASN  23  12.779  -8.973   2.461
  129   2HD2  ASN  23          2HD2      ASN  23  11.249  -9.368   1.842
  130    H    ALA  24           H        ALA  24  15.261 -10.891   6.253
  131    HA   ALA  24           HA       ALA  24  16.692 -13.424   6.115
  132   1HB   ALA  24          1HB       ALA  24  17.245 -10.789   7.500
  133   2HB   ALA  24          2HB       ALA  24  17.801 -11.230   5.885
  134   3HB   ALA  24          3HB       ALA  24  18.416 -12.090   7.295
  135    H    LYS  25           H        LYS  25  15.033 -11.420   8.542
  136    HA   LYS  25           HA       LYS  25  15.572 -13.391  10.683
  137   1HB   LYS  25          1HB       LYS  25  14.524 -11.692  12.090
  138   2HB   LYS  25          2HB       LYS  25  13.916 -10.845  10.669
  139   2HG   LYS  25          1HG       LYS  25  16.423 -10.694   9.980
  140   1HG   LYS  25          2HG       LYS  25  16.746 -11.051  11.676
  141   1HD   LYS  25          1HD       LYS  25  14.891  -8.833  10.778
  142   2HD   LYS  25          2HD       LYS  25  16.607  -8.576  11.085
  143   2HE   LYS  25          1HE       LYS  25  16.373  -9.142  13.404
  144   1HE   LYS  25          2HE       LYS  25  14.751  -9.815  13.144
  145   1HZ   LYS  25          1HZ       LYS  25  14.635  -7.548  14.013
  146   2HZ   LYS  25          2HZ       LYS  25  14.011  -7.611  12.435
  147   3HZ   LYS  25          3HZ       LYS  25  15.564  -6.979  12.715
  148    H    GLY  26           H        GLY  26  13.049 -12.414   8.477
  149   2HA   GLY  26          1HA       GLY  26  11.328 -14.628   9.444
  150   1HA   GLY  26          2HA       GLY  26  11.131 -13.755   7.921
  151    H    GLU  27           H        GLU  27  11.649 -11.207   9.683
  152    HA   GLU  27           HA       GLU  27   9.314 -11.005  11.415
  153   2HB   GLU  27          1HB       GLU  27  10.102  -8.468  11.045
  154   1HB   GLU  27          2HB       GLU  27  11.524  -9.276  10.386
  155   2HG   GLU  27          1HG       GLU  27  12.232  -9.883  12.442
  156   1HG   GLU  27          2HG       GLU  27  10.640 -10.505  12.880
  157    H    LYS  28           H        LYS  28   7.256 -10.503  10.786
  158    HA   LYS  28           HA       LYS  28   6.836  -9.370   8.040
  159   2HB   LYS  28          1HB       LYS  28   4.512 -10.507   8.527
  160   1HB   LYS  28          2HB       LYS  28   5.404 -11.371   9.778
  161   2HG   LYS  28          1HG       LYS  28   7.125 -11.864   7.891
  162   1HG   LYS  28          2HG       LYS  28   5.825 -11.408   6.790
  163   2HD   LYS  28          1HD       LYS  28   5.365 -13.660   6.965
  164   1HD   LYS  28          2HD       LYS  28   4.442 -13.089   8.355
  165   2HE   LYS  28          1HE       LYS  28   5.727 -14.848   9.278
  166   1HE   LYS  28          2HE       LYS  28   6.722 -13.426   9.647
  167   1HZ   LYS  28          1HZ       LYS  28   7.977 -13.801   7.637
  168   2HZ   LYS  28          2HZ       LYS  28   6.969 -15.093   7.188
  169   3HZ   LYS  28          3HZ       LYS  28   7.981 -15.234   8.543
  170    H    ARG  29           H        ARG  29   7.411  -7.526   9.995
  171    HA   ARG  29           HA       ARG  29   4.918  -6.571  11.257
  172   2HB   ARG  29          1HB       ARG  29   7.743  -5.455  11.176
  173   1HB   ARG  29          2HB       ARG  29   7.130  -6.573  12.392
  174   2HG   ARG  29          1HG       ARG  29   5.254  -4.753  12.708
  175   1HG   ARG  29          2HG       ARG  29   6.435  -3.682  11.952
  176   1HD   ARG  29          1HD       ARG  29   7.142  -5.451  14.314
  177   2HD   ARG  29          2HD       ARG  29   6.537  -3.795  14.510
  178    HE   ARG  29           HE       ARG  29   8.511  -3.012  13.255
  179   1HH1  ARG  29          1HH1      ARG  29   9.468  -4.923  15.515
  180   2HH1  ARG  29          2HH1      ARG  29  10.701  -5.799  14.671
  181   1HH2  ARG  29          1HH2      ARG  29   9.662  -4.758  11.524
  182   2HH2  ARG  29          2HH2      ARG  29  10.812  -5.705  12.407
  183    H    LEU  30           H        LEU  30   7.203  -4.278   9.864
  184    HA   LEU  30           HA       LEU  30   5.692  -3.699   7.469
  185   1HB   LEU  30          1HB       LEU  30   4.584  -2.863   9.909
  186   2HB   LEU  30          2HB       LEU  30   4.104  -2.315   8.310
  187    HG   LEU  30           HG       LEU  30   6.168  -0.658   8.631
  188   1HD1  LEU  30          1HD1      LEU  30   4.222   0.618  10.170
  189   2HD1  LEU  30          2HD1      LEU  30   3.313  -0.545   9.206
  190   3HD1  LEU  30          3HD1      LEU  30   4.345   0.645   8.410
  191   1HD2  LEU  30          1HD2      LEU  30   6.643  -0.087  10.872
  192   2HD2  LEU  30          2HD2      LEU  30   6.592  -1.850  10.908
  193   3HD2  LEU  30          3HD2      LEU  30   5.210  -0.915  11.481
  194    H    ILE  31           H        ILE  31   6.776  -2.174   6.176
  195    HA   ILE  31           HA       ILE  31   9.332  -1.063   7.292
  196    HB   ILE  31           HB       ILE  31   8.538  -2.126   4.562
  197   1HG2  ILE  31          1HG2      ILE  31  10.849  -0.371   5.375
  198   2HG2  ILE  31          2HG2      ILE  31   9.839  -0.272   3.933
  199   3HG2  ILE  31          3HG2      ILE  31  11.050  -1.546   4.072
  200   2HG1  ILE  31          1HG1      ILE  31   9.779  -3.227   6.862
  201   1HG1  ILE  31          2HG1      ILE  31  11.044  -3.049   5.645
  202   1HD1  ILE  31          1HD1      ILE  31   9.623  -4.240   4.011
  203   2HD1  ILE  31          2HD1      ILE  31   8.369  -4.421   5.236
  204   3HD1  ILE  31          3HD1      ILE  31   9.920  -5.236   5.435
  205    H    LYS  32           H        LYS  32   9.208   1.124   7.526
  206    HA   LYS  32           HA       LYS  32   7.084   2.695   6.277
  207   1HB   LYS  32          1HB       LYS  32   8.009   4.479   7.648
  208   2HB   LYS  32          2HB       LYS  32   9.508   3.581   7.869
  209   1HG   LYS  32          1HG       LYS  32   8.024   3.407   9.853
  210   2HG   LYS  32          2HG       LYS  32   8.311   1.836   9.110
  211   2HD   LYS  32          1HD       LYS  32   6.039   1.665   9.225
  212   1HD   LYS  32          2HD       LYS  32   6.093   2.618   7.745
  213   1HE   LYS  32          1HE       LYS  32   6.251   4.290  10.155
  214   2HE   LYS  32          2HE       LYS  32   4.752   3.347  10.070
  215   1HZ   LYS  32          1HZ       LYS  32   4.323   4.164   7.900
  216   2HZ   LYS  32          2HZ       LYS  32   5.873   4.846   7.759
  217   3HZ   LYS  32          3HZ       LYS  32   4.739   5.523   8.825
  218    H    THR  33           H        THR  33   7.363   4.429   4.787
  219    HA   THR  33           HA       THR  33  10.013   4.624   3.394
  220    HB   THR  33           HB       THR  33   7.251   4.154   2.231
  221    HG1  THR  33          1HG       THR  33   8.003   2.206   2.409
  222   1HG2  THR  33          1HG2      THR  33   8.100   5.626   0.661
  223   2HG2  THR  33          2HG2      THR  33   8.762   4.106   0.060
  224   3HG2  THR  33          3HG2      THR  33   9.772   5.195   1.009
  225    H    TRP  34           H        TRP  34  10.310   6.707   2.284
  226    HA   TRP  34           HA       TRP  34   8.238   8.804   2.783
  227   1HB   TRP  34          1HB       TRP  34   9.936  10.243   3.833
  228   2HB   TRP  34          2HB       TRP  34  11.146   8.980   3.630
  229    HD1  TRP  34           HD       TRP  34   7.971   9.782   5.601
  230    HE3  TRP  34          3HE       TRP  34  11.950   6.779   4.604
  231    HE1  TRP  34          1HE       TRP  34   7.912   8.274   7.696
  232    HZ3  TRP  34          3HZ       TRP  34  12.612   4.985   6.184
  233    HZ2  TRP  34          2HZ       TRP  34   9.382   6.072   8.799
  234    HH2  TRP  34           HH       TRP  34  11.331   4.626   8.276
  235    H    SER  35           H        SER  35   9.455   7.496   0.293
  236    HA   SER  35           HA       SER  35  11.121   9.614  -0.888
  237   2HB   SER  35          1HB       SER  35  10.503   7.962  -2.940
  238   1HB   SER  35          2HB       SER  35  10.126   6.898  -1.587
  239    HG   SER  35           HG       SER  35  12.163   6.685  -1.219
  240    H    ARG  36           H        ARG  36   8.641   8.268  -2.946
  241    HA   ARG  36           HA       ARG  36   6.666  10.365  -2.705
  242   2HB   ARG  36          1HB       ARG  36   8.516  10.615  -5.093
  243   1HB   ARG  36          2HB       ARG  36   8.804  11.510  -3.601
  244   2HG   ARG  36          1HG       ARG  36   6.223  12.129  -3.920
  245   1HG   ARG  36          2HG       ARG  36   6.612  11.813  -5.611
  246   2HD   ARG  36          1HD       ARG  36   8.097  13.608  -5.736
  247   1HD   ARG  36          2HD       ARG  36   8.467  13.551  -4.000
  248    HE   ARG  36           HE       ARG  36   5.889  14.568  -5.153
  249   1HH1  ARG  36          1HH1      ARG  36   7.316  16.797  -4.236
  250   2HH1  ARG  36          2HH1      ARG  36   6.990  16.909  -2.538
  251   1HH2  ARG  36          1HH2      ARG  36   5.862  13.633  -2.269
  252   2HH2  ARG  36          2HH2      ARG  36   6.165  15.113  -1.422
  253    H    ARG  37           H        ARG  37   8.269   8.636  -5.415
  254    HA   ARG  37           HA       ARG  37   5.614   7.609  -6.310
  255   2HB   ARG  37          1HB       ARG  37   8.286   7.286  -7.688
  256   1HB   ARG  37          2HB       ARG  37   7.430   8.826  -7.741
  257   2HG   ARG  37          1HG       ARG  37   6.343   7.962  -9.533
  258   1HG   ARG  37          2HG       ARG  37   5.440   7.008  -8.357
  259   2HD   ARG  37          1HD       ARG  37   6.395   5.095  -9.120
  260   1HD   ARG  37          2HD       ARG  37   8.020   5.777  -8.908
  261    HE   ARG  37           HE       ARG  37   7.928   6.573 -11.178
  262   1HH1  ARG  37          1HH1      ARG  37   5.712   7.728 -12.105
  263   2HH1  ARG  37          2HH1      ARG  37   4.693   6.515 -12.805
  264   1HH2  ARG  37          1HH2      ARG  37   6.300   3.873 -11.219
  265   2HH2  ARG  37          2HH2      ARG  37   5.027   4.327 -12.303
  266    H    SER  38           H        SER  38   6.659   6.508  -3.920
  267    HA   SER  38           HA       SER  38   8.284   4.252  -3.993
  268   2HB   SER  38          1HB       SER  38   6.473   3.558  -2.144
  269   1HB   SER  38          2HB       SER  38   5.936   5.218  -2.422
  270    HG   SER  38           HG       SER  38   7.727   5.982  -1.619
  271    H    THR  39           H        THR  39   8.107   2.214  -4.797
  272    HA   THR  39           HA       THR  39   5.448   1.257  -5.805
  273    HB   THR  39           HB       THR  39   8.221   1.101  -7.034
  274    HG1  THR  39          1HG       THR  39   7.378   2.858  -7.843
  275   1HG2  THR  39          1HG2      THR  39   7.445  -1.015  -7.605
  276   2HG2  THR  39          2HG2      THR  39   6.745  -0.064  -8.914
  277   3HG2  THR  39          3HG2      THR  39   5.751  -0.526  -7.532
  278    H    ILE  40           H        ILE  40   5.310  -1.151  -5.849
  279    HA   ILE  40           HA       ILE  40   6.494  -2.318  -3.431
  280    HB   ILE  40           HB       ILE  40   4.945  -3.792  -5.555
  281   1HG2  ILE  40          1HG2      ILE  40   5.776  -5.030  -3.603
  282   2HG2  ILE  40          2HG2      ILE  40   4.017  -4.921  -3.574
  283   3HG2  ILE  40          3HG2      ILE  40   4.983  -3.875  -2.529
  284   1HG1  ILE  40          1HG1      ILE  40   4.100  -1.382  -4.203
  285   2HG1  ILE  40          2HG1      ILE  40   3.138  -2.747  -3.640
  286   1HD1  ILE  40          1HD1      ILE  40   2.577  -3.348  -5.928
  287   2HD1  ILE  40          2HD1      ILE  40   3.651  -2.101  -6.555
  288   3HD1  ILE  40          3HD1      ILE  40   2.191  -1.648  -5.679
  289    H    VAL  41           H        VAL  41   7.631  -4.423  -3.451
  290    HA   VAL  41           HA       VAL  41   9.243  -4.947  -5.935
  291    HB   VAL  41           HB       VAL  41  10.918  -5.690  -3.904
  292   1HG1  VAL  41          1HG1      VAL  41  11.698  -3.099  -4.293
  293   2HG1  VAL  41          2HG1      VAL  41  10.630  -3.340  -5.674
  294   3HG1  VAL  41          3HG1      VAL  41  12.010  -4.409  -5.430
  295   1HG2  VAL  41          1HG2      VAL  41  10.920  -4.037  -2.154
  296   2HG2  VAL  41          2HG2      VAL  41   9.279  -4.672  -2.247
  297   3HG2  VAL  41          3HG2      VAL  41   9.657  -3.099  -2.948
  298    HA   PRO  42           HA       PRO  42   8.370  -9.182  -5.449
  299   2HB   PRO  42          1HB       PRO  42   9.919  -9.633  -7.092
  300   1HB   PRO  42          2HB       PRO  42  10.815 -10.371  -5.750
  301   1HG   PRO  42          1HG       PRO  42  11.895  -8.459  -7.236
  302   2HG   PRO  42          2HG       PRO  42  12.166  -8.519  -5.485
  303   2HD   PRO  42          1HD       PRO  42  10.375  -6.737  -7.078
  304   1HD   PRO  42          2HD       PRO  42  11.347  -6.371  -5.634
  305    H    GLU  43           H        GLU  43  11.018  -7.965  -3.462
  306    HA   GLU  43           HA       GLU  43  10.933 -10.191  -1.564
  307   1HB   GLU  43          1HB       GLU  43  12.967  -8.870  -2.103
  308   2HB   GLU  43          2HB       GLU  43  12.595  -8.819  -0.380
  309   2HG   GLU  43          1HG       GLU  43  12.099  -6.592  -0.428
  310   1HG   GLU  43          2HG       GLU  43  11.327  -6.691  -2.007
  311    H    MET  44           H        MET  44   8.687  -7.855  -2.127
  312    HA   MET  44           HA       MET  44   8.138  -7.158   0.714
  313   2HB   MET  44          1HB       MET  44   6.217  -6.056  -0.999
  314   1HB   MET  44          2HB       MET  44   7.705  -6.052  -1.942
  315   2HG   MET  44          1HG       MET  44   8.713  -4.536  -0.574
  316   1HG   MET  44          2HG       MET  44   7.974  -5.208   0.876
  317   1HE   MET  44          1HE       MET  44   8.098  -1.822  -0.619
  318   2HE   MET  44          2HE       MET  44   6.730  -1.777  -1.723
  319   3HE   MET  44          3HE       MET  44   8.007  -2.966  -1.962
  320    H    VAL  45           H        VAL  45   7.273  -9.562  -1.486
  321    HA   VAL  45           HA       VAL  45   4.550 -10.027  -1.390
  322    HB   VAL  45           HB       VAL  45   6.946 -11.866  -1.217
  323   1HG1  VAL  45          1HG1      VAL  45   5.150 -13.427  -2.414
  324   2HG1  VAL  45          2HG1      VAL  45   4.034 -12.483  -1.430
  325   3HG1  VAL  45          3HG1      VAL  45   5.323 -13.404  -0.660
  326   1HG2  VAL  45          1HG2      VAL  45   6.839 -10.385  -3.174
  327   2HG2  VAL  45          2HG2      VAL  45   5.197 -10.934  -3.514
  328   3HG2  VAL  45          3HG2      VAL  45   6.550 -12.058  -3.654
  329    H    GLY  46           H        GLY  46   6.427  -9.885   1.485
  330   2HA   GLY  46          1HA       GLY  46   5.808 -11.736   3.283
  331   1HA   GLY  46          2HA       GLY  46   4.189 -11.098   2.990
  332    H    HIS  47           H        HIS  47   4.944  -8.344   2.628
  333    HA   HIS  47           HA       HIS  47   5.606  -7.648   5.454
  334   1HB   HIS  47          1HB       HIS  47   7.277  -6.059   4.721
  335   2HB   HIS  47          2HB       HIS  47   6.856  -6.325   3.031
  336    HD1  HIS  47          1HD       HIS  47   8.765  -7.827   5.875
  337    HD2  HIS  47          2HD       HIS  47   7.807  -8.786   1.936
  338    HE1  HIS  47          1HE       HIS  47  10.253  -9.774   5.231
  339    H    THR  48           H        THR  48   4.673  -5.726   6.156
  340    HA   THR  48           HA       THR  48   2.595  -4.518   4.404
  341    HB   THR  48           HB       THR  48   2.851  -3.797   7.283
  342    HG1  THR  48          1HG       THR  48   3.029  -5.784   7.902
  343   1HG2  THR  48          1HG2      THR  48   0.925  -3.477   5.435
  344   2HG2  THR  48          2HG2      THR  48   0.572  -3.611   7.158
  345   3HG2  THR  48          3HG2      THR  48   0.411  -5.022   6.112
  346    H    ILE  49           H        ILE  49   4.325  -3.389   3.227
  347    HA   ILE  49           HA       ILE  49   6.041  -1.516   4.705
  348    HB   ILE  49           HB       ILE  49   5.592  -2.069   1.762
  349   1HG2  ILE  49          1HG2      ILE  49   6.531   0.228   2.335
  350   2HG2  ILE  49          2HG2      ILE  49   7.578  -0.777   1.335
  351   3HG2  ILE  49          3HG2      ILE  49   7.909  -0.603   3.058
  352   2HG1  ILE  49          1HG1      ILE  49   6.600  -4.008   2.476
  353   1HG1  ILE  49          2HG1      ILE  49   7.249  -3.258   3.930
  354   1HD1  ILE  49          1HD1      ILE  49   8.354  -2.506   1.236
  355   2HD1  ILE  49          2HD1      ILE  49   8.893  -3.984   2.029
  356   3HD1  ILE  49          3HD1      ILE  49   9.133  -2.426   2.815
  357    H    ALA  50           H        ALA  50   5.469   0.514   5.237
  358    HA   ALA  50           HA       ALA  50   3.015   1.688   4.208
  359   1HB   ALA  50          1HB       ALA  50   3.649   2.034   6.513
  360   2HB   ALA  50          2HB       ALA  50   3.746   3.596   5.692
  361   3HB   ALA  50          3HB       ALA  50   5.218   2.679   6.030
  362    H    VAL  51           H        VAL  51   3.643   1.637   1.958
  363    HA   VAL  51           HA       VAL  51   5.893   3.005   0.856
  364    HB   VAL  51           HB       VAL  51   4.589   2.896  -1.232
  365   1HG1  VAL  51          1HG1      VAL  51   3.846   0.395   0.253
  366   2HG1  VAL  51          2HG1      VAL  51   5.547   0.805   0.034
  367   3HG1  VAL  51          3HG1      VAL  51   4.509   0.573  -1.372
  368   1HG2  VAL  51          1HG2      VAL  51   2.228   1.966  -1.079
  369   2HG2  VAL  51          2HG2      VAL  51   2.411   3.625  -0.510
  370   3HG2  VAL  51          3HG2      VAL  51   2.289   2.303   0.651
  371    H    TYR  52           H        TYR  52   6.300   5.156   0.609
  372    HA   TYR  52           HA       TYR  52   4.409   7.121   1.647
  373   2HB   TYR  52          1HB       TYR  52   7.015   7.547   0.149
  374   1HB   TYR  52          2HB       TYR  52   6.945   7.150   1.866
  375    HD1  TYR  52          1HD       TYR  52   5.003   8.650   3.129
  376    HE1  TYR  52          1HE       TYR  52   4.627  11.035   3.683
  377    HE2  TYR  52          2HE       TYR  52   6.925  12.192   0.244
  378    HD2  TYR  52          2HD       TYR  52   7.301   9.804  -0.305
  379    HH   TYR  52           HH       TYR  52   6.247  13.381   2.894
  380    H    ASN  53           H        ASN  53   2.632   7.463   0.343
  381    HA   ASN  53           HA       ASN  53   2.653   7.293  -2.547
  382   2HB   ASN  53          1HB       ASN  53   0.777   8.476  -0.478
  383   1HB   ASN  53          2HB       ASN  53   0.663   6.888  -1.231
  384   1HD2  ASN  53          1HD2      ASN  53  -0.174  10.249  -1.581
  385   2HD2  ASN  53          2HD2      ASN  53  -0.913  10.119  -3.104
  386    H    GLY  54           H        GLY  54   4.063   9.590  -0.583
  387   2HA   GLY  54          1HA       GLY  54   3.647  11.781  -2.575
  388   1HA   GLY  54          2HA       GLY  54   5.209  11.466  -1.808
  389    H    LYS  55           H        LYS  55   2.413  10.953   0.124
  390    HA   LYS  55           HA       LYS  55   3.037  13.379   1.734
  391   2HB   LYS  55          1HB       LYS  55   1.184  14.164   0.544
  392   1HB   LYS  55          2HB       LYS  55   0.414  13.448   1.957
  393   2HG   LYS  55          1HG       LYS  55   0.052  11.348   0.675
  394   1HG   LYS  55          2HG       LYS  55   0.752  12.119  -0.747
  395   1HD   LYS  55          1HD       LYS  55  -1.527  13.450   0.692
  396   2HD   LYS  55          2HD       LYS  55  -1.858  12.122  -0.421
  397   1HE   LYS  55          1HE       LYS  55  -0.069  14.386  -1.302
  398   2HE   LYS  55          2HE       LYS  55  -1.831  14.578  -1.360
  399   1HZ   LYS  55          1HZ       LYS  55  -0.207  12.416  -2.608
  400   2HZ   LYS  55          2HZ       LYS  55  -1.106  13.608  -3.416
  401   3HZ   LYS  55          3HZ       LYS  55  -1.902  12.395  -2.531
  402    H    GLN  56           H        GLN  56   1.689  10.109   1.554
  403    HA   GLN  56           HA       GLN  56   1.871   9.927   4.534
  404   1HB   GLN  56          1HB       GLN  56  -0.402  10.099   2.926
  405   2HB   GLN  56          2HB       GLN  56  -0.352   9.632   4.622
  406   1HG   GLN  56          1HG       GLN  56   0.359   7.385   2.950
  407   2HG   GLN  56          2HG       GLN  56  -1.181   8.058   2.441
  408   1HE2  GLN  56          1HE2      GLN  56   0.529   7.112   5.488
  409   2HE2  GLN  56          2HE2      GLN  56  -0.867   6.546   6.264
  410    H    HIS  57           H        HIS  57   2.248   7.820   5.358
  411    HA   HIS  57           HA       HIS  57   3.570   5.940   3.455
  412   1HB   HIS  57          1HB       HIS  57   4.992   5.482   5.196
  413   2HB   HIS  57          2HB       HIS  57   3.697   5.448   6.375
  414    HD1  HIS  57          1HD       HIS  57   5.973   7.897   4.591
  415    HD2  HIS  57          2HD       HIS  57   3.377   7.800   7.849
  416    HE1  HIS  57          1HE       HIS  57   6.242  10.112   5.790
  417    H    VAL  58           H        VAL  58   1.930   4.547   2.708
  418    HA   VAL  58           HA       VAL  58  -0.168   3.635   4.615
  419    HB   VAL  58           HB       VAL  58   0.211   3.082   1.651
  420   1HG1  VAL  58          1HG1      VAL  58  -1.394   1.677   3.135
  421   2HG1  VAL  58          2HG1      VAL  58  -2.040   2.372   1.648
  422   3HG1  VAL  58          3HG1      VAL  58  -2.377   3.139   3.200
  423   1HG2  VAL  58          1HG2      VAL  58  -1.389   4.947   1.307
  424   2HG2  VAL  58          2HG2      VAL  58   0.096   5.512   2.071
  425   3HG2  VAL  58          3HG2      VAL  58  -1.360   5.281   3.037
  426    HA   PRO  59           HA       PRO  59   2.649   0.065   5.131
  427   2HB   PRO  59          1HB       PRO  59   2.555   0.393   7.430
  428   1HB   PRO  59          2HB       PRO  59   1.352  -0.911   7.347
  429   1HG   PRO  59          1HG       PRO  59   0.752   1.461   8.398
  430   2HG   PRO  59          2HG       PRO  59  -0.424   0.571   7.415
  431   2HD   PRO  59          1HD       PRO  59   1.252   2.943   6.700
  432   1HD   PRO  59          2HD       PRO  59  -0.420   2.558   6.235
  433    H    VAL  60           H        VAL  60   1.875  -0.865   3.253
  434    HA   VAL  60           HA       VAL  60  -0.694  -2.387   3.400
  435    HB   VAL  60           HB       VAL  60   1.089  -1.469   1.126
  436   1HG1  VAL  60          1HG1      VAL  60  -1.554  -2.954   1.078
  437   2HG1  VAL  60          2HG1      VAL  60   0.010  -3.586   0.552
  438   3HG1  VAL  60          3HG1      VAL  60  -0.756  -2.261  -0.334
  439   1HG2  VAL  60          1HG2      VAL  60  -1.630  -0.577   2.139
  440   2HG2  VAL  60          2HG2      VAL  60  -0.914  -0.034   0.621
  441   3HG2  VAL  60          3HG2      VAL  60  -0.135   0.360   2.155
  442    H    TYR  61           H        TYR  61  -0.585  -4.570   3.606
  443    HA   TYR  61           HA       TYR  61   1.932  -6.032   3.470
  444   2HB   TYR  61          1HB       TYR  61  -0.780  -7.328   3.323
  445   1HB   TYR  61          2HB       TYR  61  -0.357  -6.436   4.785
  446    HD1  TYR  61          1HD       TYR  61   0.834  -7.527   6.466
  447    HE1  TYR  61          1HE       TYR  61   2.193  -9.441   7.247
  448    HE2  TYR  61          2HE       TYR  61   2.427 -10.917   3.217
  449    HD2  TYR  61          2HD       TYR  61   1.078  -8.997   2.437
  450    HH   TYR  61           HH       TYR  61   4.062 -11.074   5.825
  451    H    ILE  62           H        ILE  62   2.835  -6.265   1.476
  452    HA   ILE  62           HA       ILE  62   1.520  -5.986  -1.019
  453    HB   ILE  62           HB       ILE  62   4.129  -7.008  -0.015
  454   1HG2  ILE  62          1HG2      ILE  62   3.892  -8.492  -1.853
  455   2HG2  ILE  62          2HG2      ILE  62   4.806  -7.132  -2.502
  456   3HG2  ILE  62          3HG2      ILE  62   3.079  -7.274  -2.834
  457   1HG1  ILE  62          1HG1      ILE  62   3.233  -4.764  -1.830
  458   2HG1  ILE  62          2HG1      ILE  62   4.916  -5.120  -1.449
  459   1HD1  ILE  62          1HD1      ILE  62   2.748  -4.254   0.458
  460   2HD1  ILE  62          2HD1      ILE  62   4.225  -3.390   0.039
  461   3HD1  ILE  62          3HD1      ILE  62   4.311  -4.873   0.996
  462    H    THR  63           H        THR  63   2.782  -9.027   0.369
  463    HA   THR  63           HA       THR  63   2.048 -11.253   0.091
  464    HB   THR  63           HB       THR  63  -0.370 -10.137  -1.346
  465    HG1  THR  63          1HG       THR  63  -0.886  -9.108   0.392
  466   1HG2  THR  63          1HG2      THR  63  -0.255 -12.539  -1.257
  467   2HG2  THR  63          2HG2      THR  63  -1.450 -12.027  -0.065
  468   3HG2  THR  63          3HG2      THR  63   0.164 -12.507   0.456
  469    H    GLU  64           H        GLU  64   1.844 -12.807  -1.809
  470    HA   GLU  64           HA       GLU  64   3.410 -11.795  -4.066
  471   2HB   GLU  64          1HB       GLU  64   2.091 -14.477  -4.132
  472   1HB   GLU  64          2HB       GLU  64   3.195 -14.176  -2.790
  473   2HG   GLU  64          1HG       GLU  64   4.625 -15.026  -4.449
  474   1HG   GLU  64          2HG       GLU  64   4.807 -13.283  -4.643
  475    H    ASN  65           H        ASN  65   1.354 -10.194  -4.346
  476    HA   ASN  65           HA       ASN  65  -0.038 -11.067  -6.755
  477   2HB   ASN  65          1HB       ASN  65  -1.700 -10.545  -4.283
  478   1HB   ASN  65          2HB       ASN  65  -1.211 -12.166  -4.777
  479   1HD2  ASN  65          1HD2      ASN  65  -3.316  -9.442  -5.576
  480   2HD2  ASN  65          2HD2      ASN  65  -4.178 -10.234  -6.804
  481    H    MET  66           H        MET  66   0.247  -8.604  -4.156
  482    HA   MET  66           HA       MET  66  -1.009  -6.586  -5.966
  483   2HB   MET  66          1HB       MET  66  -0.915  -5.217  -3.900
  484   1HB   MET  66          2HB       MET  66  -0.104  -6.553  -3.083
  485   2HG   MET  66          1HG       MET  66  -2.207  -7.905  -4.041
  486   1HG   MET  66          2HG       MET  66  -2.945  -6.305  -3.984
  487   1HE   MET  66          1HE       MET  66  -4.699  -7.233  -2.413
  488   2HE   MET  66          2HE       MET  66  -4.227  -5.580  -2.028
  489   3HE   MET  66          3HE       MET  66  -4.504  -6.735  -0.727
  490    H    VAL  67           H        VAL  67   2.044  -7.776  -5.803
  491    HA   VAL  67           HA       VAL  67   3.504  -5.207  -5.648
  492    HB   VAL  67           HB       VAL  67   4.398  -7.253  -4.624
  493   1HG1  VAL  67          1HG1      VAL  67   3.631  -9.076  -5.857
  494   2HG1  VAL  67          2HG1      VAL  67   5.295  -8.966  -6.432
  495   3HG1  VAL  67          3HG1      VAL  67   3.981  -8.306  -7.406
  496   1HG2  VAL  67          1HG2      VAL  67   6.033  -5.645  -5.425
  497   2HG2  VAL  67          2HG2      VAL  67   5.922  -6.289  -7.061
  498   3HG2  VAL  67          3HG2      VAL  67   6.631  -7.266  -5.776
  499    H    GLY  68           H        GLY  68   5.020  -4.579  -7.380
  500   2HA   GLY  68          1HA       GLY  68   4.268  -5.513 -10.108
  501   1HA   GLY  68          2HA       GLY  68   5.804  -4.765  -9.679
  502    H    HIS  69           H        HIS  69   3.027  -3.244  -8.290
  503    HA   HIS  69           HA       HIS  69   3.059  -1.213 -10.491
  504   2HB   HIS  69          1HB       HIS  69   0.772  -0.688  -9.565
  505   1HB   HIS  69          2HB       HIS  69   0.946  -2.051  -8.468
  506    HD1  HIS  69          1HD       HIS  69  -0.663  -1.369 -11.484
  507    HD2  HIS  69          2HD       HIS  69   1.933  -4.434 -10.353
  508    HE1  HIS  69          1HE       HIS  69  -1.038  -3.266 -13.119
  509    H    LYS  70           H        LYS  70   1.710  -0.741  -7.290
  510    HA   LYS  70           HA       LYS  70   3.830   0.603  -5.985
  511   2HB   LYS  70          1HB       LYS  70   3.919   2.287  -7.625
  512   1HB   LYS  70          2HB       LYS  70   2.847   2.995  -6.421
  513   1HG   LYS  70          1HG       LYS  70   1.567   1.312  -8.505
  514   2HG   LYS  70          2HG       LYS  70   2.214   2.857  -9.040
  515   2HD   LYS  70          1HD       LYS  70   0.943   3.633  -6.771
  516   1HD   LYS  70          2HD       LYS  70  -0.077   2.273  -7.241
  517   1HE   LYS  70          1HE       LYS  70   0.609   3.976  -9.529
  518   2HE   LYS  70          2HE       LYS  70  -0.267   4.858  -8.263
  519   1HZ   LYS  70          1HZ       LYS  70  -1.771   3.678  -9.796
  520   2HZ   LYS  70          2HZ       LYS  70  -1.908   3.095  -8.208
  521   3HZ   LYS  70          3HZ       LYS  70  -1.048   2.204  -9.371
  522    H    LEU  71           H        LEU  71   0.479   0.518  -6.707
  523    HA   LEU  71           HA       LEU  71  -0.482  -0.047  -4.079
  524   1HB   LEU  71          1HB       LEU  71   0.353   2.465  -4.108
  525   2HB   LEU  71          2HB       LEU  71  -1.131   2.038  -3.265
  526    HG   LEU  71           HG       LEU  71  -1.426   2.714  -6.145
  527   1HD1  LEU  71          1HD1      LEU  71  -3.481   2.399  -5.119
  528   2HD1  LEU  71          2HD1      LEU  71  -3.288   4.136  -4.882
  529   3HD1  LEU  71          3HD1      LEU  71  -2.919   3.020  -3.567
  530   1HD2  LEU  71          1HD2      LEU  71  -1.091   5.034  -5.918
  531   2HD2  LEU  71          2HD2      LEU  71   0.282   4.352  -5.048
  532   3HD2  LEU  71          3HD2      LEU  71  -1.113   4.959  -4.157
  533    H    GLY  72           H        GLY  72  -1.050   0.714  -7.440
  534   2HA   GLY  72          1HA       GLY  72  -2.934   0.523  -8.812
  535   1HA   GLY  72          2HA       GLY  72  -3.939   0.732  -7.378
  536    H    GLU  73           H        GLU  73  -1.613  -1.765  -7.085
  537    HA   GLU  73           HA       GLU  73  -3.257  -3.938  -8.191
  538   2HB   GLU  73          1HB       GLU  73  -1.387  -5.199  -6.802
  539   1HB   GLU  73          2HB       GLU  73  -0.652  -3.600  -6.726
  540   2HG   GLU  73          1HG       GLU  73   0.250  -4.153  -8.728
  541   1HG   GLU  73          2HG       GLU  73  -1.345  -3.774  -9.375
  542    H    PHE  74           H        PHE  74  -2.944  -2.169  -5.271
  543    HA   PHE  74           HA       PHE  74  -4.284  -4.223  -3.596
  544   1HB   PHE  74          1HB       PHE  74  -3.624  -2.790  -1.777
  545   2HB   PHE  74          2HB       PHE  74  -3.343  -1.434  -2.862
  546    HD1  PHE  74          1HD       PHE  74  -1.422  -1.637  -4.586
  547    HE1  PHE  74          1HE       PHE  74   0.945  -2.253  -4.763
  548    HZ   PHE  74           HZ       PHE  74   1.919  -3.901  -3.208
  549    HE2  PHE  74          2HE       PHE  74   0.502  -4.927  -1.450
  550    HD2  PHE  74          2HD       PHE  74  -1.879  -4.311  -1.263
  551    H    ALA  75           H        ALA  75  -4.830  -1.280  -5.392
  552    HA   ALA  75           HA       ALA  75  -7.673  -1.226  -4.448
  553   1HB   ALA  75          1HB       ALA  75  -6.529   0.573  -3.345
  554   2HB   ALA  75          2HB       ALA  75  -7.379   1.313  -4.702
  555   3HB   ALA  75          3HB       ALA  75  -5.647   0.997  -4.812
  556    HA   PRO  76           HA       PRO  76  -7.137  -1.042  -9.104
  557   2HB   PRO  76          1HB       PRO  76  -6.016  -3.038  -9.424
  558   1HB   PRO  76          2HB       PRO  76  -7.643  -3.640  -9.791
  559   1HG   PRO  76          1HG       PRO  76  -6.025  -4.587  -7.783
  560   2HG   PRO  76          2HG       PRO  76  -7.785  -4.749  -7.824
  561   2HD   PRO  76          1HD       PRO  76  -6.146  -3.191  -6.037
  562   1HD   PRO  76          2HD       PRO  76  -7.898  -3.464  -5.979
  563    H    THR  77           H        THR  77  -9.295  -0.226  -7.627
  564    HA   THR  77           HA       THR  77 -11.744  -1.696  -8.079
  565    HB   THR  77           HB       THR  77 -11.214   1.254  -7.566
  566    HG1  THR  77          1HG       THR  77 -10.556   0.462  -5.743
  567   1HG2  THR  77          1HG2      THR  77 -13.489   0.987  -8.285
  568   2HG2  THR  77          2HG2      THR  77 -13.525   1.115  -6.526
  569   3HG2  THR  77          3HG2      THR  77 -13.694  -0.460  -7.299
  570    H    ARG  78           H        ARG  78 -13.156  -1.616  -9.821
  571    HA   ARG  78           HA       ARG  78 -12.210  -0.463 -12.342
  572   2HB   ARG  78          1HB       ARG  78 -14.509  -1.430 -13.053
  573   1HB   ARG  78          2HB       ARG  78 -14.615  -2.034 -11.400
  574   2HG   ARG  78          1HG       ARG  78 -12.337  -3.105 -11.770
  575   1HG   ARG  78          2HG       ARG  78 -12.507  -2.687 -13.476
  576   2HD   ARG  78          1HD       ARG  78 -13.892  -4.455 -13.825
  577   1HD   ARG  78          2HD       ARG  78 -14.919  -3.983 -12.458
  578    HE   ARG  78           HE       ARG  78 -12.957  -5.021 -11.048
  579   1HH1  ARG  78          1HH1      ARG  78 -14.862  -7.098 -11.627
  580   2HH1  ARG  78          2HH1      ARG  78 -13.966  -8.267 -12.539
  581   1HH2  ARG  78          1HH2      ARG  78 -11.396  -6.065 -13.334
  582   2HH2  ARG  78          2HH2      ARG  78 -11.998  -7.680 -13.508
  583    H    THR  79           H        THR  79 -15.135   0.031 -10.310
  584    HA   THR  79           HA       THR  79 -15.309   2.820 -11.407
  585    HB   THR  79           HB       THR  79 -17.837   2.412 -11.210
  586    HG1  THR  79          1HG       THR  79 -18.357   0.584 -10.358
  587   1HG2  THR  79          1HG2      THR  79 -17.956   1.356 -13.375
  588   2HG2  THR  79          2HG2      THR  79 -16.368   0.618 -13.156
  589   3HG2  THR  79          3HG2      THR  79 -16.510   2.365 -13.350
  590    H    TYR  80           H        TYR  80 -16.613   0.716  -8.792
  591    HA   TYR  80           HA       TYR  80 -15.914   2.819  -6.803
  592   2HB   TYR  80          1HB       TYR  80 -18.617   1.703  -6.470
  593   1HB   TYR  80          2HB       TYR  80 -18.428   2.635  -7.955
  594    HD1  TYR  80          1HD       TYR  80 -17.877   5.019  -7.892
  595    HE1  TYR  80          1HE       TYR  80 -17.998   7.123  -6.585
  596    HE2  TYR  80          2HE       TYR  80 -18.471   4.853  -2.970
  597    HD2  TYR  80          2HD       TYR  80 -18.350   2.749  -4.275
  598    HH   TYR  80           HH       TYR  80 -19.230   7.560  -3.913

  No H/Q in entry =         598
  Start of MODEL   16
    1    H    GLY   8           H        GLY   8   9.541  -0.919 -11.444
    2   2HA   GLY   8          1HA       GLY   8   8.194   0.926 -13.337
    3   1HA   GLY   8          2HA       GLY   8   9.333  -0.347 -13.778
    4    H    VAL   9           H        VAL   9   9.030   2.930 -12.518
    5    HA   VAL   9           HA       VAL   9  11.673   3.637 -13.570
    6    HB   VAL   9           HB       VAL   9   9.521   5.138 -12.046
    7   1HG1  VAL   9          1HG1      VAL   9  12.113   6.079 -13.295
    8   2HG1  VAL   9          2HG1      VAL   9  11.564   6.316 -11.636
    9   3HG1  VAL   9          3HG1      VAL   9  10.769   7.170 -12.959
   10   1HG2  VAL   9          1HG2      VAL   9   8.779   4.469 -14.250
   11   2HG2  VAL   9          2HG2      VAL   9  10.302   4.985 -14.973
   12   3HG2  VAL   9          3HG2      VAL   9   9.183   6.184 -14.324
   13    H    PHE  10           H        PHE  10  10.188   3.339 -10.348
   14    HA   PHE  10           HA       PHE  10  12.854   2.938  -9.148
   15   2HB   PHE  10          1HB       PHE  10  11.123   5.371  -8.849
   16   1HB   PHE  10          2HB       PHE  10  12.873   5.264  -8.983
   17    HD1  PHE  10          1HD       PHE  10  14.268   4.856  -7.021
   18    HE1  PHE  10          1HE       PHE  10  14.449   4.897  -4.551
   19    HZ   PHE  10           HZ       PHE  10  12.408   4.930  -3.150
   20    HE2  PHE  10          2HE       PHE  10  10.157   4.925  -4.226
   21    HD2  PHE  10          2HD       PHE  10   9.986   4.888  -6.703
   22    H    VAL  11           H        VAL  11  12.713   2.130  -6.972
   23    HA   VAL  11           HA       VAL  11   9.998   1.410  -5.960
   24    HB   VAL  11           HB       VAL  11  10.795  -0.541  -7.176
   25   1HG1  VAL  11          1HG1      VAL  11  13.229   0.213  -7.143
   26   2HG1  VAL  11          2HG1      VAL  11  12.969  -1.512  -6.885
   27   3HG1  VAL  11          3HG1      VAL  11  13.327  -0.460  -5.516
   28   1HG2  VAL  11          1HG2      VAL  11  10.946  -0.613  -4.178
   29   2HG2  VAL  11          2HG2      VAL  11  11.370  -2.064  -5.084
   30   3HG2  VAL  11          3HG2      VAL  11   9.766  -1.356  -5.259
   31    H    ASP  12           H        ASP  12   9.912   2.248  -3.919
   32    HA   ASP  12           HA       ASP  12  11.516   3.634  -2.345
   33   2HB   ASP  12          1HB       ASP  12  10.608   2.403  -0.360
   34   1HB   ASP  12          2HB       ASP  12  10.028   1.156  -1.457
   35    H    ASP  13           H        ASP  13  13.785   3.396  -2.491
   36    HA   ASP  13           HA       ASP  13  15.161   0.893  -2.176
   37   2HB   ASP  13          1HB       ASP  13  17.038   2.750  -1.662
   38   1HB   ASP  13          2HB       ASP  13  15.795   3.808  -2.333
   39    H    HIS  14           H        HIS  14  13.923   3.357  -0.055
   40    HA   HIS  14           HA       HIS  14  15.406   2.585   2.313
   41   2HB   HIS  14          1HB       HIS  14  12.913   3.943   2.826
   42   1HB   HIS  14          2HB       HIS  14  13.662   4.640   1.386
   43    HD1  HIS  14          1HD       HIS  14  16.529   4.803   1.904
   44    HD2  HIS  14          2HD       HIS  14  13.811   5.336   5.021
   45    HE1  HIS  14          1HE       HIS  14  17.758   6.072   3.718
   46    H    LEU  15           H        LEU  15  12.699   1.287   0.634
   47    HA   LEU  15           HA       LEU  15  11.467   0.033   3.001
   48   2HB   LEU  15          1HB       LEU  15  10.780   0.752   0.303
   49   1HB   LEU  15          2HB       LEU  15   9.709   0.194   1.577
   50    HG   LEU  15           HG       LEU  15  11.317  -1.683  -0.177
   51   1HD1  LEU  15          1HD1      LEU  15  10.612  -3.180   1.365
   52   2HD1  LEU  15          2HD1      LEU  15   8.964  -2.860   0.827
   53   3HD1  LEU  15          3HD1      LEU  15   9.640  -1.957   2.180
   54   1HD2  LEU  15          1HD2      LEU  15   8.834  -2.062  -1.051
   55   2HD2  LEU  15          2HD2      LEU  15   9.857  -0.806  -1.749
   56   3HD2  LEU  15          3HD2      LEU  15   8.641  -0.385  -0.542
   57    H    LEU  16           H        LEU  16  13.537  -0.788   0.267
   58    HA   LEU  16           HA       LEU  16  13.621  -3.649   0.689
   59   2HB   LEU  16          1HB       LEU  16  15.821  -3.205  -0.683
   60   1HB   LEU  16          2HB       LEU  16  15.169  -1.567  -0.808
   61    HG   LEU  16           HG       LEU  16  13.008  -3.316  -1.259
   62   1HD1  LEU  16          1HD1      LEU  16  12.734  -1.928  -3.050
   63   2HD1  LEU  16          2HD1      LEU  16  14.390  -2.164  -3.611
   64   3HD1  LEU  16          3HD1      LEU  16  14.055  -1.024  -2.305
   65   1HD2  LEU  16          1HD2      LEU  16  13.848  -4.668  -3.156
   66   2HD2  LEU  16          2HD2      LEU  16  14.634  -5.104  -1.638
   67   3HD2  LEU  16          3HD2      LEU  16  15.486  -4.106  -2.816
   68    H    GLU  17           H        GLU  17  15.750  -0.933   1.621
   69    HA   GLU  17           HA       GLU  17  17.832  -2.362   2.875
   70   1HB   GLU  17          1HB       GLU  17  17.709   0.089   2.420
   71   2HB   GLU  17          2HB       GLU  17  18.236  -0.271   4.064
   72   2HG   GLU  17          1HG       GLU  17  15.483  -0.201   4.286
   73   1HG   GLU  17          2HG       GLU  17  15.817   1.080   3.129
   74    H    LYS  18           H        LYS  18  14.528  -2.036   3.914
   75    HA   LYS  18           HA       LYS  18  15.197  -3.034   6.652
   76   2HB   LYS  18          1HB       LYS  18  12.683  -2.393   6.911
   77   1HB   LYS  18          2HB       LYS  18  12.885  -1.587   5.358
   78   2HG   LYS  18          1HG       LYS  18  14.984  -0.502   6.486
   79   1HG   LYS  18          2HG       LYS  18  14.203  -0.975   7.995
   80   2HD   LYS  18          1HD       LYS  18  12.260   0.339   7.501
   81   1HD   LYS  18          2HD       LYS  18  12.773   0.589   5.832
   82   2HE   LYS  18          1HE       LYS  18  14.930   1.556   7.309
   83   1HE   LYS  18          2HE       LYS  18  13.516   2.084   8.243
   84   1HZ   LYS  18          1HZ       LYS  18  12.531   2.876   6.146
   85   2HZ   LYS  18          2HZ       LYS  18  13.948   2.440   5.315
   86   3HZ   LYS  18          3HZ       LYS  18  13.990   3.668   6.488
   87    H    VAL  19           H        VAL  19  13.376  -3.772   3.686
   88    HA   VAL  19           HA       VAL  19  11.996  -6.087   4.761
   89    HB   VAL  19           HB       VAL  19  11.612  -4.511   2.656
   90   1HG1  VAL  19          1HG1      VAL  19  13.161  -6.850   1.506
   91   2HG1  VAL  19          2HG1      VAL  19  13.698  -5.169   1.518
   92   3HG1  VAL  19          3HG1      VAL  19  12.289  -5.640   0.568
   93   1HG2  VAL  19          1HG2      VAL  19  10.625  -6.897   1.658
   94   2HG2  VAL  19          2HG2      VAL  19   9.824  -5.888   2.865
   95   3HG2  VAL  19          3HG2      VAL  19  10.835  -7.245   3.377
   96    H    LEU  20           H        LEU  20  15.001  -5.673   2.848
   97    HA   LEU  20           HA       LEU  20  15.518  -8.456   2.425
   98   1HB   LEU  20          1HB       LEU  20  16.664  -6.513   1.308
   99   2HB   LEU  20          2HB       LEU  20  17.791  -7.706   1.945
  100    HG   LEU  20           HG       LEU  20  17.018  -5.453   3.749
  101   1HD1  LEU  20          1HD1      LEU  20  18.563  -6.860   4.770
  102   2HD1  LEU  20          2HD1      LEU  20  19.650  -5.699   4.009
  103   3HD1  LEU  20          3HD1      LEU  20  19.356  -7.262   3.248
  104   1HD2  LEU  20          1HD2      LEU  20  17.441  -4.429   1.488
  105   2HD2  LEU  20          2HD2      LEU  20  19.050  -5.152   1.517
  106   3HD2  LEU  20          3HD2      LEU  20  18.608  -3.938   2.717
  107    H    GLU  21           H        GLU  21  15.843  -6.346   5.181
  108    HA   GLU  21           HA       GLU  21  17.518  -8.135   6.735
  109   2HB   GLU  21          1HB       GLU  21  16.440  -6.485   8.546
  110   1HB   GLU  21          2HB       GLU  21  15.992  -5.591   7.094
  111   2HG   GLU  21          1HG       GLU  21  18.283  -5.395   6.408
  112   1HG   GLU  21          2HG       GLU  21  18.813  -6.557   7.625
  113    H    LEU  22           H        LEU  22  14.046  -7.453   6.362
  114    HA   LEU  22           HA       LEU  22  13.158  -9.169   8.536
  115   2HB   LEU  22          1HB       LEU  22  10.956  -8.865   7.257
  116   1HB   LEU  22          2HB       LEU  22  11.875  -7.935   6.078
  117    HG   LEU  22           HG       LEU  22  12.041  -6.124   7.451
  118   1HD1  LEU  22          1HD1      LEU  22   9.880  -7.624   8.955
  119   2HD1  LEU  22          2HD1      LEU  22   9.632  -6.692   7.478
  120   3HD1  LEU  22          3HD1      LEU  22  10.126  -5.877   8.962
  121   1HD2  LEU  22          1HD2      LEU  22  12.295  -8.092   9.745
  122   2HD2  LEU  22          2HD2      LEU  22  12.276  -6.343   9.970
  123   3HD2  LEU  22          3HD2      LEU  22  13.572  -7.099   9.040
  124    H    ASN  23           H        ASN  23  13.948  -9.629   5.144
  125    HA   ASN  23           HA       ASN  23  12.772 -12.331   5.010
  126   2HB   ASN  23          1HB       ASN  23  14.170 -12.175   2.781
  127   1HB   ASN  23          2HB       ASN  23  14.341 -10.478   3.225
  128   1HD2  ASN  23          1HD2      ASN  23  12.525  -9.111   2.879
  129   2HD2  ASN  23          2HD2      ASN  23  11.023  -9.666   2.316
  130    H    ALA  24           H        ALA  24  15.663 -10.934   6.196
  131    HA   ALA  24           HA       ALA  24  17.372 -13.251   5.703
  132   1HB   ALA  24          1HB       ALA  24  17.708 -10.642   7.201
  133   2HB   ALA  24          2HB       ALA  24  18.245 -10.968   5.553
  134   3HB   ALA  24          3HB       ALA  24  19.010 -11.796   6.909
  135    H    LYS  25           H        LYS  25  15.655 -11.661   8.384
  136    HA   LYS  25           HA       LYS  25  16.589 -13.754  10.276
  137   1HB   LYS  25          1HB       LYS  25  16.626 -11.262  10.748
  138   2HB   LYS  25          2HB       LYS  25  15.781 -12.225  11.959
  139   2HG   LYS  25          1HG       LYS  25  13.730 -11.352  11.408
  140   1HG   LYS  25          2HG       LYS  25  14.135 -11.207   9.699
  141   2HD   LYS  25          1HD       LYS  25  14.003  -8.968  10.501
  142   1HD   LYS  25          2HD       LYS  25  15.728  -9.319  10.399
  143   2HE   LYS  25          1HE       LYS  25  15.995  -9.266  12.686
  144   1HE   LYS  25          2HE       LYS  25  14.400  -9.983  12.989
  145   1HZ   LYS  25          1HZ       LYS  25  13.387  -7.892  12.288
  146   2HZ   LYS  25          2HZ       LYS  25  14.921  -7.216  12.007
  147   3HZ   LYS  25          3HZ       LYS  25  14.445  -7.624  13.585
  148    H    GLY  26           H        GLY  26  13.789 -12.770   8.436
  149   2HA   GLY  26          1HA       GLY  26  12.318 -15.142   9.470
  150   1HA   GLY  26          2HA       GLY  26  11.975 -14.302   7.958
  151    H    GLU  27           H        GLU  27  12.149 -11.633   9.288
  152    HA   GLU  27           HA       GLU  27   9.893 -11.689  11.222
  153   2HB   GLU  27          1HB       GLU  27  10.560  -9.083  10.919
  154   1HB   GLU  27          2HB       GLU  27  12.051  -9.835  10.349
  155   2HG   GLU  27          1HG       GLU  27  12.640 -10.146  12.499
  156   1HG   GLU  27          2HG       GLU  27  11.294 -11.273  12.658
  157    H    LYS  28           H        LYS  28   7.821 -11.252  10.605
  158    HA   LYS  28           HA       LYS  28   7.345 -10.159   7.856
  159   2HB   LYS  28          1HB       LYS  28   4.979 -11.162   8.546
  160   1HB   LYS  28          2HB       LYS  28   5.944 -12.046   9.728
  161   2HG   LYS  28          1HG       LYS  28   7.167 -13.171   8.070
  162   1HG   LYS  28          2HG       LYS  28   6.793 -11.963   6.840
  163   2HD   LYS  28          1HD       LYS  28   4.294 -12.785   7.368
  164   1HD   LYS  28          2HD       LYS  28   5.153 -14.258   7.818
  165   2HE   LYS  28          1HE       LYS  28   5.538 -14.773   5.637
  166   1HE   LYS  28          2HE       LYS  28   6.161 -13.144   5.305
  167   1HZ   LYS  28          1HZ       LYS  28   4.094 -13.555   4.098
  168   2HZ   LYS  28          2HZ       LYS  28   3.867 -12.339   5.263
  169   3HZ   LYS  28          3HZ       LYS  28   3.290 -13.913   5.549
  170    H    ARG  29           H        ARG  29   7.910  -8.024   9.047
  171    HA   ARG  29           HA       ARG  29   5.567  -6.953  10.571
  172   2HB   ARG  29          1HB       ARG  29   8.093  -5.423  10.405
  173   1HB   ARG  29          2HB       ARG  29   8.260  -7.020  11.123
  174   1HG   ARG  29          1HG       ARG  29   5.892  -5.634  12.114
  175   2HG   ARG  29          2HG       ARG  29   7.366  -4.719  12.425
  176   1HD   ARG  29          1HD       ARG  29   7.095  -7.674  13.078
  177   2HD   ARG  29          2HD       ARG  29   6.765  -6.384  14.251
  178    HE   ARG  29           HE       ARG  29   9.415  -6.839  12.917
  179   1HH1  ARG  29          1HH1      ARG  29   9.436  -7.556  15.708
  180   2HH1  ARG  29          2HH1      ARG  29   9.868  -6.092  16.526
  181   1HH2  ARG  29          1HH2      ARG  29   9.107  -4.046  13.821
  182   2HH2  ARG  29          2HH2      ARG  29   9.681  -4.099  15.455
  183    H    LEU  30           H        LEU  30   6.405  -4.194  10.062
  184    HA   LEU  30           HA       LEU  30   5.556  -3.963   7.203
  185   1HB   LEU  30          1HB       LEU  30   4.208  -3.198   9.403
  186   2HB   LEU  30          2HB       LEU  30   4.098  -2.307   7.893
  187    HG   LEU  30           HG       LEU  30   6.390  -1.424   9.427
  188   1HD1  LEU  30          1HD1      LEU  30   3.854  -0.135   8.395
  189   2HD1  LEU  30          2HD1      LEU  30   5.456  -0.087   7.656
  190   3HD1  LEU  30          3HD1      LEU  30   5.155   0.771   9.169
  191   1HD2  LEU  30          1HD2      LEU  30   5.272  -0.512  11.353
  192   2HD2  LEU  30          2HD2      LEU  30   4.872  -2.229  11.295
  193   3HD2  LEU  30          3HD2      LEU  30   3.697  -1.030  10.753
  194    H    ILE  31           H        ILE  31   6.499  -2.195   5.980
  195    HA   ILE  31           HA       ILE  31   9.017  -1.020   7.093
  196    HB   ILE  31           HB       ILE  31   8.567  -2.475   4.460
  197   1HG2  ILE  31          1HG2      ILE  31  10.046  -0.926   3.659
  198   2HG2  ILE  31          2HG2      ILE  31  11.232  -1.913   4.510
  199   3HG2  ILE  31          3HG2      ILE  31  10.587  -0.459   5.272
  200   2HG1  ILE  31          1HG1      ILE  31   9.305  -3.443   6.935
  201   1HG1  ILE  31          2HG1      ILE  31  10.866  -3.146   6.173
  202   1HD1  ILE  31          1HD1      ILE  31   9.966  -4.392   4.141
  203   2HD1  ILE  31          2HD1      ILE  31   8.602  -4.874   5.149
  204   3HD1  ILE  31          3HD1      ILE  31  10.236  -5.381   5.577
  205    H    LYS  32           H        LYS  32   8.701   1.173   6.987
  206    HA   LYS  32           HA       LYS  32   6.970   2.277   4.816
  207   2HB   LYS  32          1HB       LYS  32   6.277   2.842   7.055
  208   1HB   LYS  32          2HB       LYS  32   6.965   4.297   6.343
  209   2HG   LYS  32          1HG       LYS  32   8.220   4.395   8.232
  210   1HG   LYS  32          2HG       LYS  32   9.179   3.118   7.487
  211   2HD   LYS  32          1HD       LYS  32   7.372   1.524   8.536
  212   1HD   LYS  32          2HD       LYS  32   7.033   2.900   9.587
  213   1HE   LYS  32          1HE       LYS  32   9.895   2.050   9.213
  214   2HE   LYS  32          2HE       LYS  32   8.855   1.116  10.306
  215   1HZ   LYS  32          1HZ       LYS  32   9.910   2.972  11.465
  216   2HZ   LYS  32          2HZ       LYS  32   8.228   3.194  11.397
  217   3HZ   LYS  32          3HZ       LYS  32   9.248   4.071  10.357
  218    H    THR  33           H        THR  33   7.715   3.987   3.485
  219    HA   THR  33           HA       THR  33  10.617   4.716   3.687
  220    HB   THR  33           HB       THR  33   9.083   3.708   1.267
  221    HG1  THR  33          1HG       THR  33   9.764   2.017   2.464
  222   1HG2  THR  33          1HG2      THR  33  11.605   3.821   0.390
  223   2HG2  THR  33          2HG2      THR  33  11.689   5.141   1.556
  224   3HG2  THR  33          3HG2      THR  33  10.517   5.200   0.240
  225    H    TRP  34           H        TRP  34  11.116   6.753   2.594
  226    HA   TRP  34           HA       TRP  34   8.706   8.491   2.134
  227   2HB   TRP  34          1HB       TRP  34  10.243  10.308   2.954
  228   1HB   TRP  34          2HB       TRP  34  11.466   9.078   3.260
  229    HD1  TRP  34           HD       TRP  34   8.391  10.629   4.707
  230    HE3  TRP  34          3HE       TRP  34  11.574   6.654   4.542
  231    HE1  TRP  34          1HE       TRP  34   7.844   9.531   6.978
  232    HZ3  TRP  34          3HZ       TRP  34  11.672   5.034   6.417
  233    HZ2  TRP  34          2HZ       TRP  34   8.654   7.255   8.517
  234    HH2  TRP  34           HH       TRP  34  10.215   5.328   8.401
  235    H    SER  35           H        SER  35   9.796   6.987  -0.025
  236    HA   SER  35           HA       SER  35  11.727   8.659  -1.482
  237   2HB   SER  35          1HB       SER  35  11.396   6.883  -3.195
  238   1HB   SER  35          2HB       SER  35  10.099   6.209  -2.214
  239    HG   SER  35           HG       SER  35  12.850   6.343  -1.654
  240    H    ARG  36           H        ARG  36  10.818   8.613  -4.071
  241    HA   ARG  36           HA       ARG  36   8.525  10.529  -3.975
  242   2HB   ARG  36          1HB       ARG  36   9.971  10.194  -6.505
  243   1HB   ARG  36          2HB       ARG  36  11.047  10.561  -5.157
  244   2HG   ARG  36          1HG       ARG  36   9.630  12.508  -4.572
  245   1HG   ARG  36          2HG       ARG  36   8.580  12.145  -5.943
  246   1HD   ARG  36          1HD       ARG  36  11.535  12.487  -6.416
  247   2HD   ARG  36          2HD       ARG  36  10.507  13.922  -6.236
  248    HE   ARG  36           HE       ARG  36  10.162  11.802  -8.323
  249   1HH1  ARG  36          1HH1      ARG  36  10.916  14.515  -9.207
  250   2HH1  ARG  36          2HH1      ARG  36   9.390  15.239  -9.591
  251   1HH2  ARG  36          1HH2      ARG  36   7.530  12.882  -7.841
  252   2HH2  ARG  36          2HH2      ARG  36   7.468  14.312  -8.816
  253    H    ARG  37           H        ARG  37   9.723   8.034  -6.285
  254    HA   ARG  37           HA       ARG  37   6.930   7.520  -7.163
  255   2HB   ARG  37          1HB       ARG  37   9.487   6.219  -8.131
  256   1HB   ARG  37          2HB       ARG  37   9.031   7.845  -8.639
  257   2HG   ARG  37          1HG       ARG  37   7.646   6.970 -10.183
  258   1HG   ARG  37          2HG       ARG  37   6.733   6.161  -8.906
  259   2HD   ARG  37          1HD       ARG  37   8.278   4.246  -8.989
  260   1HD   ARG  37          2HD       ARG  37   9.252   5.072 -10.221
  261    HE   ARG  37           HE       ARG  37   7.342   4.883 -11.755
  262   1HH1  ARG  37          1HH1      ARG  37   7.615   2.053 -11.193
  263   2HH1  ARG  37          2HH1      ARG  37   6.054   1.586 -10.607
  264   1HH2  ARG  37          1HH2      ARG  37   5.047   4.841  -9.918
  265   2HH2  ARG  37          2HH2      ARG  37   4.596   3.169  -9.882
  266    H    SER  38           H        SER  38   7.542   6.747  -4.498
  267    HA   SER  38           HA       SER  38   8.426   4.317  -3.728
  268   2HB   SER  38          1HB       SER  38   6.527   4.384  -2.103
  269   1HB   SER  38          2HB       SER  38   5.765   5.616  -3.099
  270    HG   SER  38           HG       SER  38   7.818   5.860  -1.343
  271    H    THR  39           H        THR  39   8.328   2.479  -4.993
  272    HA   THR  39           HA       THR  39   5.616   1.452  -5.765
  273    HB   THR  39           HB       THR  39   8.314   1.190  -7.133
  274    HG1  THR  39          1HG       THR  39   7.384   3.078  -7.695
  275   1HG2  THR  39          1HG2      THR  39   5.738  -0.308  -7.471
  276   2HG2  THR  39          2HG2      THR  39   7.398  -0.888  -7.623
  277   3HG2  THR  39          3HG2      THR  39   6.680   0.077  -8.912
  278    H    ILE  40           H        ILE  40   5.453  -0.934  -5.675
  279    HA   ILE  40           HA       ILE  40   6.969  -2.021  -3.370
  280    HB   ILE  40           HB       ILE  40   4.690  -3.074  -5.063
  281   1HG2  ILE  40          1HG2      ILE  40   5.899  -4.869  -3.898
  282   2HG2  ILE  40          2HG2      ILE  40   4.305  -4.615  -3.195
  283   3HG2  ILE  40          3HG2      ILE  40   5.738  -3.986  -2.378
  284   1HG1  ILE  40          1HG1      ILE  40   4.894  -1.265  -2.711
  285   2HG1  ILE  40          2HG1      ILE  40   3.618  -2.480  -2.650
  286   1HD1  ILE  40          1HD1      ILE  40   3.228  -1.635  -5.161
  287   2HD1  ILE  40          2HD1      ILE  40   3.961  -0.169  -4.506
  288   3HD1  ILE  40          3HD1      ILE  40   2.491  -0.816  -3.781
  289    H    VAL  41           H        VAL  41   7.700  -4.359  -3.518
  290    HA   VAL  41           HA       VAL  41   8.710  -5.187  -6.217
  291    HB   VAL  41           HB       VAL  41  10.764  -5.817  -4.416
  292   1HG1  VAL  41          1HG1      VAL  41  11.018  -5.083  -6.754
  293   2HG1  VAL  41          2HG1      VAL  41  12.030  -4.109  -5.689
  294   3HG1  VAL  41          3HG1      VAL  41  10.515  -3.453  -6.311
  295   1HG2  VAL  41          1HG2      VAL  41   9.734  -4.222  -2.785
  296   2HG2  VAL  41          2HG2      VAL  41   9.895  -2.936  -3.976
  297   3HG2  VAL  41          3HG2      VAL  41  11.334  -3.709  -3.312
  298    HA   PRO  42           HA       PRO  42   7.801  -9.272  -5.065
  299   2HB   PRO  42          1HB       PRO  42   9.068 -10.049  -6.814
  300   1HB   PRO  42          2HB       PRO  42  10.102 -10.682  -5.518
  301   1HG   PRO  42          1HG       PRO  42  11.079  -9.070  -7.374
  302   2HG   PRO  42          2HG       PRO  42  11.578  -8.908  -5.681
  303   2HD   PRO  42          1HD       PRO  42   9.664  -7.247  -7.273
  304   1HD   PRO  42          2HD       PRO  42  10.864  -6.747  -6.060
  305    H    GLU  43           H        GLU  43  10.795  -8.077  -3.609
  306    HA   GLU  43           HA       GLU  43  11.068  -9.980  -1.502
  307   2HB   GLU  43          1HB       GLU  43  11.973  -7.500  -0.570
  308   1HB   GLU  43          2HB       GLU  43  12.108  -7.381  -2.323
  309   2HG   GLU  43          1HG       GLU  43  13.860  -8.801  -2.364
  310   1HG   GLU  43          2HG       GLU  43  13.018  -9.971  -1.349
  311    H    MET  44           H        MET  44   8.665  -7.578  -2.025
  312    HA   MET  44           HA       MET  44   8.057  -7.086   0.807
  313   1HB   MET  44          1HB       MET  44   6.357  -5.623  -0.153
  314   2HB   MET  44          2HB       MET  44   6.588  -6.355  -1.737
  315   1HG   MET  44          1HG       MET  44   7.804  -4.089  -1.144
  316   2HG   MET  44          2HG       MET  44   8.654  -5.333  -2.058
  317   1HE   MET  44          1HE       MET  44  11.194  -5.178  -1.474
  318   2HE   MET  44          2HE       MET  44  11.628  -4.185  -0.085
  319   3HE   MET  44          3HE       MET  44  10.477  -3.574  -1.266
  320    H    VAL  45           H        VAL  45   7.327  -9.609  -1.337
  321    HA   VAL  45           HA       VAL  45   4.632 -10.215  -1.086
  322    HB   VAL  45           HB       VAL  45   6.224 -11.383  -2.492
  323   1HG1  VAL  45          1HG1      VAL  45   8.207 -11.359  -1.135
  324   2HG1  VAL  45          2HG1      VAL  45   7.798 -13.054  -1.405
  325   3HG1  VAL  45          3HG1      VAL  45   7.418 -12.292   0.139
  326   1HG2  VAL  45          1HG2      VAL  45   5.434 -13.572  -0.616
  327   2HG2  VAL  45          2HG2      VAL  45   5.248 -13.472  -2.365
  328   3HG2  VAL  45          3HG2      VAL  45   4.150 -12.585  -1.311
  329    H    GLY  46           H        GLY  46   6.468  -9.809   1.726
  330   2HA   GLY  46          1HA       GLY  46   6.176 -11.760   3.523
  331   1HA   GLY  46          2HA       GLY  46   4.477 -11.390   3.239
  332    H    HIS  47           H        HIS  47   5.030  -8.474   2.855
  333    HA   HIS  47           HA       HIS  47   5.248  -7.765   5.742
  334   1HB   HIS  47          1HB       HIS  47   7.025  -6.221   5.378
  335   2HB   HIS  47          2HB       HIS  47   6.823  -6.277   3.631
  336    HD1  HIS  47          1HD       HIS  47   8.410  -8.099   6.483
  337    HD2  HIS  47          2HD       HIS  47   7.948  -8.596   2.368
  338    HE1  HIS  47          1HE       HIS  47  10.013  -9.937   5.799
  339    H    THR  48           H        THR  48   4.388  -5.645   6.216
  340    HA   THR  48           HA       THR  48   2.436  -4.624   4.208
  341    HB   THR  48           HB       THR  48   2.496  -3.532   6.968
  342    HG1  THR  48          1HG       THR  48   1.884  -6.267   6.521
  343   1HG2  THR  48          1HG2      THR  48   0.201  -3.516   6.726
  344   2HG2  THR  48          2HG2      THR  48   0.184  -5.000   5.772
  345   3HG2  THR  48          3HG2      THR  48   0.686  -3.481   5.031
  346    H    ILE  49           H        ILE  49   4.041  -3.484   2.962
  347    HA   ILE  49           HA       ILE  49   5.835  -1.611   4.352
  348    HB   ILE  49           HB       ILE  49   5.366  -2.480   1.504
  349   1HG2  ILE  49          1HG2      ILE  49   7.041  -1.025   0.713
  350   2HG2  ILE  49          2HG2      ILE  49   7.641  -0.683   2.334
  351   3HG2  ILE  49          3HG2      ILE  49   6.111   0.009   1.796
  352   2HG1  ILE  49          1HG1      ILE  49   6.869  -3.417   3.725
  353   1HG1  ILE  49          2HG1      ILE  49   8.028  -2.772   2.566
  354   1HD1  ILE  49          1HD1      ILE  49   7.683  -5.074   1.991
  355   2HD1  ILE  49          2HD1      ILE  49   6.819  -4.118   0.786
  356   3HD1  ILE  49          3HD1      ILE  49   5.931  -4.899   2.095
  357    H    ALA  50           H        ALA  50   5.231   0.390   4.916
  358    HA   ALA  50           HA       ALA  50   2.867   1.649   3.761
  359   1HB   ALA  50          1HB       ALA  50   3.437   3.449   5.380
  360   2HB   ALA  50          2HB       ALA  50   4.944   2.599   5.743
  361   3HB   ALA  50          3HB       ALA  50   3.394   1.852   6.132
  362    H    VAL  51           H        VAL  51   3.496   1.815   1.584
  363    HA   VAL  51           HA       VAL  51   5.896   3.191   0.716
  364    HB   VAL  51           HB       VAL  51   4.793   3.074  -1.486
  365   1HG1  VAL  51          1HG1      VAL  51   4.091   0.536  -0.018
  366   2HG1  VAL  51          2HG1      VAL  51   5.767   1.013  -0.280
  367   3HG1  VAL  51          3HG1      VAL  51   4.709   0.719  -1.660
  368   1HG2  VAL  51          1HG2      VAL  51   2.532   3.699  -0.971
  369   2HG2  VAL  51          2HG2      VAL  51   2.357   2.364   0.169
  370   3HG2  VAL  51          3HG2      VAL  51   2.468   2.037  -1.560
  371    H    TYR  52           H        TYR  52   6.222   5.379   0.393
  372    HA   TYR  52           HA       TYR  52   4.244   7.274   1.394
  373   2HB   TYR  52          1HB       TYR  52   6.824   7.739  -0.152
  374   1HB   TYR  52          2HB       TYR  52   6.756   7.469   1.589
  375    HD1  TYR  52          1HD       TYR  52   4.608   8.984   2.623
  376    HE1  TYR  52          1HE       TYR  52   4.179  11.395   3.010
  377    HE2  TYR  52          2HE       TYR  52   6.767  12.382  -0.274
  378    HD2  TYR  52          2HD       TYR  52   7.197   9.974  -0.656
  379    HH   TYR  52           HH       TYR  52   5.861  13.704   2.243
  380    H    ASN  53           H        ASN  53   2.416   7.484   0.115
  381    HA   ASN  53           HA       ASN  53   2.414   7.245  -2.777
  382   2HB   ASN  53          1HB       ASN  53   0.489   8.261  -0.670
  383   1HB   ASN  53          2HB       ASN  53   0.467   6.698  -1.483
  384   1HD2  ASN  53          1HD2      ASN  53  -0.621   9.994  -1.674
  385   2HD2  ASN  53          2HD2      ASN  53  -1.373   9.875  -3.193
  386    H    GLY  54           H        GLY  54   3.658   9.681  -0.874
  387   2HA   GLY  54          1HA       GLY  54   3.004  11.813  -2.867
  388   1HA   GLY  54          2HA       GLY  54   4.627  11.614  -2.194
  389    H    LYS  55           H        LYS  55   1.904  10.953  -0.177
  390    HA   LYS  55           HA       LYS  55   2.511  13.353   1.477
  391   2HB   LYS  55          1HB       LYS  55   0.620  14.131   0.339
  392   1HB   LYS  55          2HB       LYS  55  -0.103  13.378   1.758
  393   2HG   LYS  55          1HG       LYS  55  -0.325  11.253   0.363
  394   1HG   LYS  55          2HG       LYS  55   0.085  12.244  -1.038
  395   2HD   LYS  55          1HD       LYS  55  -1.814  13.792  -0.341
  396   1HD   LYS  55          2HD       LYS  55  -2.290  12.550   0.818
  397   2HE   LYS  55          1HE       LYS  55  -2.664  10.944  -0.968
  398   1HE   LYS  55          2HE       LYS  55  -1.984  12.060  -2.169
  399   1HZ   LYS  55          1HZ       LYS  55  -3.722  13.650  -1.608
  400   2HZ   LYS  55          2HZ       LYS  55  -4.362  12.584  -0.449
  401   3HZ   LYS  55          3HZ       LYS  55  -4.418  12.183  -2.098
  402    H    GLN  56           H        GLN  56   1.211  10.067   1.238
  403    HA   GLN  56           HA       GLN  56   1.445   9.808   4.209
  404   1HB   GLN  56          1HB       GLN  56  -0.844   9.968   2.634
  405   2HB   GLN  56          2HB       GLN  56  -0.769   9.432   4.308
  406   1HG   GLN  56          1HG       GLN  56  -0.009   7.262   2.572
  407   2HG   GLN  56          2HG       GLN  56  -1.546   7.927   2.042
  408   1HE2  GLN  56          1HE2      GLN  56   0.067   7.053   5.164
  409   2HE2  GLN  56          2HE2      GLN  56  -1.326   6.379   5.857
  410    H    HIS  57           H        HIS  57   1.871   7.661   4.969
  411    HA   HIS  57           HA       HIS  57   3.230   5.893   2.988
  412   1HB   HIS  57          1HB       HIS  57   4.292   4.988   5.030
  413   2HB   HIS  57          2HB       HIS  57   3.256   6.000   6.030
  414    HD1  HIS  57          1HD       HIS  57   6.041   6.268   3.476
  415    HD2  HIS  57          2HD       HIS  57   4.127   8.639   6.319
  416    HE1  HIS  57          1HE       HIS  57   7.353   8.426   3.610
  417    H    VAL  58           H        VAL  58   1.686   4.440   2.207
  418    HA   VAL  58           HA       VAL  58  -0.454   3.464   4.023
  419    HB   VAL  58           HB       VAL  58   0.079   2.918   1.081
  420   1HG1  VAL  58          1HG1      VAL  58  -2.149   2.145   0.974
  421   2HG1  VAL  58          2HG1      VAL  58  -2.579   2.898   2.511
  422   3HG1  VAL  58          3HG1      VAL  58  -1.551   1.464   2.488
  423   1HG2  VAL  58          1HG2      VAL  58  -1.607   4.729   0.692
  424   2HG2  VAL  58          2HG2      VAL  58  -0.125   5.332   1.435
  425   3HG2  VAL  58          3HG2      VAL  58  -1.570   5.093   2.417
  426    HA   PRO  59           HA       PRO  59   2.440  -0.012   4.641
  427   2HB   PRO  59          1HB       PRO  59   2.342   0.366   6.934
  428   1HB   PRO  59          2HB       PRO  59   1.172  -0.970   6.881
  429   1HG   PRO  59          1HG       PRO  59   0.524   1.423   7.872
  430   2HG   PRO  59          2HG       PRO  59  -0.637   0.457   6.945
  431   2HD   PRO  59          1HD       PRO  59   0.904   2.876   6.136
  432   1HD   PRO  59          2HD       PRO  59  -0.731   2.370   5.668
  433    H    VAL  60           H        VAL  60   1.715  -1.064   2.825
  434    HA   VAL  60           HA       VAL  60  -0.854  -2.579   2.970
  435    HB   VAL  60           HB       VAL  60  -0.394  -2.799   0.494
  436   1HG1  VAL  60          1HG1      VAL  60  -0.604  -0.059   1.752
  437   2HG1  VAL  60          2HG1      VAL  60  -1.928  -1.103   1.240
  438   3HG1  VAL  60          3HG1      VAL  60  -0.876  -0.360   0.036
  439   1HG2  VAL  60          1HG2      VAL  60   2.099  -2.419   0.745
  440   2HG2  VAL  60          2HG2      VAL  60   1.732  -0.710   0.991
  441   3HG2  VAL  60          3HG2      VAL  60   1.323  -1.487  -0.537
  442    H    TYR  61           H        TYR  61  -0.782  -4.769   3.297
  443    HA   TYR  61           HA       TYR  61   1.735  -6.225   3.404
  444   2HB   TYR  61          1HB       TYR  61  -0.837  -7.686   3.016
  445   1HB   TYR  61          2HB       TYR  61  -0.796  -6.586   4.395
  446    HD1  TYR  61          1HD       TYR  61  -0.246  -7.641   6.393
  447    HE1  TYR  61          1HE       TYR  61   1.085  -9.294   7.675
  448    HE2  TYR  61          2HE       TYR  61   2.977 -10.589   4.044
  449    HD2  TYR  61          2HD       TYR  61   1.648  -8.937   2.761
  450    HH   TYR  61           HH       TYR  61   3.717 -10.574   6.844
  451    H    ILE  62           H        ILE  62   2.802  -6.280   1.463
  452    HA   ILE  62           HA       ILE  62   1.690  -6.150  -1.123
  453    HB   ILE  62           HB       ILE  62   4.262  -6.992   0.113
  454   1HG2  ILE  62          1HG2      ILE  62   3.408  -7.500  -2.716
  455   2HG2  ILE  62          2HG2      ILE  62   4.444  -8.473  -1.674
  456   3HG2  ILE  62          3HG2      ILE  62   5.069  -6.997  -2.408
  457   1HG1  ILE  62          1HG1      ILE  62   3.229  -4.750  -1.583
  458   2HG1  ILE  62          2HG1      ILE  62   4.947  -5.117  -1.552
  459   1HD1  ILE  62          1HD1      ILE  62   4.334  -5.149   1.115
  460   2HD1  ILE  62          2HD1      ILE  62   3.284  -3.870   0.502
  461   3HD1  ILE  62          3HD1      ILE  62   5.024  -3.778   0.243
  462    H    THR  63           H        THR  63   2.943  -9.110   0.448
  463    HA   THR  63           HA       THR  63   2.537 -11.381  -0.013
  464    HB   THR  63           HB       THR  63   0.315 -11.970  -0.373
  465    HG1  THR  63          1HG       THR  63  -0.398 -11.379  -2.236
  466   1HG2  THR  63          1HG2      THR  63  -0.401  -9.135   0.203
  467   2HG2  THR  63          2HG2      THR  63   0.650  -9.965   1.349
  468   3HG2  THR  63          3HG2      THR  63  -0.950 -10.613   0.991
  469    H    GLU  64           H        GLU  64   1.785 -12.758  -2.210
  470    HA   GLU  64           HA       GLU  64   3.620 -11.671  -4.256
  471   2HB   GLU  64          1HB       GLU  64   2.107 -14.274  -4.434
  472   1HB   GLU  64          2HB       GLU  64   3.426 -14.106  -3.276
  473   1HG   GLU  64          1HG       GLU  64   3.814 -13.309  -6.157
  474   2HG   GLU  64          2HG       GLU  64   3.967 -14.997  -5.673
  475    H    ASN  65           H        ASN  65   1.182 -10.150  -4.033
  476    HA   ASN  65           HA       ASN  65   0.041 -10.647  -6.731
  477   2HB   ASN  65          1HB       ASN  65  -1.778 -10.314  -4.358
  478   1HB   ASN  65          2HB       ASN  65  -1.162 -11.902  -4.812
  479   1HD2  ASN  65          1HD2      ASN  65  -3.340  -9.292  -5.778
  480   2HD2  ASN  65          2HD2      ASN  65  -4.047 -10.119  -7.081
  481    H    MET  66           H        MET  66   0.333  -8.404  -3.950
  482    HA   MET  66           HA       MET  66  -1.079  -6.270  -5.444
  483   1HB   MET  66          1HB       MET  66  -0.731  -5.041  -3.361
  484   2HB   MET  66          2HB       MET  66   0.361  -6.297  -2.780
  485   2HG   MET  66          1HG       MET  66  -1.384  -7.867  -2.549
  486   1HG   MET  66          2HG       MET  66  -2.456  -6.968  -3.622
  487   1HE   MET  66          1HE       MET  66  -4.756  -5.563  -1.250
  488   2HE   MET  66          2HE       MET  66  -4.451  -7.237  -1.710
  489   3HE   MET  66          3HE       MET  66  -4.286  -5.958  -2.910
  490    H    VAL  67           H        VAL  67   2.223  -7.281  -4.858
  491    HA   VAL  67           HA       VAL  67   3.556  -4.779  -5.308
  492    HB   VAL  67           HB       VAL  67   4.712  -6.621  -4.289
  493   1HG1  VAL  67          1HG1      VAL  67   3.644  -8.105  -6.658
  494   2HG1  VAL  67          2HG1      VAL  67   3.756  -8.618  -4.973
  495   3HG1  VAL  67          3HG1      VAL  67   5.193  -8.629  -5.995
  496   1HG2  VAL  67          1HG2      VAL  67   5.680  -6.119  -7.118
  497   2HG2  VAL  67          2HG2      VAL  67   6.637  -6.948  -5.895
  498   3HG2  VAL  67          3HG2      VAL  67   6.171  -5.263  -5.660
  499    H    GLY  68           H        GLY  68   4.835  -4.166  -7.197
  500   2HA   GLY  68          1HA       GLY  68   3.832  -5.262  -9.789
  501   1HA   GLY  68          2HA       GLY  68   5.447  -4.601  -9.545
  502    H    HIS  69           H        HIS  69   3.007  -2.743  -7.975
  503    HA   HIS  69           HA       HIS  69   3.033  -0.863 -10.312
  504   2HB   HIS  69          1HB       HIS  69   0.774  -0.205  -9.419
  505   1HB   HIS  69          2HB       HIS  69   0.895  -1.514  -8.257
  506    HD1  HIS  69          1HD       HIS  69  -0.520  -0.864 -11.441
  507    HD2  HIS  69          2HD       HIS  69   1.599  -4.095  -9.863
  508    HE1  HIS  69          1HE       HIS  69  -1.030  -2.851 -12.927
  509    H    LYS  70           H        LYS  70   1.788  -0.299  -7.062
  510    HA   LYS  70           HA       LYS  70   3.982   1.080  -5.924
  511   2HB   LYS  70          1HB       LYS  70   3.979   2.748  -7.552
  512   1HB   LYS  70          2HB       LYS  70   2.911   3.455  -6.344
  513   1HG   LYS  70          1HG       LYS  70   1.640   1.694  -8.372
  514   2HG   LYS  70          2HG       LYS  70   2.233   3.248  -8.943
  515   2HD   LYS  70          1HD       LYS  70   0.990   4.139  -6.777
  516   1HD   LYS  70          2HD       LYS  70   0.070   2.645  -6.959
  517   2HE   LYS  70          1HE       LYS  70  -0.228   3.363  -9.437
  518   1HE   LYS  70          2HE       LYS  70   0.289   4.969  -8.884
  519   1HZ   LYS  70          1HZ       LYS  70  -1.914   3.338  -7.713
  520   2HZ   LYS  70          2HZ       LYS  70  -2.121   4.703  -8.703
  521   3HZ   LYS  70          3HZ       LYS  70  -1.423   4.865  -7.163
  522    H    LEU  71           H        LEU  71   0.585   0.817  -6.299
  523    HA   LEU  71           HA       LEU  71  -0.129   0.340  -3.615
  524   1HB   LEU  71          1HB       LEU  71   0.747   2.766  -3.493
  525   2HB   LEU  71          2HB       LEU  71  -0.828   2.458  -2.776
  526    HG   LEU  71           HG       LEU  71  -0.956   3.150  -5.632
  527   1HD1  LEU  71          1HD1      LEU  71  -2.710   4.694  -4.730
  528   2HD1  LEU  71          2HD1      LEU  71  -2.268   4.181  -3.101
  529   3HD1  LEU  71          3HD1      LEU  71  -2.948   3.016  -4.238
  530   1HD2  LEU  71          1HD2      LEU  71   0.972   4.555  -4.901
  531   2HD2  LEU  71          2HD2      LEU  71  -0.039   5.232  -3.624
  532   3HD2  LEU  71          3HD2      LEU  71  -0.443   5.523  -5.316
  533    H    GLY  72           H        GLY  72  -0.999   1.178  -6.880
  534   2HA   GLY  72          1HA       GLY  72  -3.000   1.028  -8.070
  535   1HA   GLY  72          2HA       GLY  72  -3.852   1.354  -6.562
  536    H    GLU  73           H        GLU  73  -1.638  -1.309  -6.528
  537    HA   GLU  73           HA       GLU  73  -3.675  -3.332  -7.263
  538   2HB   GLU  73          1HB       GLU  73  -1.659  -4.798  -6.439
  539   1HB   GLU  73          2HB       GLU  73  -0.778  -3.270  -6.446
  540   2HG   GLU  73          1HG       GLU  73  -0.639  -3.271  -8.696
  541   1HG   GLU  73          2HG       GLU  73  -2.356  -3.624  -8.872
  542    H    PHE  74           H        PHE  74  -2.620  -1.622  -4.502
  543    HA   PHE  74           HA       PHE  74  -3.663  -3.640  -2.576
  544   1HB   PHE  74          1HB       PHE  74  -2.504  -2.298  -0.935
  545   2HB   PHE  74          2HB       PHE  74  -2.350  -0.952  -2.056
  546    HD1  PHE  74          1HD       PHE  74  -0.786  -3.907  -0.769
  547    HE1  PHE  74          1HE       PHE  74   1.435  -4.710  -1.476
  548    HZ   PHE  74           HZ       PHE  74   2.468  -3.856  -3.547
  549    HE2  PHE  74          2HE       PHE  74   1.284  -2.170  -4.915
  550    HD2  PHE  74          2HD       PHE  74  -0.926  -1.342  -4.201
  551    H    ALA  75           H        ALA  75  -4.372  -0.617  -4.168
  552    HA   ALA  75           HA       ALA  75  -6.903  -0.374  -2.582
  553   1HB   ALA  75          1HB       ALA  75  -6.463   2.143  -2.865
  554   2HB   ALA  75          2HB       ALA  75  -4.834   1.693  -3.371
  555   3HB   ALA  75          3HB       ALA  75  -5.396   1.293  -1.748
  556    HA   PRO  76           HA       PRO  76  -7.461  -0.061  -7.228
  557   2HB   PRO  76          1HB       PRO  76  -6.611  -2.121  -7.847
  558   1HB   PRO  76          2HB       PRO  76  -8.321  -2.588  -7.827
  559   1HG   PRO  76          1HG       PRO  76  -6.358  -3.731  -6.284
  560   2HG   PRO  76          2HG       PRO  76  -8.084  -3.755  -5.902
  561   2HD   PRO  76          1HD       PRO  76  -5.939  -2.390  -4.537
  562   1HD   PRO  76          2HD       PRO  76  -7.641  -2.539  -4.059
  563    H    THR  77           H        THR  77  -9.140   0.843  -5.251
  564    HA   THR  77           HA       THR  77 -11.748  -0.454  -5.240
  565    HB   THR  77           HB       THR  77 -10.740   1.040  -3.460
  566    HG1  THR  77          1HG       THR  77 -12.779   1.017  -3.001
  567   1HG2  THR  77          1HG2      THR  77 -11.613   3.325  -5.233
  568   2HG2  THR  77          2HG2      THR  77  -9.948   2.744  -5.215
  569   3HG2  THR  77          3HG2      THR  77 -10.669   3.396  -3.745
  570    H    ARG  78           H        ARG  78 -13.738   0.785  -6.024
  571    HA   ARG  78           HA       ARG  78 -13.371   1.542  -8.849
  572   2HB   ARG  78          1HB       ARG  78 -16.025   1.790  -7.576
  573   1HB   ARG  78          2HB       ARG  78 -15.275   0.207  -7.375
  574   2HG   ARG  78          1HG       ARG  78 -15.186  -0.182  -9.689
  575   1HG   ARG  78          2HG       ARG  78 -15.312   1.533 -10.078
  576   2HD   ARG  78          1HD       ARG  78 -17.506   0.938 -10.515
  577   1HD   ARG  78          2HD       ARG  78 -17.671   1.174  -8.764
  578    HE   ARG  78           HE       ARG  78 -17.228  -1.471 -10.105
  579   1HH1  ARG  78          1HH1      ARG  78 -19.849  -0.839  -8.788
  580   2HH1  ARG  78          2HH1      ARG  78 -19.662  -1.577  -7.231
  581   1HH2  ARG  78          1HH2      ARG  78 -16.208  -1.865  -7.488
  582   2HH2  ARG  78          2HH2      ARG  78 -17.595  -2.158  -6.495
  583    H    THR  79           H        THR  79 -14.788   3.511  -9.586
  584    HA   THR  79           HA       THR  79 -13.891   5.875  -8.052
  585    HB   THR  79           HB       THR  79 -14.832   7.042 -10.096
  586    HG1  THR  79          1HG       THR  79 -15.026   4.571 -11.360
  587   1HG2  THR  79          1HG2      THR  79 -12.466   6.337  -9.957
  588   2HG2  THR  79          2HG2      THR  79 -13.078   6.218 -11.608
  589   3HG2  THR  79          3HG2      THR  79 -12.902   4.764 -10.626
  590    H    TYR  80           H        TYR  80 -15.249   7.163  -6.836
  591    HA   TYR  80           HA       TYR  80 -18.207   6.692  -7.024
  592   2HB   TYR  80          1HB       TYR  80 -18.129   6.899  -4.472
  593   1HB   TYR  80          2HB       TYR  80 -16.379   6.741  -4.606
  594    HD1  TYR  80          1HD       TYR  80 -15.370   4.613  -4.849
  595    HE1  TYR  80          1HE       TYR  80 -15.604   2.149  -5.003
  596    HE2  TYR  80          2HE       TYR  80 -19.828   2.592  -5.645
  597    HD2  TYR  80          2HD       TYR  80 -19.595   5.055  -5.491
  598    HH   TYR  80           HH       TYR  80 -17.990   0.612  -6.345

  No H/Q in entry =         598
  Start of MODEL   17
    1    H    GLY   8           H        GLY   8   7.145   8.098 -13.653
    2   2HA   GLY   8          1HA       GLY   8   6.927   8.484 -10.702
    3   1HA   GLY   8          2HA       GLY   8   8.445   8.433 -11.599
    4    H    VAL   9           H        VAL   9   9.046   6.310 -12.561
    5    HA   VAL   9           HA       VAL   9   7.718   3.960 -11.268
    6    HB   VAL   9           HB       VAL   9   9.651   4.193 -13.606
    7   1HG1  VAL   9          1HG1      VAL   9   8.125   1.861 -12.421
    8   2HG1  VAL   9          2HG1      VAL   9   9.867   2.001 -12.656
    9   3HG1  VAL   9          3HG1      VAL   9   8.800   1.832 -14.049
   10   1HG2  VAL   9          1HG2      VAL   9   6.638   3.891 -13.440
   11   2HG2  VAL   9          2HG2      VAL   9   7.555   3.559 -14.909
   12   3HG2  VAL   9          3HG2      VAL   9   7.546   5.185 -14.224
   13    H    PHE  10           H        PHE  10   8.854   4.509  -9.197
   14    HA   PHE  10           HA       PHE  10  11.627   3.396  -9.173
   15   2HB   PHE  10          1HB       PHE  10  10.621   6.091  -8.448
   16   1HB   PHE  10          2HB       PHE  10  12.222   5.604  -8.982
   17    HD1  PHE  10          1HD       PHE  10  13.941   4.902  -7.368
   18    HE1  PHE  10          1HE       PHE  10  14.731   5.016  -5.024
   19    HZ   PHE  10           HZ       PHE  10  13.152   5.593  -3.200
   20    HE2  PHE  10          2HE       PHE  10  10.765   6.056  -3.734
   21    HD2  PHE  10          2HD       PHE  10   9.976   5.950  -6.077
   22    H    VAL  11           H        VAL  11  12.141   2.291  -7.239
   23    HA   VAL  11           HA       VAL  11   9.856   1.854  -5.350
   24    HB   VAL  11           HB       VAL  11  10.496  -0.079  -6.810
   25   1HG1  VAL  11          1HG1      VAL  11  13.055  -0.365  -5.278
   26   2HG1  VAL  11          2HG1      VAL  11  13.026   0.713  -6.672
   27   3HG1  VAL  11          3HG1      VAL  11  12.626  -0.992  -6.869
   28   1HG2  VAL  11          1HG2      VAL  11  10.462  -0.042  -3.885
   29   2HG2  VAL  11          2HG2      VAL  11  11.329  -1.436  -4.529
   30   3HG2  VAL  11          3HG2      VAL  11   9.656  -1.143  -5.006
   31    H    ASP  12           H        ASP  12  10.276   2.800  -3.401
   32    HA   ASP  12           HA       ASP  12  12.541   4.120  -2.564
   33   2HB   ASP  12          1HB       ASP  12  10.975   2.453  -0.624
   34   1HB   ASP  12          2HB       ASP  12  10.179   3.748  -1.513
   35    H    ASP  13           H        ASP  13  14.582   3.238  -2.818
   36    HA   ASP  13           HA       ASP  13  15.279   0.512  -2.310
   37   2HB   ASP  13          1HB       ASP  13  17.153   2.872  -2.200
   38   1HB   ASP  13          2HB       ASP  13  16.400   2.398  -3.725
   39    H    HIS  14           H        HIS  14  14.898   3.333  -0.326
   40    HA   HIS  14           HA       HIS  14  16.542   2.496   1.891
   41   2HB   HIS  14          1HB       HIS  14  14.324   4.279   2.515
   42   1HB   HIS  14          2HB       HIS  14  15.117   4.752   1.011
   43    HD1  HIS  14          1HD       HIS  14  17.962   4.534   1.352
   44    HD2  HIS  14          2HD       HIS  14  15.590   5.466   4.652
   45    HE1  HIS  14          1HE       HIS  14  19.496   5.605   3.058
   46    H    LEU  15           H        LEU  15  13.195   1.937   0.928
   47    HA   LEU  15           HA       LEU  15  12.391   0.810   3.510
   48   1HB   LEU  15          1HB       LEU  15  11.130   1.918   1.348
   49   2HB   LEU  15          2HB       LEU  15  10.310   0.936   2.551
   50    HG   LEU  15           HG       LEU  15  11.576  -0.324   0.121
   51   1HD1  LEU  15          1HD1      LEU  15   9.448  -1.820   0.671
   52   2HD1  LEU  15          2HD1      LEU  15   9.643  -1.098   2.267
   53   3HD1  LEU  15          3HD1      LEU  15  10.956  -2.036   1.557
   54   1HD2  LEU  15          1HD2      LEU  15   8.698   0.017  -0.058
   55   2HD2  LEU  15          2HD2      LEU  15   9.942   0.427  -1.238
   56   3HD2  LEU  15          3HD2      LEU  15   9.515   1.576   0.029
   57    H    LEU  16           H        LEU  16  13.454  -0.345   0.348
   58    HA   LEU  16           HA       LEU  16  13.138  -3.138   0.678
   59   2HB   LEU  16          1HB       LEU  16  15.363  -2.922  -0.859
   60   1HB   LEU  16          2HB       LEU  16  14.769  -1.261  -0.947
   61    HG   LEU  16           HG       LEU  16  12.856  -3.531  -1.315
   62   1HD1  LEU  16          1HD1      LEU  16  12.937  -0.929  -2.802
   63   2HD1  LEU  16          2HD1      LEU  16  12.383  -0.976  -1.129
   64   3HD1  LEU  16          3HD1      LEU  16  11.543  -1.917  -2.359
   65   1HD2  LEU  16          1HD2      LEU  16  15.158  -3.019  -2.982
   66   2HD2  LEU  16          2HD2      LEU  16  13.684  -2.647  -3.876
   67   3HD2  LEU  16          3HD2      LEU  16  13.911  -4.251  -3.178
   68    H    GLU  17           H        GLU  17  15.839  -0.971   1.512
   69    HA   GLU  17           HA       GLU  17  17.704  -2.892   2.454
   70   1HB   GLU  17          1HB       GLU  17  17.478  -0.132   2.249
   71   2HB   GLU  17          2HB       GLU  17  18.860  -0.993   2.918
   72   2HG   GLU  17          1HG       GLU  17  17.928  -0.828   5.166
   73   1HG   GLU  17          2HG       GLU  17  16.463  -0.076   4.533
   74    H    LYS  18           H        LYS  18  14.725  -1.760   3.887
   75    HA   LYS  18           HA       LYS  18  15.383  -2.978   6.522
   76   2HB   LYS  18          1HB       LYS  18  12.982  -1.935   6.905
   77   1HB   LYS  18          2HB       LYS  18  13.339  -1.081   5.404
   78   2HG   LYS  18          1HG       LYS  18  14.364   0.421   6.779
   79   1HG   LYS  18          2HG       LYS  18  15.685  -0.746   6.774
   80   1HD   LYS  18          1HD       LYS  18  13.454  -1.133   8.736
   81   2HD   LYS  18          2HD       LYS  18  14.641   0.130   9.059
   82   2HE   LYS  18          1HE       LYS  18  15.876  -1.561   9.987
   83   1HE   LYS  18          2HE       LYS  18  16.235  -2.014   8.311
   84   1HZ   LYS  18          1HZ       LYS  18  14.281  -3.415   8.291
   85   2HZ   LYS  18          2HZ       LYS  18  13.853  -2.919   9.859
   86   3HZ   LYS  18          3HZ       LYS  18  15.250  -3.854   9.611
   87    H    VAL  19           H        VAL  19  13.297  -3.453   3.680
   88    HA   VAL  19           HA       VAL  19  11.600  -5.463   4.921
   89    HB   VAL  19           HB       VAL  19  11.249  -3.952   2.836
   90   1HG1  VAL  19          1HG1      VAL  19  13.282  -4.722   1.639
   91   2HG1  VAL  19          2HG1      VAL  19  11.817  -5.002   0.701
   92   3HG1  VAL  19          3HG1      VAL  19  12.591  -6.341   1.546
   93   1HG2  VAL  19          1HG2      VAL  19  10.376  -6.690   3.475
   94   2HG2  VAL  19          2HG2      VAL  19  10.089  -6.220   1.799
   95   3HG2  VAL  19          3HG2      VAL  19   9.406  -5.263   3.111
   96    H    LEU  20           H        LEU  20  14.552  -5.594   2.939
   97    HA   LEU  20           HA       LEU  20  14.592  -8.434   2.542
   98   1HB   LEU  20          1HB       LEU  20  15.997  -6.744   1.338
   99   2HB   LEU  20          2HB       LEU  20  16.955  -8.062   2.003
  100    HG   LEU  20           HG       LEU  20  16.549  -5.635   3.707
  101   1HD1  LEU  20          1HD1      LEU  20  19.232  -6.725   3.426
  102   2HD1  LEU  20          2HD1      LEU  20  18.070  -7.993   3.813
  103   3HD1  LEU  20          3HD1      LEU  20  18.230  -6.592   4.871
  104   1HD2  LEU  20          1HD2      LEU  20  18.507  -5.794   1.393
  105   2HD2  LEU  20          2HD2      LEU  20  18.449  -4.514   2.604
  106   3HD2  LEU  20          3HD2      LEU  20  17.108  -4.723   1.476
  107    H    GLU  21           H        GLU  21  15.361  -6.359   5.243
  108    HA   GLU  21           HA       GLU  21  16.860  -8.262   6.791
  109   2HB   GLU  21          1HB       GLU  21  15.611  -6.526   8.554
  110   1HB   GLU  21          2HB       GLU  21  15.636  -5.606   7.050
  111   2HG   GLU  21          1HG       GLU  21  18.083  -6.096   6.849
  112   1HG   GLU  21          2HG       GLU  21  18.017  -6.889   8.424
  113    H    LEU  22           H        LEU  22  13.421  -7.500   6.376
  114    HA   LEU  22           HA       LEU  22  12.472  -9.201   8.547
  115   2HB   LEU  22          1HB       LEU  22  10.362  -8.867   6.843
  116   1HB   LEU  22          2HB       LEU  22  11.401  -7.543   6.321
  117    HG   LEU  22           HG       LEU  22   9.894  -6.757   8.077
  118   1HD1  LEU  22          1HD1      LEU  22  10.824  -9.261   9.406
  119   2HD1  LEU  22          2HD1      LEU  22   9.228  -8.509   9.410
  120   3HD1  LEU  22          3HD1      LEU  22  10.508  -7.866  10.439
  121   1HD2  LEU  22          1HD2      LEU  22  12.672  -7.138   9.237
  122   2HD2  LEU  22          2HD2      LEU  22  11.538  -5.842   9.611
  123   3HD2  LEU  22          3HD2      LEU  22  12.273  -5.936   8.012
  124    H    ASN  23           H        ASN  23  13.321  -9.637   5.173
  125    HA   ASN  23           HA       ASN  23  12.018 -12.263   4.907
  126   2HB   ASN  23          1HB       ASN  23  13.417 -12.186   2.745
  127   1HB   ASN  23          2HB       ASN  23  13.926 -10.579   3.261
  128   1HD2  ASN  23          1HD2      ASN  23  12.595  -8.907   2.549
  129   2HD2  ASN  23          2HD2      ASN  23  10.975  -9.082   2.075
  130    H    ALA  24           H        ALA  24  14.956 -11.062   6.239
  131    HA   ALA  24           HA       ALA  24  16.556 -13.441   5.764
  132   1HB   ALA  24          1HB       ALA  24  17.446 -11.115   5.861
  133   2HB   ALA  24          2HB       ALA  24  18.206 -12.167   7.056
  134   3HB   ALA  24          3HB       ALA  24  16.950 -11.032   7.552
  135    H    LYS  25           H        LYS  25  14.624 -12.006   8.365
  136    HA   LYS  25           HA       LYS  25  15.427 -14.141  10.251
  137   1HB   LYS  25          1HB       LYS  25  15.210 -11.695  10.845
  138   2HB   LYS  25          2HB       LYS  25  14.251 -12.766  11.865
  139   2HG   LYS  25          1HG       LYS  25  12.241 -12.074  10.930
  140   1HG   LYS  25          2HG       LYS  25  12.987 -11.625   9.398
  141   2HD   LYS  25          1HD       LYS  25  12.495  -9.547  10.408
  142   1HD   LYS  25          2HD       LYS  25  14.205  -9.789  10.769
  143   2HE   LYS  25          1HE       LYS  25  13.803  -9.920  13.012
  144   1HE   LYS  25          2HE       LYS  25  12.406 -10.988  12.778
  145   1HZ   LYS  25          1HZ       LYS  25  12.423  -8.069  12.180
  146   2HZ   LYS  25          2HZ       LYS  25  11.814  -8.738  13.618
  147   3HZ   LYS  25          3HZ       LYS  25  11.082  -9.107  12.130
  148    H    GLY  26           H        GLY  26  12.944 -13.433   7.963
  149   2HA   GLY  26          1HA       GLY  26  11.520 -15.911   8.699
  150   1HA   GLY  26          2HA       GLY  26  11.265 -14.962   7.233
  151    H    GLU  27           H        GLU  27  11.025 -12.415   8.705
  152    HA   GLU  27           HA       GLU  27   8.430 -12.893  10.138
  153   2HB   GLU  27          1HB       GLU  27   9.105 -10.489  10.998
  154   1HB   GLU  27          2HB       GLU  27  10.708 -10.961  10.433
  155   2HG   GLU  27          1HG       GLU  27  11.000 -12.211  12.285
  156   1HG   GLU  27          2HG       GLU  27   9.570 -13.160  11.882
  157    H    LYS  28           H        LYS  28   6.623 -12.093   9.167
  158    HA   LYS  28           HA       LYS  28   6.920 -10.298   6.810
  159   2HB   LYS  28          1HB       LYS  28   4.452 -11.012   6.587
  160   1HB   LYS  28          2HB       LYS  28   4.769 -12.118   7.921
  161   1HG   LYS  28          1HG       LYS  28   6.873 -12.313   5.945
  162   2HG   LYS  28          2HG       LYS  28   5.302 -12.551   5.179
  163   2HD   LYS  28          1HD       LYS  28   5.166 -14.619   6.064
  164   1HD   LYS  28          2HD       LYS  28   5.336 -13.952   7.689
  165   2HE   LYS  28          1HE       LYS  28   7.858 -13.871   7.252
  166   1HE   LYS  28          2HE       LYS  28   7.542 -14.847   5.803
  167   1HZ   LYS  28          1HZ       LYS  28   7.987 -16.241   7.753
  168   2HZ   LYS  28          2HZ       LYS  28   6.396 -16.462   7.199
  169   3HZ   LYS  28          3HZ       LYS  28   6.695 -15.520   8.582
  170    H    ARG  29           H        ARG  29   7.372  -8.414   8.255
  171    HA   ARG  29           HA       ARG  29   5.022  -7.444   9.824
  172   2HB   ARG  29          1HB       ARG  29   7.590  -5.972   9.855
  173   1HB   ARG  29          2HB       ARG  29   7.707  -7.651  10.377
  174   2HG   ARG  29          1HG       ARG  29   5.513  -6.971  11.753
  175   1HG   ARG  29          2HG       ARG  29   6.243  -5.370  11.629
  176   2HD   ARG  29          1HD       ARG  29   8.076  -5.966  12.931
  177   1HD   ARG  29          2HD       ARG  29   7.998  -7.670  12.442
  178    HE   ARG  29           HE       ARG  29   6.296  -6.363  14.506
  179   1HH1  ARG  29          1HH1      ARG  29   8.004  -8.916  14.780
  180   2HH1  ARG  29          2HH1      ARG  29   6.766 -10.126  14.809
  181   1HH2  ARG  29          1HH2      ARG  29   4.292  -8.007  13.600
  182   2HH2  ARG  29          2HH2      ARG  29   4.659  -9.611  14.140
  183    H    LEU  30           H        LEU  30   6.090  -4.645   9.579
  184    HA   LEU  30           HA       LEU  30   5.233  -4.094   6.762
  185   1HB   LEU  30          1HB       LEU  30   3.824  -3.580   9.008
  186   2HB   LEU  30          2HB       LEU  30   3.735  -2.548   7.589
  187    HG   LEU  30           HG       LEU  30   5.985  -1.752   9.221
  188   1HD1  LEU  30          1HD1      LEU  30   3.397  -0.504   8.288
  189   2HD1  LEU  30          2HD1      LEU  30   5.025  -0.223   7.673
  190   3HD1  LEU  30          3HD1      LEU  30   4.568   0.385   9.263
  191   1HD2  LEU  30          1HD2      LEU  30   4.733  -2.733  11.087
  192   2HD2  LEU  30          2HD2      LEU  30   3.277  -1.871  10.586
  193   3HD2  LEU  30          3HD2      LEU  30   4.671  -0.972  11.187
  194    H    ILE  31           H        ILE  31   6.262  -2.235   5.745
  195    HA   ILE  31           HA       ILE  31   8.846  -1.424   7.054
  196    HB   ILE  31           HB       ILE  31   8.194  -1.635   4.100
  197   1HG2  ILE  31          1HG2      ILE  31  10.621  -1.490   3.791
  198   2HG2  ILE  31          2HG2      ILE  31  10.856  -1.428   5.539
  199   3HG2  ILE  31          3HG2      ILE  31  10.053  -0.096   4.711
  200   1HG1  ILE  31          1HG1      ILE  31   9.646  -3.696   4.200
  201   2HG1  ILE  31          2HG1      ILE  31   8.087  -3.866   4.999
  202   1HD1  ILE  31          1HD1      ILE  31  10.118  -2.843   6.822
  203   2HD1  ILE  31          2HD1      ILE  31  10.587  -4.394   6.125
  204   3HD1  ILE  31          3HD1      ILE  31   9.060  -4.245   6.996
  205    H    LYS  32           H        LYS  32   9.518   0.760   6.683
  206    HA   LYS  32           HA       LYS  32   7.258   2.644   6.156
  207   1HB   LYS  32          1HB       LYS  32   8.655   4.219   7.441
  208   2HB   LYS  32          2HB       LYS  32   9.965   3.041   7.472
  209   1HG   LYS  32          1HG       LYS  32   8.455   3.194   9.563
  210   2HG   LYS  32          2HG       LYS  32   8.783   1.588   8.916
  211   2HD   LYS  32          1HD       LYS  32   6.619   1.264   8.298
  212   1HD   LYS  32          2HD       LYS  32   6.429   2.924   7.735
  213   1HE   LYS  32          1HE       LYS  32   6.752   2.785  10.645
  214   2HE   LYS  32          2HE       LYS  32   5.334   1.882  10.077
  215   1HZ   LYS  32          1HZ       LYS  32   6.052   4.657   9.259
  216   2HZ   LYS  32          2HZ       LYS  32   4.861   4.264  10.404
  217   3HZ   LYS  32          3HZ       LYS  32   4.667   3.801   8.782
  218    H    THR  33           H        THR  33   7.358   4.081   4.448
  219    HA   THR  33           HA       THR  33   9.887   4.143   2.819
  220    HB   THR  33           HB       THR  33   7.033   4.360   1.827
  221    HG1  THR  33          1HG       THR  33   6.998   2.337   2.480
  222   1HG2  THR  33          1HG2      THR  33   8.052   3.724  -0.307
  223   2HG2  THR  33          2HG2      THR  33   9.625   3.607   0.475
  224   3HG2  THR  33          3HG2      THR  33   8.825   5.172   0.338
  225    H    TRP  34           H        TRP  34  10.403   6.258   1.873
  226    HA   TRP  34           HA       TRP  34   8.618   8.532   2.649
  227   1HB   TRP  34          1HB       TRP  34  10.287   9.619   3.897
  228   2HB   TRP  34          2HB       TRP  34  11.577   8.655   3.186
  229    HD1  TRP  34           HD       TRP  34   8.807   8.481   5.799
  230    HE3  TRP  34          3HE       TRP  34  12.752   6.379   3.364
  231    HE1  TRP  34          1HE       TRP  34   9.310   6.518   7.395
  232    HZ3  TRP  34          3HZ       TRP  34  13.871   4.360   4.275
  233    HZ2  TRP  34          2HZ       TRP  34  11.161   4.338   7.605
  234    HH2  TRP  34           HH       TRP  34  13.078   3.336   6.388
  235    H    SER  35           H        SER  35   9.255   7.505  -0.066
  236    HA   SER  35           HA       SER  35  11.079   9.633  -1.102
  237   2HB   SER  35          1HB       SER  35  10.505   8.092  -3.245
  238   1HB   SER  35          2HB       SER  35  10.169   6.936  -1.961
  239    HG   SER  35           HG       SER  35  12.565   8.116  -2.701
  240    H    ARG  36           H        ARG  36   8.619   8.321  -3.208
  241    HA   ARG  36           HA       ARG  36   6.632  10.414  -2.844
  242   2HB   ARG  36          1HB       ARG  36   7.848  10.826  -5.472
  243   1HB   ARG  36          2HB       ARG  36   9.000  11.121  -4.171
  244   2HG   ARG  36          1HG       ARG  36   7.959  13.211  -4.407
  245   1HG   ARG  36          2HG       ARG  36   7.039  12.480  -3.093
  246   2HD   ARG  36          1HD       ARG  36   5.480  11.592  -5.006
  247   1HD   ARG  36          2HD       ARG  36   6.238  12.871  -5.976
  248    HE   ARG  36           HE       ARG  36   5.504  13.977  -3.447
  249   1HH1  ARG  36          1HH1      ARG  36   4.596  15.681  -5.394
  250   2HH1  ARG  36          2HH1      ARG  36   2.930  15.298  -5.675
  251   1HH2  ARG  36          1HH2      ARG  36   3.122  12.161  -4.191
  252   2HH2  ARG  36          2HH2      ARG  36   2.094  13.301  -4.994
  253    H    ARG  37           H        ARG  37   8.106   8.602  -5.569
  254    HA   ARG  37           HA       ARG  37   5.397   7.547  -6.280
  255   1HB   ARG  37          1HB       ARG  37   6.728   8.778  -7.993
  256   2HB   ARG  37          2HB       ARG  37   6.454   7.103  -8.465
  257   2HG   ARG  37          1HG       ARG  37   8.686   6.886  -8.705
  258   1HG   ARG  37          2HG       ARG  37   8.835   7.072  -6.958
  259   2HD   ARG  37          1HD       ARG  37   9.229   9.418  -7.138
  260   1HD   ARG  37          2HD       ARG  37   8.647   9.462  -8.815
  261    HE   ARG  37           HE       ARG  37  11.203   8.174  -7.920
  262   1HH1  ARG  37          1HH1      ARG  37  11.471  10.612  -9.524
  263   2HH1  ARG  37          2HH1      ARG  37  11.597  10.017 -11.145
  264   1HH2  ARG  37          1HH2      ARG  37  10.336   6.873 -10.371
  265   2HH2  ARG  37          2HH2      ARG  37  10.952   7.894 -11.626
  266    H    SER  38           H        SER  38   6.925   6.559  -4.008
  267    HA   SER  38           HA       SER  38   8.488   4.281  -4.333
  268   2HB   SER  38          1HB       SER  38   7.122   3.700  -2.108
  269   1HB   SER  38          2HB       SER  38   6.529   5.350  -2.341
  270    HG   SER  38           HG       SER  38   8.354   6.032  -1.645
  271    H    THR  39           H        THR  39   8.115   2.156  -4.838
  272    HA   THR  39           HA       THR  39   5.300   1.230  -5.285
  273    HB   THR  39           HB       THR  39   7.735   1.187  -7.077
  274    HG1  THR  39          1HG       THR  39   6.525   2.764  -7.765
  275   1HG2  THR  39          1HG2      THR  39   5.345  -0.662  -7.138
  276   2HG2  THR  39          2HG2      THR  39   7.058  -1.087  -7.200
  277   3HG2  THR  39          3HG2      THR  39   6.291  -0.310  -8.585
  278    H    ILE  40           H        ILE  40   5.213  -1.238  -5.355
  279    HA   ILE  40           HA       ILE  40   6.932  -2.354  -3.224
  280    HB   ILE  40           HB       ILE  40   4.687  -3.543  -4.867
  281   1HG2  ILE  40          1HG2      ILE  40   4.559  -5.264  -3.209
  282   2HG2  ILE  40          2HG2      ILE  40   5.729  -4.445  -2.180
  283   3HG2  ILE  40          3HG2      ILE  40   6.245  -5.165  -3.701
  284   1HG1  ILE  40          1HG1      ILE  40   4.791  -1.796  -2.461
  285   2HG1  ILE  40          2HG1      ILE  40   3.640  -3.126  -2.407
  286   1HD1  ILE  40          1HD1      ILE  40   2.342  -1.502  -3.417
  287   2HD1  ILE  40          2HD1      ILE  40   3.045  -2.266  -4.844
  288   3HD1  ILE  40          3HD1      ILE  40   3.720  -0.759  -4.224
  289    H    VAL  41           H        VAL  41   8.016  -4.458  -3.531
  290    HA   VAL  41           HA       VAL  41   8.794  -5.146  -6.340
  291    HB   VAL  41           HB       VAL  41  11.191  -5.359  -5.130
  292   1HG1  VAL  41          1HG1      VAL  41  10.764  -4.080  -7.165
  293   2HG1  VAL  41          2HG1      VAL  41  11.726  -3.109  -6.049
  294   3HG1  VAL  41          3HG1      VAL  41  10.000  -2.796  -6.229
  295   1HG2  VAL  41          1HG2      VAL  41   9.844  -3.053  -3.691
  296   2HG2  VAL  41          2HG2      VAL  41  11.565  -3.424  -3.641
  297   3HG2  VAL  41          3HG2      VAL  41  10.402  -4.551  -2.947
  298    HA   PRO  42           HA       PRO  42   8.819  -9.303  -5.047
  299   2HB   PRO  42          1HB       PRO  42  10.072  -9.913  -6.881
  300   1HB   PRO  42          2HB       PRO  42  11.322 -10.234  -5.662
  301   1HG   PRO  42          1HG       PRO  42  11.794  -8.574  -7.658
  302   2HG   PRO  42          2HG       PRO  42  12.348  -8.182  -6.018
  303   2HD   PRO  42          1HD       PRO  42   9.958  -7.154  -7.519
  304   1HD   PRO  42          2HD       PRO  42  11.131  -6.264  -6.521
  305    H    GLU  43           H        GLU  43  11.477  -7.316  -3.942
  306    HA   GLU  43           HA       GLU  43  12.405  -8.941  -1.766
  307   2HB   GLU  43          1HB       GLU  43  12.763  -6.235  -1.123
  308   1HB   GLU  43          2HB       GLU  43  12.746  -6.274  -2.886
  309   2HG   GLU  43          1HG       GLU  43  14.535  -7.874  -2.947
  310   1HG   GLU  43          2HG       GLU  43  14.427  -8.151  -1.207
  311    H    MET  44           H        MET  44   9.412  -7.237  -2.171
  312    HA   MET  44           HA       MET  44   8.904  -7.513   0.744
  313   1HB   MET  44          1HB       MET  44   9.606  -5.212   0.290
  314   2HB   MET  44          2HB       MET  44   7.913  -5.263   0.778
  315   2HG   MET  44          1HG       MET  44   7.558  -5.497  -1.859
  316   1HG   MET  44          2HG       MET  44   9.106  -4.659  -1.885
  317   1HE   MET  44          1HE       MET  44   8.390  -1.164  -1.387
  318   2HE   MET  44          2HE       MET  44   8.710  -2.312  -2.680
  319   3HE   MET  44          3HE       MET  44   9.607  -2.428  -1.169
  320    H    VAL  45           H        VAL  45   7.894  -9.323  -1.232
  321    HA   VAL  45           HA       VAL  45   5.115  -8.480  -1.756
  322    HB   VAL  45           HB       VAL  45   6.419 -11.137  -2.357
  323   1HG1  VAL  45          1HG1      VAL  45   4.243  -9.465  -3.631
  324   2HG1  VAL  45          2HG1      VAL  45   4.036 -10.978  -2.743
  325   3HG1  VAL  45          3HG1      VAL  45   4.864 -10.974  -4.303
  326   1HG2  VAL  45          1HG2      VAL  45   7.883  -9.228  -3.110
  327   2HG2  VAL  45          2HG2      VAL  45   6.527  -8.631  -4.066
  328   3HG2  VAL  45          3HG2      VAL  45   7.248 -10.197  -4.440
  329    H    GLY  46           H        GLY  46   6.112  -9.031   1.049
  330   2HA   GLY  46          1HA       GLY  46   5.514 -11.332   2.319
  331   1HA   GLY  46          2HA       GLY  46   3.899 -10.794   1.854
  332    H    HIS  47           H        HIS  47   4.843  -7.893   2.150
  333    HA   HIS  47           HA       HIS  47   4.579  -7.763   5.130
  334   1HB   HIS  47          1HB       HIS  47   6.448  -6.301   5.288
  335   2HB   HIS  47          2HB       HIS  47   6.447  -5.970   3.562
  336    HD1  HIS  47          1HD       HIS  47   7.741  -8.339   6.107
  337    HD2  HIS  47          2HD       HIS  47   7.555  -8.130   1.939
  338    HE1  HIS  47          1HE       HIS  47   9.346 -10.089   5.226
  339    H    THR  48           H        THR  48   3.986  -5.466   5.817
  340    HA   THR  48           HA       THR  48   2.079  -4.266   3.864
  341    HB   THR  48           HB       THR  48   2.226  -3.273   6.656
  342    HG1  THR  48          1HG       THR  48   2.185  -5.136   7.578
  343   1HG2  THR  48          1HG2      THR  48   0.372  -3.315   4.610
  344   2HG2  THR  48          2HG2      THR  48   0.036  -2.894   6.288
  345   3HG2  THR  48          3HG2      THR  48  -0.234  -4.542   5.722
  346    H    ILE  49           H        ILE  49   3.895  -3.332   2.673
  347    HA   ILE  49           HA       ILE  49   5.751  -1.499   3.976
  348    HB   ILE  49           HB       ILE  49   5.064  -2.001   1.067
  349   1HG2  ILE  49          1HG2      ILE  49   7.399  -1.179   0.688
  350   2HG2  ILE  49          2HG2      ILE  49   7.479  -0.733   2.393
  351   3HG2  ILE  49          3HG2      ILE  49   6.320   0.061   1.326
  352   2HG1  ILE  49          1HG1      ILE  49   6.183  -3.962   1.224
  353   1HG1  ILE  49          2HG1      ILE  49   6.070  -3.777   2.970
  354   1HD1  ILE  49          1HD1      ILE  49   8.231  -2.264   2.582
  355   2HD1  ILE  49          2HD1      ILE  49   8.394  -3.299   1.168
  356   3HD1  ILE  49          3HD1      ILE  49   8.344  -4.008   2.777
  357    H    ALA  50           H        ALA  50   5.013   0.460   4.707
  358    HA   ALA  50           HA       ALA  50   2.730   1.774   3.460
  359   1HB   ALA  50          1HB       ALA  50   3.113   3.484   5.163
  360   2HB   ALA  50          2HB       ALA  50   4.695   2.783   5.526
  361   3HB   ALA  50          3HB       ALA  50   3.224   1.876   5.886
  362    H    VAL  51           H        VAL  51   3.615   1.857   1.311
  363    HA   VAL  51           HA       VAL  51   5.999   3.172   0.523
  364    HB   VAL  51           HB       VAL  51   4.844   3.376  -1.657
  365   1HG1  VAL  51          1HG1      VAL  51   3.870   0.777  -0.531
  366   2HG1  VAL  51          2HG1      VAL  51   5.601   1.112  -0.531
  367   3HG1  VAL  51          3HG1      VAL  51   4.706   1.095  -2.051
  368   1HG2  VAL  51          1HG2      VAL  51   2.645   4.125  -0.712
  369   2HG2  VAL  51          2HG2      VAL  51   2.364   2.473  -0.160
  370   3HG2  VAL  51          3HG2      VAL  51   2.484   2.818  -1.884
  371    H    TYR  52           H        TYR  52   6.525   5.334   0.256
  372    HA   TYR  52           HA       TYR  52   4.761   7.314   1.492
  373   2HB   TYR  52          1HB       TYR  52   7.316   7.841  -0.037
  374   1HB   TYR  52          2HB       TYR  52   7.356   7.099   1.562
  375    HD1  TYR  52          1HD       TYR  52   7.209  10.174  -0.234
  376    HE1  TYR  52          1HE       TYR  52   6.963  12.404   0.816
  377    HE2  TYR  52          2HE       TYR  52   5.773  10.540   4.497
  378    HD2  TYR  52          2HD       TYR  52   6.026   8.307   3.448
  379    HH   TYR  52           HH       TYR  52   7.071  13.132   3.635
  380    H    ASN  53           H        ASN  53   3.022   7.905   0.258
  381    HA   ASN  53           HA       ASN  53   3.057   7.963  -2.667
  382   2HB   ASN  53          1HB       ASN  53   1.157   8.848  -0.471
  383   1HB   ASN  53          2HB       ASN  53   1.058   7.384  -1.443
  384   1HD2  ASN  53          1HD2      ASN  53   0.240  10.778  -1.331
  385   2HD2  ASN  53          2HD2      ASN  53  -0.533  10.846  -2.841
  386    H    GLY  54           H        GLY  54   4.789   9.893  -0.795
  387   2HA   GLY  54          1HA       GLY  54   4.188  12.347  -2.375
  388   1HA   GLY  54          2HA       GLY  54   5.778  11.938  -1.722
  389    H    LYS  55           H        LYS  55   2.821  11.453   0.113
  390    HA   LYS  55           HA       LYS  55   3.746  13.494   2.074
  391   2HB   LYS  55          1HB       LYS  55   2.127  14.754   0.965
  392   1HB   LYS  55          2HB       LYS  55   1.156  13.978   2.213
  393   2HG   LYS  55          1HG       LYS  55   0.740  12.110   0.483
  394   1HG   LYS  55          2HG       LYS  55   1.354  13.256  -0.710
  395   2HD   LYS  55          1HD       LYS  55  -0.353  14.908   0.078
  396   1HD   LYS  55          2HD       LYS  55  -1.005  13.672   1.154
  397   2HE   LYS  55          1HE       LYS  55  -1.427  12.215  -0.841
  398   1HE   LYS  55          2HE       LYS  55  -0.865  13.535  -1.885
  399   1HZ   LYS  55          1HZ       LYS  55  -2.541  14.973  -0.847
  400   2HZ   LYS  55          2HZ       LYS  55  -3.093  13.668   0.092
  401   3HZ   LYS  55          3HZ       LYS  55  -3.266  13.636  -1.598
  402    H    GLN  56           H        GLN  56   1.914  10.556   1.386
  403    HA   GLN  56           HA       GLN  56   1.653  10.078   4.331
  404   2HB   GLN  56          1HB       GLN  56  -0.350   8.653   3.207
  405   1HB   GLN  56          2HB       GLN  56  -0.164   9.919   1.993
  406   2HG   GLN  56          1HG       GLN  56  -1.758  10.692   3.638
  407   1HG   GLN  56          2HG       GLN  56  -0.261  11.606   3.840
  408   1HE2  GLN  56          1HE2      GLN  56  -0.129   8.278   4.944
  409   2HE2  GLN  56          2HE2      GLN  56  -0.249   8.617   6.601
  410    H    HIS  57           H        HIS  57   1.756   7.896   5.045
  411    HA   HIS  57           HA       HIS  57   3.435   6.075   3.430
  412   2HB   HIS  57          1HB       HIS  57   3.462   4.929   5.715
  413   1HB   HIS  57          2HB       HIS  57   2.485   6.255   6.313
  414    HD1  HIS  57          1HD       HIS  57   5.770   5.301   6.565
  415    HD2  HIS  57          2HD       HIS  57   4.044   8.843   5.207
  416    HE1  HIS  57          1HE       HIS  57   7.534   7.097   6.808
  417    H    VAL  58           H        VAL  58   2.210   4.629   2.176
  418    HA   VAL  58           HA       VAL  58  -0.500   3.826   3.171
  419    HB   VAL  58           HB       VAL  58   0.829   3.526   0.451
  420   1HG1  VAL  58          1HG1      VAL  58  -0.982   1.904   0.848
  421   2HG1  VAL  58          2HG1      VAL  58  -1.484   3.114  -0.332
  422   3HG1  VAL  58          3HG1      VAL  58  -2.058   3.215   1.332
  423   1HG2  VAL  58          1HG2      VAL  58  -1.048   5.618   1.582
  424   2HG2  VAL  58          2HG2      VAL  58  -0.795   5.395  -0.148
  425   3HG2  VAL  58          3HG2      VAL  58   0.551   5.874   0.886
  426    HA   PRO  59           HA       PRO  59   2.123   0.185   4.216
  427   2HB   PRO  59          1HB       PRO  59   1.682   0.515   6.466
  428   1HB   PRO  59          2HB       PRO  59   0.441  -0.725   6.191
  429   1HG   PRO  59          1HG       PRO  59  -0.198   1.673   7.142
  430   2HG   PRO  59          2HG       PRO  59  -1.244   0.848   5.972
  431   2HD   PRO  59          1HD       PRO  59   0.667   3.114   5.556
  432   1HD   PRO  59          2HD       PRO  59  -0.934   2.839   4.835
  433    H    VAL  60           H        VAL  60   1.603  -0.685   2.200
  434    HA   VAL  60           HA       VAL  60  -0.994  -2.089   1.859
  435    HB   VAL  60           HB       VAL  60   0.059  -2.540  -0.442
  436   1HG1  VAL  60          1HG1      VAL  60  -1.121  -0.195   0.684
  437   2HG1  VAL  60          2HG1      VAL  60  -1.203  -0.764  -0.984
  438   3HG1  VAL  60          3HG1      VAL  60   0.097   0.318  -0.485
  439   1HG2  VAL  60          1HG2      VAL  60   2.419  -2.007   0.587
  440   2HG2  VAL  60          2HG2      VAL  60   1.981  -0.334   0.239
  441   3HG2  VAL  60          3HG2      VAL  60   2.056  -1.516  -1.067
  442    H    TYR  61           H        TYR  61  -1.027  -4.111   2.852
  443    HA   TYR  61           HA       TYR  61   1.376  -5.675   3.258
  444   2HB   TYR  61          1HB       TYR  61  -1.436  -6.777   3.183
  445   1HB   TYR  61          2HB       TYR  61  -0.889  -5.762   4.522
  446    HD1  TYR  61          1HD       TYR  61   0.836  -8.396   2.448
  447    HE1  TYR  61          1HE       TYR  61   2.009 -10.320   3.432
  448    HE2  TYR  61          2HE       TYR  61   0.791  -9.055   7.356
  449    HD2  TYR  61          2HD       TYR  61  -0.395  -7.122   6.367
  450    HH   TYR  61           HH       TYR  61   1.507 -11.615   6.105
  451    H    ILE  62           H        ILE  62   2.388  -5.949   1.275
  452    HA   ILE  62           HA       ILE  62   0.986  -6.815  -1.112
  453    HB   ILE  62           HB       ILE  62   3.921  -6.783  -0.351
  454   1HG2  ILE  62          1HG2      ILE  62   4.422  -7.018  -2.650
  455   2HG2  ILE  62          2HG2      ILE  62   2.772  -6.643  -3.140
  456   3HG2  ILE  62          3HG2      ILE  62   3.135  -8.193  -2.380
  457   1HG1  ILE  62          1HG1      ILE  62   2.033  -4.673  -0.854
  458   2HG1  ILE  62          2HG1      ILE  62   3.211  -4.713  -2.165
  459   1HD1  ILE  62          1HD1      ILE  62   5.046  -4.692  -0.500
  460   2HD1  ILE  62          2HD1      ILE  62   3.858  -4.629   0.801
  461   3HD1  ILE  62          3HD1      ILE  62   4.008  -3.278  -0.322
  462    H    THR  63           H        THR  63   0.469  -8.862  -1.630
  463    HA   THR  63           HA       THR  63   1.704 -11.126  -0.129
  464    HB   THR  63           HB       THR  63  -0.216 -12.395  -1.008
  465    HG1  THR  63          1HG       THR  63  -1.638 -11.477  -2.395
  466   1HG2  THR  63          1HG2      THR  63  -1.990 -11.280   0.184
  467   2HG2  THR  63          2HG2      THR  63  -1.172  -9.724   0.034
  468   3HG2  THR  63          3HG2      THR  63  -0.483 -10.989   1.053
  469    H    GLU  64           H        GLU  64   2.429 -12.942  -1.481
  470    HA   GLU  64           HA       GLU  64   4.239 -12.452  -3.464
  471   2HB   GLU  64          1HB       GLU  64   4.053 -14.618  -2.481
  472   1HB   GLU  64          2HB       GLU  64   3.714 -14.851  -4.196
  473   2HG   GLU  64          1HG       GLU  64   1.235 -14.230  -2.970
  474   1HG   GLU  64          2HG       GLU  64   2.021 -15.420  -1.933
  475    H    ASN  65           H        ASN  65   0.733 -12.296  -3.954
  476    HA   ASN  65           HA       ASN  65   1.231 -12.109  -6.916
  477   1HB   ASN  65          1HB       ASN  65  -0.014 -14.097  -6.128
  478   2HB   ASN  65          2HB       ASN  65  -0.996 -13.074  -7.175
  479   1HD2  ASN  65          1HD2      ASN  65  -0.602 -14.232  -3.857
  480   2HD2  ASN  65          2HD2      ASN  65  -2.055 -13.586  -3.266
  481    H    MET  66           H        MET  66   1.205  -9.849  -4.882
  482    HA   MET  66           HA       MET  66  -1.016  -8.241  -6.110
  483   2HB   MET  66          1HB       MET  66  -0.951  -7.052  -3.852
  484   1HB   MET  66          2HB       MET  66   0.014  -8.413  -3.289
  485   2HG   MET  66          1HG       MET  66  -2.274  -8.928  -2.766
  486   1HG   MET  66          2HG       MET  66  -1.850  -9.919  -4.162
  487   1HE   MET  66          1HE       MET  66  -4.145 -10.403  -5.012
  488   2HE   MET  66          2HE       MET  66  -5.468  -9.240  -5.073
  489   3HE   MET  66          3HE       MET  66  -4.747  -9.661  -3.522
  490    H    VAL  67           H        VAL  67   2.367  -8.467  -5.316
  491    HA   VAL  67           HA       VAL  67   3.124  -5.702  -5.357
  492    HB   VAL  67           HB       VAL  67   4.479  -7.598  -4.514
  493   1HG1  VAL  67          1HG1      VAL  67   4.090  -9.365  -6.029
  494   2HG1  VAL  67          2HG1      VAL  67   5.745  -8.877  -6.394
  495   3HG1  VAL  67          3HG1      VAL  67   4.420  -8.353  -7.436
  496   1HG2  VAL  67          1HG2      VAL  67   5.415  -5.361  -5.588
  497   2HG2  VAL  67          2HG2      VAL  67   6.063  -6.470  -6.796
  498   3HG2  VAL  67          3HG2      VAL  67   6.517  -6.649  -5.102
  499    H    GLY  68           H        GLY  68   4.380  -4.611  -7.076
  500   2HA   GLY  68          1HA       GLY  68   3.575  -5.461  -9.827
  501   1HA   GLY  68          2HA       GLY  68   5.128  -4.717  -9.463
  502    H    HIS  69           H        HIS  69   2.582  -3.235  -7.670
  503    HA   HIS  69           HA       HIS  69   2.298  -1.166  -9.810
  504   2HB   HIS  69          1HB       HIS  69   0.157  -0.677  -8.604
  505   1HB   HIS  69          2HB       HIS  69   0.486  -2.016  -7.509
  506    HD1  HIS  69          1HD       HIS  69  -1.558  -1.441 -10.247
  507    HD2  HIS  69          2HD       HIS  69   1.300  -4.399  -9.526
  508    HE1  HIS  69          1HE       HIS  69  -2.099  -3.358 -11.811
  509    H    LYS  70           H        LYS  70   1.426  -0.756  -6.447
  510    HA   LYS  70           HA       LYS  70   3.719   0.591  -5.464
  511   2HB   LYS  70          1HB       LYS  70   3.531   2.322  -7.021
  512   1HB   LYS  70          2HB       LYS  70   2.594   2.967  -5.679
  513   1HG   LYS  70          1HG       LYS  70   1.139   1.278  -7.651
  514   2HG   LYS  70          2HG       LYS  70   1.636   2.878  -8.185
  515   2HD   LYS  70          1HD       LYS  70   0.616   3.553  -5.799
  516   1HD   LYS  70          2HD       LYS  70  -0.337   2.097  -6.084
  517   2HE   LYS  70          1HE       LYS  70  -0.810   3.100  -8.430
  518   1HE   LYS  70          2HE       LYS  70  -0.224   4.627  -7.743
  519   1HZ   LYS  70          1HZ       LYS  70  -1.810   4.398  -5.947
  520   2HZ   LYS  70          2HZ       LYS  70  -2.331   2.893  -6.541
  521   3HZ   LYS  70          3HZ       LYS  70  -2.636   4.311  -7.425
  522    H    LEU  71           H        LEU  71   0.299   0.340  -5.555
  523    HA   LEU  71           HA       LEU  71  -0.180  -0.310  -2.857
  524   1HB   LEU  71          1HB       LEU  71   0.698   2.116  -2.680
  525   2HB   LEU  71          2HB       LEU  71  -0.793   1.743  -1.827
  526    HG   LEU  71           HG       LEU  71  -1.191   2.624  -4.612
  527   1HD1  LEU  71          1HD1      LEU  71  -2.314   3.758  -2.045
  528   2HD1  LEU  71          2HD1      LEU  71  -2.920   2.260  -2.749
  529   3HD1  LEU  71          3HD1      LEU  71  -3.042   3.770  -3.651
  530   1HD2  LEU  71          1HD2      LEU  71  -0.666   4.956  -4.215
  531   2HD2  LEU  71          2HD2      LEU  71   0.780   4.012  -3.854
  532   3HD2  LEU  71          3HD2      LEU  71  -0.228   4.619  -2.540
  533    H    GLY  72           H        GLY  72  -1.320   0.616  -5.997
  534   2HA   GLY  72          1HA       GLY  72  -3.427   0.612  -6.991
  535   1HA   GLY  72          2HA       GLY  72  -4.147   0.717  -5.386
  536    H    GLU  73           H        GLU  73  -1.872  -1.835  -5.749
  537    HA   GLU  73           HA       GLU  73  -3.852  -3.836  -6.663
  538   2HB   GLU  73          1HB       GLU  73  -1.699  -5.256  -5.924
  539   1HB   GLU  73          2HB       GLU  73  -0.935  -3.670  -6.021
  540   2HG   GLU  73          1HG       GLU  73  -0.703  -4.618  -8.185
  541   1HG   GLU  73          2HG       GLU  73  -2.022  -3.454  -8.324
  542    H    PHE  74           H        PHE  74  -2.731  -2.447  -3.725
  543    HA   PHE  74           HA       PHE  74  -3.904  -4.689  -2.126
  544   1HB   PHE  74          1HB       PHE  74  -2.197  -4.320  -0.580
  545   2HB   PHE  74          2HB       PHE  74  -2.033  -2.626  -1.031
  546    HD1  PHE  74          1HD       PHE  74  -1.012  -6.081  -1.848
  547    HE1  PHE  74          1HE       PHE  74   0.933  -6.597  -3.268
  548    HZ   PHE  74           HZ       PHE  74   2.025  -4.816  -4.568
  549    HE2  PHE  74          2HE       PHE  74   1.186  -2.496  -4.460
  550    HD2  PHE  74          2HD       PHE  74  -0.743  -1.952  -3.028
  551    H    ALA  75           H        ALA  75  -4.073  -1.298  -2.927
  552    HA   ALA  75           HA       ALA  75  -6.270  -0.950  -0.929
  553   1HB   ALA  75          1HB       ALA  75  -5.263   1.350  -0.539
  554   2HB   ALA  75          2HB       ALA  75  -3.864   0.816  -1.474
  555   3HB   ALA  75          3HB       ALA  75  -4.272   0.011   0.041
  556    HA   PRO  76           HA       PRO  76  -7.173   0.778  -5.176
  557   2HB   PRO  76          1HB       PRO  76  -7.031  -1.184  -6.385
  558   1HB   PRO  76          2HB       PRO  76  -8.790  -1.193  -6.172
  559   1HG   PRO  76          1HG       PRO  76  -7.072  -3.156  -5.290
  560   2HG   PRO  76          2HG       PRO  76  -8.695  -2.863  -4.651
  561   2HD   PRO  76          1HD       PRO  76  -6.148  -2.495  -3.358
  562   1HD   PRO  76          2HD       PRO  76  -7.774  -2.310  -2.671
  563    H    THR  77           H        THR  77  -8.302   1.538  -2.800
  564    HA   THR  77           HA       THR  77 -11.118   0.989  -2.508
  565    HB   THR  77           HB       THR  77  -9.484   1.912  -0.802
  566    HG1  THR  77          1HG       THR  77 -11.498   2.136  -0.130
  567   1HG2  THR  77          1HG2      THR  77  -8.508   3.617  -2.393
  568   2HG2  THR  77          2HG2      THR  77  -8.960   4.264  -0.816
  569   3HG2  THR  77          3HG2      THR  77 -10.000   4.542  -2.213
  570    H    ARG  78           H        ARG  78 -12.774   2.859  -2.703
  571    HA   ARG  78           HA       ARG  78 -14.009   4.299  -4.105
  572   2HB   ARG  78          1HB       ARG  78 -11.360   5.305  -5.127
  573   1HB   ARG  78          2HB       ARG  78 -11.796   5.554  -3.436
  574   2HG   ARG  78          1HG       ARG  78 -13.496   7.022  -3.951
  575   1HG   ARG  78          2HG       ARG  78 -13.857   6.231  -5.485
  576   1HD   ARG  78          1HD       ARG  78 -11.215   7.640  -5.173
  577   2HD   ARG  78          2HD       ARG  78 -12.676   8.599  -5.484
  578    HE   ARG  78           HE       ARG  78 -13.041   7.013  -7.466
  579   1HH1  ARG  78          1HH1      ARG  78 -10.972   5.042  -7.240
  580   2HH1  ARG  78          2HH1      ARG  78  -9.643   5.693  -8.140
  581   1HH2  ARG  78          1HH2      ARG  78 -10.880   8.940  -8.125
  582   2HH2  ARG  78          2HH2      ARG  78  -9.590   7.905  -8.642
  583    H    THR  79           H        THR  79 -13.466   1.680  -5.166
  584    HA   THR  79           HA       THR  79 -13.083   2.262  -8.086
  585    HB   THR  79           HB       THR  79 -11.406   0.811  -6.859
  586    HG1  THR  79          1HG       THR  79 -11.167  -0.188  -8.682
  587   1HG2  THR  79          1HG2      THR  79 -12.136  -1.520  -6.355
  588   2HG2  THR  79          2HG2      THR  79 -13.801  -1.040  -6.679
  589   3HG2  THR  79          3HG2      THR  79 -12.925  -0.326  -5.325
  590    H    TYR  80           H        TYR  80 -15.544   1.799  -5.944
  591    HA   TYR  80           HA       TYR  80 -17.266   0.539  -8.025
  592   1HB   TYR  80          1HB       TYR  80 -16.475  -1.238  -6.501
  593   2HB   TYR  80          2HB       TYR  80 -18.204  -0.973  -6.299
  594    HD1  TYR  80          1HD       TYR  80 -14.906  -0.721  -4.740
  595    HE1  TYR  80          1HE       TYR  80 -14.552  -0.263  -2.330
  596    HE2  TYR  80          2HE       TYR  80 -18.710   0.731  -1.908
  597    HD2  TYR  80          2HD       TYR  80 -19.065   0.270  -4.318
  598    HH   TYR  80           HH       TYR  80 -16.636  -0.275  -0.131

  No H/Q in entry =         598
  Start of MODEL   18
    1    H    GLY   8           H        GLY   8   7.386   6.445 -16.343
    2   2HA   GLY   8          1HA       GLY   8   7.823   7.800 -14.334
    3   1HA   GLY   8          2HA       GLY   8   9.189   6.696 -14.498
    4    H    VAL   9           H        VAL   9   9.118   4.690 -13.233
    5    HA   VAL   9           HA       VAL   9   7.516   5.010 -10.724
    6    HB   VAL   9           HB       VAL   9   6.472   3.405 -12.347
    7   1HG1  VAL   9          1HG1      VAL   9   7.562   1.382 -12.976
    8   2HG1  VAL   9          2HG1      VAL   9   8.871   1.640 -11.822
    9   3HG1  VAL   9          3HG1      VAL   9   8.748   2.655 -13.258
   10   1HG2  VAL   9          1HG2      VAL   9   6.260   3.164  -9.855
   11   2HG2  VAL   9          2HG2      VAL   9   7.617   2.040  -9.894
   12   3HG2  VAL   9          3HG2      VAL   9   6.114   1.637 -10.724
   13    H    PHE  10           H        PHE  10   8.730   4.673  -8.889
   14    HA   PHE  10           HA       PHE  10  11.417   3.381  -9.183
   15   2HB   PHE  10          1HB       PHE  10  10.614   6.083  -8.494
   16   1HB   PHE  10          2HB       PHE  10  12.227   5.455  -8.785
   17    HD1  PHE  10          1HD       PHE  10  13.668   4.734  -6.931
   18    HE1  PHE  10          1HE       PHE  10  14.166   4.944  -4.514
   19    HZ   PHE  10           HZ       PHE  10  12.424   5.751  -2.943
   20    HE2  PHE  10          2HE       PHE  10  10.167   6.351  -3.805
   21    HD2  PHE  10          2HD       PHE  10   9.669   6.148  -6.223
   22    H    VAL  11           H        VAL  11  12.036   2.059  -7.442
   23    HA   VAL  11           HA       VAL  11   9.917   1.512  -5.405
   24    HB   VAL  11           HB       VAL  11  10.656  -0.345  -6.909
   25   1HG1  VAL  11          1HG1      VAL  11  13.117   0.662  -6.862
   26   2HG1  VAL  11          2HG1      VAL  11  12.851  -1.067  -7.082
   27   3HG1  VAL  11          3HG1      VAL  11  13.295  -0.439  -5.495
   28   1HG2  VAL  11          1HG2      VAL  11  11.552  -1.812  -4.852
   29   2HG2  VAL  11          2HG2      VAL  11   9.875  -1.282  -4.955
   30   3HG2  VAL  11          3HG2      VAL  11  11.018  -0.397  -3.943
   31    H    ASP  12           H        ASP  12  10.325   2.532  -3.487
   32    HA   ASP  12           HA       ASP  12  12.617   3.915  -2.766
   33   2HB   ASP  12          1HB       ASP  12  10.771   2.412  -0.893
   34   1HB   ASP  12          2HB       ASP  12  10.365   3.945  -1.664
   35    H    ASP  13           H        ASP  13  14.641   3.017  -2.899
   36    HA   ASP  13           HA       ASP  13  15.313   0.315  -2.285
   37   2HB   ASP  13          1HB       ASP  13  17.182   2.678  -2.102
   38   1HB   ASP  13          2HB       ASP  13  16.520   2.179  -3.661
   39    H    HIS  14           H        HIS  14  14.891   3.211  -0.404
   40    HA   HIS  14           HA       HIS  14  16.338   2.464   1.949
   41   2HB   HIS  14          1HB       HIS  14  13.854   4.126   2.065
   42   1HB   HIS  14          2HB       HIS  14  15.145   4.695   1.007
   43    HD1  HIS  14          1HD       HIS  14  14.277   4.153   4.610
   44    HD2  HIS  14          2HD       HIS  14  17.550   5.455   2.379
   45    HE1  HIS  14          1HE       HIS  14  15.904   5.181   6.257
   46    H    LEU  15           H        LEU  15  13.112   1.762   0.735
   47    HA   LEU  15           HA       LEU  15  12.153   0.561   3.225
   48   1HB   LEU  15          1HB       LEU  15  11.134   1.547   0.761
   49   2HB   LEU  15          2HB       LEU  15  10.208   0.955   2.130
   50    HG   LEU  15           HG       LEU  15  11.344  -0.968   0.106
   51   1HD1  LEU  15          1HD1      LEU  15   8.968  -1.948   0.928
   52   2HD1  LEU  15          2HD1      LEU  15   9.363  -0.960   2.332
   53   3HD1  LEU  15          3HD1      LEU  15  10.463  -2.237   1.817
   54   1HD2  LEU  15          1HD2      LEU  15   9.015  -0.827  -0.942
   55   2HD2  LEU  15          2HD2      LEU  15  10.093   0.528  -1.275
   56   3HD2  LEU  15          3HD2      LEU  15   8.818   0.691  -0.065
   57    H    LEU  16           H        LEU  16  13.593  -0.487   0.171
   58    HA   LEU  16           HA       LEU  16  13.276  -3.305   0.456
   59   2HB   LEU  16          1HB       LEU  16  15.562  -3.065  -0.955
   60   1HB   LEU  16          2HB       LEU  16  14.984  -1.400  -1.062
   61    HG   LEU  16           HG       LEU  16  13.052  -3.623  -1.524
   62   1HD1  LEU  16          1HD1      LEU  16  13.410  -0.950  -2.886
   63   2HD1  LEU  16          2HD1      LEU  16  12.485  -1.172  -1.399
   64   3HD1  LEU  16          3HD1      LEU  16  11.972  -1.974  -2.885
   65   1HD2  LEU  16          1HD2      LEU  16  14.537  -2.579  -3.890
   66   2HD2  LEU  16          2HD2      LEU  16  13.806  -4.165  -3.633
   67   3HD2  LEU  16          3HD2      LEU  16  15.361  -3.780  -2.895
   68    H    GLU  17           H        GLU  17  15.853  -1.062   1.451
   69    HA   GLU  17           HA       GLU  17  17.718  -2.924   2.506
   70   1HB   GLU  17          1HB       GLU  17  17.426  -0.178   2.273
   71   2HB   GLU  17          2HB       GLU  17  18.782  -0.990   3.050
   72   2HG   GLU  17          1HG       GLU  17  17.658  -0.853   5.220
   73   1HG   GLU  17          2HG       GLU  17  16.243  -0.122   4.464
   74    H    LYS  18           H        LYS  18  14.618  -1.905   3.761
   75    HA   LYS  18           HA       LYS  18  15.179  -3.071   6.442
   76   2HB   LYS  18          1HB       LYS  18  12.782  -2.093   6.756
   77   1HB   LYS  18          2HB       LYS  18  13.062  -1.323   5.195
   78   2HG   LYS  18          1HG       LYS  18  15.380  -0.681   6.408
   79   1HG   LYS  18          2HG       LYS  18  14.347  -0.802   7.833
   80   2HD   LYS  18          1HD       LYS  18  12.968   0.947   7.140
   81   1HD   LYS  18          2HD       LYS  18  13.373   0.727   5.437
   82   2HE   LYS  18          1HE       LYS  18  15.159   2.140   5.588
   83   1HE   LYS  18          2HE       LYS  18  15.698   1.420   7.118
   84   1HZ   LYS  18          1HZ       LYS  18  13.884   2.588   8.237
   85   2HZ   LYS  18          2HZ       LYS  18  13.400   3.287   6.767
   86   3HZ   LYS  18          3HZ       LYS  18  14.902   3.690   7.449
   87    H    VAL  19           H        VAL  19  13.229  -3.627   3.514
   88    HA   VAL  19           HA       VAL  19  11.568  -5.698   4.696
   89    HB   VAL  19           HB       VAL  19  11.257  -4.201   2.581
   90   1HG1  VAL  19          1HG1      VAL  19  13.316  -4.893   1.436
   91   2HG1  VAL  19          2HG1      VAL  19  11.900  -5.336   0.481
   92   3HG1  VAL  19          3HG1      VAL  19  12.753  -6.564   1.417
   93   1HG2  VAL  19          1HG2      VAL  19   9.418  -5.507   2.611
   94   2HG2  VAL  19          2HG2      VAL  19  10.326  -6.824   3.361
   95   3HG2  VAL  19          3HG2      VAL  19  10.290  -6.665   1.603
   96    H    LEU  20           H        LEU  20  14.573  -5.721   2.777
   97    HA   LEU  20           HA       LEU  20  14.758  -8.583   2.510
   98   1HB   LEU  20          1HB       LEU  20  16.034  -6.836   1.203
   99   2HB   LEU  20          2HB       LEU  20  17.057  -8.110   1.859
  100    HG   LEU  20           HG       LEU  20  16.629  -5.642   3.506
  101   1HD1  LEU  20          1HD1      LEU  20  19.321  -6.476   3.425
  102   2HD1  LEU  20          2HD1      LEU  20  18.371  -7.961   3.445
  103   3HD1  LEU  20          3HD1      LEU  20  18.164  -6.763   4.723
  104   1HD2  LEU  20          1HD2      LEU  20  18.555  -5.858   1.169
  105   2HD2  LEU  20          2HD2      LEU  20  18.506  -4.538   2.337
  106   3HD2  LEU  20          3HD2      LEU  20  17.148  -4.797   1.241
  107    H    GLU  21           H        GLU  21  15.386  -6.318   5.074
  108    HA   GLU  21           HA       GLU  21  17.028  -8.034   6.716
  109   2HB   GLU  21          1HB       GLU  21  15.870  -6.251   8.412
  110   1HB   GLU  21          2HB       GLU  21  15.591  -5.443   6.872
  111   2HG   GLU  21          1HG       GLU  21  17.935  -5.406   6.369
  112   1HG   GLU  21          2HG       GLU  21  18.303  -6.508   7.696
  113    H    LEU  22           H        LEU  22  13.543  -7.448   6.301
  114    HA   LEU  22           HA       LEU  22  12.724  -8.986   8.643
  115   2HB   LEU  22          1HB       LEU  22  10.575  -8.930   6.940
  116   1HB   LEU  22          2HB       LEU  22  11.529  -7.591   6.309
  117    HG   LEU  22           HG       LEU  22   9.920  -6.847   8.046
  118   1HD1  LEU  22          1HD1      LEU  22  11.060  -9.137   9.455
  119   2HD1  LEU  22          2HD1      LEU  22   9.557  -8.267   9.759
  120   3HD1  LEU  22          3HD1      LEU  22  11.071  -7.674  10.440
  121   1HD2  LEU  22          1HD2      LEU  22  11.922  -5.528   7.816
  122   2HD2  LEU  22          2HD2      LEU  22  12.863  -6.689   8.753
  123   3HD2  LEU  22          3HD2      LEU  22  11.621  -5.717   9.541
  124    H    ASN  23           H        ASN  23  13.523  -9.695   5.302
  125    HA   ASN  23           HA       ASN  23  12.367 -12.401   5.323
  126   2HB   ASN  23          1HB       ASN  23  13.729 -12.451   3.126
  127   1HB   ASN  23          2HB       ASN  23  14.111 -10.764   3.468
  128   1HD2  ASN  23          1HD2      ASN  23  12.603  -9.267   2.697
  129   2HD2  ASN  23          2HD2      ASN  23  11.000  -9.632   2.278
  130    H    ALA  24           H        ALA  24  15.269 -10.924   6.443
  131    HA   ALA  24           HA       ALA  24  16.981 -13.256   6.163
  132   1HB   ALA  24          1HB       ALA  24  17.838 -10.949   6.050
  133   2HB   ALA  24          2HB       ALA  24  18.550 -11.793   7.426
  134   3HB   ALA  24          3HB       ALA  24  17.235 -10.644   7.680
  135    H    LYS  25           H        LYS  25  15.121 -11.603   8.692
  136    HA   LYS  25           HA       LYS  25  15.910 -13.524  10.778
  137   2HB   LYS  25          1HB       LYS  25  14.015 -12.112  11.937
  138   1HB   LYS  25          2HB       LYS  25  14.156 -11.092  10.507
  139   1HG   LYS  25          1HG       LYS  25  16.786 -11.695  11.442
  140   2HG   LYS  25          2HG       LYS  25  15.827 -11.138  12.812
  141   2HD   LYS  25          1HD       LYS  25  15.963  -9.017  12.063
  142   1HD   LYS  25          2HD       LYS  25  15.219  -9.497  10.538
  143   2HE   LYS  25          1HE       LYS  25  17.413 -10.122   9.630
  144   1HE   LYS  25          2HE       LYS  25  18.183  -9.754  11.185
  145   1HZ   LYS  25          1HZ       LYS  25  18.234  -7.893   9.531
  146   2HZ   LYS  25          2HZ       LYS  25  17.495  -7.489  11.006
  147   3HZ   LYS  25          3HZ       LYS  25  16.544  -7.811   9.635
  148    H    GLY  26           H        GLY  26  13.421 -13.145   8.393
  149   2HA   GLY  26          1HA       GLY  26  12.081 -15.603   9.347
  150   1HA   GLY  26          2HA       GLY  26  11.829 -14.826   7.782
  151    H    GLU  27           H        GLU  27  11.851 -12.305   9.895
  152    HA   GLU  27           HA       GLU  27   9.132 -12.596  10.994
  153   2HB   GLU  27          1HB       GLU  27   9.711 -10.196  11.731
  154   1HB   GLU  27          2HB       GLU  27  11.292 -10.479  11.003
  155   2HG   GLU  27          1HG       GLU  27  11.547 -12.501  12.450
  156   1HG   GLU  27          2HG       GLU  27  10.012 -12.104  13.225
  157    H    LYS  28           H        LYS  28   7.321 -11.355  10.315
  158    HA   LYS  28           HA       LYS  28   7.607  -9.999   7.654
  159   2HB   LYS  28          1HB       LYS  28   5.088 -10.750   7.597
  160   1HB   LYS  28          2HB       LYS  28   5.573 -11.849   8.885
  161   2HG   LYS  28          1HG       LYS  28   7.191 -12.920   7.483
  162   1HG   LYS  28          2HG       LYS  28   7.066 -11.657   6.257
  163   2HD   LYS  28          1HD       LYS  28   4.866 -12.358   5.632
  164   1HD   LYS  28          2HD       LYS  28   4.721 -13.400   7.048
  165   2HE   LYS  28          1HE       LYS  28   7.056 -14.273   5.720
  166   1HE   LYS  28          2HE       LYS  28   5.849 -14.020   4.446
  167   1HZ   LYS  28          1HZ       LYS  28   5.439 -15.529   6.984
  168   2HZ   LYS  28          2HZ       LYS  28   5.614 -16.219   5.441
  169   3HZ   LYS  28          3HZ       LYS  28   4.253 -15.267   5.799
  170    H    ARG  29           H        ARG  29   7.843  -7.873   8.538
  171    HA   ARG  29           HA       ARG  29   5.521  -6.868  10.154
  172   2HB   ARG  29          1HB       ARG  29   8.045  -5.330  10.088
  173   1HB   ARG  29          2HB       ARG  29   8.193  -6.945  10.771
  174   2HG   ARG  29          1HG       ARG  29   6.566  -6.501  12.449
  175   1HG   ARG  29          2HG       ARG  29   6.005  -5.046  11.625
  176   2HD   ARG  29          1HD       ARG  29   7.978  -3.834  12.208
  177   1HD   ARG  29          2HD       ARG  29   8.846  -5.318  12.655
  178    HE   ARG  29           HE       ARG  29   6.785  -5.453  14.383
  179   1HH1  ARG  29          1HH1      ARG  29   9.232  -4.403  15.566
  180   2HH1  ARG  29          2HH1      ARG  29   8.791  -2.809  16.082
  181   1HH2  ARG  29          1HH2      ARG  29   5.943  -2.669  14.094
  182   2HH2  ARG  29          2HH2      ARG  29   6.924  -1.826  15.246
  183    H    LEU  30           H        LEU  30   6.201  -4.122   9.808
  184    HA   LEU  30           HA       LEU  30   5.479  -3.738   6.937
  185   1HB   LEU  30          1HB       LEU  30   4.245  -3.017   9.345
  186   2HB   LEU  30          2HB       LEU  30   3.827  -2.409   7.752
  187    HG   LEU  30           HG       LEU  30   5.914  -0.772   8.321
  188   1HD1  LEU  30          1HD1      LEU  30   3.697   0.436   9.585
  189   2HD1  LEU  30          2HD1      LEU  30   3.037  -0.623   8.339
  190   3HD1  LEU  30          3HD1      LEU  30   4.208   0.623   7.907
  191   1HD2  LEU  30          1HD2      LEU  30   4.544  -0.915  10.984
  192   2HD2  LEU  30          2HD2      LEU  30   6.152  -0.310  10.586
  193   3HD2  LEU  30          3HD2      LEU  30   5.854  -2.047  10.650
  194    H    ILE  31           H        ILE  31   6.560  -2.123   5.743
  195    HA   ILE  31           HA       ILE  31   8.983  -0.899   7.032
  196    HB   ILE  31           HB       ILE  31   8.575  -1.944   4.203
  197   1HG2  ILE  31          1HG2      ILE  31  10.729  -1.179   3.669
  198   2HG2  ILE  31          2HG2      ILE  31  11.206  -1.063   5.363
  199   3HG2  ILE  31          3HG2      ILE  31  10.116   0.137   4.673
  200   1HG1  ILE  31          1HG1      ILE  31   9.472  -3.164   6.678
  201   2HG1  ILE  31          2HG1      ILE  31  10.763  -3.186   5.476
  202   1HD1  ILE  31          1HD1      ILE  31   7.958  -4.296   5.200
  203   2HD1  ILE  31          2HD1      ILE  31   9.478  -5.191   5.149
  204   3HD1  ILE  31          3HD1      ILE  31   9.052  -4.099   3.831
  205    H    LYS  32           H        LYS  32   8.678   1.285   7.158
  206    HA   LYS  32           HA       LYS  32   6.653   2.639   5.530
  207   2HB   LYS  32          1HB       LYS  32   7.590   4.611   6.916
  208   1HB   LYS  32          2HB       LYS  32   8.590   3.399   7.719
  209   1HG   LYS  32          1HG       LYS  32   5.721   2.708   7.451
  210   2HG   LYS  32          2HG       LYS  32   6.069   4.061   8.525
  211   1HD   LYS  32          1HD       LYS  32   7.561   1.436   8.708
  212   2HD   LYS  32          2HD       LYS  32   6.061   1.723   9.588
  213   2HE   LYS  32          1HE       LYS  32   7.085   3.684  10.700
  214   1HE   LYS  32          2HE       LYS  32   8.592   3.403   9.806
  215   1HZ   LYS  32          1HZ       LYS  32   8.640   2.336  11.993
  216   2HZ   LYS  32          2HZ       LYS  32   8.678   1.172  10.757
  217   3HZ   LYS  32          3HZ       LYS  32   7.240   1.457  11.616
  218    H    THR  33           H        THR  33   7.136   4.549   4.217
  219    HA   THR  33           HA       THR  33   9.933   4.738   3.164
  220    HB   THR  33           HB       THR  33   7.338   4.253   1.672
  221    HG1  THR  33          1HG       THR  33   9.842   2.928   1.770
  222   1HG2  THR  33          1HG2      THR  33   9.979   5.316   0.699
  223   2HG2  THR  33          2HG2      THR  33   8.355   5.889   0.330
  224   3HG2  THR  33          3HG2      THR  33   8.935   4.377  -0.367
  225    H    TRP  34           H        TRP  34  10.320   6.835   2.047
  226    HA   TRP  34           HA       TRP  34   8.220   8.927   2.404
  227   1HB   TRP  34          1HB       TRP  34   9.744  10.326   3.689
  228   2HB   TRP  34          2HB       TRP  34  11.044   9.154   3.493
  229    HD1  TRP  34           HD       TRP  34   7.782   9.729   5.374
  230    HE3  TRP  34          3HE       TRP  34  11.807   6.810   4.277
  231    HE1  TRP  34          1HE       TRP  34   7.642   8.042   7.321
  232    HZ3  TRP  34          3HZ       TRP  34  12.401   4.880   5.719
  233    HZ2  TRP  34          2HZ       TRP  34   9.066   5.748   8.284
  234    HH2  TRP  34           HH       TRP  34  11.034   4.343   7.718
  235    H    SER  35           H        SER  35   9.353   7.753  -0.035
  236    HA   SER  35           HA       SER  35  11.178   9.880  -1.049
  237   2HB   SER  35          1HB       SER  35  11.159   8.194  -3.043
  238   1HB   SER  35          2HB       SER  35  10.348   7.116  -1.910
  239    HG   SER  35           HG       SER  35  12.948   7.793  -2.037
  240    H    ARG  36           H        ARG  36   9.330   8.427  -3.544
  241    HA   ARG  36           HA       ARG  36   7.224  10.520  -3.533
  242   2HB   ARG  36          1HB       ARG  36   8.232  10.763  -6.083
  243   1HB   ARG  36          2HB       ARG  36   9.702  10.498  -5.144
  244   1HG   ARG  36          1HG       ARG  36   7.925  12.353  -3.785
  245   2HG   ARG  36          2HG       ARG  36   8.288  12.915  -5.417
  246   2HD   ARG  36          1HD       ARG  36  10.621  12.983  -4.994
  247   1HD   ARG  36          2HD       ARG  36  10.481  11.927  -3.574
  248    HE   ARG  36           HE       ARG  36   9.632  14.790  -3.703
  249   1HH1  ARG  36          1HH1      ARG  36  11.736  13.556  -1.823
  250   2HH1  ARG  36          2HH1      ARG  36  10.853  13.517  -0.334
  251   1HH2  ARG  36          1HH2      ARG  36   7.762  14.004  -1.847
  252   2HH2  ARG  36          2HH2      ARG  36   8.598  13.773  -0.347
  253    H    ARG  37           H        ARG  37   8.717   8.290  -5.937
  254    HA   ARG  37           HA       ARG  37   6.010   7.324  -6.703
  255   1HB   ARG  37          1HB       ARG  37   7.283   6.268  -8.550
  256   2HB   ARG  37          2HB       ARG  37   8.794   6.755  -7.785
  257   2HG   ARG  37          1HG       ARG  37   7.263   9.108  -7.938
  258   1HG   ARG  37          2HG       ARG  37   7.019   8.301  -9.487
  259   1HD   ARG  37          1HD       ARG  37   9.784   8.625  -8.289
  260   2HD   ARG  37          2HD       ARG  37   9.060   9.867  -9.332
  261    HE   ARG  37           HE       ARG  37   9.345   7.002 -10.198
  262   1HH1  ARG  37          1HH1      ARG  37  11.615   8.045 -11.304
  263   2HH1  ARG  37          2HH1      ARG  37  11.145   8.941 -12.709
  264   1HH2  ARG  37          1HH2      ARG  37   7.809   9.179 -11.766
  265   2HH2  ARG  37          2HH2      ARG  37   8.985   9.586 -12.971
  266    H    SER  38           H        SER  38   7.418   6.604  -4.094
  267    HA   SER  38           HA       SER  38   8.560   4.229  -3.645
  268   2HB   SER  38          1HB       SER  38   6.965   4.042  -1.703
  269   1HB   SER  38          2HB       SER  38   5.992   5.308  -2.453
  270    HG   SER  38           HG       SER  38   7.406   6.756  -1.927
  271    H    THR  39           H        THR  39   8.375   2.269  -4.629
  272    HA   THR  39           HA       THR  39   5.636   1.213  -5.255
  273    HB   THR  39           HB       THR  39   8.268   0.976  -6.749
  274    HG1  THR  39          1HG       THR  39   7.413   2.753  -7.500
  275   1HG2  THR  39          1HG2      THR  39   7.338  -1.124  -7.154
  276   2HG2  THR  39          2HG2      THR  39   6.610  -0.177  -8.450
  277   3HG2  THR  39          3HG2      THR  39   5.683  -0.536  -6.993
  278    H    ILE  40           H        ILE  40   5.471  -1.161  -5.161
  279    HA   ILE  40           HA       ILE  40   7.079  -2.300  -2.940
  280    HB   ILE  40           HB       ILE  40   4.755  -3.375  -4.577
  281   1HG2  ILE  40          1HG2      ILE  40   4.439  -4.782  -2.483
  282   2HG2  ILE  40          2HG2      ILE  40   6.051  -4.260  -1.996
  283   3HG2  ILE  40          3HG2      ILE  40   5.838  -5.199  -3.470
  284   1HG1  ILE  40          1HG1      ILE  40   4.960  -1.576  -2.193
  285   2HG1  ILE  40          2HG1      ILE  40   3.661  -2.769  -2.204
  286   1HD1  ILE  40          1HD1      ILE  40   4.075  -0.392  -3.949
  287   2HD1  ILE  40          2HD1      ILE  40   2.579  -1.080  -3.324
  288   3HD1  ILE  40          3HD1      ILE  40   3.381  -1.826  -4.709
  289    H    VAL  41           H        VAL  41   7.842  -4.683  -3.237
  290    HA   VAL  41           HA       VAL  41   8.708  -5.274  -6.049
  291    HB   VAL  41           HB       VAL  41  10.894  -5.985  -4.445
  292   1HG1  VAL  41          1HG1      VAL  41  12.075  -4.450  -5.808
  293   2HG1  VAL  41          2HG1      VAL  41  10.690  -3.368  -5.947
  294   3HG1  VAL  41          3HG1      VAL  41  10.688  -4.916  -6.791
  295   1HG2  VAL  41          1HG2      VAL  41  10.267  -3.098  -3.816
  296   2HG2  VAL  41          2HG2      VAL  41  11.450  -4.164  -3.058
  297   3HG2  VAL  41          3HG2      VAL  41   9.733  -4.382  -2.738
  298    HA   PRO  42           HA       PRO  42   8.022  -9.486  -5.255
  299   2HB   PRO  42          1HB       PRO  42   9.160 -10.012  -7.176
  300   1HB   PRO  42          2HB       PRO  42  10.335 -10.709  -6.045
  301   1HG   PRO  42          1HG       PRO  42  11.064  -8.870  -7.799
  302   2HG   PRO  42          2HG       PRO  42  11.707  -8.856  -6.145
  303   2HD   PRO  42          1HD       PRO  42   9.580  -7.152  -7.383
  304   1HD   PRO  42          2HD       PRO  42  10.866  -6.710  -6.237
  305    H    GLU  43           H        GLU  43  11.030  -8.238  -3.882
  306    HA   GLU  43           HA       GLU  43  11.392 -10.439  -2.011
  307   1HB   GLU  43          1HB       GLU  43  13.190  -8.951  -2.977
  308   2HB   GLU  43          2HB       GLU  43  13.240  -9.086  -1.221
  309   2HG   GLU  43          1HG       GLU  43  12.057  -6.942  -1.003
  310   1HG   GLU  43          2HG       GLU  43  11.934  -6.815  -2.758
  311    H    MET  44           H        MET  44   9.002  -8.184  -2.129
  312    HA   MET  44           HA       MET  44   8.925  -7.732   0.817
  313   1HB   MET  44          1HB       MET  44   7.522  -5.825   0.220
  314   2HB   MET  44          2HB       MET  44   7.539  -6.325  -1.470
  315   2HG   MET  44          1HG       MET  44   9.793  -5.774  -1.736
  316   1HG   MET  44          2HG       MET  44  10.126  -5.884  -0.011
  317   1HE   MET  44          1HE       MET  44  11.202  -3.215   0.452
  318   2HE   MET  44          2HE       MET  44  10.973  -2.360  -1.070
  319   3HE   MET  44          3HE       MET  44  11.444  -4.056  -1.084
  320    H    VAL  45           H        VAL  45   7.628  -9.755  -1.493
  321    HA   VAL  45           HA       VAL  45   4.919  -9.966  -1.407
  322    HB   VAL  45           HB       VAL  45   6.241 -11.439  -2.683
  323   1HG1  VAL  45          1HG1      VAL  45   7.557 -12.125  -0.055
  324   2HG1  VAL  45          2HG1      VAL  45   8.306 -11.521  -1.536
  325   3HG1  VAL  45          3HG1      VAL  45   7.712 -13.181  -1.459
  326   1HG2  VAL  45          1HG2      VAL  45   5.237 -13.515  -2.321
  327   2HG2  VAL  45          2HG2      VAL  45   4.155 -12.443  -1.435
  328   3HG2  VAL  45          3HG2      VAL  45   5.365 -13.385  -0.567
  329    H    GLY  46           H        GLY  46   6.586 -10.011   1.599
  330   2HA   GLY  46          1HA       GLY  46   5.771 -11.761   3.360
  331   1HA   GLY  46          2HA       GLY  46   4.178 -11.191   2.871
  332    H    HIS  47           H        HIS  47   4.990  -8.371   2.568
  333    HA   HIS  47           HA       HIS  47   5.104  -7.676   5.467
  334   1HB   HIS  47          1HB       HIS  47   6.945  -6.193   5.178
  335   2HB   HIS  47          2HB       HIS  47   6.815  -6.252   3.425
  336    HD1  HIS  47          1HD       HIS  47   8.052  -8.258   6.365
  337    HD2  HIS  47          2HD       HIS  47   8.038  -8.464   2.209
  338    HE1  HIS  47          1HE       HIS  47   9.633 -10.137   5.740
  339    H    THR  48           H        THR  48   4.230  -5.601   5.947
  340    HA   THR  48           HA       THR  48   2.435  -4.490   3.843
  341    HB   THR  48           HB       THR  48   2.274  -3.471   6.614
  342    HG1  THR  48          1HG       THR  48   2.503  -5.338   7.524
  343   1HG2  THR  48          1HG2      THR  48   0.599  -3.472   4.559
  344   2HG2  THR  48          2HG2      THR  48   0.001  -3.551   6.215
  345   3HG2  THR  48          3HG2      THR  48   0.116  -5.022   5.249
  346    H    ILE  49           H        ILE  49   4.025  -3.239   2.726
  347    HA   ILE  49           HA       ILE  49   5.760  -1.428   4.275
  348    HB   ILE  49           HB       ILE  49   5.409  -2.191   1.379
  349   1HG2  ILE  49          1HG2      ILE  49   6.021   0.266   1.620
  350   2HG2  ILE  49          2HG2      ILE  49   7.213  -0.716   0.769
  351   3HG2  ILE  49          3HG2      ILE  49   7.485  -0.259   2.450
  352   2HG1  ILE  49          1HG1      ILE  49   6.856  -3.191   3.597
  353   1HG1  ILE  49          2HG1      ILE  49   8.043  -2.438   2.536
  354   1HD1  ILE  49          1HD1      ILE  49   6.164  -4.709   1.965
  355   2HD1  ILE  49          2HD1      ILE  49   7.901  -4.607   1.672
  356   3HD1  ILE  49          3HD1      ILE  49   6.779  -3.719   0.641
  357    H    ALA  50           H        ALA  50   5.104   0.563   4.867
  358    HA   ALA  50           HA       ALA  50   2.718   1.771   3.736
  359   1HB   ALA  50          1HB       ALA  50   4.820   2.765   5.664
  360   2HB   ALA  50          2HB       ALA  50   3.283   2.006   6.082
  361   3HB   ALA  50          3HB       ALA  50   3.302   3.601   5.323
  362    H    VAL  51           H        VAL  51   3.537   1.712   1.522
  363    HA   VAL  51           HA       VAL  51   5.780   3.114   0.517
  364    HB   VAL  51           HB       VAL  51   4.485   3.104  -1.595
  365   1HG1  VAL  51          1HG1      VAL  51   5.418   0.957  -0.356
  366   2HG1  VAL  51          2HG1      VAL  51   4.456   0.798  -1.825
  367   3HG1  VAL  51          3HG1      VAL  51   3.707   0.545  -0.249
  368   1HG2  VAL  51          1HG2      VAL  51   2.224   2.788   0.334
  369   2HG2  VAL  51          2HG2      VAL  51   2.099   1.950  -1.212
  370   3HG2  VAL  51          3HG2      VAL  51   2.294   3.703  -1.173
  371    H    TYR  52           H        TYR  52   6.218   5.280   0.282
  372    HA   TYR  52           HA       TYR  52   4.338   7.252   1.335
  373   2HB   TYR  52          1HB       TYR  52   6.919   7.684  -0.202
  374   1HB   TYR  52          2HB       TYR  52   6.885   7.261   1.507
  375    HD1  TYR  52          1HD       TYR  52   4.816   8.754   2.726
  376    HE1  TYR  52          1HE       TYR  52   4.459  11.132   3.321
  377    HE2  TYR  52          2HE       TYR  52   7.006  12.324   0.075
  378    HD2  TYR  52          2HD       TYR  52   7.362   9.942  -0.516
  379    HH   TYR  52           HH       TYR  52   6.200  13.466   2.683
  380    H    ASN  53           H        ASN  53   2.539   7.553   0.034
  381    HA   ASN  53           HA       ASN  53   2.568   7.415  -2.860
  382   2HB   ASN  53          1HB       ASN  53   0.668   8.500  -0.761
  383   1HB   ASN  53          2HB       ASN  53   0.580   6.941  -1.578
  384   1HD2  ASN  53          1HD2      ASN  53  -0.305  10.301  -1.792
  385   2HD2  ASN  53          2HD2      ASN  53  -1.048  10.220  -3.318
  386    H    GLY  54           H        GLY  54   3.932   9.698  -0.860
  387   2HA   GLY  54          1HA       GLY  54   3.457  11.931  -2.789
  388   1HA   GLY  54          2HA       GLY  54   5.043  11.612  -2.074
  389    H    LYS  55           H        LYS  55   2.194  11.076  -0.181
  390    HA   LYS  55           HA       LYS  55   2.917  13.369   1.577
  391   2HB   LYS  55          1HB       LYS  55   1.149  14.343   0.401
  392   1HB   LYS  55          2HB       LYS  55   0.305  13.604   1.758
  393   2HG   LYS  55          1HG       LYS  55  -1.006  12.711   0.123
  394   1HG   LYS  55          2HG       LYS  55   0.293  11.525   0.009
  395   2HD   LYS  55          1HD       LYS  55   1.006  12.325  -2.003
  396   1HD   LYS  55          2HD       LYS  55   0.747  14.005  -1.535
  397   2HE   LYS  55          1HE       LYS  55  -1.559  13.922  -2.106
  398   1HE   LYS  55          2HE       LYS  55  -1.576  12.147  -2.115
  399   1HZ   LYS  55          1HZ       LYS  55  -0.048  13.912  -3.969
  400   2HZ   LYS  55          2HZ       LYS  55  -1.428  13.006  -4.370
  401   3HZ   LYS  55          3HZ       LYS  55   0.020  12.217  -3.962
  402    H    GLN  56           H        GLN  56   1.365  10.211   1.189
  403    HA   GLN  56           HA       GLN  56   1.363   9.905   4.170
  404   1HB   GLN  56          1HB       GLN  56  -0.753  10.093   2.360
  405   2HB   GLN  56          2HB       GLN  56  -0.853   9.581   4.040
  406   1HG   GLN  56          1HG       GLN  56   0.043   7.381   2.399
  407   2HG   GLN  56          2HG       GLN  56  -1.442   8.053   1.742
  408   1HE2  GLN  56          1HE2      GLN  56  -0.062   7.092   4.948
  409   2HE2  GLN  56          2HE2      GLN  56  -1.523   6.482   5.553
  410    H    HIS  57           H        HIS  57   1.690   7.774   4.963
  411    HA   HIS  57           HA       HIS  57   3.237   5.981   3.148
  412   1HB   HIS  57          1HB       HIS  57   4.284   5.240   5.134
  413   2HB   HIS  57          2HB       HIS  57   2.924   5.709   6.141
  414    HD1  HIS  57          1HD       HIS  57   3.195   7.852   7.372
  415    HD2  HIS  57          2HD       HIS  57   5.655   7.698   4.014
  416    HE1  HIS  57          1HE       HIS  57   4.579   9.972   7.402
  417    H    VAL  58           H        VAL  58   1.692   4.615   2.163
  418    HA   VAL  58           HA       VAL  58  -0.584   3.585   3.775
  419    HB   VAL  58           HB       VAL  58   0.183   3.177   0.861
  420   1HG1  VAL  58          1HG1      VAL  58  -2.069   2.436   0.541
  421   2HG1  VAL  58          2HG1      VAL  58  -2.541   2.956   2.159
  422   3HG1  VAL  58          3HG1      VAL  58  -1.471   1.569   1.957
  423   1HG2  VAL  58          1HG2      VAL  58  -1.522   4.959   0.435
  424   2HG2  VAL  58          2HG2      VAL  58  -0.121   5.560   1.323
  425   3HG2  VAL  58          3HG2      VAL  58  -1.630   5.229   2.175
  426    HA   PRO  59           HA       PRO  59   2.269   0.088   4.533
  427   2HB   PRO  59          1HB       PRO  59   1.914   0.355   6.808
  428   1HB   PRO  59          2HB       PRO  59   0.766  -0.979   6.568
  429   1HG   PRO  59          1HG       PRO  59  -0.017   1.346   7.593
  430   2HG   PRO  59          2HG       PRO  59  -1.049   0.450   6.464
  431   2HD   PRO  59          1HD       PRO  59   0.633   2.879   5.995
  432   1HD   PRO  59          2HD       PRO  59  -0.969   2.471   5.342
  433    H    VAL  60           H        VAL  60   1.709  -0.801   2.531
  434    HA   VAL  60           HA       VAL  60  -0.789  -2.416   2.360
  435    HB   VAL  60           HB       VAL  60  -0.209  -2.502  -0.023
  436   1HG1  VAL  60          1HG1      VAL  60  -1.091  -0.310   1.387
  437   2HG1  VAL  60          2HG1      VAL  60  -1.121  -0.460  -0.369
  438   3HG1  VAL  60          3HG1      VAL  60   0.222   0.363   0.423
  439   1HG2  VAL  60          1HG2      VAL  60   2.231  -2.541   0.147
  440   2HG2  VAL  60          2HG2      VAL  60   2.224  -0.894   0.779
  441   3HG2  VAL  60          3HG2      VAL  60   1.717  -1.200  -0.878
  442    H    TYR  61           H        TYR  61  -0.694  -4.614   2.612
  443    HA   TYR  61           HA       TYR  61   1.825  -5.992   3.022
  444   2HB   TYR  61          1HB       TYR  61  -0.751  -7.362   2.281
  445   1HB   TYR  61          2HB       TYR  61  -0.645  -6.501   3.818
  446    HD1  TYR  61          1HD       TYR  61   1.140  -9.056   1.734
  447    HE1  TYR  61          1HE       TYR  61   2.373 -10.960   2.709
  448    HE2  TYR  61          2HE       TYR  61   1.625  -9.421   6.651
  449    HD2  TYR  61          2HD       TYR  61   0.380  -7.519   5.672
  450    HH   TYR  61           HH       TYR  61   2.154 -12.100   5.425
  451    H    ILE  62           H        ILE  62   3.186  -6.243   1.322
  452    HA   ILE  62           HA       ILE  62   2.710  -5.952  -1.415
  453    HB   ILE  62           HB       ILE  62   4.609  -7.862  -0.060
  454   1HG2  ILE  62          1HG2      ILE  62   6.027  -7.254  -2.109
  455   2HG2  ILE  62          2HG2      ILE  62   4.529  -6.632  -2.798
  456   3HG2  ILE  62          3HG2      ILE  62   4.657  -8.335  -2.364
  457   1HG1  ILE  62          1HG1      ILE  62   5.987  -5.525  -0.842
  458   2HG1  ILE  62          2HG1      ILE  62   5.681  -6.077   0.794
  459   1HD1  ILE  62          1HD1      ILE  62   4.017  -4.572   1.148
  460   2HD1  ILE  62          2HD1      ILE  62   3.456  -4.618  -0.525
  461   3HD1  ILE  62          3HD1      ILE  62   4.880  -3.675  -0.098
  462    H    THR  63           H        THR  63   2.841  -9.051   0.353
  463    HA   THR  63           HA       THR  63   1.947 -11.160  -0.118
  464    HB   THR  63           HB       THR  63   0.093  -9.788  -2.068
  465    HG1  THR  63          1HG       THR  63  -0.458  -8.489  -0.529
  466   1HG2  THR  63          1HG2      THR  63  -0.291 -12.129  -1.856
  467   2HG2  THR  63          2HG2      THR  63  -1.525 -11.356  -0.861
  468   3HG2  THR  63          3HG2      THR  63  -0.103 -12.073  -0.103
  469    H    GLU  64           H        GLU  64   1.630 -12.702  -2.068
  470    HA   GLU  64           HA       GLU  64   3.877 -12.290  -3.904
  471   2HB   GLU  64          1HB       GLU  64   3.411 -14.471  -2.898
  472   1HB   GLU  64          2HB       GLU  64   3.215 -14.586  -4.646
  473   1HG   GLU  64          1HG       GLU  64   0.701 -13.797  -3.538
  474   2HG   GLU  64          2HG       GLU  64   1.291 -15.178  -2.614
  475    H    ASN  65           H        ASN  65   0.749 -11.098  -4.065
  476    HA   ASN  65           HA       ASN  65   0.862 -11.095  -7.047
  477   1HB   ASN  65          1HB       ASN  65  -0.547 -12.955  -6.033
  478   2HB   ASN  65          2HB       ASN  65  -1.373 -11.916  -7.196
  479   1HD2  ASN  65          1HD2      ASN  65  -1.083 -12.664  -3.725
  480   2HD2  ASN  65          2HD2      ASN  65  -2.498 -11.852  -3.259
  481    H    MET  66           H        MET  66   0.611  -9.141  -4.304
  482    HA   MET  66           HA       MET  66  -1.259  -7.208  -5.619
  483   1HB   MET  66          1HB       MET  66  -1.257  -6.134  -3.423
  484   2HB   MET  66          2HB       MET  66   0.007  -7.223  -2.871
  485   2HG   MET  66          1HG       MET  66  -2.040  -8.140  -2.052
  486   1HG   MET  66          2HG       MET  66  -1.598  -9.138  -3.437
  487   1HE   MET  66          1HE       MET  66  -3.986  -9.975  -3.234
  488   2HE   MET  66          2HE       MET  66  -5.448  -9.070  -3.618
  489   3HE   MET  66          3HE       MET  66  -4.617  -8.781  -2.092
  490    H    VAL  67           H        VAL  67   2.105  -7.808  -5.180
  491    HA   VAL  67           HA       VAL  67   3.094  -5.079  -5.234
  492    HB   VAL  67           HB       VAL  67   4.277  -7.088  -4.351
  493   1HG1  VAL  67          1HG1      VAL  67   5.421  -8.505  -6.188
  494   2HG1  VAL  67          2HG1      VAL  67   4.182  -7.863  -7.267
  495   3HG1  VAL  67          3HG1      VAL  67   3.716  -8.822  -5.862
  496   1HG2  VAL  67          1HG2      VAL  67   6.385  -6.326  -4.964
  497   2HG2  VAL  67          2HG2      VAL  67   5.394  -4.950  -5.433
  498   3HG2  VAL  67          3HG2      VAL  67   5.930  -6.106  -6.651
  499    H    GLY  68           H        GLY  68   4.552  -4.313  -7.044
  500   2HA   GLY  68          1HA       GLY  68   3.567  -5.158  -9.733
  501   1HA   GLY  68          2HA       GLY  68   5.190  -4.551  -9.421
  502    H    HIS  69           H        HIS  69   2.998  -2.681  -7.610
  503    HA   HIS  69           HA       HIS  69   2.931  -0.672  -9.830
  504   2HB   HIS  69          1HB       HIS  69   0.722  -0.028  -8.791
  505   1HB   HIS  69          2HB       HIS  69   0.842  -1.441  -7.759
  506    HD1  HIS  69          1HD       HIS  69  -0.706  -0.472 -10.777
  507    HD2  HIS  69          2HD       HIS  69   1.469  -3.860  -9.673
  508    HE1  HIS  69          1HE       HIS  69  -1.305  -2.282 -12.443
  509    H    LYS  70           H        LYS  70   1.778  -0.289  -6.534
  510    HA   LYS  70           HA       LYS  70   4.028   0.967  -5.347
  511   1HB   LYS  70          1HB       LYS  70   3.444   2.477  -7.364
  512   2HB   LYS  70          2HB       LYS  70   3.654   3.269  -5.806
  513   2HG   LYS  70          1HG       LYS  70   1.635   4.178  -6.552
  514   1HG   LYS  70          2HG       LYS  70   1.108   2.843  -5.536
  515   2HD   LYS  70          1HD       LYS  70  -0.155   2.822  -7.625
  516   1HD   LYS  70          2HD       LYS  70   0.889   1.407  -7.542
  517   2HE   LYS  70          1HE       LYS  70   2.445   2.344  -9.104
  518   1HE   LYS  70          2HE       LYS  70   1.744   3.966  -8.939
  519   1HZ   LYS  70          1HZ       LYS  70   0.338   1.557  -9.992
  520   2HZ   LYS  70          2HZ       LYS  70   0.934   2.835 -10.939
  521   3HZ   LYS  70          3HZ       LYS  70  -0.335   3.107  -9.844
  522    H    LEU  71           H        LEU  71   0.617   0.698  -5.656
  523    HA   LEU  71           HA       LEU  71  -0.051   0.064  -3.005
  524   1HB   LEU  71          1HB       LEU  71   0.834   2.438  -2.679
  525   2HB   LEU  71          2HB       LEU  71  -0.787   2.155  -2.062
  526    HG   LEU  71           HG       LEU  71  -0.657   3.037  -4.887
  527   1HD1  LEU  71          1HD1      LEU  71  -2.745   2.706  -3.507
  528   2HD1  LEU  71          2HD1      LEU  71  -2.600   4.316  -4.213
  529   3HD1  LEU  71          3HD1      LEU  71  -2.231   4.066  -2.507
  530   1HD2  LEU  71          1HD2      LEU  71   1.154   4.391  -3.836
  531   2HD2  LEU  71          2HD2      LEU  71   0.006   4.940  -2.615
  532   3HD2  LEU  71          3HD2      LEU  71  -0.227   5.381  -4.306
  533    H    GLY  72           H        GLY  72  -0.955   1.240  -6.170
  534   2HA   GLY  72          1HA       GLY  72  -2.965   1.226  -7.352
  535   1HA   GLY  72          2HA       GLY  72  -3.803   1.352  -5.808
  536    H    GLU  73           H        GLU  73  -1.600  -1.306  -6.134
  537    HA   GLU  73           HA       GLU  73  -3.644  -3.191  -7.141
  538   2HB   GLU  73          1HB       GLU  73  -1.653  -4.775  -6.442
  539   1HB   GLU  73          2HB       GLU  73  -0.760  -3.262  -6.292
  540   2HG   GLU  73          1HG       GLU  73  -0.427  -4.065  -8.532
  541   1HG   GLU  73          2HG       GLU  73  -1.534  -2.694  -8.634
  542    H    PHE  74           H        PHE  74  -2.415  -2.002  -4.138
  543    HA   PHE  74           HA       PHE  74  -3.633  -4.190  -2.545
  544   1HB   PHE  74          1HB       PHE  74  -2.376  -3.236  -0.740
  545   2HB   PHE  74          2HB       PHE  74  -2.194  -1.702  -1.586
  546    HD1  PHE  74          1HD       PHE  74  -0.606  -1.472  -3.463
  547    HE1  PHE  74          1HE       PHE  74   1.545  -2.237  -4.405
  548    HZ   PHE  74           HZ       PHE  74   2.448  -4.457  -3.786
  549    HE2  PHE  74          2HE       PHE  74   1.194  -5.911  -2.228
  550    HD2  PHE  74          2HD       PHE  74  -0.966  -5.157  -1.295
  551    H    ALA  75           H        ALA  75  -4.208  -0.919  -3.634
  552    HA   ALA  75           HA       ALA  75  -6.720  -0.836  -2.001
  553   1HB   ALA  75          1HB       ALA  75  -5.069   0.614  -0.969
  554   2HB   ALA  75          2HB       ALA  75  -6.224   1.644  -1.814
  555   3HB   ALA  75          3HB       ALA  75  -4.644   1.316  -2.530
  556    HA   PRO  76           HA       PRO  76  -7.313   0.209  -6.529
  557   2HB   PRO  76          1HB       PRO  76  -6.530  -1.753  -7.471
  558   1HB   PRO  76          2HB       PRO  76  -8.252  -2.173  -7.498
  559   1HG   PRO  76          1HG       PRO  76  -6.293  -3.578  -6.167
  560   2HG   PRO  76          2HG       PRO  76  -8.020  -3.644  -5.797
  561   2HD   PRO  76          1HD       PRO  76  -5.875  -2.564  -4.214
  562   1HD   PRO  76          2HD       PRO  76  -7.591  -2.718  -3.789
  563    H    THR  77           H        THR  77  -8.950   0.816  -4.394
  564    HA   THR  77           HA       THR  77 -11.677  -0.155  -5.194
  565    HB   THR  77           HB       THR  77 -10.891   1.211  -2.607
  566    HG1  THR  77          1HG       THR  77  -9.692  -0.495  -2.319
  567   1HG2  THR  77          1HG2      THR  77 -13.287   1.011  -3.063
  568   2HG2  THR  77          2HG2      THR  77 -12.835  -0.082  -1.755
  569   3HG2  THR  77          3HG2      THR  77 -13.102  -0.714  -3.380
  570    H    ARG  78           H        ARG  78 -10.387   1.917  -6.712
  571    HA   ARG  78           HA       ARG  78 -12.320   4.120  -6.290
  572   2HB   ARG  78          1HB       ARG  78  -9.369   4.732  -6.473
  573   1HB   ARG  78          2HB       ARG  78 -10.133   4.417  -4.915
  574   2HG   ARG  78          1HG       ARG  78 -11.888   6.192  -5.716
  575   1HG   ARG  78          2HG       ARG  78 -10.622   6.676  -6.844
  576   2HD   ARG  78          1HD       ARG  78  -9.986   8.010  -5.064
  577   1HD   ARG  78          2HD       ARG  78  -9.173   6.523  -4.538
  578    HE   ARG  78           HE       ARG  78 -11.848   7.464  -3.576
  579   1HH1  ARG  78          1HH1      ARG  78  -9.579   7.329  -1.665
  580   2HH1  ARG  78          2HH1      ARG  78  -9.807   5.786  -0.912
  581   1HH2  ARG  78          1HH2      ARG  78 -11.961   4.606  -3.371
  582   2HH2  ARG  78          2HH2      ARG  78 -11.158   4.241  -1.880
  583    H    THR  79           H        THR  79 -12.775   5.191  -8.238
  584    HA   THR  79           HA       THR  79 -11.601   4.007 -10.698
  585    HB   THR  79           HB       THR  79 -13.893   5.953 -10.248
  586    HG1  THR  79          1HG       THR  79 -13.853   3.139 -10.628
  587   1HG2  THR  79          1HG2      THR  79 -13.140   6.107 -12.524
  588   2HG2  THR  79          2HG2      THR  79 -14.582   5.093 -12.532
  589   3HG2  THR  79          3HG2      THR  79 -12.985   4.355 -12.654
  590    H    TYR  80           H        TYR  80 -12.215   7.270  -9.325
  591    HA   TYR  80           HA       TYR  80 -11.148   9.337  -9.715
  592   2HB   TYR  80          1HB       TYR  80  -8.645   8.258 -10.698
  593   1HB   TYR  80          2HB       TYR  80  -9.243   7.276  -9.361
  594    HD1  TYR  80          1HD       TYR  80  -8.400  10.755 -10.391
  595    HE1  TYR  80          1HE       TYR  80  -7.683  12.503  -8.785
  596    HE2  TYR  80          2HE       TYR  80  -8.509   9.840  -5.517
  597    HD2  TYR  80          2HD       TYR  80  -9.226   8.092  -7.122
  598    HH   TYR  80           HH       TYR  80  -6.711  12.145  -5.990

  No H/Q in entry =         598
  Start of MODEL   19
    1    H    GLY   8           H        GLY   8  12.683   8.340 -13.075
    2   2HA   GLY   8          1HA       GLY   8  10.998   7.005 -15.124
    3   1HA   GLY   8          2HA       GLY   8  10.436   8.202 -13.955
    4    H    VAL   9           H        VAL   9  11.414   4.822 -14.353
    5    HA   VAL   9           HA       VAL   9   9.494   3.927 -12.364
    6    HB   VAL   9           HB       VAL   9  10.471   1.704 -12.924
    7   1HG1  VAL   9          1HG1      VAL   9  10.124   3.388 -15.413
    8   2HG1  VAL   9          2HG1      VAL   9   8.778   2.881 -14.392
    9   3HG1  VAL   9          3HG1      VAL   9   9.763   1.672 -15.216
   10   1HG2  VAL   9          1HG2      VAL   9  12.655   1.643 -13.500
   11   2HG2  VAL   9          2HG2      VAL   9  12.693   3.383 -13.779
   12   3HG2  VAL   9          3HG2      VAL   9  12.179   2.295 -15.067
   13    H    PHE  10           H        PHE  10   9.859   3.407 -10.227
   14    HA   PHE  10           HA       PHE  10  12.591   3.039  -9.181
   15   2HB   PHE  10          1HB       PHE  10  10.871   5.470  -8.790
   16   1HB   PHE  10          2HB       PHE  10  12.612   5.366  -9.017
   17    HD1  PHE  10          1HD       PHE  10  14.111   4.982  -7.121
   18    HE1  PHE  10          1HE       PHE  10  14.414   5.050  -4.661
   19    HZ   PHE  10           HZ       PHE  10  12.441   5.081  -3.161
   20    HE2  PHE  10          2HE       PHE  10  10.142   5.045  -4.127
   21    HD2  PHE  10          2HD       PHE  10   9.850   4.980  -6.590
   22    H    VAL  11           H        VAL  11  12.578   2.204  -7.027
   23    HA   VAL  11           HA       VAL  11   9.921   1.481  -5.870
   24    HB   VAL  11           HB       VAL  11  10.756  -0.463  -7.114
   25   1HG1  VAL  11          1HG1      VAL  11  12.931  -1.393  -6.812
   26   2HG1  VAL  11          2HG1      VAL  11  13.251  -0.385  -5.402
   27   3HG1  VAL  11          3HG1      VAL  11  13.192   0.339  -7.009
   28   1HG2  VAL  11          1HG2      VAL  11  11.385  -1.887  -4.906
   29   2HG2  VAL  11          2HG2      VAL  11   9.739  -1.366  -5.266
   30   3HG2  VAL  11          3HG2      VAL  11  10.731  -0.444  -4.134
   31    H    ASP  12           H        ASP  12   9.888   2.233  -3.801
   32    HA   ASP  12           HA       ASP  12  11.566   3.721  -2.354
   33   2HB   ASP  12          1HB       ASP  12  10.724   2.514  -0.308
   34   1HB   ASP  12          2HB       ASP  12  10.068   1.284  -1.380
   35    H    ASP  13           H        ASP  13  13.821   3.458  -2.594
   36    HA   ASP  13           HA       ASP  13  15.201   0.961  -2.293
   37   2HB   ASP  13          1HB       ASP  13  17.099   2.822  -1.873
   38   1HB   ASP  13          2HB       ASP  13  15.832   3.874  -2.506
   39    H    HIS  14           H        HIS  14  14.021   3.420  -0.138
   40    HA   HIS  14           HA       HIS  14  15.625   2.682   2.164
   41   2HB   HIS  14          1HB       HIS  14  13.117   4.021   2.737
   42   1HB   HIS  14          2HB       HIS  14  13.872   4.736   1.309
   43    HD1  HIS  14          1HD       HIS  14  16.793   4.702   1.927
   44    HD2  HIS  14          2HD       HIS  14  13.962   5.556   4.866
   45    HE1  HIS  14          1HE       HIS  14  18.009   5.980   3.743
   46    H    LEU  15           H        LEU  15  12.692   1.505   0.690
   47    HA   LEU  15           HA       LEU  15  11.674   0.189   3.100
   48   2HB   LEU  15          1HB       LEU  15  10.775   0.941   0.493
   49   1HB   LEU  15          2HB       LEU  15   9.814   0.289   1.809
   50    HG   LEU  15           HG       LEU  15  11.371  -1.472  -0.100
   51   1HD1  LEU  15          1HD1      LEU  15  10.805  -2.924   1.573
   52   2HD1  LEU  15          2HD1      LEU  15   9.209  -2.871   0.828
   53   3HD1  LEU  15          3HD1      LEU  15   9.567  -1.847   2.218
   54   1HD2  LEU  15          1HD2      LEU  15   8.749  -0.105  -0.387
   55   2HD2  LEU  15          2HD2      LEU  15   8.778  -1.817  -0.812
   56   3HD2  LEU  15          3HD2      LEU  15   9.859  -0.687  -1.629
   57    H    LEU  16           H        LEU  16  13.513  -0.670   0.193
   58    HA   LEU  16           HA       LEU  16  13.610  -3.495   0.585
   59   2HB   LEU  16          1HB       LEU  16  15.885  -2.986  -0.741
   60   1HB   LEU  16          2HB       LEU  16  15.117  -1.404  -0.916
   61    HG   LEU  16           HG       LEU  16  13.505  -3.871  -1.418
   62   1HD1  LEU  16          1HD1      LEU  16  12.392  -2.333  -3.001
   63   2HD1  LEU  16          2HD1      LEU  16  13.575  -1.086  -2.599
   64   3HD1  LEU  16          3HD1      LEU  16  12.453  -1.668  -1.370
   65   1HD2  LEU  16          1HD2      LEU  16  15.055  -2.596  -3.656
   66   2HD2  LEU  16          2HD2      LEU  16  14.343  -4.208  -3.576
   67   3HD2  LEU  16          3HD2      LEU  16  15.819  -3.848  -2.678
   68    H    GLU  17           H        GLU  17  15.746  -0.846   1.619
   69    HA   GLU  17           HA       GLU  17  17.829  -2.351   2.817
   70   1HB   GLU  17          1HB       GLU  17  17.112   0.302   2.475
   71   2HB   GLU  17          2HB       GLU  17  18.543  -0.258   3.334
   72   2HG   GLU  17          1HG       GLU  17  17.447  -0.117   5.450
   73   1HG   GLU  17          2HG       GLU  17  15.864   0.074   4.697
   74    H    LYS  18           H        LYS  18  14.545  -1.892   3.904
   75    HA   LYS  18           HA       LYS  18  15.232  -2.960   6.616
   76   2HB   LYS  18          1HB       LYS  18  12.572  -2.277   6.638
   77   1HB   LYS  18          2HB       LYS  18  13.211  -1.149   5.441
   78   2HG   LYS  18          1HG       LYS  18  13.566   0.040   7.414
   79   1HG   LYS  18          2HG       LYS  18  15.110  -0.797   7.249
   80   1HD   LYS  18          1HD       LYS  18  12.970  -2.289   8.671
   81   2HD   LYS  18          2HD       LYS  18  13.602  -0.872   9.508
   82   2HE   LYS  18          1HE       LYS  18  15.428  -2.076  10.112
   83   1HE   LYS  18          2HE       LYS  18  15.828  -2.308   8.400
   84   1HZ   LYS  18          1HZ       LYS  18  13.841  -3.906   9.946
   85   2HZ   LYS  18          2HZ       LYS  18  15.410  -4.426   9.552
   86   3HZ   LYS  18          3HZ       LYS  18  14.271  -4.152   8.323
   87    H    VAL  19           H        VAL  19  13.516  -3.691   3.627
   88    HA   VAL  19           HA       VAL  19  11.957  -5.901   4.707
   89    HB   VAL  19           HB       VAL  19  11.739  -4.341   2.570
   90   1HG1  VAL  19          1HG1      VAL  19  12.451  -5.553   0.528
   91   2HG1  VAL  19          2HG1      VAL  19  13.249  -6.757   1.535
   92   3HG1  VAL  19          3HG1      VAL  19  13.830  -5.090   1.527
   93   1HG2  VAL  19          1HG2      VAL  19  10.854  -7.096   3.194
   94   2HG2  VAL  19          2HG2      VAL  19  10.617  -6.587   1.518
   95   3HG2  VAL  19          3HG2      VAL  19   9.892  -5.661   2.835
   96    H    LEU  20           H        LEU  20  15.082  -5.610   3.018
   97    HA   LEU  20           HA       LEU  20  15.502  -8.418   2.586
   98   1HB   LEU  20          1HB       LEU  20  16.750  -6.521   1.501
   99   2HB   LEU  20          2HB       LEU  20  17.816  -7.742   2.187
  100    HG   LEU  20           HG       LEU  20  17.047  -5.464   3.956
  101   1HD1  LEU  20          1HD1      LEU  20  18.552  -6.797   5.069
  102   2HD1  LEU  20          2HD1      LEU  20  19.717  -5.808   4.191
  103   3HD1  LEU  20          3HD1      LEU  20  19.275  -7.402   3.579
  104   1HD2  LEU  20          1HD2      LEU  20  17.575  -4.481   1.679
  105   2HD2  LEU  20          2HD2      LEU  20  19.182  -5.194   1.822
  106   3HD2  LEU  20          3HD2      LEU  20  18.658  -3.965   2.973
  107    H    GLU  21           H        GLU  21  15.872  -6.276   5.322
  108    HA   GLU  21           HA       GLU  21  17.426  -8.072   6.966
  109   2HB   GLU  21          1HB       GLU  21  15.891  -6.360   8.581
  110   1HB   GLU  21          2HB       GLU  21  16.135  -5.465   7.083
  111   2HG   GLU  21          1HG       GLU  21  18.609  -6.724   7.759
  112   1HG   GLU  21          2HG       GLU  21  18.003  -5.920   9.208
  113    H    LEU  22           H        LEU  22  13.986  -7.502   6.346
  114    HA   LEU  22           HA       LEU  22  13.059  -9.295   8.478
  115   2HB   LEU  22          1HB       LEU  22  10.864  -8.863   7.267
  116   1HB   LEU  22          2HB       LEU  22  11.776  -7.934   6.081
  117    HG   LEU  22           HG       LEU  22  12.019  -6.150   7.474
  118   1HD1  LEU  22          1HD1      LEU  22   9.596  -6.677   7.543
  119   2HD1  LEU  22          2HD1      LEU  22  10.138  -5.869   9.014
  120   3HD1  LEU  22          3HD1      LEU  22   9.856  -7.611   9.016
  121   1HD2  LEU  22          1HD2      LEU  22  12.260  -6.437  10.007
  122   2HD2  LEU  22          2HD2      LEU  22  13.556  -7.126   9.030
  123   3HD2  LEU  22          3HD2      LEU  22  12.312  -8.174   9.709
  124    H    ASN  23           H        ASN  23  13.889  -9.524   5.077
  125    HA   ASN  23           HA       ASN  23  12.676 -12.186   4.723
  126   2HB   ASN  23          1HB       ASN  23  14.160 -11.911   2.559
  127   1HB   ASN  23          2HB       ASN  23  14.341 -10.250   3.125
  128   1HD2  ASN  23          1HD2      ASN  23  12.682  -8.839   2.502
  129   2HD2  ASN  23          2HD2      ASN  23  11.143  -9.323   1.976
  130    H    ALA  24           H        ALA  24  15.554 -10.942   6.102
  131    HA   ALA  24           HA       ALA  24  17.299 -13.166   5.455
  132   1HB   ALA  24          1HB       ALA  24  18.797 -11.942   7.025
  133   2HB   ALA  24          2HB       ALA  24  17.451 -10.876   7.432
  134   3HB   ALA  24          3HB       ALA  24  18.115 -10.874   5.798
  135    H    LYS  25           H        LYS  25  15.376 -12.051   8.263
  136    HA   LYS  25           HA       LYS  25  16.089 -14.583   9.659
  137   1HB   LYS  25          1HB       LYS  25  16.199 -12.014  10.497
  138   2HB   LYS  25          2HB       LYS  25  15.965 -13.370  11.594
  139   2HG   LYS  25          1HG       LYS  25  13.462 -13.046  11.283
  140   1HG   LYS  25          2HG       LYS  25  13.844 -11.542  10.443
  141   2HD   LYS  25          1HD       LYS  25  13.946 -10.539  12.463
  142   1HD   LYS  25          2HD       LYS  25  15.386 -11.497  12.800
  143   1HE   LYS  25          1HE       LYS  25  12.718 -12.813  13.187
  144   2HE   LYS  25          2HE       LYS  25  13.254 -11.636  14.401
  145   1HZ   LYS  25          1HZ       LYS  25  15.384 -12.823  14.509
  146   2HZ   LYS  25          2HZ       LYS  25  14.812 -13.969  13.391
  147   3HZ   LYS  25          3HZ       LYS  25  14.094 -13.843  14.926
  148    H    GLY  26           H        GLY  26  13.417 -12.855   8.208
  149   2HA   GLY  26          1HA       GLY  26  11.660 -15.191   8.842
  150   1HA   GLY  26          2HA       GLY  26  11.497 -14.175   7.411
  151    H    GLU  27           H        GLU  27  11.953 -11.714   9.150
  152    HA   GLU  27           HA       GLU  27   9.689 -11.650  11.013
  153   2HB   GLU  27          1HB       GLU  27  10.445  -9.053  10.565
  154   1HB   GLU  27          2HB       GLU  27  11.908  -9.925  10.102
  155   2HG   GLU  27          1HG       GLU  27  12.119 -10.917  12.238
  156   1HG   GLU  27          2HG       GLU  27  10.453 -10.543  12.673
  157    H    LYS  28           H        LYS  28   7.609 -11.119  10.501
  158    HA   LYS  28           HA       LYS  28   7.046 -10.032   7.765
  159   2HB   LYS  28          1HB       LYS  28   4.675 -10.933   8.587
  160   1HB   LYS  28          2HB       LYS  28   5.669 -11.862   9.709
  161   2HG   LYS  28          1HG       LYS  28   6.913 -12.845   7.868
  162   1HG   LYS  28          2HG       LYS  28   6.089 -11.806   6.704
  163   2HD   LYS  28          1HD       LYS  28   4.777 -13.692   6.488
  164   1HD   LYS  28          2HD       LYS  28   3.930 -12.926   7.831
  165   2HE   LYS  28          1HE       LYS  28   4.262 -15.057   8.725
  166   1HE   LYS  28          2HE       LYS  28   5.768 -14.282   9.253
  167   1HZ   LYS  28          1HZ       LYS  28   6.816 -15.045   7.199
  168   2HZ   LYS  28          2HZ       LYS  28   5.368 -15.791   6.712
  169   3HZ   LYS  28          3HZ       LYS  28   6.206 -16.364   8.074
  170    H    ARG  29           H        ARG  29   7.814  -7.957   9.061
  171    HA   ARG  29           HA       ARG  29   5.565  -6.780  10.635
  172   2HB   ARG  29          1HB       ARG  29   8.141  -5.351  10.364
  173   1HB   ARG  29          2HB       ARG  29   8.275  -6.958  11.069
  174   1HG   ARG  29          1HG       ARG  29   6.157  -5.057  12.049
  175   2HG   ARG  29          2HG       ARG  29   7.811  -4.921  12.645
  176   1HD   ARG  29          1HD       ARG  29   6.406  -7.598  12.649
  177   2HD   ARG  29          2HD       ARG  29   6.163  -6.445  13.975
  178    HE   ARG  29           HE       ARG  29   8.928  -7.224  13.117
  179   1HH1  ARG  29          1HH1      ARG  29   8.196  -9.279  14.919
  180   2HH1  ARG  29          2HH1      ARG  29   8.445  -8.617  16.500
  181   1HH2  ARG  29          1HH2      ARG  29   8.499  -5.321  15.399
  182   2HH2  ARG  29          2HH2      ARG  29   8.617  -6.370  16.772
  183    H    LEU  30           H        LEU  30   6.549  -4.048  10.071
  184    HA   LEU  30           HA       LEU  30   5.631  -3.792   7.234
  185   1HB   LEU  30          1HB       LEU  30   4.320  -3.062   9.528
  186   2HB   LEU  30          2HB       LEU  30   4.041  -2.323   7.961
  187    HG   LEU  30           HG       LEU  30   6.260  -0.949   9.015
  188   1HD1  LEU  30          1HD1      LEU  30   3.340  -0.383   8.612
  189   2HD1  LEU  30          2HD1      LEU  30   4.730   0.270   7.744
  190   3HD1  LEU  30          3HD1      LEU  30   4.367   0.829   9.376
  191   1HD2  LEU  30          1HD2      LEU  30   5.270  -0.147  11.197
  192   2HD2  LEU  30          2HD2      LEU  30   5.844  -1.814  11.233
  193   3HD2  LEU  30          3HD2      LEU  30   4.118  -1.478  11.092
  194    H    ILE  31           H        ILE  31   6.720  -2.276   5.936
  195    HA   ILE  31           HA       ILE  31   9.168  -1.011   7.134
  196    HB   ILE  31           HB       ILE  31   8.655  -2.241   4.399
  197   1HG2  ILE  31          1HG2      ILE  31  11.393  -1.692   4.720
  198   2HG2  ILE  31          2HG2      ILE  31  10.567  -0.227   5.253
  199   3HG2  ILE  31          3HG2      ILE  31  10.274  -0.867   3.636
  200   1HG1  ILE  31          1HG1      ILE  31   9.629  -3.274   6.895
  201   2HG1  ILE  31          2HG1      ILE  31  10.957  -3.270   5.734
  202   1HD1  ILE  31          1HD1      ILE  31   9.272  -4.325   4.088
  203   2HD1  ILE  31          2HD1      ILE  31   8.267  -4.626   5.506
  204   3HD1  ILE  31          3HD1      ILE  31   9.870  -5.352   5.391
  205    H    LYS  32           H        LYS  32   8.772   1.172   7.253
  206    HA   LYS  32           HA       LYS  32   6.934   2.469   5.317
  207   2HB   LYS  32          1HB       LYS  32   7.230   4.391   6.892
  208   1HB   LYS  32          2HB       LYS  32   8.403   3.434   7.794
  209   1HG   LYS  32          1HG       LYS  32   5.918   1.968   7.339
  210   2HG   LYS  32          2HG       LYS  32   5.642   3.476   8.209
  211   2HD   LYS  32          1HD       LYS  32   7.977   2.334   9.330
  212   1HD   LYS  32          2HD       LYS  32   6.817   1.016   9.169
  213   2HE   LYS  32          1HE       LYS  32   5.151   2.250  10.438
  214   1HE   LYS  32          2HE       LYS  32   6.172   3.701  10.447
  215   1HZ   LYS  32          1HZ       LYS  32   7.853   2.494  11.657
  216   2HZ   LYS  32          2HZ       LYS  32   6.962   1.051  11.561
  217   3HZ   LYS  32          3HZ       LYS  32   6.386   2.347  12.495
  218    H    THR  33           H        THR  33   7.593   4.164   3.913
  219    HA   THR  33           HA       THR  33  10.521   4.774   3.784
  220    HB   THR  33           HB       THR  33   8.796   4.097   1.382
  221    HG1  THR  33          1HG       THR  33  10.631   2.480   2.823
  222   1HG2  THR  33          1HG2      THR  33  11.573   4.983   1.838
  223   2HG2  THR  33          2HG2      THR  33  10.573   5.114   0.392
  224   3HG2  THR  33          3HG2      THR  33  11.418   3.608   0.748
  225    H    TRP  34           H        TRP  34  10.919   6.717   2.345
  226    HA   TRP  34           HA       TRP  34   8.567   8.556   2.132
  227   1HB   TRP  34          1HB       TRP  34   9.905  10.304   3.226
  228   2HB   TRP  34          2HB       TRP  34  11.273   9.201   3.356
  229    HD1  TRP  34           HD       TRP  34   7.967  10.071   4.949
  230    HE3  TRP  34          3HE       TRP  34  11.881   6.848   4.468
  231    HE1  TRP  34          1HE       TRP  34   7.676   8.696   7.113
  232    HZ3  TRP  34          3HZ       TRP  34  12.323   5.127   6.199
  233    HZ2  TRP  34          2HZ       TRP  34   8.941   6.508   8.459
  234    HH2  TRP  34           HH       TRP  34  10.856   4.952   8.190
  235    H    SER  35           H        SER  35   9.940   7.102   0.020
  236    HA   SER  35           HA       SER  35  11.895   8.871  -1.247
  237   1HB   SER  35          1HB       SER  35  11.729   7.170  -3.040
  238   2HB   SER  35          2HB       SER  35  10.320   6.476  -2.243
  239    HG   SER  35           HG       SER  35  11.761   5.326  -1.243
  240    H    ARG  36           H        ARG  36  10.572   8.331  -3.967
  241    HA   ARG  36           HA       ARG  36   8.527  10.531  -3.847
  242   2HB   ARG  36          1HB       ARG  36   9.716  10.499  -6.393
  243   1HB   ARG  36          2HB       ARG  36  11.048  10.216  -5.273
  244   2HG   ARG  36          1HG       ARG  36   9.607  12.214  -4.012
  245   1HG   ARG  36          2HG       ARG  36   9.455  12.645  -5.715
  246   2HD   ARG  36          1HD       ARG  36  11.949  12.451  -5.936
  247   1HD   ARG  36          2HD       ARG  36  12.042  12.163  -4.187
  248    HE   ARG  36           HE       ARG  36  11.082  14.421  -3.857
  249   1HH1  ARG  36          1HH1      ARG  36   9.700  14.841  -6.440
  250   2HH1  ARG  36          2HH1      ARG  36  10.777  15.898  -7.289
  251   1HH2  ARG  36          1HH2      ARG  36  13.485  15.234  -5.214
  252   2HH2  ARG  36          2HH2      ARG  36  12.926  16.120  -6.593
  253    H    ARG  37           H        ARG  37   9.689   8.033  -6.168
  254    HA   ARG  37           HA       ARG  37   6.885   7.594  -7.060
  255   2HB   ARG  37          1HB       ARG  37   9.419   6.302  -8.090
  256   1HB   ARG  37          2HB       ARG  37   8.975   7.948  -8.539
  257   2HG   ARG  37          1HG       ARG  37   7.641   7.092 -10.140
  258   1HG   ARG  37          2HG       ARG  37   6.639   6.386  -8.872
  259   2HD   ARG  37          1HD       ARG  37   8.719   4.605  -8.936
  260   1HD   ARG  37          2HD       ARG  37   8.633   5.093 -10.640
  261    HE   ARG  37           HE       ARG  37   6.066   4.442  -9.298
  262   1HH1  ARG  37          1HH1      ARG  37   5.668   4.326 -12.034
  263   2HH1  ARG  37          2HH1      ARG  37   6.089   2.722 -12.533
  264   1HH2  ARG  37          1HH2      ARG  37   7.902   2.016  -9.653
  265   2HH2  ARG  37          2HH2      ARG  37   7.357   1.410 -11.181
  266    H    SER  38           H        SER  38   7.565   6.722  -4.413
  267    HA   SER  38           HA       SER  38   8.393   4.250  -3.728
  268   1HB   SER  38          1HB       SER  38   6.560   4.310  -2.073
  269   2HB   SER  38          2HB       SER  38   5.710   5.485  -3.065
  270    HG   SER  38           HG       SER  38   7.876   5.832  -1.417
  271    H    THR  39           H        THR  39   7.990   2.147  -4.282
  272    HA   THR  39           HA       THR  39   5.363   1.337  -5.408
  273    HB   THR  39           HB       THR  39   8.047   1.141  -6.814
  274    HG1  THR  39          1HG       THR  39   7.234   2.943  -7.539
  275   1HG2  THR  39          1HG2      THR  39   5.477  -0.353  -7.214
  276   2HG2  THR  39          2HG2      THR  39   7.139  -0.927  -7.363
  277   3HG2  THR  39          3HG2      THR  39   6.440   0.085  -8.627
  278    H    ILE  40           H        ILE  40   5.185  -1.066  -5.516
  279    HA   ILE  40           HA       ILE  40   6.464  -2.363  -3.211
  280    HB   ILE  40           HB       ILE  40   4.783  -3.674  -5.348
  281   1HG2  ILE  40          1HG2      ILE  40   5.626  -5.152  -3.634
  282   2HG2  ILE  40          2HG2      ILE  40   3.908  -4.895  -3.346
  283   3HG2  ILE  40          3HG2      ILE  40   5.103  -4.049  -2.362
  284   1HG1  ILE  40          1HG1      ILE  40   4.054  -1.382  -3.746
  285   2HG1  ILE  40          2HG1      ILE  40   3.086  -2.781  -3.277
  286   1HD1  ILE  40          1HD1      ILE  40   2.384  -3.143  -5.558
  287   2HD1  ILE  40          2HD1      ILE  40   3.521  -1.934  -6.154
  288   3HD1  ILE  40          3HD1      ILE  40   2.129  -1.437  -5.194
  289    H    VAL  41           H        VAL  41   7.463  -4.560  -3.425
  290    HA   VAL  41           HA       VAL  41   8.851  -5.109  -6.019
  291    HB   VAL  41           HB       VAL  41  10.659  -5.621  -3.846
  292   1HG1  VAL  41          1HG1      VAL  41  11.010  -5.011  -6.348
  293   2HG1  VAL  41          2HG1      VAL  41  12.152  -4.351  -5.179
  294   3HG1  VAL  41          3HG1      VAL  41  10.862  -3.337  -5.822
  295   1HG2  VAL  41          1HG2      VAL  41  10.972  -3.414  -2.887
  296   2HG2  VAL  41          2HG2      VAL  41   9.270  -3.821  -2.680
  297   3HG2  VAL  41          3HG2      VAL  41   9.759  -2.714  -3.955
  298    HA   PRO  42           HA       PRO  42   8.234  -9.314  -5.085
  299   2HB   PRO  42          1HB       PRO  42   9.758  -9.889  -6.696
  300   1HB   PRO  42          2HB       PRO  42  10.668 -10.516  -5.310
  301   1HG   PRO  42          1HG       PRO  42  11.710  -8.728  -6.980
  302   2HG   PRO  42          2HG       PRO  42  12.049  -8.684  -5.242
  303   2HD   PRO  42          1HD       PRO  42  10.294  -6.937  -6.883
  304   1HD   PRO  42          2HD       PRO  42  11.238  -6.563  -5.425
  305    H    GLU  43           H        GLU  43  10.928  -7.960  -3.227
  306    HA   GLU  43           HA       GLU  43  10.962 -10.004  -1.180
  307   2HB   GLU  43          1HB       GLU  43  12.070  -7.774  -0.053
  308   1HB   GLU  43          2HB       GLU  43  12.189  -7.377  -1.767
  309   2HG   GLU  43          1HG       GLU  43  13.671  -9.088  -2.195
  310   1HG   GLU  43          2HG       GLU  43  12.988 -10.132  -0.949
  311    H    MET  44           H        MET  44   8.590  -7.762  -1.894
  312    HA   MET  44           HA       MET  44   7.893  -7.142   0.931
  313   2HB   MET  44          1HB       MET  44   6.253  -5.635  -0.321
  314   1HB   MET  44          2HB       MET  44   7.064  -6.160  -1.800
  315   1HG   MET  44          1HG       MET  44   8.505  -5.008   0.590
  316   2HG   MET  44          2HG       MET  44   7.995  -4.036  -0.787
  317   1HE   MET  44          1HE       MET  44  10.651  -3.329  -0.898
  318   2HE   MET  44          2HE       MET  44  11.933  -4.535  -0.928
  319   3HE   MET  44          3HE       MET  44  10.874  -4.422   0.474
  320    H    VAL  45           H        VAL  45   7.302  -9.589  -1.154
  321    HA   VAL  45           HA       VAL  45   4.519 -10.020  -1.265
  322    HB   VAL  45           HB       VAL  45   6.123 -11.277  -2.557
  323   1HG1  VAL  45          1HG1      VAL  45   7.577 -12.999  -1.320
  324   2HG1  VAL  45          2HG1      VAL  45   7.203 -12.094   0.147
  325   3HG1  VAL  45          3HG1      VAL  45   8.062 -11.308  -1.180
  326   1HG2  VAL  45          1HG2      VAL  45   5.152 -13.383  -2.424
  327   2HG2  VAL  45          2HG2      VAL  45   3.977 -12.435  -1.514
  328   3HG2  VAL  45          3HG2      VAL  45   5.180 -13.401  -0.662
  329    H    GLY  46           H        GLY  46   6.207  -9.757   1.648
  330   2HA   GLY  46          1HA       GLY  46   5.625 -11.691   3.414
  331   1HA   GLY  46          2HA       GLY  46   4.002 -11.085   3.078
  332    H    HIS  47           H        HIS  47   4.836  -8.282   2.743
  333    HA   HIS  47           HA       HIS  47   5.237  -7.623   5.628
  334   1HB   HIS  47          1HB       HIS  47   7.031  -6.095   5.111
  335   2HB   HIS  47          2HB       HIS  47   6.779  -6.303   3.381
  336    HD1  HIS  47          1HD       HIS  47   8.329  -7.955   6.364
  337    HD2  HIS  47          2HD       HIS  47   7.802  -8.734   2.305
  338    HE1  HIS  47          1HE       HIS  47   9.848  -9.904   5.806
  339    H    THR  48           H        THR  48   4.488  -5.497   6.190
  340    HA   THR  48           HA       THR  48   2.489  -4.360   4.306
  341    HB   THR  48           HB       THR  48   2.629  -3.264   7.029
  342    HG1  THR  48          1HG       THR  48   3.040  -5.083   7.981
  343   1HG2  THR  48          1HG2      THR  48   0.344  -4.918   6.115
  344   2HG2  THR  48          2HG2      THR  48   0.727  -3.500   5.140
  345   3HG2  THR  48          3HG2      THR  48   0.353  -3.317   6.853
  346    H    ILE  49           H        ILE  49   4.196  -3.322   3.031
  347    HA   ILE  49           HA       ILE  49   5.995  -1.423   4.372
  348    HB   ILE  49           HB       ILE  49   5.497  -2.217   1.492
  349   1HG2  ILE  49          1HG2      ILE  49   7.378  -0.940   0.851
  350   2HG2  ILE  49          2HG2      ILE  49   7.919  -0.737   2.517
  351   3HG2  ILE  49          3HG2      ILE  49   6.501   0.137   1.936
  352   1HG1  ILE  49          1HG1      ILE  49   6.970  -3.341   3.728
  353   2HG1  ILE  49          2HG1      ILE  49   8.057  -2.964   2.393
  354   1HD1  ILE  49          1HD1      ILE  49   6.385  -4.152   0.879
  355   2HD1  ILE  49          2HD1      ILE  49   5.602  -4.726   2.350
  356   3HD1  ILE  49          3HD1      ILE  49   7.267  -5.186   2.002
  357    H    ALA  50           H        ALA  50   5.438   0.645   4.802
  358    HA   ALA  50           HA       ALA  50   3.006   1.781   3.676
  359   1HB   ALA  50          1HB       ALA  50   5.160   2.899   5.483
  360   2HB   ALA  50          2HB       ALA  50   3.630   2.183   5.989
  361   3HB   ALA  50          3HB       ALA  50   3.638   3.719   5.118
  362    H    VAL  51           H        VAL  51   3.492   1.811   1.471
  363    HA   VAL  51           HA       VAL  51   5.769   3.048   0.252
  364    HB   VAL  51           HB       VAL  51   4.280   1.527  -0.931
  365   1HG1  VAL  51          1HG1      VAL  51   2.050   1.611  -0.636
  366   2HG1  VAL  51          2HG1      VAL  51   1.997   3.188  -1.425
  367   3HG1  VAL  51          3HG1      VAL  51   2.236   3.082   0.318
  368   1HG2  VAL  51          1HG2      VAL  51   4.297   4.367  -1.959
  369   2HG2  VAL  51          2HG2      VAL  51   3.610   3.046  -2.903
  370   3HG2  VAL  51          3HG2      VAL  51   5.314   3.014  -2.455
  371    H    TYR  52           H        TYR  52   6.322   5.196   0.346
  372    HA   TYR  52           HA       TYR  52   4.565   7.222   1.396
  373   2HB   TYR  52          1HB       TYR  52   7.048   7.617  -0.304
  374   1HB   TYR  52          2HB       TYR  52   7.121   7.137   1.391
  375    HD1  TYR  52          1HD       TYR  52   5.239   8.637   2.833
  376    HE1  TYR  52          1HE       TYR  52   4.987  11.003   3.524
  377    HE2  TYR  52          2HE       TYR  52   7.227  12.247   0.076
  378    HD2  TYR  52          2HD       TYR  52   7.479   9.880  -0.612
  379    HH   TYR  52           HH       TYR  52   5.353  13.525   1.616
  380    H    ASN  53           H        ASN  53   2.745   7.775   0.278
  381    HA   ASN  53           HA       ASN  53   2.562   7.687  -2.643
  382   2HB   ASN  53          1HB       ASN  53   0.799   8.656  -0.369
  383   1HB   ASN  53          2HB       ASN  53   0.675   7.127  -1.236
  384   1HD2  ASN  53          1HD2      ASN  53  -0.264  10.483  -1.264
  385   2HD2  ASN  53          2HD2      ASN  53  -1.115  10.442  -2.734
  386    H    GLY  54           H        GLY  54   4.286   9.795  -0.864
  387   2HA   GLY  54          1HA       GLY  54   3.563  12.124  -2.588
  388   1HA   GLY  54          2HA       GLY  54   5.190  11.805  -1.978
  389    H    LYS  55           H        LYS  55   2.386  11.292   0.054
  390    HA   LYS  55           HA       LYS  55   3.274  13.528   1.803
  391   2HB   LYS  55          1HB       LYS  55   1.478  14.567   0.726
  392   1HB   LYS  55          2HB       LYS  55   0.670  13.817   2.100
  393   2HG   LYS  55          1HG       LYS  55   0.474  11.769   0.392
  394   1HG   LYS  55          2HG       LYS  55   0.571  13.073  -0.789
  395   2HD   LYS  55          1HD       LYS  55  -1.705  13.096  -0.431
  396   1HD   LYS  55          2HD       LYS  55  -1.223  14.171   0.881
  397   2HE   LYS  55          1HE       LYS  55  -1.253  12.303   2.469
  398   1HE   LYS  55          2HE       LYS  55  -1.614  11.164   1.157
  399   1HZ   LYS  55          1HZ       LYS  55  -3.629  12.424   0.683
  400   2HZ   LYS  55          2HZ       LYS  55  -3.273  13.516   1.936
  401   3HZ   LYS  55          3HZ       LYS  55  -3.640  11.897   2.294
  402    H    GLN  56           H        GLN  56   1.634  10.420   1.418
  403    HA   GLN  56           HA       GLN  56   1.747  10.070   4.385
  404   2HB   GLN  56          1HB       GLN  56  -0.348   8.540   3.596
  405   1HB   GLN  56          2HB       GLN  56  -0.398   9.806   2.367
  406   2HG   GLN  56          1HG       GLN  56  -1.732  10.508   4.274
  407   1HG   GLN  56          2HG       GLN  56  -0.277  11.502   4.173
  408   1HE2  GLN  56          1HE2      GLN  56   0.230   8.204   5.295
  409   2HE2  GLN  56          2HE2      GLN  56   0.427   8.587   6.935
  410    H    HIS  57           H        HIS  57   2.082   7.971   5.149
  411    HA   HIS  57           HA       HIS  57   3.520   6.116   3.346
  412   1HB   HIS  57          1HB       HIS  57   4.492   5.365   5.364
  413   2HB   HIS  57          2HB       HIS  57   3.117   5.857   6.329
  414    HD1  HIS  57          1HD       HIS  57   3.294   8.067   7.476
  415    HD2  HIS  57          2HD       HIS  57   6.042   7.728   4.363
  416    HE1  HIS  57          1HE       HIS  57   4.715  10.160   7.547
  417    H    VAL  58           H        VAL  58   2.132   4.590   2.413
  418    HA   VAL  58           HA       VAL  58  -0.274   3.727   3.971
  419    HB   VAL  58           HB       VAL  58   0.465   3.285   1.055
  420   1HG1  VAL  58          1HG1      VAL  58  -2.244   3.233   2.411
  421   2HG1  VAL  58          2HG1      VAL  58  -1.279   1.788   2.115
  422   3HG1  VAL  58          3HG1      VAL  58  -1.866   2.749   0.757
  423   1HG2  VAL  58          1HG2      VAL  58   0.324   5.662   1.356
  424   2HG2  VAL  58          2HG2      VAL  58  -1.072   5.511   2.422
  425   3HG2  VAL  58          3HG2      VAL  58  -1.235   5.164   0.701
  426    HA   PRO  59           HA       PRO  59   2.583   0.186   4.628
  427   2HB   PRO  59          1HB       PRO  59   2.470   0.550   6.916
  428   1HB   PRO  59          2HB       PRO  59   1.254  -0.743   6.847
  429   1HG   PRO  59          1HG       PRO  59   0.669   1.650   7.850
  430   2HG   PRO  59          2HG       PRO  59  -0.507   0.757   6.870
  431   2HD   PRO  59          1HD       PRO  59   1.204   3.097   6.132
  432   1HD   PRO  59          2HD       PRO  59  -0.468   2.726   5.659
  433    H    VAL  60           H        VAL  60   1.787  -0.728   2.718
  434    HA   VAL  60           HA       VAL  60  -0.795  -2.213   2.817
  435    HB   VAL  60           HB       VAL  60   1.204  -1.656   0.593
  436   1HG1  VAL  60          1HG1      VAL  60  -0.043  -3.696   0.146
  437   2HG1  VAL  60          2HG1      VAL  60  -0.658  -2.402  -0.884
  438   3HG1  VAL  60          3HG1      VAL  60  -1.563  -2.892   0.548
  439   1HG2  VAL  60          1HG2      VAL  60  -1.532  -0.455   1.138
  440   2HG2  VAL  60          2HG2      VAL  60  -0.428  -0.008  -0.162
  441   3HG2  VAL  60          3HG2      VAL  60  -0.004   0.340   1.514
  442    H    TYR  61           H        TYR  61  -0.723  -4.348   3.426
  443    HA   TYR  61           HA       TYR  61   1.786  -5.821   3.532
  444   2HB   TYR  61          1HB       TYR  61  -0.992  -7.007   3.634
  445   1HB   TYR  61          2HB       TYR  61  -0.339  -6.089   4.993
  446    HD1  TYR  61          1HD       TYR  61   0.727  -7.345   6.641
  447    HE1  TYR  61          1HE       TYR  61   2.051  -9.315   7.341
  448    HE2  TYR  61          2HE       TYR  61   2.168 -10.681   3.264
  449    HD2  TYR  61          2HD       TYR  61   0.858  -8.714   2.570
  450    HH   TYR  61           HH       TYR  61   3.793 -10.927   6.036
  451    H    ILE  62           H        ILE  62   2.686  -6.201   1.545
  452    HA   ILE  62           HA       ILE  62   1.029  -6.788  -0.797
  453    HB   ILE  62           HB       ILE  62   4.022  -6.749  -0.330
  454   1HG2  ILE  62          1HG2      ILE  62   4.276  -6.696  -2.700
  455   2HG2  ILE  62          2HG2      ILE  62   2.552  -6.432  -2.954
  456   3HG2  ILE  62          3HG2      ILE  62   3.130  -7.998  -2.385
  457   1HG1  ILE  62          1HG1      ILE  62   2.025  -4.654  -0.515
  458   2HG1  ILE  62          2HG1      ILE  62   3.191  -4.515  -1.828
  459   1HD1  ILE  62          1HD1      ILE  62   3.700  -3.398   0.507
  460   2HD1  ILE  62          2HD1      ILE  62   4.990  -4.220  -0.370
  461   3HD1  ILE  62          3HD1      ILE  62   4.173  -5.036   0.967
  462    H    THR  63           H        THR  63   0.649  -8.773  -1.631
  463    HA   THR  63           HA       THR  63   1.784 -11.153  -0.247
  464    HB   THR  63           HB       THR  63  -0.092 -12.310  -1.333
  465    HG1  THR  63          1HG       THR  63  -0.951 -11.517  -3.062
  466   1HG2  THR  63          1HG2      THR  63  -0.489 -10.890   0.733
  467   2HG2  THR  63          2HG2      THR  63  -1.920 -11.217  -0.244
  468   3HG2  THR  63          3HG2      THR  63  -1.124  -9.648  -0.344
  469    H    GLU  64           H        GLU  64   1.494 -12.912  -2.517
  470    HA   GLU  64           HA       GLU  64   3.923 -12.133  -4.009
  471   2HB   GLU  64          1HB       GLU  64   3.708 -14.412  -3.177
  472   1HB   GLU  64          2HB       GLU  64   3.632 -14.461  -4.936
  473   1HG   GLU  64          1HG       GLU  64   0.973 -14.078  -3.958
  474   2HG   GLU  64          2HG       GLU  64   1.694 -15.419  -3.067
  475    H    ASN  65           H        ASN  65   0.830 -11.162  -4.478
  476    HA   ASN  65           HA       ASN  65   1.181 -11.155  -7.440
  477   1HB   ASN  65          1HB       ASN  65  -0.137 -13.135  -6.677
  478   2HB   ASN  65          2HB       ASN  65  -1.052 -12.064  -7.742
  479   1HD2  ASN  65          1HD2      ASN  65  -2.793 -10.770  -6.761
  480   2HD2  ASN  65          2HD2      ASN  65  -3.383 -11.122  -5.210
  481    H    MET  66           H        MET  66   1.015  -9.135  -4.994
  482    HA   MET  66           HA       MET  66  -1.018  -7.304  -6.228
  483   2HB   MET  66          1HB       MET  66  -1.053  -6.309  -3.948
  484   1HB   MET  66          2HB       MET  66   0.074  -7.558  -3.416
  485   2HG   MET  66          1HG       MET  66  -1.570  -9.292  -4.071
  486   1HG   MET  66          2HG       MET  66  -2.688  -8.032  -4.591
  487   1HE   MET  66          1HE       MET  66  -4.041  -9.696  -1.254
  488   2HE   MET  66          2HE       MET  66  -3.172 -10.383  -2.624
  489   3HE   MET  66          3HE       MET  66  -4.496  -9.254  -2.905
  490    H    VAL  67           H        VAL  67   2.268  -7.880  -6.101
  491    HA   VAL  67           HA       VAL  67   3.222  -5.115  -5.754
  492    HB   VAL  67           HB       VAL  67   4.490  -7.087  -4.975
  493   1HG1  VAL  67          1HG1      VAL  67   4.028  -8.873  -6.387
  494   2HG1  VAL  67          2HG1      VAL  67   5.603  -8.388  -7.012
  495   3HG1  VAL  67          3HG1      VAL  67   4.132  -7.883  -7.845
  496   1HG2  VAL  67          1HG2      VAL  67   6.655  -6.550  -6.009
  497   2HG2  VAL  67          2HG2      VAL  67   5.742  -5.073  -5.719
  498   3HG2  VAL  67          3HG2      VAL  67   5.835  -5.745  -7.344
  499    H    GLY  68           H        GLY  68   4.649  -4.156  -7.508
  500   2HA   GLY  68          1HA       GLY  68   3.669  -4.843 -10.247
  501   1HA   GLY  68          2HA       GLY  68   5.283  -4.223  -9.913
  502    H    HIS  69           H        HIS  69   2.767  -2.728  -8.064
  503    HA   HIS  69           HA       HIS  69   2.710  -0.451 -10.006
  504   2HB   HIS  69          1HB       HIS  69   0.466  -0.040  -8.939
  505   1HB   HIS  69          2HB       HIS  69   0.667  -1.526  -8.011
  506    HD1  HIS  69          1HD       HIS  69  -1.063  -0.501 -10.856
  507    HD2  HIS  69          2HD       HIS  69   1.594  -3.661 -10.224
  508    HE1  HIS  69          1HE       HIS  69  -1.495  -2.181 -12.700
  509    H    LYS  70           H        LYS  70   1.518  -0.444  -6.716
  510    HA   LYS  70           HA       LYS  70   3.692   0.748  -5.341
  511   2HB   LYS  70          1HB       LYS  70   3.619   2.641  -6.748
  512   1HB   LYS  70          2HB       LYS  70   2.654   3.141  -5.362
  513   1HG   LYS  70          1HG       LYS  70   1.224   1.743  -7.561
  514   2HG   LYS  70          2HG       LYS  70   1.778   3.380  -7.893
  515   2HD   LYS  70          1HD       LYS  70   0.698   3.736  -5.429
  516   1HD   LYS  70          2HD       LYS  70  -0.323   2.424  -6.018
  517   1HE   LYS  70          1HE       LYS  70   0.127   4.539  -8.025
  518   2HE   LYS  70          2HE       LYS  70  -0.732   5.101  -6.577
  519   1HZ   LYS  70          1HZ       LYS  70  -1.394   2.633  -8.113
  520   2HZ   LYS  70          2HZ       LYS  70  -2.230   4.105  -8.252
  521   3HZ   LYS  70          3HZ       LYS  70  -2.251   3.249  -6.785
  522    H    LEU  71           H        LEU  71   0.299   0.595  -5.851
  523    HA   LEU  71           HA       LEU  71  -0.457  -0.362  -3.283
  524   1HB   LEU  71          1HB       LEU  71   0.322   2.170  -3.003
  525   2HB   LEU  71          2HB       LEU  71  -1.046   1.544  -2.093
  526    HG   LEU  71           HG       LEU  71  -1.670   2.644  -4.784
  527   1HD1  LEU  71          1HD1      LEU  71  -3.709   3.174  -3.776
  528   2HD1  LEU  71          2HD1      LEU  71  -2.988   3.348  -2.177
  529   3HD1  LEU  71          3HD1      LEU  71  -3.230   1.742  -2.864
  530   1HD2  LEU  71          1HD2      LEU  71  -1.424   4.921  -4.195
  531   2HD2  LEU  71          2HD2      LEU  71   0.079   4.184  -3.638
  532   3HD2  LEU  71          3HD2      LEU  71  -1.207   4.546  -2.485
  533    H    GLY  72           H        GLY  72  -1.291   0.941  -6.420
  534   2HA   GLY  72          1HA       GLY  72  -3.278   0.936  -7.660
  535   1HA   GLY  72          2HA       GLY  72  -4.169   0.824  -6.143
  536    H    GLU  73           H        GLU  73  -1.760  -1.584  -6.488
  537    HA   GLU  73           HA       GLU  73  -3.384  -3.575  -7.909
  538   2HB   GLU  73          1HB       GLU  73  -1.441  -5.000  -6.770
  539   1HB   GLU  73          2HB       GLU  73  -0.748  -3.404  -6.482
  540   2HG   GLU  73          1HG       GLU  73   0.113  -3.698  -8.563
  541   1HG   GLU  73          2HG       GLU  73  -1.483  -3.154  -9.080
  542    H    PHE  74           H        PHE  74  -2.890  -2.439  -4.683
  543    HA   PHE  74           HA       PHE  74  -4.213  -4.793  -3.451
  544   1HB   PHE  74          1HB       PHE  74  -3.341  -3.917  -1.416
  545   2HB   PHE  74          2HB       PHE  74  -3.178  -2.300  -2.090
  546    HD1  PHE  74          1HD       PHE  74  -1.613  -5.587  -1.730
  547    HE1  PHE  74          1HE       PHE  74   0.758  -6.026  -2.269
  548    HZ   PHE  74           HZ       PHE  74   2.063  -4.371  -3.559
  549    HE2  PHE  74          2HE       PHE  74   0.998  -2.264  -4.290
  550    HD2  PHE  74          2HD       PHE  74  -1.348  -1.809  -3.764
  551    H    ALA  75           H        ALA  75  -4.814  -1.518  -4.492
  552    HA   ALA  75           HA       ALA  75  -7.561  -1.663  -3.302
  553   1HB   ALA  75          1HB       ALA  75  -7.287   0.828  -2.960
  554   2HB   ALA  75          2HB       ALA  75  -5.597   0.649  -3.434
  555   3HB   ALA  75          3HB       ALA  75  -6.195  -0.149  -1.979
  556    HA   PRO  76           HA       PRO  76  -7.487  -0.475  -7.834
  557   2HB   PRO  76          1HB       PRO  76  -6.384  -2.318  -8.694
  558   1HB   PRO  76          2HB       PRO  76  -8.033  -2.876  -9.030
  559   1HG   PRO  76          1HG       PRO  76  -6.205  -4.179  -7.433
  560   2HG   PRO  76          2HG       PRO  76  -7.957  -4.404  -7.365
  561   2HD   PRO  76          1HD       PRO  76  -6.210  -3.233  -5.403
  562   1HD   PRO  76          2HD       PRO  76  -7.953  -3.544  -5.283
  563    H    THR  77           H        THR  77  -9.494  -0.105  -5.987
  564    HA   THR  77           HA       THR  77 -11.948  -1.509  -6.418
  565    HB   THR  77           HB       THR  77 -11.365   0.028  -4.523
  566    HG1  THR  77          1HG       THR  77 -13.467  -0.247  -4.528
  567   1HG2  THR  77          1HG2      THR  77 -10.396   1.785  -6.156
  568   2HG2  THR  77          2HG2      THR  77 -11.320   2.376  -4.775
  569   3HG2  THR  77          3HG2      THR  77 -12.067   2.307  -6.371
  570    H    ARG  78           H        ARG  78 -13.610  -1.211  -7.907
  571    HA   ARG  78           HA       ARG  78 -13.502   1.061  -9.817
  572   2HB   ARG  78          1HB       ARG  78 -13.547  -1.825 -10.745
  573   1HB   ARG  78          2HB       ARG  78 -12.052  -0.902 -10.592
  574   1HG   ARG  78          1HG       ARG  78 -14.081   0.611 -12.029
  575   2HG   ARG  78          2HG       ARG  78 -13.774  -0.943 -12.806
  576   2HD   ARG  78          1HD       ARG  78 -11.267  -0.376 -12.580
  577   1HD   ARG  78          2HD       ARG  78 -11.799   1.278 -12.216
  578    HE   ARG  78           HE       ARG  78 -12.331  -0.187 -14.770
  579   1HH1  ARG  78          1HH1      ARG  78 -14.534   1.693 -14.246
  580   2HH1  ARG  78          2HH1      ARG  78 -13.959   3.177 -14.930
  581   1HH2  ARG  78          1HH2      ARG  78 -10.642   2.145 -15.048
  582   2HH2  ARG  78          2HH2      ARG  78 -11.751   3.433 -15.385
  583    H    THR  79           H        THR  79 -15.578   1.802  -9.834
  584    HA   THR  79           HA       THR  79 -17.931   1.836  -9.942
  585    HB   THR  79           HB       THR  79 -17.730  -1.108 -10.622
  586    HG1  THR  79          1HG       THR  79 -17.241   1.132 -12.299
  587   1HG2  THR  79          1HG2      THR  79 -19.635   1.144 -11.200
  588   2HG2  THR  79          2HG2      THR  79 -19.982  -0.474 -10.592
  589   3HG2  THR  79          3HG2      THR  79 -19.547  -0.243 -12.285
  590    H    TYR  80           H        TYR  80 -19.906   0.870  -8.836
  591    HA   TYR  80           HA       TYR  80 -19.162  -0.047  -6.110
  592   2HB   TYR  80          1HB       TYR  80 -21.720   0.423  -5.858
  593   1HB   TYR  80          2HB       TYR  80 -21.583   1.143  -7.463
  594    HD1  TYR  80          1HD       TYR  80 -20.398   3.221  -7.814
  595    HE1  TYR  80          1HE       TYR  80 -19.478   5.290  -6.803
  596    HE2  TYR  80          2HE       TYR  80 -19.533   3.427  -2.934
  597    HD2  TYR  80          2HD       TYR  80 -20.453   1.358  -3.943
  598    HH   TYR  80           HH       TYR  80 -17.976   5.585  -4.264

  No H/Q in entry =         598
  Start of MODEL   20
    1    H    GLY   8           H        GLY   8   5.160   0.450 -10.336
    2   2HA   GLY   8          1HA       GLY   8   5.339   2.779 -10.117
    3   1HA   GLY   8          2HA       GLY   8   4.427   2.884 -11.624
    4    H    VAL   9           H        VAL   9   7.042   4.168 -10.444
    5    HA   VAL   9           HA       VAL   9   8.623   3.886 -12.974
    6    HB   VAL   9           HB       VAL   9   8.305   6.142 -10.970
    7   1HG1  VAL   9          1HG1      VAL   9  10.516   6.413 -11.707
    8   2HG1  VAL   9          2HG1      VAL   9   9.611   7.378 -12.872
    9   3HG1  VAL   9          3HG1      VAL   9  10.164   5.762 -13.308
   10   1HG2  VAL   9          1HG2      VAL   9   7.504   5.885 -13.888
   11   2HG2  VAL   9          2HG2      VAL   9   7.255   7.308 -12.876
   12   3HG2  VAL   9          3HG2      VAL   9   6.398   5.808 -12.516
   13    H    PHE  10           H        PHE  10   9.124   4.676  -9.527
   14    HA   PHE  10           HA       PHE  10  11.678   3.109  -9.617
   15   2HB   PHE  10          1HB       PHE  10  11.047   5.876  -9.013
   16   1HB   PHE  10          2HB       PHE  10  12.624   5.123  -9.191
   17    HD1  PHE  10          1HD       PHE  10  13.983   4.633  -7.289
   18    HE1  PHE  10          1HE       PHE  10  14.346   4.832  -4.846
   19    HZ   PHE  10           HZ       PHE  10  12.475   5.481  -3.352
   20    HE2  PHE  10          2HE       PHE  10  10.223   5.935  -4.320
   21    HD2  PHE  10          2HD       PHE  10   9.865   5.740  -6.764
   22    H    VAL  11           H        VAL  11  12.233   2.062  -7.561
   23    HA   VAL  11           HA       VAL  11   9.846   1.583  -5.810
   24    HB   VAL  11           HB       VAL  11  10.623  -0.356  -7.171
   25   1HG1  VAL  11          1HG1      VAL  11  13.090   0.481  -7.055
   26   2HG1  VAL  11          2HG1      VAL  11  12.792  -1.255  -7.011
   27   3HG1  VAL  11          3HG1      VAL  11  13.146  -0.385  -5.520
   28   1HG2  VAL  11          1HG2      VAL  11  10.192  -0.247  -4.366
   29   2HG2  VAL  11          2HG2      VAL  11  11.492  -1.408  -4.633
   30   3HG2  VAL  11          3HG2      VAL  11   9.938  -1.622  -5.442
   31    H    ASP  12           H        ASP  12  10.087   2.460  -3.805
   32    HA   ASP  12           HA       ASP  12  12.257   3.881  -2.851
   33   2HB   ASP  12          1HB       ASP  12  10.340   2.205  -1.217
   34   1HB   ASP  12          2HB       ASP  12   9.958   3.785  -1.901
   35    H    ASP  13           H        ASP  13  14.333   3.117  -2.805
   36    HA   ASP  13           HA       ASP  13  15.077   0.406  -2.229
   37   2HB   ASP  13          1HB       ASP  13  16.795   2.872  -1.918
   38   1HB   ASP  13          2HB       ASP  13  16.315   2.287  -3.512
   39    H    HIS  14           H        HIS  14  14.336   3.221  -0.346
   40    HA   HIS  14           HA       HIS  14  15.703   2.577   2.082
   41   2HB   HIS  14          1HB       HIS  14  13.102   4.036   2.093
   42   1HB   HIS  14          2HB       HIS  14  14.369   4.697   1.058
   43    HD1  HIS  14          1HD       HIS  14  14.181   3.330   4.635
   44    HD2  HIS  14          2HD       HIS  14  15.959   6.434   2.494
   45    HE1  HIS  14          1HE       HIS  14  15.498   4.695   6.313
   46    H    LEU  15           H        LEU  15  12.788   1.350   0.616
   47    HA   LEU  15           HA       LEU  15  11.710   0.225   3.114
   48   1HB   LEU  15          1HB       LEU  15  10.680   1.038   0.706
   49   2HB   LEU  15          2HB       LEU  15   9.831  -0.025   1.817
   50    HG   LEU  15           HG       LEU  15  11.696  -1.146  -0.275
   51   1HD1  LEU  15          1HD1      LEU  15   9.574  -2.848   0.072
   52   2HD1  LEU  15          2HD1      LEU  15   9.730  -2.147   1.682
   53   3HD1  LEU  15          3HD1      LEU  15  11.101  -2.973   0.941
   54   1HD2  LEU  15          1HD2      LEU  15  10.190   0.134  -1.603
   55   2HD2  LEU  15          2HD2      LEU  15   8.819  -0.264  -0.568
   56   3HD2  LEU  15          3HD2      LEU  15   9.529  -1.501  -1.605
   57    H    LEU  16           H        LEU  16  13.497  -0.773   0.255
   58    HA   LEU  16           HA       LEU  16  13.562  -3.608   0.734
   59   2HB   LEU  16          1HB       LEU  16  15.694  -3.257  -0.758
   60   1HB   LEU  16          2HB       LEU  16  15.111  -1.592  -0.854
   61    HG   LEU  16           HG       LEU  16  12.842  -3.208  -1.202
   62   1HD1  LEU  16          1HD1      LEU  16  13.959  -1.011  -2.330
   63   2HD1  LEU  16          2HD1      LEU  16  12.602  -1.879  -3.051
   64   3HD1  LEU  16          3HD1      LEU  16  14.245  -2.188  -3.613
   65   1HD2  LEU  16          1HD2      LEU  16  15.192  -4.199  -2.843
   66   2HD2  LEU  16          2HD2      LEU  16  13.507  -4.663  -3.086
   67   3HD2  LEU  16          3HD2      LEU  16  14.340  -5.113  -1.597
   68    H    GLU  17           H        GLU  17  15.896  -0.990   1.489
   69    HA   GLU  17           HA       GLU  17  17.938  -2.536   2.663
   70   1HB   GLU  17          1HB       GLU  17  18.014  -0.108   2.177
   71   2HB   GLU  17          2HB       GLU  17  18.535  -0.461   3.826
   72   2HG   GLU  17          1HG       GLU  17  16.032  -0.086   4.427
   73   1HG   GLU  17          2HG       GLU  17  15.954   0.733   2.871
   74    H    LYS  18           H        LYS  18  14.740  -1.894   3.911
   75    HA   LYS  18           HA       LYS  18  15.504  -2.954   6.601
   76   2HB   LYS  18          1HB       LYS  18  13.050  -2.089   6.992
   77   1HB   LYS  18          2HB       LYS  18  13.302  -1.246   5.465
   78   2HG   LYS  18          1HG       LYS  18  15.651  -0.769   6.900
   79   1HG   LYS  18          2HG       LYS  18  14.379  -0.649   8.116
   80   1HD   LYS  18          1HD       LYS  18  13.692   0.668   5.581
   81   2HD   LYS  18          2HD       LYS  18  15.111   1.363   6.361
   82   2HE   LYS  18          1HE       LYS  18  13.543   2.550   7.555
   83   1HE   LYS  18          2HE       LYS  18  13.416   1.058   8.505
   84   1HZ   LYS  18          1HZ       LYS  18  11.815   1.785   6.099
   85   2HZ   LYS  18          2HZ       LYS  18  11.244   1.689   7.696
   86   3HZ   LYS  18          3HZ       LYS  18  11.740   0.283   6.884
   87    H    VAL  19           H        VAL  19  13.487  -3.607   3.747
   88    HA   VAL  19           HA       VAL  19  11.973  -5.765   5.012
   89    HB   VAL  19           HB       VAL  19  11.443  -4.195   2.984
   90   1HG1  VAL  19          1HG1      VAL  19  13.538  -5.051   1.763
   91   2HG1  VAL  19          2HG1      VAL  19  12.045  -4.978   0.834
   92   3HG1  VAL  19          3HG1      VAL  19  12.614  -6.523   1.462
   93   1HG2  VAL  19          1HG2      VAL  19  10.391  -6.587   1.989
   94   2HG2  VAL  19          2HG2      VAL  19   9.644  -5.547   3.206
   95   3HG2  VAL  19          3HG2      VAL  19  10.659  -6.905   3.707
   96    H    LEU  20           H        LEU  20  14.814  -5.589   2.864
   97    HA   LEU  20           HA       LEU  20  15.055  -8.409   2.391
   98   1HB   LEU  20          1HB       LEU  20  16.200  -6.511   1.157
   99   2HB   LEU  20          2HB       LEU  20  17.273  -7.834   1.602
  100    HG   LEU  20           HG       LEU  20  16.978  -5.565   3.532
  101   1HD1  LEU  20          1HD1      LEU  20  18.617  -7.858   3.215
  102   2HD1  LEU  20          2HD1      LEU  20  18.753  -6.607   4.449
  103   3HD1  LEU  20          3HD1      LEU  20  19.657  -6.459   2.943
  104   1HD2  LEU  20          1HD2      LEU  20  18.561  -4.194   2.345
  105   2HD2  LEU  20          2HD2      LEU  20  17.275  -4.590   1.204
  106   3HD2  LEU  20          3HD2      LEU  20  18.817  -5.442   1.127
  107    H    GLU  21           H        GLU  21  15.806  -6.343   5.089
  108    HA   GLU  21           HA       GLU  21  17.610  -8.129   6.456
  109   2HB   GLU  21          1HB       GLU  21  16.703  -6.603   8.411
  110   1HB   GLU  21          2HB       GLU  21  15.944  -5.715   7.090
  111   2HG   GLU  21          1HG       GLU  21  18.059  -5.251   6.069
  112   1HG   GLU  21          2HG       GLU  21  18.889  -6.414   7.103
  113    H    LEU  22           H        LEU  22  14.097  -7.685   6.292
  114    HA   LEU  22           HA       LEU  22  13.498  -9.490   8.521
  115   2HB   LEU  22          1HB       LEU  22  11.221  -9.256   6.998
  116   1HB   LEU  22          2HB       LEU  22  12.114  -7.818   6.500
  117    HG   LEU  22           HG       LEU  22  11.130  -8.580   9.249
  118   1HD1  LEU  22          1HD1      LEU  22  13.347  -6.623   8.575
  119   2HD1  LEU  22          2HD1      LEU  22  13.479  -8.058   9.594
  120   3HD1  LEU  22          3HD1      LEU  22  12.513  -6.681  10.129
  121   1HD2  LEU  22          1HD2      LEU  22  10.406  -6.168   9.174
  122   2HD2  LEU  22          2HD2      LEU  22   9.661  -7.179   7.935
  123   3HD2  LEU  22          3HD2      LEU  22  10.993  -6.103   7.512
  124    H    ASN  23           H        ASN  23  14.022  -9.765   5.068
  125    HA   ASN  23           HA       ASN  23  12.975 -12.529   4.929
  126   2HB   ASN  23          1HB       ASN  23  13.932 -12.260   2.562
  127   1HB   ASN  23          2HB       ASN  23  14.345 -10.610   3.024
  128   1HD2  ASN  23          1HD2      ASN  23  12.718  -9.090   2.629
  129   2HD2  ASN  23          2HD2      ASN  23  11.069  -9.453   2.456
  130    H    ALA  24           H        ALA  24  15.909 -10.934   5.757
  131    HA   ALA  24           HA       ALA  24  17.683 -13.143   5.043
  132   1HB   ALA  24          1HB       ALA  24  18.401 -10.830   4.764
  133   2HB   ALA  24          2HB       ALA  24  19.365 -11.572   6.042
  134   3HB   ALA  24          3HB       ALA  24  18.033 -10.490   6.457
  135    H    LYS  25           H        LYS  25  16.336 -11.589   7.971
  136    HA   LYS  25           HA       LYS  25  17.629 -13.642   9.677
  137   1HB   LYS  25          1HB       LYS  25  16.909 -10.902   9.889
  138   2HB   LYS  25          2HB       LYS  25  17.677 -11.897  11.119
  139   1HG   LYS  25          1HG       LYS  25  14.691 -12.017  10.765
  140   2HG   LYS  25          2HG       LYS  25  15.415 -10.691  11.669
  141   2HD   LYS  25          1HD       LYS  25  16.109 -12.059  13.386
  142   1HD   LYS  25          2HD       LYS  25  16.350 -13.447  12.325
  143   2HE   LYS  25          1HE       LYS  25  13.627 -13.094  12.141
  144   1HE   LYS  25          2HE       LYS  25  13.937 -12.624  13.823
  145   1HZ   LYS  25          1HZ       LYS  25  13.650 -15.026  13.624
  146   2HZ   LYS  25          2HZ       LYS  25  15.241 -14.658  14.090
  147   3HZ   LYS  25          3HZ       LYS  25  14.904 -15.105  12.485
  148    H    GLY  26           H        GLY  26  14.500 -12.694   8.403
  149   2HA   GLY  26          1HA       GLY  26  13.327 -15.169   9.605
  150   1HA   GLY  26          2HA       GLY  26  12.769 -14.418   8.111
  151    H    GLU  27           H        GLU  27  13.078 -11.692   9.513
  152    HA   GLU  27           HA       GLU  27  11.040 -11.760  11.632
  153   2HB   GLU  27          1HB       GLU  27  11.425  -9.135  11.008
  154   1HB   GLU  27          2HB       GLU  27  12.904  -9.834  10.352
  155   2HG   GLU  27          1HG       GLU  27  13.393  -9.274  12.626
  156   1HG   GLU  27          2HG       GLU  27  13.173 -11.023  12.597
  157    H    LYS  28           H        LYS  28   8.861 -11.319  11.346
  158    HA   LYS  28           HA       LYS  28   7.958 -10.661   8.569
  159   2HB   LYS  28          1HB       LYS  28   5.836 -11.805   9.479
  160   1HB   LYS  28          2HB       LYS  28   6.832 -12.297  10.847
  161   2HG   LYS  28          1HG       LYS  28   7.111 -14.106   9.392
  162   1HG   LYS  28          2HG       LYS  28   8.493 -13.093   8.974
  163   1HD   LYS  28          1HD       LYS  28   6.222 -12.230   7.444
  164   2HD   LYS  28          2HD       LYS  28   6.398 -13.977   7.261
  165   2HE   LYS  28          1HE       LYS  28   8.515 -13.787   6.283
  166   1HE   LYS  28          2HE       LYS  28   8.843 -12.225   7.060
  167   1HZ   LYS  28          1HZ       LYS  28   7.126 -11.224   5.692
  168   2HZ   LYS  28          2HZ       LYS  28   6.773 -12.724   4.975
  169   3HZ   LYS  28          3HZ       LYS  28   8.273 -11.977   4.696
  170    H    ARG  29           H        ARG  29   8.277  -8.363   9.142
  171    HA   ARG  29           HA       ARG  29   6.026  -7.292  10.819
  172   2HB   ARG  29          1HB       ARG  29   8.467  -5.653  10.506
  173   1HB   ARG  29          2HB       ARG  29   8.713  -7.170  11.359
  174   1HG   ARG  29          1HG       ARG  29   6.363  -5.468  12.101
  175   2HG   ARG  29          2HG       ARG  29   7.963  -5.007  12.680
  176   2HD   ARG  29          1HD       ARG  29   8.238  -7.086  13.847
  177   1HD   ARG  29          2HD       ARG  29   6.840  -7.808  13.025
  178    HE   ARG  29           HE       ARG  29   6.732  -5.738  15.163
  179   1HH1  ARG  29          1HH1      ARG  29   5.244  -8.266  15.493
  180   2HH1  ARG  29          2HH1      ARG  29   3.638  -7.841  15.004
  181   1HH2  ARG  29          1HH2      ARG  29   4.620  -4.935  13.370
  182   2HH2  ARG  29          2HH2      ARG  29   3.284  -5.950  13.798
  183    H    LEU  30           H        LEU  30   6.476  -4.588  10.178
  184    HA   LEU  30           HA       LEU  30   5.688  -4.537   7.298
  185   1HB   LEU  30          1HB       LEU  30   4.310  -3.742   9.451
  186   2HB   LEU  30          2HB       LEU  30   4.178  -2.898   7.917
  187    HG   LEU  30           HG       LEU  30   6.401  -1.729   9.192
  188   1HD1  LEU  30          1HD1      LEU  30   5.089  -0.284   7.952
  189   2HD1  LEU  30          2HD1      LEU  30   4.529   0.117   9.575
  190   3HD1  LEU  30          3HD1      LEU  30   3.580  -0.967   8.559
  191   1HD2  LEU  30          1HD2      LEU  30   5.473  -1.040  11.372
  192   2HD2  LEU  30          2HD2      LEU  30   5.661  -2.792  11.299
  193   3HD2  LEU  30          3HD2      LEU  30   4.065  -2.067  11.099
  194    H    ILE  31           H        ILE  31   6.434  -2.640   6.040
  195    HA   ILE  31           HA       ILE  31   9.122  -1.652   6.944
  196    HB   ILE  31           HB       ILE  31   8.058  -2.000   4.120
  197   1HG2  ILE  31          1HG2      ILE  31  10.501  -1.919   3.553
  198   2HG2  ILE  31          2HG2      ILE  31  10.831  -1.518   5.240
  199   3HG2  ILE  31          3HG2      ILE  31   9.886  -0.416   4.239
  200   1HG1  ILE  31          1HG1      ILE  31   9.454  -4.040   4.026
  201   2HG1  ILE  31          2HG1      ILE  31   8.169  -4.190   5.220
  202   1HD1  ILE  31          1HD1      ILE  31   9.735  -3.675   7.021
  203   2HD1  ILE  31          2HD1      ILE  31  11.026  -3.390   5.854
  204   3HD1  ILE  31          3HD1      ILE  31  10.368  -5.013   6.064
  205    H    LYS  32           H        LYS  32   9.618   0.573   6.069
  206    HA   LYS  32           HA       LYS  32   7.142   2.230   5.719
  207   1HB   LYS  32          1HB       LYS  32   8.276   3.889   7.172
  208   2HB   LYS  32          2HB       LYS  32   9.653   2.796   7.329
  209   1HG   LYS  32          1HG       LYS  32   7.053   1.552   7.928
  210   2HG   LYS  32          2HG       LYS  32   7.494   2.850   9.037
  211   2HD   LYS  32          1HD       LYS  32   9.784   1.696   9.209
  212   1HD   LYS  32          2HD       LYS  32   9.024   0.317   8.411
  213   2HE   LYS  32          1HE       LYS  32   7.179   0.770  10.337
  214   1HE   LYS  32          2HE       LYS  32   8.625   1.364  11.175
  215   1HZ   LYS  32          1HZ       LYS  32   8.371  -1.255   9.773
  216   2HZ   LYS  32          2HZ       LYS  32   8.348  -1.039  11.458
  217   3HZ   LYS  32          3HZ       LYS  32   9.758  -0.695  10.574
  218    H    THR  33           H        THR  33   7.381   4.064   4.314
  219    HA   THR  33           HA       THR  33   9.973   4.241   2.807
  220    HB   THR  33           HB       THR  33   7.128   3.987   1.798
  221    HG1  THR  33          1HG       THR  33   9.502   2.486   1.416
  222   1HG2  THR  33          1HG2      THR  33   7.926   5.549   0.281
  223   2HG2  THR  33          2HG2      THR  33   8.474   4.056  -0.481
  224   3HG2  THR  33          3HG2      THR  33   9.598   5.028   0.466
  225    H    TRP  34           H        TRP  34  10.355   6.320   1.810
  226    HA   TRP  34           HA       TRP  34   8.501   8.560   2.498
  227   1HB   TRP  34          1HB       TRP  34  10.411   9.812   3.459
  228   2HB   TRP  34          2HB       TRP  34  11.459   8.424   3.181
  229    HD1  TRP  34           HD       TRP  34   8.609   9.632   5.398
  230    HE3  TRP  34          3HE       TRP  34  11.924   6.027   4.018
  231    HE1  TRP  34          1HE       TRP  34   8.450   8.084   7.454
  232    HZ3  TRP  34          3HZ       TRP  34  12.387   4.095   5.505
  233    HZ2  TRP  34          2HZ       TRP  34   9.603   5.631   8.392
  234    HH2  TRP  34           HH       TRP  34  11.229   3.892   7.687
  235    H    SER  35           H        SER  35   9.471   7.176  -0.054
  236    HA   SER  35           HA       SER  35  11.151   9.262  -1.325
  237   2HB   SER  35          1HB       SER  35  10.484   7.367  -3.225
  238   1HB   SER  35          2HB       SER  35  10.422   6.447  -1.725
  239    HG   SER  35           HG       SER  35  12.576   7.800  -2.888
  240    H    ARG  36           H        ARG  36  10.093   9.040  -3.973
  241    HA   ARG  36           HA       ARG  36   7.548  10.589  -3.642
  242   2HB   ARG  36          1HB       ARG  36   9.330  10.534  -6.079
  243   1HB   ARG  36          2HB       ARG  36   9.768  11.499  -4.669
  244   2HG   ARG  36          1HG       ARG  36   8.229  13.076  -5.169
  245   1HG   ARG  36          2HG       ARG  36   6.967  11.865  -5.398
  246   2HD   ARG  36          1HD       ARG  36   7.213  12.866  -7.549
  247   1HD   ARG  36          2HD       ARG  36   8.169  11.376  -7.668
  248    HE   ARG  36           HE       ARG  36   9.451  13.966  -6.862
  249   1HH1  ARG  36          1HH1      ARG  36  11.113  11.493  -7.061
  250   2HH1  ARG  36          2HH1      ARG  36  11.772  11.615  -8.657
  251   1HH2  ARG  36          1HH2      ARG  36   9.471  13.996  -9.711
  252   2HH2  ARG  36          2HH2      ARG  36  10.839  13.035 -10.162
  253    H    ARG  37           H        ARG  37   9.091   8.393  -6.051
  254    HA   ARG  37           HA       ARG  37   6.396   7.554  -6.992
  255   2HB   ARG  37          1HB       ARG  37   7.812   6.420  -8.752
  256   1HB   ARG  37          2HB       ARG  37   9.240   7.060  -7.936
  257   1HG   ARG  37          1HG       ARG  37   7.369   9.200  -8.291
  258   2HG   ARG  37          2HG       ARG  37   7.562   8.372  -9.837
  259   2HD   ARG  37          1HD       ARG  37  10.099   8.510  -9.415
  260   1HD   ARG  37          2HD       ARG  37   9.706   9.659  -8.121
  261    HE   ARG  37           HE       ARG  37   8.639  11.088  -9.842
  262   1HH1  ARG  37          1HH1      ARG  37  11.422  10.903 -10.830
  263   2HH1  ARG  37          2HH1      ARG  37  11.216  10.404 -12.476
  264   1HH2  ARG  37          1HH2      ARG  37   7.937   9.348 -12.021
  265   2HH2  ARG  37          2HH2      ARG  37   9.237   9.521 -13.152
  266    H    SER  38           H        SER  38   7.378   6.726  -4.328
  267    HA   SER  38           HA       SER  38   8.496   4.287  -3.893
  268   2HB   SER  38          1HB       SER  38   6.679   4.097  -2.091
  269   1HB   SER  38          2HB       SER  38   5.966   5.545  -2.809
  270    HG   SER  38           HG       SER  38   7.379   6.649  -1.776
  271    H    THR  39           H        THR  39   8.204   2.254  -4.676
  272    HA   THR  39           HA       THR  39   5.488   1.401  -5.616
  273    HB   THR  39           HB       THR  39   8.190   1.180  -6.975
  274    HG1  THR  39          1HG       THR  39   7.369   2.847  -7.926
  275   1HG2  THR  39          1HG2      THR  39   7.356  -0.949  -7.438
  276   2HG2  THR  39          2HG2      THR  39   6.668  -0.018  -8.767
  277   3HG2  THR  39          3HG2      THR  39   5.676  -0.417  -7.365
  278    H    ILE  40           H        ILE  40   5.275  -0.994  -5.681
  279    HA   ILE  40           HA       ILE  40   6.446  -2.251  -3.306
  280    HB   ILE  40           HB       ILE  40   4.842  -3.574  -5.496
  281   1HG2  ILE  40          1HG2      ILE  40   5.109  -3.901  -2.509
  282   2HG2  ILE  40          2HG2      ILE  40   5.576  -5.055  -3.761
  283   3HG2  ILE  40          3HG2      ILE  40   3.870  -4.717  -3.466
  284   1HG1  ILE  40          1HG1      ILE  40   4.088  -1.240  -3.991
  285   2HG1  ILE  40          2HG1      ILE  40   3.120  -2.611  -3.447
  286   1HD1  ILE  40          1HD1      ILE  40   2.381  -3.073  -5.686
  287   2HD1  ILE  40          2HD1      ILE  40   3.544  -1.938  -6.367
  288   3HD1  ILE  40          3HD1      ILE  40   2.174  -1.342  -5.432
  289    H    VAL  41           H        VAL  41   7.471  -4.449  -3.408
  290    HA   VAL  41           HA       VAL  41   8.943  -5.064  -5.943
  291    HB   VAL  41           HB       VAL  41  10.693  -5.552  -3.733
  292   1HG1  VAL  41          1HG1      VAL  41  12.178  -4.695  -5.218
  293   2HG1  VAL  41          2HG1      VAL  41  11.270  -3.196  -5.406
  294   3HG1  VAL  41          3HG1      VAL  41  10.816  -4.623  -6.335
  295   1HG2  VAL  41          1HG2      VAL  41   9.590  -2.707  -3.812
  296   2HG2  VAL  41          2HG2      VAL  41  11.039  -3.200  -2.938
  297   3HG2  VAL  41          3HG2      VAL  41   9.466  -3.828  -2.461
  298    HA   PRO  42           HA       PRO  42   8.253  -9.246  -4.986
  299   2HB   PRO  42          1HB       PRO  42   9.752  -9.837  -6.616
  300   1HB   PRO  42          2HB       PRO  42  10.686 -10.449  -5.240
  301   1HG   PRO  42          1HG       PRO  42  11.707  -8.680  -6.934
  302   2HG   PRO  42          2HG       PRO  42  12.055  -8.605  -5.198
  303   2HD   PRO  42          1HD       PRO  42  10.250  -6.913  -6.854
  304   1HD   PRO  42          2HD       PRO  42  11.236  -6.485  -5.439
  305    H    GLU  43           H        GLU  43  10.965  -7.888  -3.160
  306    HA   GLU  43           HA       GLU  43  11.014  -9.960  -1.134
  307   2HB   GLU  43          1HB       GLU  43  12.221  -7.867   0.039
  308   1HB   GLU  43          2HB       GLU  43  12.205  -7.271  -1.619
  309   2HG   GLU  43          1HG       GLU  43  14.246  -8.437  -1.450
  310   1HG   GLU  43          2HG       GLU  43  13.172  -9.578  -2.258
  311    H    MET  44           H        MET  44   8.651  -7.695  -1.789
  312    HA   MET  44           HA       MET  44   8.003  -7.019   1.019
  313   1HB   MET  44          1HB       MET  44   6.526  -5.434   0.028
  314   2HB   MET  44          2HB       MET  44   6.517  -6.299  -1.506
  315   1HG   MET  44          1HG       MET  44   7.995  -4.149  -1.257
  316   2HG   MET  44          2HG       MET  44   8.653  -5.554  -2.090
  317   1HE   MET  44          1HE       MET  44  11.284  -4.293  -1.416
  318   2HE   MET  44          2HE       MET  44  10.716  -5.852  -2.006
  319   3HE   MET  44          3HE       MET  44  11.876  -5.788  -0.686
  320    H    VAL  45           H        VAL  45   7.243  -9.511  -1.158
  321    HA   VAL  45           HA       VAL  45   4.551 -10.078  -1.084
  322    HB   VAL  45           HB       VAL  45   6.989 -11.840  -0.762
  323   1HG1  VAL  45          1HG1      VAL  45   5.310 -13.337  -0.155
  324   2HG1  VAL  45          2HG1      VAL  45   5.339 -13.532  -1.907
  325   3HG1  VAL  45          3HG1      VAL  45   4.096 -12.538  -1.151
  326   1HG2  VAL  45          1HG2      VAL  45   6.838 -12.057  -3.163
  327   2HG2  VAL  45          2HG2      VAL  45   6.768 -10.337  -2.776
  328   3HG2  VAL  45          3HG2      VAL  45   5.291 -11.209  -3.192
  329    H    GLY  46           H        GLY  46   6.380  -9.824   1.842
  330   2HA   GLY  46          1HA       GLY  46   5.730 -11.618   3.677
  331   1HA   GLY  46          2HA       GLY  46   4.109 -11.028   3.316
  332    H    HIS  47           H        HIS  47   4.945  -8.254   2.877
  333    HA   HIS  47           HA       HIS  47   5.365  -7.482   5.733
  334   1HB   HIS  47          1HB       HIS  47   7.131  -5.966   5.129
  335   2HB   HIS  47          2HB       HIS  47   6.818  -6.180   3.410
  336    HD1  HIS  47          1HD       HIS  47   8.569  -7.735   6.311
  337    HD2  HIS  47          2HD       HIS  47   7.744  -8.696   2.338
  338    HE1  HIS  47          1HE       HIS  47  10.049  -9.706   5.727
  339    H    THR  48           H        THR  48   4.449  -5.450   6.255
  340    HA   THR  48           HA       THR  48   2.445  -4.398   4.325
  341    HB   THR  48           HB       THR  48   2.568  -3.436   7.138
  342    HG1  THR  48          1HG       THR  48   2.779  -5.360   7.923
  343   1HG2  THR  48          1HG2      THR  48   0.225  -4.811   5.906
  344   2HG2  THR  48          2HG2      THR  48   0.721  -3.258   5.233
  345   3HG2  THR  48          3HG2      THR  48   0.271  -3.379   6.934
  346    H    ILE  49           H        ILE  49   4.177  -3.313   3.116
  347    HA   ILE  49           HA       ILE  49   5.915  -1.366   4.400
  348    HB   ILE  49           HB       ILE  49   5.176  -1.700   1.480
  349   1HG2  ILE  49          1HG2      ILE  49   6.442   0.360   2.090
  350   2HG2  ILE  49          2HG2      ILE  49   7.389  -0.731   1.079
  351   3HG2  ILE  49          3HG2      ILE  49   7.692  -0.650   2.815
  352   2HG1  ILE  49          1HG1      ILE  49   5.883  -3.853   2.478
  353   1HG1  ILE  49          2HG1      ILE  49   7.336  -3.083   3.109
  354   1HD1  ILE  49          1HD1      ILE  49   6.584  -3.609   0.240
  355   2HD1  ILE  49          2HD1      ILE  49   8.047  -4.085   1.099
  356   3HD1  ILE  49          3HD1      ILE  49   7.795  -2.398   0.660
  357    H    ALA  50           H        ALA  50   5.351   0.682   4.980
  358    HA   ALA  50           HA       ALA  50   2.819   1.828   4.072
  359   1HB   ALA  50          1HB       ALA  50   5.064   2.810   5.855
  360   2HB   ALA  50          2HB       ALA  50   3.510   2.153   6.371
  361   3HB   ALA  50          3HB       ALA  50   3.579   3.724   5.566
  362    H    VAL  51           H        VAL  51   3.499   1.731   1.801
  363    HA   VAL  51           HA       VAL  51   5.704   3.138   0.694
  364    HB   VAL  51           HB       VAL  51   4.418   2.998  -1.397
  365   1HG1  VAL  51          1HG1      VAL  51   5.347   0.915  -0.069
  366   2HG1  VAL  51          2HG1      VAL  51   4.364   0.681  -1.515
  367   3HG1  VAL  51          3HG1      VAL  51   3.637   0.510   0.082
  368   1HG2  VAL  51          1HG2      VAL  51   2.233   3.731  -0.736
  369   2HG2  VAL  51          2HG2      VAL  51   2.102   2.462   0.483
  370   3HG2  VAL  51          3HG2      VAL  51   2.050   2.047  -1.230
  371    H    TYR  52           H        TYR  52   6.127   5.289   0.639
  372    HA   TYR  52           HA       TYR  52   4.180   7.236   1.561
  373   2HB   TYR  52          1HB       TYR  52   6.818   7.743   0.156
  374   1HB   TYR  52          2HB       TYR  52   6.733   7.246   1.846
  375    HD1  TYR  52          1HD       TYR  52   4.983   8.645   3.309
  376    HE1  TYR  52          1HE       TYR  52   4.536  10.991   3.974
  377    HE2  TYR  52          2HE       TYR  52   6.373  12.362   0.341
  378    HD2  TYR  52          2HD       TYR  52   6.808  10.021  -0.313
  379    HH   TYR  52           HH       TYR  52   5.914  13.441   3.106
  380    H    ASN  53           H        ASN  53   2.457   7.571   0.190
  381    HA   ASN  53           HA       ASN  53   2.575   7.407  -2.691
  382   2HB   ASN  53          1HB       ASN  53   0.637   8.612  -0.695
  383   1HB   ASN  53          2HB       ASN  53   0.546   7.013  -1.430
  384   1HD2  ASN  53          1HD2      ASN  53  -0.148  10.419  -1.916
  385   2HD2  ASN  53          2HD2      ASN  53  -0.892  10.248  -3.432
  386    H    GLY  54           H        GLY  54   3.923   9.716  -0.697
  387   2HA   GLY  54          1HA       GLY  54   3.558  11.899  -2.708
  388   1HA   GLY  54          2HA       GLY  54   5.107  11.581  -1.916
  389    H    LYS  55           H        LYS  55   2.288  11.075  -0.020
  390    HA   LYS  55           HA       LYS  55   2.893  13.507   1.588
  391   2HB   LYS  55          1HB       LYS  55   1.051  14.262   0.345
  392   1HB   LYS  55          2HB       LYS  55   0.288  13.609   1.791
  393   2HG   LYS  55          1HG       LYS  55   0.234  11.373   0.377
  394   1HG   LYS  55          2HG       LYS  55   0.338  12.488  -0.986
  395   2HD   LYS  55          1HD       LYS  55  -1.671  13.625  -0.306
  396   1HD   LYS  55          2HD       LYS  55  -1.696  12.779   1.241
  397   2HE   LYS  55          1HE       LYS  55  -3.194  11.429   0.103
  398   1HE   LYS  55          2HE       LYS  55  -1.701  10.648  -0.450
  399   1HZ   LYS  55          1HZ       LYS  55  -3.171  12.861  -1.801
  400   2HZ   LYS  55          2HZ       LYS  55  -3.038  11.259  -2.350
  401   3HZ   LYS  55          3HZ       LYS  55  -1.667  12.262  -2.309
  402    H    GLN  56           H        GLN  56   1.546  10.238   1.405
  403    HA   GLN  56           HA       GLN  56   1.702  10.063   4.389
  404   1HB   GLN  56          1HB       GLN  56  -0.559  10.254   2.778
  405   2HB   GLN  56          2HB       GLN  56  -0.522   9.765   4.467
  406   1HG   GLN  56          1HG       GLN  56   0.185   7.532   2.777
  407   2HG   GLN  56          2HG       GLN  56  -1.342   8.224   2.255
  408   1HE2  GLN  56          1HE2      GLN  56   0.310   7.291   5.338
  409   2HE2  GLN  56          2HE2      GLN  56  -1.096   6.703   6.080
  410    H    HIS  57           H        HIS  57   2.081   7.958   5.227
  411    HA   HIS  57           HA       HIS  57   3.422   6.072   3.349
  412   1HB   HIS  57          1HB       HIS  57   4.654   5.402   5.222
  413   2HB   HIS  57          2HB       HIS  57   3.355   5.771   6.341
  414    HD1  HIS  57          1HD       HIS  57   6.273   7.329   4.586
  415    HD2  HIS  57          2HD       HIS  57   3.236   8.495   7.190
  416    HE1  HIS  57          1HE       HIS  57   6.895   9.633   5.434
  417    H    VAL  58           H        VAL  58   1.783   4.700   2.530
  418    HA   VAL  58           HA       VAL  58  -0.386   3.798   4.357
  419    HB   VAL  58           HB       VAL  58   0.119   3.265   1.407
  420   1HG1  VAL  58          1HG1      VAL  58  -2.561   3.260   2.766
  421   2HG1  VAL  58          2HG1      VAL  58  -1.530   1.834   2.880
  422   3HG1  VAL  58          3HG1      VAL  58  -2.054   2.419   1.301
  423   1HG2  VAL  58          1HG2      VAL  58  -0.079   5.671   1.801
  424   2HG2  VAL  58          2HG2      VAL  58  -1.519   5.418   2.787
  425   3HG2  VAL  58          3HG2      VAL  58  -1.566   5.081   1.057
  426    HA   PRO  59           HA       PRO  59   2.415   0.238   4.990
  427   2HB   PRO  59          1HB       PRO  59   2.246   0.574   7.284
  428   1HB   PRO  59          2HB       PRO  59   1.046  -0.731   7.169
  429   1HG   PRO  59          1HG       PRO  59   0.411   1.644   8.186
  430   2HG   PRO  59          2HG       PRO  59  -0.731   0.751   7.166
  431   2HD   PRO  59          1HD       PRO  59   0.977   3.115   6.498
  432   1HD   PRO  59          2HD       PRO  59  -0.681   2.737   5.981
  433    H    VAL  60           H        VAL  60   1.751  -0.752   3.125
  434    HA   VAL  60           HA       VAL  60  -0.838  -2.250   3.147
  435    HB   VAL  60           HB       VAL  60   1.063  -1.306   0.987
  436   1HG1  VAL  60          1HG1      VAL  60   0.066  -3.473   0.373
  437   2HG1  VAL  60          2HG1      VAL  60  -0.601  -2.164  -0.611
  438   3HG1  VAL  60          3HG1      VAL  60  -1.543  -2.831   0.722
  439   1HG2  VAL  60          1HG2      VAL  60  -1.765  -0.516   1.759
  440   2HG2  VAL  60          2HG2      VAL  60  -0.891   0.106   0.359
  441   3HG2  VAL  60          3HG2      VAL  60  -0.310   0.457   1.988
  442    H    TYR  61           H        TYR  61  -0.730  -4.436   3.414
  443    HA   TYR  61           HA       TYR  61   1.780  -5.901   3.422
  444   2HB   TYR  61          1HB       TYR  61  -0.904  -7.211   3.097
  445   1HB   TYR  61          2HB       TYR  61  -0.599  -6.295   4.574
  446    HD1  TYR  61          1HD       TYR  61   0.996  -8.892   2.379
  447    HE1  TYR  61          1HE       TYR  61   2.301 -10.790   3.281
  448    HE2  TYR  61          2HE       TYR  61   1.816  -9.229   7.256
  449    HD2  TYR  61          2HD       TYR  61   0.504  -7.334   6.352
  450    HH   TYR  61           HH       TYR  61   3.735 -10.859   6.098
  451    H    ILE  62           H        ILE  62   2.826  -6.139   1.498
  452    HA   ILE  62           HA       ILE  62   1.704  -5.889  -1.090
  453    HB   ILE  62           HB       ILE  62   4.206  -6.943   0.121
  454   1HG2  ILE  62          1HG2      ILE  62   3.342  -7.294  -2.745
  455   2HG2  ILE  62          2HG2      ILE  62   4.110  -8.471  -1.680
  456   3HG2  ILE  62          3HG2      ILE  62   5.047  -7.126  -2.327
  457   1HG1  ILE  62          1HG1      ILE  62   3.390  -4.674  -1.673
  458   2HG1  ILE  62          2HG1      ILE  62   5.079  -5.129  -1.471
  459   1HD1  ILE  62          1HD1      ILE  62   4.623  -4.952   1.062
  460   2HD1  ILE  62          2HD1      ILE  62   3.171  -4.070   0.589
  461   3HD1  ILE  62          3HD1      ILE  62   4.759  -3.456   0.137
  462    H    THR  63           H        THR  63   2.859  -8.938   0.380
  463    HA   THR  63           HA       THR  63   2.111 -11.158   0.105
  464    HB   THR  63           HB       THR  63  -0.239 -10.043  -1.437
  465    HG1  THR  63          1HG       THR  63  -0.811  -8.986   0.266
  466   1HG2  THR  63          1HG2      THR  63  -1.382 -11.907  -0.163
  467   2HG2  THR  63          2HG2      THR  63   0.214 -12.401   0.400
  468   3HG2  THR  63          3HG2      THR  63  -0.164 -12.438  -1.322
  469    H    GLU  64           H        GLU  64   1.989 -12.748  -1.747
  470    HA   GLU  64           HA       GLU  64   3.625 -11.811  -3.983
  471   2HB   GLU  64          1HB       GLU  64   2.214 -14.476  -3.596
  472   1HB   GLU  64          2HB       GLU  64   3.723 -14.059  -2.784
  473   1HG   GLU  64          1HG       GLU  64   3.391 -13.933  -5.793
  474   2HG   GLU  64          2HG       GLU  64   3.968 -15.373  -4.956
  475    H    ASN  65           H        ASN  65   1.567 -10.205  -4.387
  476    HA   ASN  65           HA       ASN  65   0.336 -11.073  -6.861
  477   2HB   ASN  65          1HB       ASN  65  -1.720 -10.631  -4.751
  478   1HB   ASN  65          2HB       ASN  65  -0.847 -12.164  -4.709
  479   1HD2  ASN  65          1HD2      ASN  65  -3.021 -10.156  -6.695
  480   2HD2  ASN  65          2HD2      ASN  65  -3.470 -11.399  -7.760
  481    H    MET  66           H        MET  66   0.435  -8.683  -4.209
  482    HA   MET  66           HA       MET  66  -0.983  -6.689  -5.919
  483   1HB   MET  66          1HB       MET  66  -1.119  -5.447  -3.871
  484   2HB   MET  66          2HB       MET  66   0.085  -6.479  -3.104
  485   2HG   MET  66          1HG       MET  66  -2.163  -7.116  -2.357
  486   1HG   MET  66          2HG       MET  66  -1.468  -8.412  -3.331
  487   1HE   MET  66          1HE       MET  66  -4.899  -7.591  -2.780
  488   2HE   MET  66          2HE       MET  66  -5.260  -6.197  -3.794
  489   3HE   MET  66          3HE       MET  66  -4.003  -6.080  -2.566
  490    H    VAL  67           H        VAL  67   2.149  -7.717  -5.812
  491    HA   VAL  67           HA       VAL  67   3.471  -5.080  -5.643
  492    HB   VAL  67           HB       VAL  67   4.498  -7.092  -4.683
  493   1HG1  VAL  67          1HG1      VAL  67   4.010  -8.129  -7.452
  494   2HG1  VAL  67          2HG1      VAL  67   3.816  -8.947  -5.901
  495   3HG1  VAL  67          3HG1      VAL  67   5.427  -8.714  -6.580
  496   1HG2  VAL  67          1HG2      VAL  67   6.700  -6.936  -5.794
  497   2HG2  VAL  67          2HG2      VAL  67   5.980  -5.338  -5.595
  498   3HG2  VAL  67          3HG2      VAL  67   5.948  -6.129  -7.169
  499    H    GLY  68           H        GLY  68   4.943  -4.369  -7.402
  500   2HA   GLY  68          1HA       GLY  68   4.095  -5.247 -10.126
  501   1HA   GLY  68          2HA       GLY  68   5.662  -4.541  -9.740
  502    H    HIS  69           H        HIS  69   3.028  -2.970  -8.165
  503    HA   HIS  69           HA       HIS  69   3.020  -0.883 -10.313
  504   2HB   HIS  69          1HB       HIS  69   0.735  -0.391  -9.372
  505   1HB   HIS  69          2HB       HIS  69   0.902  -1.795  -8.326
  506    HD1  HIS  69          1HD       HIS  69  -0.678  -0.985 -11.333
  507    HD2  HIS  69          2HD       HIS  69   1.875  -4.117 -10.289
  508    HE1  HIS  69          1HE       HIS  69  -1.055  -2.817 -13.040
  509    H    LYS  70           H        LYS  70   1.643  -0.492  -7.122
  510    HA   LYS  70           HA       LYS  70   3.753   0.815  -5.746
  511   1HB   LYS  70          1HB       LYS  70   3.458   2.301  -7.811
  512   2HB   LYS  70          2HB       LYS  70   3.360   3.128  -6.258
  513   2HG   LYS  70          1HG       LYS  70   1.484   3.938  -7.412
  514   1HG   LYS  70          2HG       LYS  70   0.832   2.644  -6.417
  515   2HD   LYS  70          1HD       LYS  70   0.321   1.338  -8.206
  516   1HD   LYS  70          2HD       LYS  70   1.802   1.775  -9.062
  517   1HE   LYS  70          1HE       LYS  70  -0.253   3.923  -8.757
  518   2HE   LYS  70          2HE       LYS  70  -0.610   2.617  -9.903
  519   1HZ   LYS  70          1HZ       LYS  70   1.919   4.194  -9.787
  520   2HZ   LYS  70          2HZ       LYS  70   0.690   4.400 -10.941
  521   3HZ   LYS  70          3HZ       LYS  70   1.577   2.953 -10.894
  522    H    LEU  71           H        LEU  71   0.403   0.594  -6.468
  523    HA   LEU  71           HA       LEU  71  -0.563   0.035  -3.856
  524   1HB   LEU  71          1HB       LEU  71   0.204   2.473  -3.659
  525   2HB   LEU  71          2HB       LEU  71  -1.456   2.152  -3.169
  526    HG   LEU  71           HG       LEU  71  -1.076   2.821  -6.036
  527   1HD1  LEU  71          1HD1      LEU  71  -3.136   4.105  -5.606
  528   2HD1  LEU  71          2HD1      LEU  71  -2.982   3.786  -3.879
  529   3HD1  LEU  71          3HD1      LEU  71  -3.296   2.457  -4.997
  530   1HD2  LEU  71          1HD2      LEU  71  -0.944   5.019  -3.961
  531   2HD2  LEU  71          2HD2      LEU  71  -0.702   5.153  -5.703
  532   3HD2  LEU  71          3HD2      LEU  71   0.506   4.345  -4.704
  533    H    GLY  72           H        GLY  72  -1.126   0.936  -7.199
  534   2HA   GLY  72          1HA       GLY  72  -2.988   0.743  -8.601
  535   1HA   GLY  72          2HA       GLY  72  -4.008   0.875  -7.170
  536    H    GLU  73           H        GLU  73  -1.636  -1.599  -6.988
  537    HA   GLU  73           HA       GLU  73  -3.221  -3.749  -8.202
  538   2HB   GLU  73          1HB       GLU  73  -1.391  -5.048  -6.800
  539   1HB   GLU  73          2HB       GLU  73  -0.681  -3.444  -6.613
  540   2HG   GLU  73          1HG       GLU  73   0.330  -3.932  -8.588
  541   1HG   GLU  73          2HG       GLU  73  -1.220  -3.460  -9.284
  542    H    PHE  74           H        PHE  74  -2.932  -2.129  -5.180
  543    HA   PHE  74           HA       PHE  74  -4.361  -4.233  -3.657
  544   1HB   PHE  74          1HB       PHE  74  -3.679  -2.969  -1.742
  545   2HB   PHE  74          2HB       PHE  74  -3.407  -1.522  -2.704
  546    HD1  PHE  74          1HD       PHE  74  -1.926  -4.543  -1.387
  547    HE1  PHE  74          1HE       PHE  74   0.468  -5.107  -1.610
  548    HZ   PHE  74           HZ       PHE  74   1.884  -3.889  -3.242
  549    HE2  PHE  74          2HE       PHE  74   0.900  -2.100  -4.625
  550    HD2  PHE  74          2HD       PHE  74  -1.471  -1.525  -4.403
  551    H    ALA  75           H        ALA  75  -4.819  -1.143  -5.243
  552    HA   ALA  75           HA       ALA  75  -7.670  -1.116  -4.309
  553   1HB   ALA  75          1HB       ALA  75  -7.349   1.424  -4.405
  554   2HB   ALA  75          2HB       ALA  75  -5.620   1.102  -4.561
  555   3HB   ALA  75          3HB       ALA  75  -6.485   0.595  -3.109
  556    HA   PRO  76           HA       PRO  76  -7.214  -0.640  -8.940
  557   2HB   PRO  76          1HB       PRO  76  -6.095  -2.609  -9.415
  558   1HB   PRO  76          2HB       PRO  76  -7.725  -3.190  -9.794
  559   1HG   PRO  76          1HG       PRO  76  -6.059  -4.246  -7.866
  560   2HG   PRO  76          2HG       PRO  76  -7.814  -4.451  -7.919
  561   2HD   PRO  76          1HD       PRO  76  -6.229  -3.010  -6.005
  562   1HD   PRO  76          2HD       PRO  76  -7.985  -3.267  -6.008
  563    H    THR  77           H        THR  77  -9.357  -0.004  -7.297
  564    HA   THR  77           HA       THR  77 -11.687  -0.900  -8.938
  565    HB   THR  77           HB       THR  77 -11.539  -0.834  -5.905
  566    HG1  THR  77          1HG       THR  77 -10.679  -2.715  -6.314
  567   1HG2  THR  77          1HG2      THR  77 -13.793  -1.943  -6.104
  568   2HG2  THR  77          2HG2      THR  77 -13.765  -1.561  -7.826
  569   3HG2  THR  77          3HG2      THR  77 -13.767  -0.260  -6.634
  570    H    ARG  78           H        ARG  78 -10.859   1.214  -6.170
  571    HA   ARG  78           HA       ARG  78 -12.701   3.305  -7.197
  572   2HB   ARG  78          1HB       ARG  78 -11.787   4.343  -4.942
  573   1HB   ARG  78          2HB       ARG  78 -11.208   2.701  -4.658
  574   1HG   ARG  78          1HG       ARG  78 -14.009   2.930  -5.614
  575   2HG   ARG  78          2HG       ARG  78 -13.705   3.549  -3.990
  576   1HD   ARG  78          1HD       ARG  78 -12.586   0.859  -4.751
  577   2HD   ARG  78          2HD       ARG  78 -14.300   0.996  -4.310
  578    HE   ARG  78           HE       ARG  78 -12.073   1.985  -2.549
  579   1HH1  ARG  78          1HH1      ARG  78 -12.723  -0.558  -1.555
  580   2HH1  ARG  78          2HH1      ARG  78 -14.123  -0.335  -0.558
  581   1HH2  ARG  78          1HH2      ARG  78 -14.932   2.755  -1.927
  582   2HH2  ARG  78          2HH2      ARG  78 -15.376   1.546  -0.769
  583    H    THR  79           H        THR  79 -11.939   5.017  -8.370
  584    HA   THR  79           HA       THR  79  -9.059   5.793  -8.100
  585    HB   THR  79           HB       THR  79  -9.456   4.270 -10.047
  586    HG1  THR  79          1HG       THR  79  -7.884   5.449 -10.744
  587   1HG2  THR  79          1HG2      THR  79 -11.085   6.517 -11.243
  588   2HG2  THR  79          2HG2      THR  79 -11.840   5.164 -10.399
  589   3HG2  THR  79          3HG2      THR  79 -10.881   4.873 -11.850
  590    H    TYR  80           H        TYR  80 -11.338   7.090  -6.906
  591    HA   TYR  80           HA       TYR  80 -12.290   9.234  -6.677
  592   2HB   TYR  80          1HB       TYR  80 -10.327  10.387  -8.586
  593   1HB   TYR  80          2HB       TYR  80  -9.638   9.465  -7.251
  594    HD1  TYR  80          1HD       TYR  80  -9.743  10.269  -4.985
  595    HE1  TYR  80          1HE       TYR  80 -10.141  12.182  -3.460
  596    HE2  TYR  80          2HE       TYR  80 -12.200  14.262  -6.604
  597    HD2  TYR  80          2HD       TYR  80 -11.801  12.348  -8.130
  598    HH   TYR  80           HH       TYR  80 -12.249  14.258  -3.627

  No H/Q in entry =         598
  Start of MODEL   21
    1    H    GLY   8           H        GLY   8   5.110  -0.070 -10.115
    2   2HA   GLY   8          1HA       GLY   8   4.991   2.336  -9.818
    3   1HA   GLY   8          2HA       GLY   8   4.278   2.073 -11.410
    4    H    VAL   9           H        VAL   9   6.708   3.705  -9.739
    5    HA   VAL   9           HA       VAL   9   8.170   4.271 -12.299
    6    HB   VAL   9           HB       VAL   9   7.541   6.021  -9.897
    7   1HG1  VAL   9          1HG1      VAL   9   8.463   7.840 -11.424
    8   2HG1  VAL   9          2HG1      VAL   9   9.119   6.546 -12.427
    9   3HG1  VAL   9          3HG1      VAL   9   9.662   6.732 -10.759
   10   1HG2  VAL   9          1HG2      VAL   9   5.586   5.668 -11.295
   11   2HG2  VAL   9          2HG2      VAL   9   6.523   5.983 -12.755
   12   3HG2  VAL   9          3HG2      VAL   9   6.205   7.289 -11.613
   13    H    PHE  10           H        PHE  10   8.790   4.853  -8.823
   14    HA   PHE  10           HA       PHE  10  11.449   3.512  -9.156
   15   2HB   PHE  10          1HB       PHE  10  10.673   6.220  -8.451
   16   1HB   PHE  10          2HB       PHE  10  12.276   5.585  -8.783
   17    HD1  PHE  10          1HD       PHE  10  13.752   4.823  -6.957
   18    HE1  PHE  10          1HE       PHE  10  14.315   5.048  -4.557
   19    HZ   PHE  10           HZ       PHE  10  12.632   5.907  -2.954
   20    HE2  PHE  10          2HE       PHE  10  10.367   6.544  -3.759
   21    HD2  PHE  10          2HD       PHE  10   9.800   6.329  -6.162
   22    H    VAL  11           H        VAL  11  12.017   2.090  -7.515
   23    HA   VAL  11           HA       VAL  11   9.978   1.616  -5.386
   24    HB   VAL  11           HB       VAL  11  10.590  -0.236  -6.953
   25   1HG1  VAL  11          1HG1      VAL  11  13.109   0.686  -6.915
   26   2HG1  VAL  11          2HG1      VAL  11  12.739  -1.002  -7.263
   27   3HG1  VAL  11          3HG1      VAL  11  13.257  -0.530  -5.646
   28   1HG2  VAL  11          1HG2      VAL  11  10.911  -0.323  -4.014
   29   2HG2  VAL  11          2HG2      VAL  11  11.581  -1.710  -4.876
   30   3HG2  VAL  11          3HG2      VAL  11   9.878  -1.291  -5.068
   31    H    ASP  12           H        ASP  12  10.509   2.789  -3.576
   32    HA   ASP  12           HA       ASP  12  12.890   3.999  -2.907
   33   2HB   ASP  12          1HB       ASP  12  11.099   2.624  -0.901
   34   1HB   ASP  12          2HB       ASP  12  10.631   4.094  -1.756
   35    H    ASP  13           H        ASP  13  14.871   3.075  -2.970
   36    HA   ASP  13           HA       ASP  13  15.456   0.337  -2.398
   37   2HB   ASP  13          1HB       ASP  13  17.397   2.637  -2.233
   38   1HB   ASP  13          2HB       ASP  13  16.684   2.184  -3.783
   39    H    HIS  14           H        HIS  14  15.140   3.226  -0.486
   40    HA   HIS  14           HA       HIS  14  16.638   2.408   1.824
   41   2HB   HIS  14          1HB       HIS  14  14.377   4.187   2.309
   42   1HB   HIS  14          2HB       HIS  14  15.248   4.645   0.844
   43    HD1  HIS  14          1HD       HIS  14  15.397   4.908   4.479
   44    HD2  HIS  14          2HD       HIS  14  18.179   4.953   1.375
   45    HE1  HIS  14          1HE       HIS  14  17.526   5.888   5.439
   46    H    LEU  15           H        LEU  15  13.358   1.818   0.703
   47    HA   LEU  15           HA       LEU  15  12.413   0.735   3.256
   48   1HB   LEU  15          1HB       LEU  15  11.309   1.826   0.970
   49   2HB   LEU  15          2HB       LEU  15  10.398   0.969   2.203
   50    HG   LEU  15           HG       LEU  15  11.686  -0.573  -0.031
   51   1HD1  LEU  15          1HD1      LEU  15   9.331  -1.738   0.461
   52   2HD1  LEU  15          2HD1      LEU  15   9.551  -0.930   2.012
   53   3HD1  LEU  15          3HD1      LEU  15  10.758  -2.081   1.437
   54   1HD2  LEU  15          1HD2      LEU  15   9.242  -0.316  -1.030
   55   2HD2  LEU  15          2HD2      LEU  15  10.493   0.869  -1.404
   56   3HD2  LEU  15          3HD2      LEU  15   9.290   1.218  -0.163
   57    H    LEU  16           H        LEU  16  13.621  -0.457   0.161
   58    HA   LEU  16           HA       LEU  16  13.251  -3.253   0.560
   59   2HB   LEU  16          1HB       LEU  16  15.429  -3.110  -1.031
   60   1HB   LEU  16          2HB       LEU  16  14.873  -1.437  -1.147
   61    HG   LEU  16           HG       LEU  16  12.898  -3.665  -1.405
   62   1HD1  LEU  16          1HD1      LEU  16  12.946  -1.177  -3.046
   63   2HD1  LEU  16          2HD1      LEU  16  12.594  -1.034  -1.325
   64   3HD1  LEU  16          3HD1      LEU  16  11.573  -2.039  -2.349
   65   1HD2  LEU  16          1HD2      LEU  16  13.499  -4.236  -3.547
   66   2HD2  LEU  16          2HD2      LEU  16  15.100  -3.766  -2.977
   67   3HD2  LEU  16          3HD2      LEU  16  14.126  -2.627  -3.907
   68    H    GLU  17           H        GLU  17  15.894  -1.025   1.367
   69    HA   GLU  17           HA       GLU  17  17.847  -2.865   2.278
   70   1HB   GLU  17          1HB       GLU  17  17.478  -0.115   2.126
   71   2HB   GLU  17          2HB       GLU  17  18.907  -0.917   2.769
   72   2HG   GLU  17          1HG       GLU  17  17.948  -0.866   5.027
   73   1HG   GLU  17          2HG       GLU  17  16.475  -0.125   4.401
   74    H    LYS  18           H        LYS  18  14.816  -1.902   3.735
   75    HA   LYS  18           HA       LYS  18  15.536  -3.112   6.358
   76   2HB   LYS  18          1HB       LYS  18  13.180  -2.177   6.855
   77   1HB   LYS  18          2HB       LYS  18  13.273  -1.435   5.260
   78   2HG   LYS  18          1HG       LYS  18  14.291   0.284   6.345
   79   1HG   LYS  18          2HG       LYS  18  15.712  -0.760   6.340
   80   2HD   LYS  18          1HD       LYS  18  15.183  -1.597   8.547
   81   1HD   LYS  18          2HD       LYS  18  13.623  -0.774   8.538
   82   1HE   LYS  18          1HE       LYS  18  16.076   0.898   8.117
   83   2HE   LYS  18          2HE       LYS  18  15.735   0.316   9.759
   84   1HZ   LYS  18          1HZ       LYS  18  14.597   2.421   9.296
   85   2HZ   LYS  18          2HZ       LYS  18  13.475   1.168   9.539
   86   3HZ   LYS  18          3HZ       LYS  18  13.808   1.722   7.967
   87    H    VAL  19           H        VAL  19  13.439  -3.635   3.534
   88    HA   VAL  19           HA       VAL  19  11.852  -5.755   4.708
   89    HB   VAL  19           HB       VAL  19  11.518  -4.217   2.611
   90   1HG1  VAL  19          1HG1      VAL  19  13.535  -4.928   1.415
   91   2HG1  VAL  19          2HG1      VAL  19  12.097  -5.364   0.494
   92   3HG1  VAL  19          3HG1      VAL  19  12.962  -6.595   1.412
   93   1HG2  VAL  19          1HG2      VAL  19   9.666  -5.511   2.807
   94   2HG2  VAL  19          2HG2      VAL  19  10.615  -6.915   3.305
   95   3HG2  VAL  19          3HG2      VAL  19  10.413  -6.547   1.589
   96    H    LEU  20           H        LEU  20  14.840  -5.716   2.772
   97    HA   LEU  20           HA       LEU  20  15.030  -8.552   2.368
   98   1HB   LEU  20          1HB       LEU  20  16.318  -6.745   1.167
   99   2HB   LEU  20          2HB       LEU  20  17.335  -8.052   1.763
  100    HG   LEU  20           HG       LEU  20  16.904  -5.707   3.567
  101   1HD1  LEU  20          1HD1      LEU  20  18.333  -7.212   4.580
  102   2HD1  LEU  20          2HD1      LEU  20  19.522  -6.284   3.669
  103   3HD1  LEU  20          3HD1      LEU  20  18.942  -7.827   3.044
  104   1HD2  LEU  20          1HD2      LEU  20  18.720  -4.468   2.445
  105   2HD2  LEU  20          2HD2      LEU  20  17.346  -4.683   1.358
  106   3HD2  LEU  20          3HD2      LEU  20  18.779  -5.696   1.179
  107    H    GLU  21           H        GLU  21  15.706  -6.428   5.054
  108    HA   GLU  21           HA       GLU  21  17.275  -8.317   6.585
  109   2HB   GLU  21          1HB       GLU  21  16.397  -6.596   8.415
  110   1HB   GLU  21          2HB       GLU  21  15.894  -5.692   6.990
  111   2HG   GLU  21          1HG       GLU  21  18.175  -5.707   6.127
  112   1HG   GLU  21          2HG       GLU  21  18.704  -6.737   7.458
  113    H    LEU  22           H        LEU  22  13.851  -7.497   6.207
  114    HA   LEU  22           HA       LEU  22  12.918  -9.109   8.457
  115   2HB   LEU  22          1HB       LEU  22  10.707  -8.678   7.282
  116   1HB   LEU  22          2HB       LEU  22  11.614  -7.889   5.996
  117    HG   LEU  22           HG       LEU  22  12.007  -6.017   7.241
  118   1HD1  LEU  22          1HD1      LEU  22   9.594  -6.242   7.363
  119   2HD1  LEU  22          2HD1      LEU  22  10.175  -5.587   8.893
  120   3HD1  LEU  22          3HD1      LEU  22   9.725  -7.289   8.777
  121   1HD2  LEU  22          1HD2      LEU  22  12.235  -7.893   9.605
  122   2HD2  LEU  22          2HD2      LEU  22  12.227  -6.142   9.806
  123   3HD2  LEU  22          3HD2      LEU  22  13.502  -6.915   8.864
  124    H    ASN  23           H        ASN  23  13.649  -9.638   5.066
  125    HA   ASN  23           HA       ASN  23  12.330 -12.276   4.959
  126   2HB   ASN  23          1HB       ASN  23  13.656 -12.246   2.718
  127   1HB   ASN  23          2HB       ASN  23  14.058 -10.583   3.144
  128   1HD2  ASN  23          1HD2      ASN  23  12.524  -9.028   2.543
  129   2HD2  ASN  23          2HD2      ASN  23  10.914  -9.367   2.129
  130    H    ALA  24           H        ALA  24  15.307 -11.010   6.097
  131    HA   ALA  24           HA       ALA  24  16.926 -13.377   5.617
  132   1HB   ALA  24          1HB       ALA  24  17.881 -11.125   5.572
  133   2HB   ALA  24          2HB       ALA  24  18.573 -12.019   6.926
  134   3HB   ALA  24          3HB       ALA  24  17.302 -10.830   7.211
  135    H    LYS  25           H        LYS  25  15.257 -11.794   8.350
  136    HA   LYS  25           HA       LYS  25  16.019 -14.058  10.117
  137   1HB   LYS  25          1HB       LYS  25  15.802 -11.284  10.414
  138   2HB   LYS  25          2HB       LYS  25  16.039 -12.447  11.711
  139   1HG   LYS  25          1HG       LYS  25  13.246 -11.957  10.738
  140   2HG   LYS  25          2HG       LYS  25  14.005 -10.749  11.771
  141   2HD   LYS  25          1HD       LYS  25  14.094 -12.165  13.595
  142   1HD   LYS  25          2HD       LYS  25  14.212 -13.614  12.600
  143   2HE   LYS  25          1HE       LYS  25  11.699 -12.557  11.953
  144   1HE   LYS  25          2HE       LYS  25  11.831 -12.331  13.708
  145   1HZ   LYS  25          1HZ       LYS  25  12.567 -14.646  13.884
  146   2HZ   LYS  25          2HZ       LYS  25  12.387 -14.846  12.206
  147   3HZ   LYS  25          3HZ       LYS  25  11.027 -14.554  13.181
  148    H    GLY  26           H        GLY  26  13.284 -12.674   8.427
  149   2HA   GLY  26          1HA       GLY  26  11.605 -14.951   9.388
  150   1HA   GLY  26          2HA       GLY  26  11.376 -14.103   7.858
  151    H    GLU  27           H        GLU  27  11.812 -11.453   9.246
  152    HA   GLU  27           HA       GLU  27   9.602 -11.214  11.172
  153   2HB   GLU  27          1HB       GLU  27  10.353  -8.675  10.471
  154   1HB   GLU  27          2HB       GLU  27  11.797  -9.588  10.033
  155   2HG   GLU  27          1HG       GLU  27  11.929 -10.525  12.281
  156   1HG   GLU  27          2HG       GLU  27  10.412  -9.744  12.729
  157    H    LYS  28           H        LYS  28   7.506 -10.726  10.629
  158    HA   LYS  28           HA       LYS  28   6.940  -9.843   7.818
  159   2HB   LYS  28          1HB       LYS  28   4.622 -10.873   8.585
  160   1HB   LYS  28          2HB       LYS  28   5.613 -11.665   9.809
  161   2HG   LYS  28          1HG       LYS  28   7.017 -12.662   8.092
  162   1HG   LYS  28          2HG       LYS  28   6.178 -11.760   6.830
  163   2HD   LYS  28          1HD       LYS  28   4.100 -12.952   7.313
  164   1HD   LYS  28          2HD       LYS  28   4.864 -13.787   8.667
  165   2HE   LYS  28          1HE       LYS  28   6.533 -14.743   6.997
  166   1HE   LYS  28          2HE       LYS  28   5.502 -14.084   5.712
  167   1HZ   LYS  28          1HZ       LYS  28   4.619 -15.910   7.896
  168   2HZ   LYS  28          2HZ       LYS  28   4.875 -16.366   6.279
  169   3HZ   LYS  28          3HZ       LYS  28   3.625 -15.283   6.671
  170    H    ARG  29           H        ARG  29   7.595  -7.722   9.262
  171    HA   ARG  29           HA       ARG  29   5.158  -6.648  10.596
  172   2HB   ARG  29          1HB       ARG  29   7.656  -5.065  10.571
  173   1HB   ARG  29          2HB       ARG  29   7.842  -6.683  11.231
  174   2HG   ARG  29          1HG       ARG  29   7.216  -5.455  13.123
  175   1HG   ARG  29          2HG       ARG  29   5.679  -6.129  12.585
  176   2HD   ARG  29          1HD       ARG  29   5.192  -3.995  11.384
  177   1HD   ARG  29          2HD       ARG  29   6.709  -3.323  12.015
  178    HE   ARG  29           HE       ARG  29   5.770  -3.529  14.279
  179   1HH1  ARG  29          1HH1      ARG  29   3.872  -5.771  13.914
  180   2HH1  ARG  29          2HH1      ARG  29   2.335  -4.973  13.866
  181   1HH2  ARG  29          1HH2      ARG  29   3.688  -1.832  13.248
  182   2HH2  ARG  29          2HH2      ARG  29   2.230  -2.738  13.489
  183    H    LEU  30           H        LEU  30   6.493  -3.874   9.881
  184    HA   LEU  30           HA       LEU  30   5.524  -3.717   7.064
  185   1HB   LEU  30          1HB       LEU  30   4.084  -2.973   9.233
  186   2HB   LEU  30          2HB       LEU  30   3.944  -2.158   7.686
  187    HG   LEU  30           HG       LEU  30   6.148  -1.067   9.237
  188   1HD1  LEU  30          1HD1      LEU  30   4.977   1.033   8.726
  189   2HD1  LEU  30          2HD1      LEU  30   3.555   0.125   8.212
  190   3HD1  LEU  30          3HD1      LEU  30   5.055   0.010   7.292
  191   1HD2  LEU  30          1HD2      LEU  30   4.474  -1.907  11.034
  192   2HD2  LEU  30          2HD2      LEU  30   3.417  -0.624  10.442
  193   3HD2  LEU  30          3HD2      LEU  30   4.995  -0.225  11.121
  194    H    ILE  31           H        ILE  31   6.484  -1.988   5.826
  195    HA   ILE  31           HA       ILE  31   8.917  -0.709   7.035
  196    HB   ILE  31           HB       ILE  31   8.519  -2.042   4.332
  197   1HG2  ILE  31          1HG2      ILE  31   9.882   0.206   4.427
  198   2HG2  ILE  31          2HG2      ILE  31  10.579  -1.181   3.587
  199   3HG2  ILE  31          3HG2      ILE  31  11.107  -0.782   5.222
  200   2HG1  ILE  31          1HG1      ILE  31   9.370  -3.029   6.804
  201   1HG1  ILE  31          2HG1      ILE  31  10.868  -2.740   5.919
  202   1HD1  ILE  31          1HD1      ILE  31  10.045  -5.007   5.467
  203   2HD1  ILE  31          2HD1      ILE  31   9.951  -4.028   4.004
  204   3HD1  ILE  31          3HD1      ILE  31   8.493  -4.355   4.939
  205    H    LYS  32           H        LYS  32   8.634   1.472   6.983
  206    HA   LYS  32           HA       LYS  32   6.699   2.638   5.039
  207   2HB   LYS  32          1HB       LYS  32   6.209   3.208   7.292
  208   1HB   LYS  32          2HB       LYS  32   6.970   4.647   6.621
  209   2HG   LYS  32          1HG       LYS  32   8.269   4.515   8.493
  210   1HG   LYS  32          2HG       LYS  32   9.163   3.323   7.552
  211   2HD   LYS  32          1HD       LYS  32   8.736   1.970   9.346
  212   1HD   LYS  32          2HD       LYS  32   7.166   1.765   8.570
  213   2HE   LYS  32          1HE       LYS  32   6.352   3.765   9.914
  214   1HE   LYS  32          2HE       LYS  32   7.883   3.695  10.808
  215   1HZ   LYS  32          1HZ       LYS  32   7.396   1.316  11.236
  216   2HZ   LYS  32          2HZ       LYS  32   5.873   1.516  10.508
  217   3HZ   LYS  32          3HZ       LYS  32   6.251   2.352  11.937
  218    H    THR  33           H        THR  33   7.239   4.671   3.972
  219    HA   THR  33           HA       THR  33  10.160   5.208   3.599
  220    HB   THR  33           HB       THR  33   8.047   4.498   1.542
  221    HG1  THR  33          1HG       THR  33  10.594   3.440   2.202
  222   1HG2  THR  33          1HG2      THR  33  10.746   5.801   1.184
  223   2HG2  THR  33          2HG2      THR  33   9.188   6.316   0.540
  224   3HG2  THR  33          3HG2      THR  33   9.972   4.876  -0.102
  225    H    TRP  34           H        TRP  34  10.437   7.328   2.312
  226    HA   TRP  34           HA       TRP  34   8.107   9.185   2.520
  227   1HB   TRP  34          1HB       TRP  34   9.488  10.780   3.781
  228   2HB   TRP  34          2HB       TRP  34  10.856   9.672   3.716
  229    HD1  TRP  34           HD       TRP  34   7.482  10.178   5.394
  230    HE3  TRP  34          3HE       TRP  34  11.662   7.377   4.628
  231    HE1  TRP  34          1HE       TRP  34   7.308   8.574   7.409
  232    HZ3  TRP  34          3HZ       TRP  34  12.254   5.534   6.181
  233    HZ2  TRP  34          2HZ       TRP  34   8.764   6.380   8.541
  234    HH2  TRP  34           HH       TRP  34  10.808   5.031   8.132
  235    H    SER  35           H        SER  35   9.408   8.066   0.164
  236    HA   SER  35           HA       SER  35  11.119  10.245  -0.889
  237   2HB   SER  35          1HB       SER  35  10.191   7.633  -2.129
  238   1HB   SER  35          2HB       SER  35  11.656   7.820  -1.171
  239    HG   SER  35           HG       SER  35  11.070   8.808  -3.719
  240    H    ARG  36           H        ARG  36   8.913   8.547  -3.046
  241    HA   ARG  36           HA       ARG  36   6.893  10.653  -3.124
  242   2HB   ARG  36          1HB       ARG  36   8.780  10.466  -5.483
  243   1HB   ARG  36          2HB       ARG  36   9.065  11.588  -4.153
  244   2HG   ARG  36          1HG       ARG  36   6.749  12.503  -4.530
  245   1HG   ARG  36          2HG       ARG  36   6.631  11.481  -5.962
  246   2HD   ARG  36          1HD       ARG  36   7.473  13.386  -6.979
  247   1HD   ARG  36          2HD       ARG  36   9.018  12.689  -6.452
  248    HE   ARG  36           HE       ARG  36   7.525  14.868  -5.059
  249   1HH1  ARG  36          1HH1      ARG  36  10.322  15.230  -6.101
  250   2HH1  ARG  36          2HH1      ARG  36  11.270  15.031  -4.665
  251   1HH2  ARG  36          1HH2      ARG  36   8.704  13.539  -2.859
  252   2HH2  ARG  36          2HH2      ARG  36  10.352  14.071  -2.825
  253    H    ARG  37           H        ARG  37   8.471   8.421  -5.476
  254    HA   ARG  37           HA       ARG  37   5.760   7.387  -6.207
  255   2HB   ARG  37          1HB       ARG  37   7.036   6.541  -8.206
  256   1HB   ARG  37          2HB       ARG  37   8.491   7.275  -7.532
  257   1HG   ARG  37          1HG       ARG  37   6.310   9.179  -7.526
  258   2HG   ARG  37          2HG       ARG  37   6.541   8.524  -9.148
  259   2HD   ARG  37          1HD       ARG  37   8.875   9.179  -9.153
  260   1HD   ARG  37          2HD       ARG  37   8.804   9.618  -7.434
  261    HE   ARG  37           HE       ARG  37   7.020  11.326  -8.196
  262   1HH1  ARG  37          1HH1      ARG  37   7.077  10.515 -11.091
  263   2HH1  ARG  37          2HH1      ARG  37   8.139  11.700 -11.776
  264   1HH2  ARG  37          1HH2      ARG  37   9.442  12.691  -8.710
  265   2HH2  ARG  37          2HH2      ARG  37   9.481  12.936 -10.425
  266    H    SER  38           H        SER  38   7.088   6.536  -3.743
  267    HA   SER  38           HA       SER  38   8.548   4.222  -3.611
  268   2HB   SER  38          1HB       SER  38   6.551   3.742  -1.796
  269   1HB   SER  38          2HB       SER  38   6.308   5.458  -2.132
  270    HG   SER  38           HG       SER  38   8.261   5.929  -1.400
  271    H    THR  39           H        THR  39   8.400   2.277  -4.634
  272    HA   THR  39           HA       THR  39   5.683   1.230  -5.366
  273    HB   THR  39           HB       THR  39   8.370   0.935  -6.752
  274    HG1  THR  39          1HG       THR  39   5.975   2.260  -7.508
  275   1HG2  THR  39          1HG2      THR  39   5.706  -0.383  -7.137
  276   2HG2  THR  39          2HG2      THR  39   7.327  -1.060  -7.309
  277   3HG2  THR  39          3HG2      THR  39   6.674  -0.005  -8.562
  278    H    ILE  40           H        ILE  40   5.489  -1.141  -5.309
  279    HA   ILE  40           HA       ILE  40   6.959  -2.322  -3.032
  280    HB   ILE  40           HB       ILE  40   4.750  -3.299  -4.865
  281   1HG2  ILE  40          1HG2      ILE  40   4.358  -5.049  -3.206
  282   2HG2  ILE  40          2HG2      ILE  40   5.726  -4.478  -2.252
  283   3HG2  ILE  40          3HG2      ILE  40   5.990  -5.182  -3.847
  284   1HG1  ILE  40          1HG1      ILE  40   4.865  -1.792  -2.288
  285   2HG1  ILE  40          2HG1      ILE  40   3.567  -2.969  -2.489
  286   1HD1  ILE  40          1HD1      ILE  40   4.085  -0.435  -3.981
  287   2HD1  ILE  40          2HD1      ILE  40   2.557  -1.118  -3.427
  288   3HD1  ILE  40          3HD1      ILE  40   3.348  -1.774  -4.864
  289    H    VAL  41           H        VAL  41   7.722  -4.629  -3.265
  290    HA   VAL  41           HA       VAL  41   8.884  -5.316  -5.939
  291    HB   VAL  41           HB       VAL  41  10.773  -6.009  -3.909
  292   1HG1  VAL  41          1HG1      VAL  41  10.870  -5.170  -6.449
  293   2HG1  VAL  41          2HG1      VAL  41  12.253  -4.997  -5.368
  294   3HG1  VAL  41          3HG1      VAL  41  11.191  -3.621  -5.668
  295   1HG2  VAL  41          1HG2      VAL  41  10.313  -3.023  -3.853
  296   2HG2  VAL  41          2HG2      VAL  41  11.257  -4.018  -2.747
  297   3HG2  VAL  41          3HG2      VAL  41   9.498  -4.065  -2.690
  298    HA   PRO  42           HA       PRO  42   7.946  -9.454  -4.981
  299   2HB   PRO  42          1HB       PRO  42   9.380 -10.177  -6.618
  300   1HB   PRO  42          2HB       PRO  42  10.271 -10.858  -5.243
  301   1HG   PRO  42          1HG       PRO  42  11.426  -9.191  -6.953
  302   2HG   PRO  42          2HG       PRO  42  11.783  -9.120  -5.218
  303   2HD   PRO  42          1HD       PRO  42  10.094  -7.323  -6.893
  304   1HD   PRO  42          2HD       PRO  42  11.133  -6.942  -5.503
  305    H    GLU  43           H        GLU  43  10.755  -8.278  -3.193
  306    HA   GLU  43           HA       GLU  43  10.756 -10.287  -1.129
  307   2HB   GLU  43          1HB       GLU  43  11.991  -8.243   0.034
  308   1HB   GLU  43          2HB       GLU  43  11.910  -7.561  -1.589
  309   2HG   GLU  43          1HG       GLU  43  13.935  -8.705  -1.683
  310   1HG   GLU  43          2HG       GLU  43  12.829  -9.930  -2.303
  311    H    MET  44           H        MET  44   8.446  -7.913  -1.804
  312    HA   MET  44           HA       MET  44   7.790  -7.289   1.016
  313   2HB   MET  44          1HB       MET  44   5.954  -6.003  -0.360
  314   1HB   MET  44          2HB       MET  44   7.010  -6.379  -1.724
  315   1HG   MET  44          1HG       MET  44   7.949  -5.131   0.851
  316   2HG   MET  44          2HG       MET  44   7.530  -4.195  -0.582
  317   1HE   MET  44          1HE       MET  44  10.216  -3.896   0.807
  318   2HE   MET  44          2HE       MET  44   9.866  -3.078  -0.714
  319   3HE   MET  44          3HE       MET  44  11.384  -3.949  -0.520
  320    H    VAL  45           H        VAL  45   7.127  -9.791  -1.022
  321    HA   VAL  45           HA       VAL  45   4.382 -10.310  -0.998
  322    HB   VAL  45           HB       VAL  45   5.972 -11.620  -2.239
  323   1HG1  VAL  45          1HG1      VAL  45   7.489 -13.233  -0.903
  324   2HG1  VAL  45          2HG1      VAL  45   7.158 -12.188   0.479
  325   3HG1  VAL  45          3HG1      VAL  45   7.956 -11.531  -0.952
  326   1HG2  VAL  45          1HG2      VAL  45   5.334 -13.915  -1.634
  327   2HG2  VAL  45          2HG2      VAL  45   3.943 -12.841  -1.493
  328   3HG2  VAL  45          3HG2      VAL  45   4.806 -13.367  -0.047
  329    H    GLY  46           H        GLY  46   6.174  -9.923   1.873
  330   2HA   GLY  46          1HA       GLY  46   5.629 -11.721   3.761
  331   1HA   GLY  46          2HA       GLY  46   3.988 -11.178   3.411
  332    H    HIS  47           H        HIS  47   4.812  -8.386   2.868
  333    HA   HIS  47           HA       HIS  47   5.193  -7.522   5.702
  334   1HB   HIS  47          1HB       HIS  47   6.964  -6.015   5.080
  335   2HB   HIS  47          2HB       HIS  47   6.695  -6.312   3.366
  336    HD1  HIS  47          1HD       HIS  47   8.309  -7.790   6.407
  337    HD2  HIS  47          2HD       HIS  47   7.731  -8.786   2.405
  338    HE1  HIS  47          1HE       HIS  47   9.838  -9.753   5.928
  339    H    THR  48           H        THR  48   4.342  -5.435   6.140
  340    HA   THR  48           HA       THR  48   2.342  -4.434   4.159
  341    HB   THR  48           HB       THR  48   2.440  -3.251   6.866
  342    HG1  THR  48          1HG       THR  48   2.819  -5.050   7.861
  343   1HG2  THR  48          1HG2      THR  48   0.174  -3.276   6.628
  344   2HG2  THR  48          2HG2      THR  48   0.161  -4.917   5.980
  345   3HG2  THR  48          3HG2      THR  48   0.567  -3.558   4.931
  346    H    ILE  49           H        ILE  49   4.062  -3.416   2.882
  347    HA   ILE  49           HA       ILE  49   5.873  -1.487   4.090
  348    HB   ILE  49           HB       ILE  49   5.112  -2.055   1.214
  349   1HG2  ILE  49          1HG2      ILE  49   6.307   0.073   1.465
  350   2HG2  ILE  49          2HG2      ILE  49   7.361  -1.126   0.716
  351   3HG2  ILE  49          3HG2      ILE  49   7.557  -0.722   2.422
  352   2HG1  ILE  49          1HG1      ILE  49   6.263  -3.992   1.407
  353   1HG1  ILE  49          2HG1      ILE  49   6.286  -3.731   3.147
  354   1HD1  ILE  49          1HD1      ILE  49   8.368  -2.250   2.673
  355   2HD1  ILE  49          2HD1      ILE  49   8.414  -3.091   1.125
  356   3HD1  ILE  49          3HD1      ILE  49   8.552  -4.002   2.625
  357    H    ALA  50           H        ALA  50   5.102   0.441   4.840
  358    HA   ALA  50           HA       ALA  50   2.729   1.704   3.721
  359   1HB   ALA  50          1HB       ALA  50   3.387   3.521   5.345
  360   2HB   ALA  50          2HB       ALA  50   4.819   2.559   5.730
  361   3HB   ALA  50          3HB       ALA  50   3.209   1.919   6.067
  362    H    VAL  51           H        VAL  51   3.508   1.758   1.519
  363    HA   VAL  51           HA       VAL  51   5.817   3.164   0.608
  364    HB   VAL  51           HB       VAL  51   4.607   3.138  -1.551
  365   1HG1  VAL  51          1HG1      VAL  51   4.626   0.833  -1.785
  366   2HG1  VAL  51          2HG1      VAL  51   3.812   0.563  -0.244
  367   3HG1  VAL  51          3HG1      VAL  51   5.521   1.001  -0.274
  368   1HG2  VAL  51          1HG2      VAL  51   2.217   1.883  -1.142
  369   2HG2  VAL  51          2HG2      VAL  51   2.386   3.630  -1.327
  370   3HG2  VAL  51          3HG2      VAL  51   2.289   2.917   0.283
  371    H    TYR  52           H        TYR  52   6.228   5.339   0.402
  372    HA   TYR  52           HA       TYR  52   4.275   7.281   1.377
  373   2HB   TYR  52          1HB       TYR  52   6.931   7.708  -0.039
  374   1HB   TYR  52          2HB       TYR  52   6.786   7.376   1.684
  375    HD1  TYR  52          1HD       TYR  52   7.377   9.955  -0.444
  376    HE1  TYR  52          1HE       TYR  52   6.968  12.359   0.004
  377    HE2  TYR  52          2HE       TYR  52   4.224  11.308   3.134
  378    HD2  TYR  52          2HD       TYR  52   4.633   8.906   2.685
  379    HH   TYR  52           HH       TYR  52   5.995  13.623   2.490
  380    H    ASN  53           H        ASN  53   2.517   7.513  -0.007
  381    HA   ASN  53           HA       ASN  53   2.675   7.385  -2.895
  382   2HB   ASN  53          1HB       ASN  53   0.654   8.447  -0.898
  383   1HB   ASN  53          2HB       ASN  53   0.651   6.865  -1.675
  384   1HD2  ASN  53          1HD2      ASN  53  -0.338  10.184  -2.018
  385   2HD2  ASN  53          2HD2      ASN  53  -1.001  10.041  -3.575
  386    H    GLY  54           H        GLY  54   3.862   9.726  -0.829
  387   2HA   GLY  54          1HA       GLY  54   3.430  11.923  -2.813
  388   1HA   GLY  54          2HA       GLY  54   4.973  11.673  -1.986
  389    H    LYS  55           H        LYS  55   2.104  10.998  -0.210
  390    HA   LYS  55           HA       LYS  55   2.550  13.398   1.496
  391   2HB   LYS  55          1HB       LYS  55   0.740  14.140   0.203
  392   1HB   LYS  55          2HB       LYS  55  -0.073  13.391   1.576
  393   2HG   LYS  55          1HG       LYS  55  -0.235  11.266   0.231
  394   1HG   LYS  55          2HG       LYS  55   0.383  12.163  -1.156
  395   1HD   LYS  55          1HD       LYS  55  -1.962  13.272   0.352
  396   2HD   LYS  55          2HD       LYS  55  -2.227  11.927  -0.758
  397   1HE   LYS  55          1HE       LYS  55  -0.628  14.308  -1.685
  398   2HE   LYS  55          2HE       LYS  55  -2.399  14.391  -1.674
  399   1HZ   LYS  55          1HZ       LYS  55  -1.698  13.475  -3.763
  400   2HZ   LYS  55          2HZ       LYS  55  -2.381  12.213  -2.856
  401   3HZ   LYS  55          3HZ       LYS  55  -0.693  12.342  -3.002
  402    H    GLN  56           H        GLN  56   1.300  10.102   1.140
  403    HA   GLN  56           HA       GLN  56   1.334   9.814   4.118
  404   1HB   GLN  56          1HB       GLN  56  -0.846   9.962   2.382
  405   2HB   GLN  56          2HB       GLN  56  -0.879   9.440   4.062
  406   1HG   GLN  56          1HG       GLN  56   0.011   7.272   2.374
  407   2HG   GLN  56          2HG       GLN  56  -1.510   7.913   1.777
  408   1HE2  GLN  56          1HE2      GLN  56   0.001   6.962   4.928
  409   2HE2  GLN  56          2HE2      GLN  56  -1.423   6.312   5.576
  410    H    HIS  57           H        HIS  57   1.727   7.678   4.886
  411    HA   HIS  57           HA       HIS  57   3.244   5.931   3.004
  412   1HB   HIS  57          1HB       HIS  57   4.418   5.250   4.916
  413   2HB   HIS  57          2HB       HIS  57   3.057   5.540   5.984
  414    HD1  HIS  57          1HD       HIS  57   3.154   7.641   7.318
  415    HD2  HIS  57          2HD       HIS  57   5.572   7.864   3.932
  416    HE1  HIS  57          1HE       HIS  57   4.349   9.870   7.438
  417    H    VAL  58           H        VAL  58   1.590   4.652   2.036
  418    HA   VAL  58           HA       VAL  58  -0.608   3.568   3.688
  419    HB   VAL  58           HB       VAL  58   0.178   3.166   0.777
  420   1HG1  VAL  58          1HG1      VAL  58  -2.131   2.411   0.478
  421   2HG1  VAL  58          2HG1      VAL  58  -2.464   2.682   2.189
  422   3HG1  VAL  58          3HG1      VAL  58  -1.338   1.416   1.699
  423   1HG2  VAL  58          1HG2      VAL  58  -1.670   4.831   0.380
  424   2HG2  VAL  58          2HG2      VAL  58  -0.272   5.515   1.210
  425   3HG2  VAL  58          3HG2      VAL  58  -1.728   5.108   2.120
  426    HA   PRO  59           HA       PRO  59   2.220   0.086   4.501
  427   2HB   PRO  59          1HB       PRO  59   1.827   0.369   6.772
  428   1HB   PRO  59          2HB       PRO  59   0.702  -0.982   6.525
  429   1HG   PRO  59          1HG       PRO  59  -0.119   1.349   7.518
  430   2HG   PRO  59          2HG       PRO  59  -1.131   0.416   6.403
  431   2HD   PRO  59          1HD       PRO  59   0.473   2.880   5.910
  432   1HD   PRO  59          2HD       PRO  59  -1.090   2.395   5.223
  433    H    VAL  60           H        VAL  60   1.684  -0.821   2.491
  434    HA   VAL  60           HA       VAL  60  -0.840  -2.358   2.224
  435    HB   VAL  60           HB       VAL  60   0.109  -2.722  -0.104
  436   1HG1  VAL  60          1HG1      VAL  60  -0.013   0.198   0.659
  437   2HG1  VAL  60          2HG1      VAL  60  -1.447  -0.828   0.628
  438   3HG1  VAL  60          3HG1      VAL  60  -0.528  -0.553  -0.851
  439   1HG2  VAL  60          1HG2      VAL  60   2.075  -1.670  -0.809
  440   2HG2  VAL  60          2HG2      VAL  60   2.517  -2.252   0.794
  441   3HG2  VAL  60          3HG2      VAL  60   2.087  -0.557   0.558
  442    H    TYR  61           H        TYR  61  -0.780  -4.415   3.132
  443    HA   TYR  61           HA       TYR  61   1.701  -5.891   3.429
  444   2HB   TYR  61          1HB       TYR  61  -1.089  -7.063   3.393
  445   1HB   TYR  61          2HB       TYR  61  -0.489  -6.132   4.772
  446    HD1  TYR  61          1HD       TYR  61   0.478  -7.390   6.483
  447    HE1  TYR  61          1HE       TYR  61   1.761  -9.356   7.258
  448    HE2  TYR  61          2HE       TYR  61   2.067 -10.752   3.197
  449    HD2  TYR  61          2HD       TYR  61   0.798  -8.788   2.435
  450    HH   TYR  61           HH       TYR  61   3.553 -10.982   6.060
  451    H    ILE  62           H        ILE  62   2.721  -6.224   1.471
  452    HA   ILE  62           HA       ILE  62   1.246  -6.915  -0.948
  453    HB   ILE  62           HB       ILE  62   4.192  -6.884  -0.244
  454   1HG2  ILE  62          1HG2      ILE  62   3.452  -8.200  -2.329
  455   2HG2  ILE  62          2HG2      ILE  62   4.659  -6.939  -2.571
  456   3HG2  ILE  62          3HG2      ILE  62   2.977  -6.637  -2.998
  457   1HG1  ILE  62          1HG1      ILE  62   2.242  -4.793  -0.617
  458   2HG1  ILE  62          2HG1      ILE  62   3.448  -4.708  -1.895
  459   1HD1  ILE  62          1HD1      ILE  62   3.852  -3.531   0.460
  460   2HD1  ILE  62          2HD1      ILE  62   5.182  -4.286  -0.414
  461   3HD1  ILE  62          3HD1      ILE  62   4.396  -5.146   0.912
  462    H    THR  63           H        THR  63   1.071  -8.895  -1.888
  463    HA   THR  63           HA       THR  63   2.106 -11.278  -0.405
  464    HB   THR  63           HB       THR  63   0.186 -12.440  -1.366
  465    HG1  THR  63          1HG       THR  63  -0.864 -11.688  -3.039
  466   1HG2  THR  63          1HG2      THR  63  -0.906  -9.743  -0.579
  467   2HG2  THR  63          2HG2      THR  63  -0.139 -10.806   0.601
  468   3HG2  THR  63          3HG2      THR  63  -1.586 -11.338  -0.257
  469    H    GLU  64           H        GLU  64   1.593 -12.954  -2.819
  470    HA   GLU  64           HA       GLU  64   4.069 -12.259  -4.271
  471   2HB   GLU  64          1HB       GLU  64   3.242 -14.500  -5.456
  472   1HB   GLU  64          2HB       GLU  64   2.177 -14.586  -4.054
  473   2HG   GLU  64          1HG       GLU  64   3.920 -14.894  -2.581
  474   1HG   GLU  64          2HG       GLU  64   5.056 -13.968  -3.564
  475    H    ASN  65           H        ASN  65   0.663 -11.721  -4.693
  476    HA   ASN  65           HA       ASN  65   1.123 -11.132  -7.607
  477   2HB   ASN  65          1HB       ASN  65  -1.602 -11.619  -7.233
  478   1HB   ASN  65          2HB       ASN  65  -0.808 -12.790  -6.181
  479   1HD2  ASN  65          1HD2      ASN  65   1.608 -13.103  -7.821
  480   2HD2  ASN  65          2HD2      ASN  65   1.145 -13.918  -9.236
  481    H    MET  66           H        MET  66   1.231  -9.290  -5.165
  482    HA   MET  66           HA       MET  66  -0.961  -7.401  -5.965
  483   2HB   MET  66          1HB       MET  66  -0.653  -6.528  -3.651
  484   1HB   MET  66          2HB       MET  66   0.539  -7.795  -3.364
  485   2HG   MET  66          1HG       MET  66  -1.431  -8.757  -2.529
  486   1HG   MET  66          2HG       MET  66  -1.378  -9.396  -4.171
  487   1HE   MET  66          1HE       MET  66  -3.927  -9.950  -3.710
  488   2HE   MET  66          2HE       MET  66  -3.435  -9.606  -5.366
  489   3HE   MET  66          3HE       MET  66  -4.955  -8.959  -4.754
  490    H    VAL  67           H        VAL  67   2.493  -7.804  -5.405
  491    HA   VAL  67           HA       VAL  67   3.325  -5.059  -5.503
  492    HB   VAL  67           HB       VAL  67   4.734  -6.858  -4.666
  493   1HG1  VAL  67          1HG1      VAL  67   4.196  -7.998  -7.391
  494   2HG1  VAL  67          2HG1      VAL  67   4.193  -8.806  -5.824
  495   3HG1  VAL  67          3HG1      VAL  67   5.721  -8.387  -6.596
  496   1HG2  VAL  67          1HG2      VAL  67   5.867  -5.814  -7.282
  497   2HG2  VAL  67          2HG2      VAL  67   6.796  -6.393  -5.903
  498   3HG2  VAL  67          3HG2      VAL  67   5.849  -4.914  -5.768
  499    H    GLY  68           H        GLY  68   4.578  -4.053  -7.296
  500   2HA   GLY  68          1HA       GLY  68   3.546  -4.858  -9.985
  501   1HA   GLY  68          2HA       GLY  68   5.195  -4.294  -9.733
  502    H    HIS  69           H        HIS  69   2.956  -2.541  -7.789
  503    HA   HIS  69           HA       HIS  69   2.898  -0.385  -9.866
  504   2HB   HIS  69          1HB       HIS  69   0.698   0.179  -8.805
  505   1HB   HIS  69          2HB       HIS  69   0.849  -1.244  -7.783
  506    HD1  HIS  69          1HD       HIS  69  -0.814  -0.298 -10.726
  507    HD2  HIS  69          2HD       HIS  69   1.539  -3.615  -9.774
  508    HE1  HIS  69          1HE       HIS  69  -1.396  -2.098 -12.409
  509    H    LYS  70           H        LYS  70   1.807  -0.216  -6.531
  510    HA   LYS  70           HA       LYS  70   4.079   0.968  -5.314
  511   2HB   LYS  70          1HB       LYS  70   3.961   2.788  -6.818
  512   1HB   LYS  70          2HB       LYS  70   3.137   3.384  -5.379
  513   1HG   LYS  70          1HG       LYS  70   1.481   1.948  -7.389
  514   2HG   LYS  70          2HG       LYS  70   2.051   3.555  -7.830
  515   2HD   LYS  70          1HD       LYS  70   1.200   4.041  -5.304
  516   1HD   LYS  70          2HD       LYS  70   0.101   2.732  -5.740
  517   1HE   LYS  70          1HE       LYS  70   0.404   4.730  -7.881
  518   2HE   LYS  70          2HE       LYS  70  -0.279   5.401  -6.389
  519   1HZ   LYS  70          1HZ       LYS  70  -1.181   2.881  -7.701
  520   2HZ   LYS  70          2HZ       LYS  70  -1.974   4.377  -7.845
  521   3HZ   LYS  70          3HZ       LYS  70  -1.875   3.606  -6.333
  522    H    LEU  71           H        LEU  71   0.660   0.768  -5.569
  523    HA   LEU  71           HA       LEU  71   0.068  -0.030  -2.932
  524   1HB   LEU  71          1HB       LEU  71   0.964   2.470  -2.742
  525   2HB   LEU  71          2HB       LEU  71  -0.373   1.925  -1.741
  526    HG   LEU  71           HG       LEU  71  -1.119   3.003  -4.406
  527   1HD1  LEU  71          1HD1      LEU  71  -3.087   3.446  -3.332
  528   2HD1  LEU  71          2HD1      LEU  71  -2.278   4.015  -1.872
  529   3HD1  LEU  71          3HD1      LEU  71  -2.472   2.286  -2.155
  530   1HD2  LEU  71          1HD2      LEU  71   0.792   4.465  -3.405
  531   2HD2  LEU  71          2HD2      LEU  71  -0.414   4.945  -2.211
  532   3HD2  LEU  71          3HD2      LEU  71  -0.691   5.267  -3.923
  533    H    GLY  72           H        GLY  72  -0.943   1.269  -6.010
  534   2HA   GLY  72          1HA       GLY  72  -3.004   1.321  -7.106
  535   1HA   GLY  72          2HA       GLY  72  -3.788   1.315  -5.527
  536    H    GLU  73           H        GLU  73  -1.547  -1.255  -6.011
  537    HA   GLU  73           HA       GLU  73  -3.538  -3.132  -7.138
  538   2HB   GLU  73          1HB       GLU  73  -1.477  -4.684  -6.506
  539   1HB   GLU  73          2HB       GLU  73  -0.642  -3.138  -6.349
  540   2HG   GLU  73          1HG       GLU  73  -0.348  -3.906  -8.612
  541   1HG   GLU  73          2HG       GLU  73  -1.477  -2.551  -8.653
  542    H    PHE  74           H        PHE  74  -2.423  -2.029  -4.072
  543    HA   PHE  74           HA       PHE  74  -3.609  -4.373  -2.650
  544   1HB   PHE  74          1HB       PHE  74  -2.206  -3.742  -0.843
  545   2HB   PHE  74          2HB       PHE  74  -2.039  -2.095  -1.437
  546    HD1  PHE  74          1HD       PHE  74  -0.600  -1.618  -3.446
  547    HE1  PHE  74          1HE       PHE  74   1.505  -2.236  -4.575
  548    HZ   PHE  74           HZ       PHE  74   2.478  -4.483  -4.229
  549    HE2  PHE  74          2HE       PHE  74   1.347  -6.115  -2.770
  550    HD2  PHE  74          2HD       PHE  74  -0.761  -5.522  -1.645
  551    H    ALA  75           H        ALA  75  -4.114  -1.035  -3.464
  552    HA   ALA  75           HA       ALA  75  -6.532  -0.973  -1.708
  553   1HB   ALA  75          1HB       ALA  75  -4.808   0.220  -0.519
  554   2HB   ALA  75          2HB       ALA  75  -5.853   1.443  -1.245
  555   3HB   ALA  75          3HB       ALA  75  -4.298   1.058  -1.986
  556    HA   PRO  76           HA       PRO  76  -7.201   0.700  -6.011
  557   2HB   PRO  76          1HB       PRO  76  -6.604  -1.178  -7.221
  558   1HB   PRO  76          2HB       PRO  76  -8.350  -1.468  -7.229
  559   1HG   PRO  76          1HG       PRO  76  -6.432  -3.143  -6.136
  560   2HG   PRO  76          2HG       PRO  76  -8.161  -3.178  -5.767
  561   1HD   PRO  76          1HD       PRO  76  -5.989  -2.469  -4.044
  562   2HD   PRO  76          2HD       PRO  76  -7.722  -2.491  -3.664
  563    H    THR  77           H        THR  77  -8.726   1.089  -3.718
  564    HA   THR  77           HA       THR  77 -10.918   1.503  -2.936
  565    HB   THR  77           HB       THR  77 -11.443   1.599  -5.924
  566    HG1  THR  77          1HG       THR  77  -9.950   3.059  -5.907
  567   1HG2  THR  77          1HG2      THR  77 -12.793   2.642  -3.478
  568   2HG2  THR  77          2HG2      THR  77 -13.495   2.065  -4.990
  569   3HG2  THR  77          3HG2      THR  77 -12.786   3.678  -4.906
  570    H    ARG  78           H        ARG  78 -10.337  -1.265  -3.000
  571    HA   ARG  78           HA       ARG  78 -13.051  -2.387  -3.360
  572   2HB   ARG  78          1HB       ARG  78 -10.817  -3.892  -4.657
  573   1HB   ARG  78          2HB       ARG  78 -11.420  -2.461  -5.493
  574   2HG   ARG  78          1HG       ARG  78 -12.990  -3.876  -6.333
  575   1HG   ARG  78          2HG       ARG  78 -13.760  -3.697  -4.757
  576   2HD   ARG  78          1HD       ARG  78 -11.745  -5.669  -4.424
  577   1HD   ARG  78          2HD       ARG  78 -12.594  -6.068  -5.930
  578    HE   ARG  78           HE       ARG  78 -14.278  -5.326  -3.602
  579   1HH1  ARG  78          1HH1      ARG  78 -15.567  -6.740  -5.790
  580   2HH1  ARG  78          2HH1      ARG  78 -15.547  -8.396  -5.284
  581   1HH2  ARG  78          1HH2      ARG  78 -13.101  -7.905  -2.865
  582   2HH2  ARG  78          2HH2      ARG  78 -14.148  -9.057  -3.624
  583    H    THR  79           H        THR  79 -13.387  -4.157  -1.974
  584    HA   THR  79           HA       THR  79 -11.396  -4.608   0.126
  585    HB   THR  79           HB       THR  79 -13.931  -4.476   0.359
  586    HG1  THR  79          1HG       THR  79 -13.054  -5.306   2.112
  587   1HG2  THR  79          1HG2      THR  79 -14.291  -6.016  -1.657
  588   2HG2  THR  79          2HG2      THR  79 -15.281  -6.343  -0.236
  589   3HG2  THR  79          3HG2      THR  79 -13.873  -7.347  -0.580
  590    H    TYR  80           H        TYR  80 -10.845  -6.935   0.751
  591    HA   TYR  80           HA       TYR  80  -9.625  -8.300  -1.516
  592   1HB   TYR  80          1HB       TYR  80  -8.764  -8.049   0.886
  593   2HB   TYR  80          2HB       TYR  80  -8.634  -9.661   0.188
  594    HD1  TYR  80          1HD       TYR  80 -10.069 -11.491   0.943
  595    HE1  TYR  80          1HE       TYR  80 -11.427 -12.411   2.804
  596    HE2  TYR  80          2HE       TYR  80 -11.774  -8.479   4.496
  597    HD2  TYR  80          2HD       TYR  80 -10.416  -7.558   2.638
  598    HH   TYR  80           HH       TYR  80 -11.843 -11.318   5.490

  No H/Q in entry =         598