*HEADER    TRANSFERASE                             06-SEP-05   2C0S
*TITLE     NMR SOLUTION STRUCTURE OF A PROTEIN ASPARTIC ACID PHOSPHATE
*TITLE    2 PHOSPHATASE FROM BACILLUS ANTHRACIS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CONSERVED DOMAIN PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: SMALL ASPARTIC ACID PHOSPHATE PHOSPHATASE,
*COMPND   5  RESIDUES XXXXXXX;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE   4 EXPRESSION_SYSTEM_PLASMID: PET28A;
*SOURCE   5 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS;
*SOURCE   6 STRAIN: AMES
*KEYWDS    PHOSPHATASE, PHOSPHORYLATION, SPORULATION, BACILLUS
*KEYWDS   2 ANTHRACIS, ANTITHETICAL, NEGATIVE REGULATOR, SPINE,
*KEYWDS   3 TRANSFERASE
*EXPDTA    NMR, 25 STRUCTURES
*AUTHOR    R.GRENHA,N.RZECHORZEK,J.A.BRANNIGAN,E.AB,G.E.FOLKERS,
*AUTHOR   2 R.N.DE JONG,T.DIERCKS,A.J.WILKINSON,R.KAPTEIN,K.S.WILSON




>dihedrals
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -60.3   13.2 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -35.1   26.3 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -65.8   11.8 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -40.6   13.2 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -65.0   13.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -40.9   12.1 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -65.0   15.1 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -40.8   10.7 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -63.1   10.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -41.6   10.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -66.8   15.2 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -39.9   16.4 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -67.8   14.7 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -40.0   15.3 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -66.0   10.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -43.4   10.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -61.7   11.6 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -41.4   13.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -63.8   11.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -40.7   15.2 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -66.5   10.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -41.8   10.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -64.3   12.7 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -41.3   11.8 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -66.2   11.4 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -37.8   13.4 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -67.8   11.5 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -40.9   15.7 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -61.3   10.8 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -42.3   10.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -62.8   10.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -42.4   10.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -61.7   12.6 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -42.3   13.3 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -64.1   10.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -42.2   10.6 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -62.4   10.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -43.9   10.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -57.6   10.2 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -39.9   12.6 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -64.7   17.2 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -37.6   10.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -96.9   44.7 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -11.8   36.6 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -61.5   12.5 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -35.2   30.2 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -60.7   10.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -43.9   16.6 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -65.2   10.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -43.1   10.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -65.4   10.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -41.6   10.0 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -63.4   10.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -39.4   12.6 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -65.4   11.2 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -41.2   10.6 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -62.9   12.1 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -43.0   10.6 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -66.1   10.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -38.8   10.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -68.6   11.9 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -37.2   21.9 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -65.7   14.2 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -39.6   13.5 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -64.1   10.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -39.7   14.9 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -69.1   10.8 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -39.7   10.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -61.8   10.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -42.3   10.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -63.7   10.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -38.7   15.6 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -62.8   13.5 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -36.7   18.7 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -67.0   10.8 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -42.5   10.3 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -62.7   10.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -40.9   10.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -62.7   10.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -38.3   11.9 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -62.3   13.5 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -42.3   11.5 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0  -64.7   12.2 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  -39.7   10.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -61.5   10.2 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -39.6   11.7 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -64.7   13.6 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -41.1   22.9 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -65.8   22.9 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -38.1   21.0 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0  -76.5   32.4 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  -24.5   61.4 2
>hbonds
ASSI ( resid   5 and name    O ) ( resid   9 and name    H ) 2.00 0.30 0.30 
ASSI ( resid   5 and name    O ) ( resid   9 and name    N ) 3.00 0.30 0.30 
ASSI ( resid   6 and name    O ) ( resid  10 and name    H ) 2.00 0.30 0.30 
ASSI ( resid   6 and name    O ) ( resid  10 and name    N ) 3.00 0.30 0.30 
ASSI ( resid   7 and name    O ) ( resid  11 and name    H ) 2.00 0.30 0.30 
ASSI ( resid   7 and name    O ) ( resid  11 and name    N ) 3.00 0.30 0.30 
ASSI ( resid   8 and name    O ) ( resid  12 and name    H ) 2.00 0.30 0.30 
ASSI ( resid   8 and name    O ) ( resid  12 and name    N ) 3.00 0.30 0.30 
ASSI ( resid   9 and name    O ) ( resid  13 and name    H ) 2.00 0.30 0.30 
ASSI ( resid   9 and name    O ) ( resid  13 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  10 and name    O ) ( resid  14 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  10 and name    O ) ( resid  14 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  11 and name    O ) ( resid  15 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  11 and name    O ) ( resid  15 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  12 and name    O ) ( resid  16 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  12 and name    O ) ( resid  16 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  13 and name    O ) ( resid  17 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  13 and name    O ) ( resid  17 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  14 and name    O ) ( resid  18 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  14 and name    O ) ( resid  18 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  15 and name    O ) ( resid  19 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  15 and name    O ) ( resid  19 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  16 and name    O ) ( resid  20 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  16 and name    O ) ( resid  20 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  17 and name    O ) ( resid  21 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  17 and name    O ) ( resid  21 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  18 and name    O ) ( resid  22 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  18 and name    O ) ( resid  22 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  19 and name    O ) ( resid  23 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  19 and name    O ) ( resid  23 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  28 and name    O ) ( resid  32 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  28 and name    O ) ( resid  32 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  29 and name    O ) ( resid  33 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  29 and name    O ) ( resid  33 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  30 and name    O ) ( resid  34 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  30 and name    O ) ( resid  34 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  31 and name    O ) ( resid  35 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  31 and name    O ) ( resid  35 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  32 and name    O ) ( resid  36 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  32 and name    O ) ( resid  36 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  33 and name    O ) ( resid  37 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  33 and name    O ) ( resid  37 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  34 and name    O ) ( resid  38 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  34 and name    O ) ( resid  38 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  35 and name    O ) ( resid  39 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  35 and name    O ) ( resid  39 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  36 and name    O ) ( resid  40 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  36 and name    O ) ( resid  40 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  37 and name    O ) ( resid  41 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  37 and name    O ) ( resid  41 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  38 and name    O ) ( resid  42 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  38 and name    O ) ( resid  42 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  39 and name    O ) ( resid  43 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  39 and name    O ) ( resid  43 and name    N ) 3.00 0.30 0.30 
ASSI ( resid  40 and name    O ) ( resid  44 and name    H ) 2.00 0.30 0.30 
ASSI ( resid  40 and name    O ) ( resid  44 and name    N ) 3.00 0.30 0.30 
>unambig
assign ( resid  29 and name   HN ) ( resid  29 and name  HB2 ) 4.10 4.10 0.00 
		peak 3
assign ( resid  29 and name   HN ) ( resid  29 and name  HB1 ) 4.10 4.10 0.00 
		peak 4
assign ( resid  63 and name   HN ) ( resid  64 and name   HN ) 4.46 4.46 0.00 
		peak 5
assign ( resid  64 and name   HN ) ( resid  64 and name  HB1 ) 3.45 3.45 0.00 
		peak 8
assign ( resid  34 and name   HN ) ( resid  34 and name  HB1 ) 3.85 3.85 0.00 
		peak 11
assign ( resid  34 and name   HN ) ( resid  34 and name  HB2 ) 3.85 3.85 0.00 
		peak 15
assign ( resid  56 and name  HB2 ) ( resid  57 and name   HN ) 4.77 4.77 0.00 
		peak 27
assign ( resid  56 and name  HB1 ) ( resid  57 and name   HN ) 4.77 4.77 0.00 
		peak 27
assign ( resid  57 and name   HN ) ( resid  57 and name  HB2 ) 3.68 3.68 0.00 
		peak 28
assign ( resid  27 and name HG2+ ) ( resid  28 and name   HN ) 4.46 4.46 0.00 
		peak 30
assign ( resid  27 and name   HN ) ( resid  28 and name   HN ) 3.52 3.52 0.00 
		peak 32
assign ( resid  28 and name   HN ) ( resid  28 and name  HB2 ) 3.69 3.69 0.00 
		peak 34
assign ( resid  28 and name   HN ) ( resid  28 and name  HB1 ) 3.69 3.69 0.00 
		peak 35
assign ( resid  28 and name   HN ) ( resid  31 and name   HB ) 5.05 5.05 0.00 
		peak 36
assign ( resid  27 and name   HB ) ( resid  28 and name   HN ) 4.49 4.49 0.00 
		peak 37
assign ( resid   2 and name   HA ) ( resid   3 and name   HN ) 3.20 3.20 0.00 
		peak 41
assign ( resid   3 and name   HN ) ( resid   3 and name   HB ) 3.80 3.80 0.00 
		peak 45
assign ( resid   3 and name   HN ) ( resid   3 and name HG1+ ) 3.33 3.33 0.00 
		peak 46
assign ( resid  44 and name   HN ) ( resid  44 and name HD1+ ) 3.94 3.94 0.00 
		peak 48
assign ( resid  43 and name  HB1 ) ( resid  44 and name   HN ) 4.15 4.15 0.00 
		peak 51
assign ( resid  41 and name   HA ) ( resid  44 and name   HN ) 4.15 4.15 0.00 
		peak 52
assign ( resid  44 and name   HN ) ( resid  44 and name  HB2 ) 3.56 3.56 0.00 
		peak 53
assign ( resid  51 and name   HN ) ( resid  51 and name  HD2 ) 5.50 5.50 0.00 
		peak 58
assign ( resid  51 and name   HN ) ( resid  51 and name  HD1 ) 5.50 5.50 0.00 
		peak 58
assign ( resid  50 and name HG2+ ) ( resid  51 and name   HN ) 4.00 4.00 0.00 
		peak 62
assign ( resid  51 and name   HN ) ( resid  51 and name  HG2 ) 4.62 4.62 0.00 
		peak 64
assign ( resid  51 and name   HN ) ( resid  51 and name  HG1 ) 4.62 4.62 0.00 
		peak 64
assign ( resid   9 and name   HN ) ( resid  10 and name   HN ) 3.92 3.92 0.00 
		peak 70
assign ( resid   8 and name  HB1 ) ( resid   9 and name   HN ) 4.10 4.10 0.00 
		peak 72
assign ( resid   9 and name   HN ) ( resid   9 and name  HG2 ) 3.87 3.87 0.00 
		peak 73
assign ( resid   8 and name  HB2 ) ( resid   9 and name   HN ) 4.10 4.10 0.00 
		peak 74
assign ( resid   9 and name   HN ) ( resid   9 and name  HB1 ) 3.66 3.66 0.00 
		peak 75
assign ( resid   9 and name   HN ) ( resid   9 and name  HB2 ) 3.66 3.66 0.00 
		peak 76
assign ( resid   9 and name   HN ) ( resid   9 and name  HG1 ) 3.87 3.87 0.00 
		peak 77
assign ( resid   9 and name   HN ) ( resid  10 and name HD1+ ) 5.50 5.50 0.00 
		peak 78
assign ( resid  47 and name   HN ) ( resid  48 and name   HN ) 4.00 4.00 0.00 
		peak 79
assign ( resid  46 and name   HB ) ( resid  47 and name   HN ) 3.83 3.83 0.00 
		peak 81
assign ( resid  47 and name   HN ) ( resid  47 and name  HB2 ) 3.80 3.80 0.00 
		peak 83
assign ( resid  47 and name   HN ) ( resid  47 and name  HB1 ) 3.80 3.80 0.00 
		peak 83
assign ( resid  46 and name HG2+ ) ( resid  47 and name   HN ) 3.78 3.78 0.00 
		peak 84
assign ( resid  32 and name   HN ) ( resid  32 and name HG2+ ) 3.87 3.87 0.00 
		peak 86
assign ( resid  32 and name   HN ) ( resid  32 and name HG12 ) 3.92 3.92 0.00 
		peak 87
assign ( resid  31 and name   HB ) ( resid  32 and name   HN ) 3.88 3.88 0.00 
		peak 91
assign ( resid   7 and name   HA ) ( resid  10 and name   HN ) 4.32 4.32 0.00 
		peak 95
assign ( resid   8 and name   HA ) ( resid  10 and name   HN ) 4.98 4.98 0.00 
		peak 95
assign ( resid  10 and name   HN ) ( resid  10 and name HG2+ ) 3.79 3.79 0.00 
		peak 96
assign ( resid   9 and name  HB1 ) ( resid  10 and name   HN ) 4.23 4.23 0.00 
		peak 98
assign ( resid  10 and name   HN ) ( resid  10 and name   HB ) 4.10 4.10 0.00 
		peak 98
assign ( resid   9 and name  HB2 ) ( resid  10 and name   HN ) 4.23 4.23 0.00 
		peak 99
assign ( resid  10 and name   HN ) ( resid  10 and name HG12 ) 4.42 4.42 0.00 
		peak 100
assign ( resid  52 and name  HG1 ) ( resid  53 and name   HN ) 4.20 4.20 0.00 
		peak 107
assign ( resid  53 and name   HN ) ( resid  53 and name  HD2 ) 5.40 5.40 0.00 
		peak 112
assign ( resid  53 and name   HN ) ( resid  53 and name  HD1 ) 5.40 5.40 0.00 
		peak 112
assign ( resid   4 and name HG2+ ) ( resid   6 and name   HN ) 4.77 4.77 0.00 
		peak 115
assign ( resid   3 and name   HA ) ( resid   6 and name   HN ) 4.05 4.05 0.00 
		peak 117
assign ( resid   5 and name  HB2 ) ( resid   6 and name   HN ) 4.59 4.59 0.00 
		peak 118
assign ( resid   5 and name  HB1 ) ( resid   6 and name   HN ) 4.59 4.59 0.00 
		peak 118
assign ( resid   6 and name   HN ) ( resid   6 and name  HB1 ) 3.52 3.52 0.00 
		peak 119
assign ( resid   6 and name   HN ) ( resid   7 and name   HN ) 3.78 3.78 0.00 
		peak 122
assign ( resid   4 and name   HB ) ( resid   5 and name   HN ) 4.10 4.10 0.00 
		peak 125
assign ( resid   5 and name   HN ) ( resid   5 and name  HG2 ) 4.08 4.08 0.00 
		peak 131
assign ( resid   5 and name   HN ) ( resid   5 and name  HG1 ) 4.08 4.08 0.00 
		peak 132
assign ( resid  15 and name  HG2 ) ( resid  16 and name   HN ) 5.01 5.01 0.00 
		peak 135
assign ( resid  11 and name   HN ) ( resid  12 and name   HN ) 3.82 3.82 0.00 
		peak 136
assign ( resid  15 and name   HN ) ( resid  16 and name   HN ) 3.68 3.68 0.00 
		peak 137
assign ( resid   9 and name   HA ) ( resid  12 and name   HN ) 3.87 3.87 0.00 
		peak 139
assign ( resid  11 and name  HB2 ) ( resid  12 and name   HN ) 3.97 3.97 0.00 
		peak 141
assign ( resid  11 and name  HB1 ) ( resid  12 and name   HN ) 3.97 3.97 0.00 
		peak 141
assign ( resid  15 and name  HB2 ) ( resid  16 and name   HN ) 4.45 4.45 0.00 
		peak 142
assign ( resid  15 and name  HB1 ) ( resid  16 and name   HN ) 4.45 4.45 0.00 
		peak 142
assign ( resid  15 and name  HG1 ) ( resid  16 and name   HN ) 5.01 5.01 0.00 
		peak 143
assign ( resid  12 and name   HN ) ( resid  12 and name  HB+ ) 2.98 2.98 0.00 
		peak 144
assign ( resid  16 and name   HN ) ( resid  17 and name   HN ) 3.74 3.74 0.00 
		peak 145
assign ( resid  13 and name   HA ) ( resid  16 and name   HN ) 3.95 3.95 0.00 
		peak 146
assign ( resid  16 and name   HN ) ( resid  16 and name  HB1 ) 3.93 3.93 0.00 
		peak 147
assign ( resid  11 and name   HA ) ( resid  13 and name   HN ) 4.46 4.46 0.00 
		peak 148
assign ( resid  12 and name   HN ) ( resid  13 and name   HN ) 3.88 3.88 0.00 
		peak 149
assign ( resid  13 and name   HN ) ( resid  13 and name  HB1 ) 3.95 3.95 0.00 
		peak 151
assign ( resid  13 and name   HN ) ( resid  13 and name  HB2 ) 3.95 3.95 0.00 
		peak 152
assign ( resid  13 and name   HN ) ( resid  14 and name   HN ) 4.21 4.21 0.00 
		peak 159
assign ( resid  53 and name   HA ) ( resid  54 and name   HN ) 3.57 3.57 0.00 
		peak 165
assign ( resid  57 and name   HN ) ( resid  58 and name   HN ) 3.51 3.51 0.00 
		peak 173
assign ( resid  58 and name   HN ) ( resid  58 and name  HB2 ) 2.93 2.93 0.00 
		peak 176
assign ( resid  58 and name   HN ) ( resid  58 and name  HB1 ) 3.82 3.82 0.00 
		peak 177
assign ( resid  58 and name   HN ) ( resid  58 and name HD2+ ) 4.47 4.47 0.00 
		peak 178
assign ( resid  58 and name   HN ) ( resid  58 and name HD1+ ) 4.47 4.47 0.00 
		peak 179
assign ( resid  37 and name   HN ) ( resid  37 and name  HB2 ) 3.88 3.88 0.00 
		peak 187
assign ( resid  37 and name   HN ) ( resid  37 and name  HB1 ) 3.88 3.88 0.00 
		peak 188
assign ( resid  36 and name  HB2 ) ( resid  37 and name   HN ) 4.09 4.09 0.00 
		peak 190
assign ( resid  19 and name  HB1 ) ( resid  20 and name   HN ) 4.14 4.14 0.00 
		peak 192
assign ( resid  18 and name HG2+ ) ( resid  20 and name   HN ) 5.27 5.27 0.00 
		peak 193
assign ( resid  20 and name   HN ) ( resid  20 and name HD1+ ) 4.09 4.09 0.00 
		peak 194
assign ( resid  20 and name   HN ) ( resid  20 and name   HG ) 3.73 3.73 0.00 
		peak 196
assign ( resid  19 and name   HN ) ( resid  20 and name   HN ) 3.80 3.80 0.00 
		peak 199
assign ( resid  55 and name   HN ) ( resid  55 and name  HD+ ) 3.94 3.94 0.00 
		peak 204
assign ( resid  54 and name   HA ) ( resid  55 and name   HN ) 3.33 3.33 0.00 
		peak 207
assign ( resid  55 and name   HN ) ( resid  55 and name  HB2 ) 3.67 3.67 0.00 
		peak 208
assign ( resid  55 and name   HN ) ( resid  55 and name  HB1 ) 3.67 3.67 0.00 
		peak 209
assign ( resid  56 and name   HA ) ( resid  59 and name   HN ) 4.21 4.21 0.00 
		peak 213
assign ( resid  59 and name   HN ) ( resid  59 and name  HG2 ) 3.92 3.92 0.00 
		peak 214
assign ( resid  58 and name  HB1 ) ( resid  59 and name   HN ) 4.08 4.08 0.00 
		peak 216
assign ( resid  52 and name   HN ) ( resid  52 and name   HA ) 2.90 2.90 0.00 
		peak 219
assign ( resid  58 and name HD2+ ) ( resid  59 and name   HN ) 4.82 4.82 0.00 
		peak 223
assign ( resid  57 and name   HN ) ( resid  59 and name   HN ) 4.44 4.44 0.00 
		peak 225
assign ( resid  52 and name   HN ) ( resid  52 and name  HB1 ) 3.28 3.28 0.00 
		peak 226
assign ( resid  41 and name   HN ) ( resid  42 and name   HN ) 4.01 4.01 0.00 
		peak 228
assign ( resid  40 and name  HB2 ) ( resid  41 and name   HN ) 4.09 4.09 0.00 
		peak 230
assign ( resid  40 and name   HN ) ( resid  41 and name   HN ) 3.97 3.97 0.00 
		peak 232
assign ( resid  40 and name  HB1 ) ( resid  41 and name   HN ) 4.09 4.09 0.00 
		peak 235
assign ( resid  41 and name   HN ) ( resid  41 and name HD1+ ) 4.35 4.35 0.00 
		peak 237
assign ( resid  21 and name   HB ) ( resid  22 and name   HN ) 3.56 3.56 0.00 
		peak 240
assign ( resid  21 and name HG2+ ) ( resid  22 and name   HN ) 4.14 4.14 0.00 
		peak 241
assign ( resid  21 and name   HN ) ( resid  22 and name   HN ) 3.77 3.77 0.00 
		peak 242
assign ( resid  22 and name   HN ) ( resid  22 and name  HB1 ) 3.76 3.76 0.00 
		peak 243
assign ( resid  21 and name HG1+ ) ( resid  22 and name   HN ) 4.14 4.14 0.00 
		peak 244
assign ( resid  22 and name   HN ) ( resid  22 and name  HG1 ) 3.98 3.98 0.00 
		peak 246
assign ( resid  44 and name   HG ) ( resid  45 and name   HN ) 4.82 4.82 0.00 
		peak 247
assign ( resid   6 and name   HG ) ( resid  45 and name   HN ) 4.95 4.95 0.00 
		peak 249
assign ( resid  45 and name   HN ) ( resid  45 and name HD1+ ) 4.47 4.47 0.00 
		peak 250
assign ( resid  45 and name   HN ) ( resid  45 and name HD2+ ) 4.47 4.47 0.00 
		peak 250
assign ( resid  44 and name   HN ) ( resid  45 and name   HN ) 3.89 3.89 0.00 
		peak 251
assign ( resid  18 and name   HA ) ( resid  21 and name   HN ) 4.19 4.19 0.00 
		peak 255
assign ( resid  20 and name  HB2 ) ( resid  21 and name   HN ) 4.10 4.10 0.00 
		peak 256
assign ( resid  21 and name   HN ) ( resid  21 and name   HB ) 3.57 3.57 0.00 
		peak 258
assign ( resid  21 and name   HN ) ( resid  21 and name HG1+ ) 3.92 3.92 0.00 
		peak 259
assign ( resid  20 and name   HN ) ( resid  21 and name   HN ) 4.25 4.25 0.00 
		peak 260
assign ( resid  16 and name  HG1 ) ( resid  17 and name   HN ) 4.74 4.74 0.00 
		peak 266
assign ( resid  17 and name   HN ) ( resid  17 and name  HB1 ) 3.66 3.66 0.00 
		peak 267
assign ( resid  16 and name  HG2 ) ( resid  17 and name   HN ) 4.74 4.74 0.00 
		peak 269
assign ( resid  17 and name   HN ) ( resid  17 and name  HB2 ) 3.80 3.80 0.00 
		peak 270
assign ( resid  17 and name   HN ) ( resid  17 and name HD1+ ) 4.30 4.30 0.00 
		peak 271
assign ( resid  17 and name   HN ) ( resid  18 and name   HN ) 4.15 4.15 0.00 
		peak 274
assign ( resid  17 and name   HN ) ( resid  17 and name HD2+ ) 4.30 4.30 0.00 
		peak 275
assign ( resid  41 and name  HB2 ) ( resid  42 and name   HN ) 4.29 4.29 0.00 
		peak 280
assign ( resid  30 and name   HN ) ( resid  31 and name   HN ) 4.23 4.23 0.00 
		peak 287
assign ( resid  31 and name   HN ) ( resid  32 and name   HN ) 3.75 3.75 0.00 
		peak 288
assign ( resid  31 and name   HN ) ( resid  31 and name   HB ) 3.81 3.81 0.00 
		peak 290
assign ( resid  31 and name   HN ) ( resid  31 and name HG2+ ) 4.24 4.24 0.00 
		peak 292
assign ( resid  48 and name   HN ) ( resid  48 and name  HB2 ) 3.98 3.98 0.00 
		peak 298
assign ( resid  48 and name   HN ) ( resid  48 and name  HB1 ) 3.98 3.98 0.00 
		peak 299
assign ( resid  48 and name   HN ) ( resid  48 and name HD2+ ) 5.28 5.28 0.00 
		peak 300
assign ( resid  13 and name  HB1 ) ( resid  14 and name   HN ) 4.37 4.37 0.00 
		peak 303
assign ( resid  14 and name   HN ) ( resid  14 and name  HG1 ) 3.99 3.99 0.00 
		peak 304
assign ( resid  14 and name   HN ) ( resid  38 and name   HG ) 4.88 4.88 0.00 
		peak 306
assign ( resid  14 and name   HN ) ( resid  14 and name  HG2 ) 3.99 3.99 0.00 
		peak 307
assign ( resid  12 and name   HN ) ( resid  14 and name   HN ) 4.87 4.87 0.00 
		peak 309
assign ( resid  14 and name   HN ) ( resid  16 and name   HN ) 5.19 5.19 0.00 
		peak 309
assign ( resid  40 and name   HN ) ( resid  40 and name  HB2 ) 3.77 3.77 0.00 
		peak 317
assign ( resid  39 and name   HN ) ( resid  40 and name   HN ) 4.08 4.08 0.00 
		peak 318
assign ( resid  40 and name   HN ) ( resid  40 and name  HB1 ) 3.77 3.77 0.00 
		peak 320
assign ( resid  59 and name   HA ) ( resid  60 and name   HN ) 3.30 3.30 0.00 
		peak 322
assign ( resid  60 and name   HN ) ( resid  60 and name  HB1 ) 3.83 3.83 0.00 
		peak 323
assign ( resid  59 and name   HN ) ( resid  60 and name   HN ) 4.08 4.08 0.00 
		peak 324
assign ( resid  60 and name   HN ) ( resid  60 and name  HB2 ) 3.83 3.83 0.00 
		peak 326
assign ( resid  59 and name  HB2 ) ( resid  60 and name   HN ) 5.20 5.20 0.00 
		peak 327
assign ( resid  59 and name  HB1 ) ( resid  60 and name   HN ) 5.20 5.20 0.00 
		peak 327
assign ( resid   7 and name   HN ) ( resid   8 and name   HN ) 3.80 3.80 0.00 
		peak 328
assign ( resid   8 and name   HN ) ( resid   8 and name  HB1 ) 3.73 3.73 0.00 
		peak 330
assign ( resid   5 and name   HA ) ( resid   8 and name   HN ) 3.82 3.82 0.00 
		peak 332
assign ( resid   7 and name  HB1 ) ( resid   8 and name   HN ) 4.13 4.13 0.00 
		peak 333
assign ( resid  19 and name   HN ) ( resid  19 and name  HB1 ) 3.56 3.56 0.00 
		peak 337
assign ( resid  18 and name   HN ) ( resid  19 and name   HN ) 3.72 3.72 0.00 
		peak 339
assign ( resid  19 and name   HN ) ( resid  19 and name  HB2 ) 3.68 3.68 0.00 
		peak 341
assign ( resid  18 and name   HB ) ( resid  19 and name   HN ) 3.80 3.80 0.00 
		peak 342
assign ( resid  18 and name HG2+ ) ( resid  19 and name   HN ) 3.84 3.84 0.00 
		peak 343
assign ( resid  38 and name   HN ) ( resid  39 and name   HN ) 3.99 3.99 0.00 
		peak 344
assign ( resid  36 and name   HA ) ( resid  39 and name   HN ) 3.99 3.99 0.00 
		peak 346
assign ( resid  39 and name   HN ) ( resid  39 and name  HB1 ) 3.76 3.76 0.00 
		peak 347
assign ( resid  38 and name  HB1 ) ( resid  39 and name   HN ) 4.16 4.16 0.00 
		peak 348
assign ( resid  39 and name   HN ) ( resid  39 and name  HB2 ) 3.76 3.76 0.00 
		peak 350
assign ( resid  11 and name   HN ) ( resid  11 and name  HG2 ) 5.13 5.13 0.00 
		peak 351
assign ( resid  11 and name   HN ) ( resid  11 and name  HG1 ) 5.13 5.13 0.00 
		peak 351
assign ( resid  10 and name HG2+ ) ( resid  11 and name   HN ) 4.01 4.01 0.00 
		peak 352
assign ( resid  10 and name   HN ) ( resid  11 and name   HN ) 3.95 3.95 0.00 
		peak 353
assign ( resid  10 and name   HB ) ( resid  11 and name   HN ) 3.84 3.84 0.00 
		peak 356
assign ( resid   8 and name   HN ) ( resid  11 and name   HN ) 5.04 5.04 0.00 
		peak 357
assign ( resid   8 and name   HA ) ( resid  11 and name   HN ) 4.11 4.11 0.00 
		peak 358
assign ( resid  48 and name   HN ) ( resid  49 and name   HN ) 4.10 4.10 0.00 
		peak 359
assign ( resid  49 and name   HN ) ( resid  49 and name  HG1 ) 4.95 4.95 0.00 
		peak 361
assign ( resid  48 and name HD1+ ) ( resid  49 and name   HN ) 5.50 5.50 0.00 
		peak 362
assign ( resid  48 and name HD2+ ) ( resid  49 and name   HN ) 5.50 5.50 0.00 
		peak 362
assign ( resid  46 and name   HN ) ( resid  47 and name   HN ) 3.91 3.91 0.00 
		peak 370
assign ( resid  45 and name   HN ) ( resid  46 and name   HN ) 3.92 3.92 0.00 
		peak 372
assign ( resid  46 and name   HN ) ( resid  46 and name HG11 ) 4.24 4.24 0.00 
		peak 373
assign ( resid  46 and name   HN ) ( resid  46 and name HG12 ) 4.24 4.24 0.00 
		peak 374
assign ( resid   7 and name   HN ) ( resid   9 and name   HN ) 4.72 4.72 0.00 
		peak 375
assign ( resid   4 and name   HA ) ( resid   7 and name   HN ) 3.97 3.97 0.00 
		peak 377
assign ( resid   7 and name   HN ) ( resid  10 and name HD1+ ) 4.16 4.16 0.00 
		peak 378
assign ( resid   7 and name   HN ) ( resid   7 and name  HB1 ) 3.63 3.63 0.00 
		peak 380
assign ( resid   6 and name  HB2 ) ( resid   7 and name   HN ) 4.01 4.01 0.00 
		peak 381
assign ( resid   7 and name   HN ) ( resid   7 and name  HB2 ) 3.63 3.63 0.00 
		peak 385
assign ( resid   6 and name   HG ) ( resid   7 and name   HN ) 4.99 4.99 0.00 
		peak 386
assign ( resid  14 and name   HN ) ( resid  15 and name   HN ) 3.81 3.81 0.00 
		peak 388
assign ( resid  15 and name   HN ) ( resid  15 and name  HG2 ) 3.91 3.91 0.00 
		peak 392
assign ( resid  15 and name   HN ) ( resid  15 and name  HG1 ) 3.91 3.91 0.00 
		peak 395
assign ( resid  17 and name  HB1 ) ( resid  18 and name   HN ) 4.03 4.03 0.00 
		peak 398
assign ( resid  18 and name   HN ) ( resid  18 and name   HB ) 3.54 3.54 0.00 
		peak 399
assign ( resid  18 and name   HN ) ( resid  18 and name HG12 ) 3.93 3.93 0.00 
		peak 401
assign ( resid  23 and name   HN ) ( resid  24 and name   HN ) 3.80 3.80 0.00 
		peak 405
assign ( resid  22 and name  HB2 ) ( resid  23 and name   HN ) 4.14 4.14 0.00 
		peak 406
assign ( resid  23 and name   HN ) ( resid  23 and name  HG2 ) 4.21 4.21 0.00 
		peak 407
assign ( resid  22 and name   HN ) ( resid  23 and name   HN ) 3.71 3.71 0.00 
		peak 408
assign ( resid  23 and name   HN ) ( resid  23 and name  HB2 ) 3.70 3.70 0.00 
		peak 410
assign ( resid  23 and name   HN ) ( resid  23 and name  HB1 ) 3.70 3.70 0.00 
		peak 412
assign ( resid  23 and name   HN ) ( resid  23 and name  HG1 ) 4.21 4.21 0.00 
		peak 413
assign ( resid   2 and name   HA ) ( resid   4 and name   HN ) 4.19 4.19 0.00 
		peak 415
assign ( resid   4 and name   HN ) ( resid   4 and name   HB ) 3.48 3.48 0.00 
		peak 417
assign ( resid   3 and name   HN ) ( resid   4 and name   HN ) 3.84 3.84 0.00 
		peak 418
assign ( resid  43 and name   HN ) ( resid  44 and name   HG ) 4.73 4.73 0.00 
		peak 421
assign ( resid   4 and name   HN ) ( resid   4 and name HG2+ ) 3.66 3.66 0.00 
		peak 422
assign ( resid   3 and name HG1+ ) ( resid   4 and name   HN ) 4.19 4.19 0.00 
		peak 423
assign ( resid  56 and name   HN ) ( resid  56 and name  HB2 ) 4.20 4.20 0.00 
		peak 430
assign ( resid  55 and name  HD+ ) ( resid  56 and name   HN ) 4.64 4.64 0.00 
		peak 431
assign ( resid  26 and name   HN ) ( resid  26 and name  HD+ ) 4.21 4.21 0.00 
		peak 432
assign ( resid  26 and name   HN ) ( resid  26 and name  HB2 ) 3.87 3.87 0.00 
		peak 438
assign ( resid  34 and name  HB1 ) ( resid  35 and name   HN ) 4.27 4.27 0.00 
		peak 442
assign ( resid  35 and name   HN ) ( resid  36 and name   HN ) 4.09 4.09 0.00 
		peak 444
assign ( resid  35 and name   HN ) ( resid  35 and name  HB2 ) 3.80 3.80 0.00 
		peak 446
assign ( resid  35 and name   HN ) ( resid  35 and name  HB1 ) 3.80 3.80 0.00 
		peak 446
assign ( resid  21 and name   HA ) ( resid  24 and name   HN ) 4.23 4.23 0.00 
		peak 447
assign ( resid  23 and name  HB1 ) ( resid  24 and name   HN ) 4.24 4.24 0.00 
		peak 450
assign ( resid  32 and name HG2+ ) ( resid  33 and name   HN ) 3.87 3.87 0.00 
		peak 454
assign ( resid  32 and name   HB ) ( resid  33 and name   HN ) 3.72 3.72 0.00 
		peak 460
assign ( resid  49 and name   HN ) ( resid  50 and name   HN ) 3.83 3.83 0.00 
		peak 461
assign ( resid  50 and name   HN ) ( resid  50 and name   HB ) 3.84 3.84 0.00 
		peak 462
assign ( resid  49 and name  HB2 ) ( resid  50 and name   HN ) 4.51 4.51 0.00 
		peak 465
assign ( resid  49 and name  HB1 ) ( resid  50 and name   HN ) 4.51 4.51 0.00 
		peak 465
assign ( resid  50 and name   HN ) ( resid  50 and name HG2+ ) 3.96 3.96 0.00 
		peak 466
assign ( resid  32 and name HG2+ ) ( resid  36 and name HE22 ) 3.97 3.97 0.00 
		peak 478
assign ( resid  32 and name HG2+ ) ( resid  36 and name HE21 ) 3.97 3.97 0.00 
		peak 480
assign ( resid  23 and name   HA ) ( resid  25 and name   HN ) 5.00 5.00 0.00 
		peak 483
assign ( resid  21 and name   HA ) ( resid  25 and name   HN ) 3.82 3.82 0.00 
		peak 484
assign ( resid  24 and name   HN ) ( resid  25 and name   HN ) 3.71 3.71 0.00 
		peak 485
assign ( resid  25 and name   HN ) ( resid  26 and name   HN ) 4.72 4.72 0.00 
		peak 486
assign ( resid  26 and name   HN ) ( resid  27 and name   HN ) 4.64 4.64 0.00 
		peak 491
assign ( resid  27 and name   HN ) ( resid  27 and name   HB ) 3.96 3.96 0.00 
		peak 494
assign ( resid  26 and name  HB1 ) ( resid  27 and name   HN ) 4.81 4.81 0.00 
		peak 496
assign ( resid  37 and name   HN ) ( resid  38 and name   HN ) 4.07 4.07 0.00 
		peak 507
assign ( resid  38 and name   HN ) ( resid  38 and name  HB1 ) 3.87 3.87 0.00 
		peak 508
assign ( resid  37 and name  HB2 ) ( resid  38 and name   HN ) 4.24 4.24 0.00 
		peak 509
assign ( resid  38 and name   HN ) ( resid  38 and name  HB2 ) 3.87 3.87 0.00 
		peak 510
assign ( resid  38 and name   HN ) ( resid  38 and name   HG ) 4.80 4.80 0.00 
		peak 514
assign ( resid  43 and name   HN ) ( resid  44 and name  HB2 ) 4.85 4.85 0.00 
		peak 515
assign ( resid  42 and name   HN ) ( resid  43 and name   HN ) 3.88 3.88 0.00 
		peak 516
assign ( resid  43 and name   HN ) ( resid  44 and name   HN ) 3.71 3.71 0.00 
		peak 517
assign ( resid  40 and name   HA ) ( resid  43 and name   HN ) 4.28 4.28 0.00 
		peak 518
assign ( resid  43 and name   HN ) ( resid  43 and name  HB1 ) 3.74 3.74 0.00 
		peak 519
assign ( resid  43 and name   HN ) ( resid  43 and name  HB2 ) 3.74 3.74 0.00 
		peak 520
assign ( resid  42 and name  HB1 ) ( resid  43 and name   HN ) 4.10 4.10 0.00 
		peak 524
assign ( resid  36 and name   HN ) ( resid  36 and name  HG2 ) 4.02 4.02 0.00 
		peak 526
assign ( resid  36 and name   HN ) ( resid  37 and name   HN ) 3.85 3.85 0.00 
		peak 527
assign ( resid  36 and name   HN ) ( resid  36 and name  HB2 ) 3.82 3.82 0.00 
		peak 529
assign ( resid  36 and name   HN ) ( resid  36 and name  HG1 ) 4.02 4.02 0.00 
		peak 531
assign ( resid  36 and name   HN ) ( resid  36 and name  HB1 ) 3.82 3.82 0.00 
		peak 532
assign ( resid  46 and name   HN ) ( resid  46 and name   HB ) 3.68 3.68 0.00 
		peak 559
assign ( resid  46 and name   HN ) ( resid  46 and name HD1+ ) 3.56 3.56 0.00 
		peak 560
assign ( resid  17 and name   HA ) ( resid  21 and name   HN ) 4.97 4.97 0.00 
		peak 574
assign ( resid  48 and name  HB1 ) ( resid  49 and name   HN ) 4.71 4.71 0.00 
		peak 584
assign ( resid  57 and name   HN ) ( resid  57 and name  HB1 ) 3.68 3.68 0.00 
		peak 597
assign ( resid  20 and name   HA ) ( resid  23 and name   HN ) 4.12 4.12 0.00 
		peak 599
assign ( resid   4 and name   HN ) ( resid   5 and name   HN ) 3.49 3.49 0.00 
		peak 609
assign ( resid  10 and name HG2+ ) ( resid  12 and name   HN ) 5.50 5.50 0.00 
		peak 626
assign ( resid  16 and name   HN ) ( resid  18 and name HD1+ ) 5.50 5.50 0.00 
		peak 626
assign ( resid  10 and name HG2+ ) ( resid  13 and name   HN ) 4.54 4.54 0.00 
		peak 628
assign ( resid  19 and name  HB2 ) ( resid  20 and name   HN ) 4.25 4.25 0.00 
		peak 640
assign ( resid  20 and name  HB1 ) ( resid  21 and name   HN ) 4.10 4.10 0.00 
		peak 642
assign ( resid  20 and name   HN ) ( resid  22 and name   HN ) 4.28 4.28 0.00 
		peak 644
assign ( resid  23 and name   HN ) ( resid  25 and name   HN ) 4.27 4.27 0.00 
		peak 647
assign ( resid  26 and name  HB2 ) ( resid  27 and name   HN ) 4.81 4.81 0.00 
		peak 656
assign ( resid  34 and name   HN ) ( resid  35 and name   HN ) 3.95 3.95 0.00 
		peak 670
assign ( resid  33 and name   HN ) ( resid  34 and name   HN ) 3.88 3.88 0.00 
		peak 671
assign ( resid  34 and name   HN ) ( resid  34 and name  HD+ ) 4.08 4.08 0.00 
		peak 673
assign ( resid  32 and name HG2+ ) ( resid  36 and name   HN ) 4.21 4.21 0.00 
		peak 677
assign ( resid  37 and name  HB1 ) ( resid  38 and name   HN ) 4.24 4.24 0.00 
		peak 683
assign ( resid  38 and name  HB2 ) ( resid  39 and name   HN ) 4.16 4.16 0.00 
		peak 687
assign ( resid  41 and name HD1+ ) ( resid  42 and name   HN ) 5.50 5.50 0.00 
		peak 696
assign ( resid  43 and name   HA ) ( resid  45 and name   HN ) 4.53 4.53 0.00 
		peak 706
assign ( resid  44 and name  HB2 ) ( resid  45 and name   HN ) 3.82 3.82 0.00 
		peak 708
assign ( resid  48 and name   HN ) ( resid  50 and name   HN ) 4.52 4.52 0.00 
		peak 718
assign ( resid  53 and name   HN ) ( resid  54 and name   HN ) 3.59 3.59 0.00 
		peak 724
assign ( resid  58 and name   HN ) ( resid  59 and name   HN ) 3.26 3.26 0.00 
		peak 734
assign ( resid  28 and name   HN ) ( resid  29 and name   HN ) 4.77 4.77 0.00 
		peak 764
assign ( resid  36 and name  HB1 ) ( resid  37 and name   HN ) 4.09 4.09 0.00 
		peak 770
assign ( resid  35 and name   HA ) ( resid  38 and name   HN ) 3.99 3.99 0.00 
		peak 771
assign ( resid  41 and name  HB1 ) ( resid  42 and name   HN ) 4.29 4.29 0.00 
		peak 777
assign ( resid  19 and name   HN ) ( resid  20 and name   HG ) 5.14 5.14 0.00 
		peak 779
assign ( resid  32 and name   HA ) ( resid  32 and name HD1+ ) 4.05 4.05 0.00 
		peak 8
assign ( resid  32 and name   HB ) ( resid  32 and name HD1+ ) 3.62 3.62 0.00 
		peak 9
assign ( resid  20 and name HD2+ ) ( resid  24 and name  HE+ ) 3.31 3.31 0.00 
		peak 12
assign ( resid  48 and name   HA ) ( resid  48 and name HD2+ ) 3.38 3.38 0.00 
		peak 19
assign ( resid  32 and name HG2+ ) ( resid  32 and name HG12 ) 3.91 3.91 0.00 
		peak 24
assign ( resid  46 and name   HA ) ( resid  46 and name HD1+ ) 4.10 4.10 0.00 
		peak 30
assign ( resid  46 and name   HB ) ( resid  46 and name HD1+ ) 3.12 3.12 0.00 
		peak 31
assign ( resid  10 and name   HA ) ( resid  10 and name HG2+ ) 3.80 3.80 0.00 
		peak 34
assign ( resid   6 and name   HG ) ( resid  44 and name HD1+ ) 4.05 4.05 0.00 
		peak 44
assign ( resid  31 and name   HA ) ( resid  31 and name HG2+ ) 3.67 3.67 0.00 
		peak 51
assign ( resid  27 and name   HA ) ( resid  27 and name HG2+ ) 3.34 3.34 0.00 
		peak 54
assign ( resid   3 and name HG2+ ) ( resid   4 and name HG2+ ) 3.99 3.99 0.00 
		peak 63
assign ( resid   6 and name   HA ) ( resid   6 and name   HG ) 4.19 4.19 0.00 
		peak 85
assign ( resid  12 and name  HB+ ) ( resid  13 and name   HN ) 3.40 3.40 0.00 
		peak 89
assign ( resid  15 and name   HA ) ( resid  15 and name  HD2 ) 5.05 5.05 0.00 
		peak 102
assign ( resid  53 and name  HB2 ) ( resid  54 and name   HN ) 4.68 4.68 0.00 
		peak 110
assign ( resid  53 and name  HB1 ) ( resid  54 and name   HN ) 5.10 5.10 0.00 
		peak 110
assign ( resid  53 and name   HN ) ( resid  53 and name  HB1 ) 3.50 3.50 0.00 
		peak 111
assign ( resid  18 and name   HB ) ( resid  18 and name HD1+ ) 3.74 3.74 0.00 
		peak 128
assign ( resid  22 and name   HN ) ( resid  22 and name  HB2 ) 3.76 3.76 0.00 
		peak 130
assign ( resid  59 and name   HA ) ( resid  59 and name  HG1 ) 4.13 4.13 0.00 
		peak 158
assign ( resid  21 and name   HA ) ( resid  21 and name HG2+ ) 3.48 3.48 0.00 
		peak 191
assign ( resid  31 and name   HA ) ( resid  31 and name HG1+ ) 3.67 3.67 0.00 
		peak 193
assign ( resid  18 and name   HA ) ( resid  18 and name HG2+ ) 3.28 3.28 0.00 
		peak 194
assign ( resid  18 and name   HA ) ( resid  18 and name HG12 ) 3.99 3.99 0.00 
		peak 195
assign ( resid  46 and name   HA ) ( resid  46 and name HG2+ ) 3.27 3.27 0.00 
		peak 197
assign ( resid  46 and name   HA ) ( resid  46 and name HG12 ) 3.93 3.93 0.00 
		peak 198
assign ( resid  32 and name   HA ) ( resid  32 and name HG2+ ) 3.46 3.46 0.00 
		peak 199
assign ( resid   3 and name   HA ) ( resid   3 and name HG1+ ) 3.50 3.50 0.00 
		peak 202
assign ( resid  15 and name   HA ) ( resid  15 and name  HG1 ) 4.22 4.22 0.00 
		peak 221
assign ( resid  15 and name   HA ) ( resid  15 and name  HD1 ) 5.05 5.05 0.00 
		peak 221
assign ( resid  15 and name   HA ) ( resid  15 and name  HG2 ) 4.22 4.22 0.00 
		peak 222
assign ( resid  48 and name   HA ) ( resid  48 and name HD1+ ) 3.38 3.38 0.00 
		peak 226
assign ( resid  59 and name   HA ) ( resid  59 and name  HG2 ) 4.13 4.13 0.00 
		peak 233
assign ( resid   9 and name   HA ) ( resid   9 and name  HG1 ) 3.98 3.98 0.00 
		peak 243
assign ( resid   9 and name   HA ) ( resid  12 and name  HB+ ) 4.04 4.04 0.00 
		peak 243
assign ( resid   5 and name   HA ) ( resid   8 and name  HB1 ) 4.04 4.04 0.00 
		peak 246
assign ( resid  44 and name   HA ) ( resid  47 and name  HB2 ) 4.35 4.35 0.00 
		peak 252
assign ( resid  44 and name   HA ) ( resid  47 and name  HB1 ) 4.35 4.35 0.00 
		peak 252
assign ( resid  29 and name   HA ) ( resid  32 and name   HB ) 3.90 3.90 0.00 
		peak 253
assign ( resid   7 and name   HA ) ( resid  10 and name   HB ) 3.92 3.92 0.00 
		peak 272
assign ( resid   8 and name   HA ) ( resid  11 and name  HB2 ) 4.83 4.83 0.00 
		peak 272
assign ( resid  56 and name   HA ) ( resid  57 and name   HN ) 3.52 3.52 0.00 
		peak 275
assign ( resid  55 and name   HA ) ( resid  56 and name   HA ) 5.13 5.13 0.00 
		peak 280
assign ( resid  43 and name   HA ) ( resid  46 and name HD1+ ) 3.50 3.50 0.00 
		peak 284
assign ( resid  10 and name HD1+ ) ( resid  42 and name   HA ) 3.80 3.80 0.00 
		peak 296
assign ( resid  10 and name   HB ) ( resid  10 and name HD1+ ) 3.42 3.42 0.00 
		peak 297
assign ( resid   4 and name   HA ) ( resid   4 and name HG2+ ) 3.20 3.20 0.00 
		peak 312
assign ( resid  17 and name HD1+ ) ( resid  34 and name  HD+ ) 4.97 4.97 0.00 
		peak 316
assign ( resid  17 and name   HA ) ( resid  17 and name HD1+ ) 4.46 4.46 0.00 
		peak 317
assign ( resid  41 and name  HB1 ) ( resid  41 and name HD2+ ) 4.10 4.10 0.00 
		peak 326
assign ( resid  41 and name   HA ) ( resid  44 and name  HB2 ) 4.18 4.18 0.00 
		peak 362
assign ( resid  44 and name  HB2 ) ( resid  44 and name HD1+ ) 3.27 3.27 0.00 
		peak 363
assign ( resid  44 and name  HB1 ) ( resid  44 and name HD1+ ) 3.76 3.76 0.00 
		peak 367
assign ( resid  57 and name  HB1 ) ( resid  57 and name HD2+ ) 3.91 3.91 0.00 
		peak 372
assign ( resid  21 and name   HA ) ( resid  21 and name HG1+ ) 3.48 3.48 0.00 
		peak 442
assign ( resid  29 and name   HA ) ( resid  32 and name HD1+ ) 3.89 3.89 0.00 
		peak 444
assign ( resid  20 and name HD2+ ) ( resid  24 and name  HB2 ) 4.91 4.91 0.00 
		peak 446
assign ( resid  18 and name   HN ) ( resid  18 and name HG2+ ) 3.98 3.98 0.00 
		peak 447
assign ( resid  32 and name HG2+ ) ( resid  33 and name   HA ) 3.70 3.70 0.00 
		peak 448
assign ( resid  18 and name   HA ) ( resid  18 and name HD1+ ) 3.96 3.96 0.00 
		peak 452
assign ( resid  21 and name   HA ) ( resid  31 and name HG1+ ) 4.34 4.34 0.00 
		peak 454
assign ( resid  11 and name  HB2 ) ( resid  12 and name  HB+ ) 5.14 5.14 0.00 
		peak 464
assign ( resid  11 and name  HB1 ) ( resid  12 and name  HB+ ) 5.14 5.14 0.00 
		peak 464
assign ( resid  58 and name   HN ) ( resid  58 and name   HG ) 4.26 4.26 0.00 
		peak 465
assign ( resid  46 and name   HA ) ( resid  46 and name HG11 ) 3.93 3.93 0.00 
		peak 472
assign ( resid  48 and name   HN ) ( resid  48 and name   HG ) 4.70 4.70 0.00 
		peak 476
assign ( resid  41 and name   HN ) ( resid  41 and name   HG ) 4.29 4.29 0.00 
		peak 478
assign ( resid   8 and name   HA ) ( resid  11 and name  HB1 ) 4.83 4.83 0.00 
		peak 490
assign ( resid  36 and name   HA ) ( resid  36 and name  HG2 ) 3.87 3.87 0.00 
		peak 503
assign ( resid  36 and name   HA ) ( resid  39 and name  HB1 ) 4.35 4.35 0.00 
		peak 509
assign ( resid  54 and name   HA ) ( resid  54 and name  HD2 ) 5.26 5.26 0.00 
		peak 512
assign ( resid  54 and name   HA ) ( resid  54 and name  HD1 ) 5.26 5.26 0.00 
		peak 512
assign ( resid   6 and name   HA ) ( resid   9 and name  HD2 ) 5.30 5.30 0.00 
		peak 514
assign ( resid  18 and name   HA ) ( resid  18 and name HG11 ) 3.99 3.99 0.00 
		peak 518
assign ( resid  18 and name   HA ) ( resid  21 and name   HB ) 3.84 3.84 0.00 
		peak 519
assign ( resid  32 and name   HA ) ( resid  35 and name  HB2 ) 4.75 4.75 0.00 
		peak 522
assign ( resid  32 and name   HA ) ( resid  35 and name  HB1 ) 4.75 4.75 0.00 
		peak 522
assign ( resid   3 and name   HA ) ( resid   6 and name  HB2 ) 4.22 4.22 0.00 
		peak 525
assign ( resid  38 and name   HA ) ( resid  41 and name HD2+ ) 4.88 4.88 0.00 
		peak 534
assign ( resid  38 and name   HA ) ( resid  41 and name HD1+ ) 4.88 4.88 0.00 
		peak 535
assign ( resid  14 and name   HA ) ( resid  38 and name   HG ) 4.37 4.37 0.00 
		peak 536
assign ( resid  47 and name   HA ) ( resid  50 and name   HB ) 4.35 4.35 0.00 
		peak 542
assign ( resid  16 and name   HA ) ( resid  19 and name   HN ) 4.03 4.03 0.00 
		peak 549
assign ( resid  16 and name   HA ) ( resid  19 and name  HB1 ) 4.15 4.15 0.00 
		peak 550
assign ( resid   8 and name   HA ) ( resid   9 and name   HA ) 4.97 4.97 0.00 
		peak 554
assign ( resid   9 and name   HA ) ( resid   9 and name  HD2 ) 5.44 5.44 0.00 
		peak 555
assign ( resid   9 and name   HA ) ( resid   9 and name  HD1 ) 5.44 5.44 0.00 
		peak 555
assign ( resid  18 and name   HB ) ( resid  19 and name   HA ) 4.72 4.72 0.00 
		peak 562
assign ( resid   7 and name   HA ) ( resid  45 and name HD1+ ) 4.44 4.44 0.00 
		peak 566
assign ( resid   7 and name   HA ) ( resid  45 and name HD2+ ) 4.44 4.44 0.00 
		peak 566
assign ( resid   7 and name   HA ) ( resid  10 and name HD1+ ) 3.69 3.69 0.00 
		peak 567
assign ( resid  24 and name   HA ) ( resid  24 and name  HD+ ) 3.80 3.80 0.00 
		peak 575
assign ( resid  55 and name   HA ) ( resid  55 and name  HD+ ) 3.92 3.92 0.00 
		peak 576
assign ( resid  43 and name   HA ) ( resid  46 and name   HB ) 3.64 3.64 0.00 
		peak 579
assign ( resid  10 and name   HA ) ( resid  10 and name HD1+ ) 4.30 4.30 0.00 
		peak 587
assign ( resid   3 and name   HN ) ( resid   3 and name HG2+ ) 3.81 3.81 0.00 
		peak 590
assign ( resid  44 and name  HB1 ) ( resid  44 and name HD2+ ) 4.24 4.24 0.00 
		peak 594
assign ( resid  10 and name HG2+ ) ( resid  14 and name  HD2 ) 4.81 4.81 0.00 
		peak 611
assign ( resid  10 and name HG2+ ) ( resid  14 and name  HD1 ) 4.81 4.81 0.00 
		peak 611
assign ( resid  56 and name   HN ) ( resid  56 and name  HB1 ) 4.20 4.20 0.00 
		peak 634
assign ( resid  17 and name   HA ) ( resid  20 and name HD1+ ) 3.91 3.91 0.00 
		peak 640
assign ( resid   9 and name   HA ) ( resid   9 and name  HG2 ) 3.98 3.98 0.00 
		peak 646
assign ( resid  21 and name HG1+ ) ( resid  26 and name   HA ) 5.11 5.11 0.00 
		peak 649
assign ( resid  32 and name   HN ) ( resid  32 and name HD1+ ) 4.03 4.03 0.00 
		peak 653
assign ( resid  57 and name   HN ) ( resid  57 and name HD1+ ) 4.52 4.52 0.00 
		peak 655
assign ( resid  57 and name  HB1 ) ( resid  57 and name HD1+ ) 3.91 3.91 0.00 
		peak 657
assign ( resid  58 and name HD1+ ) ( resid  59 and name   HN ) 4.82 4.82 0.00 
		peak 658
assign ( resid  20 and name   HN ) ( resid  20 and name HD2+ ) 3.94 3.94 0.00 
		peak 659
assign ( resid  19 and name  HE+ ) ( resid  20 and name HD2+ ) 3.84 3.84 0.00 
		peak 660
assign ( resid  20 and name HD2+ ) ( resid  24 and name  HD+ ) 4.07 4.07 0.00 
		peak 660
assign ( resid  20 and name   HA ) ( resid  20 and name HD2+ ) 3.37 3.37 0.00 
		peak 661
assign ( resid  19 and name  HB1 ) ( resid  20 and name HD2+ ) 4.43 4.43 0.00 
		peak 662
assign ( resid   7 and name  HB2 ) ( resid  45 and name HD2+ ) 5.50 5.50 0.00 
		peak 672
assign ( resid  18 and name   HN ) ( resid  18 and name HD1+ ) 3.93 3.93 0.00 
		peak 674
assign ( resid  10 and name HG2+ ) ( resid  42 and name   HA ) 4.49 4.49 0.00 
		peak 676
assign ( resid  46 and name   HN ) ( resid  46 and name HG2+ ) 4.06 4.06 0.00 
		peak 678
assign ( resid  21 and name HG2+ ) ( resid  26 and name   HA ) 5.11 5.11 0.00 
		peak 681
assign ( resid  44 and name   HA ) ( resid  44 and name HD1+ ) 4.04 4.04 0.00 
		peak 682
assign ( resid  27 and name HG2+ ) ( resid  32 and name HD1+ ) 5.03 5.03 0.00 
		peak 687
assign ( resid  32 and name   HA ) ( resid  32 and name HG11 ) 4.18 4.18 0.00 
		peak 695
assign ( resid   4 and name HG2+ ) ( resid   5 and name   HN ) 4.00 4.00 0.00 
		peak 697
assign ( resid  50 and name   HA ) ( resid  50 and name HG2+ ) 3.42 3.42 0.00 
		peak 700
assign ( resid  39 and name   HA ) ( resid  42 and name  HB1 ) 4.21 4.21 0.00 
		peak 705
assign ( resid  40 and name   HA ) ( resid  40 and name  HG1 ) 4.14 4.14 0.00 
		peak 706
assign ( resid  58 and name   HG ) ( resid  59 and name   HN ) 5.47 5.47 0.00 
		peak 712
assign ( resid  45 and name   HA ) ( resid  45 and name   HG ) 4.23 4.23 0.00 
		peak 720
assign ( resid  53 and name  HB2 ) ( resid  53 and name  HE2 ) 5.20 5.20 0.00 
		peak 722
assign ( resid  53 and name  HB2 ) ( resid  53 and name  HE1 ) 5.20 5.20 0.00 
		peak 722
assign ( resid  40 and name   HA ) ( resid  40 and name  HG2 ) 4.14 4.14 0.00 
		peak 723
assign ( resid  18 and name HG2+ ) ( resid  22 and name  HG1 ) 4.38 4.38 0.00 
		peak 748
assign ( resid  36 and name   HA ) ( resid  36 and name  HG1 ) 3.87 3.87 0.00 
		peak 754
assign ( resid   7 and name  HB2 ) ( resid   8 and name   HN ) 4.13 4.13 0.00 
		peak 757
assign ( resid   7 and name  HB2 ) ( resid  45 and name HD1+ ) 5.50 5.50 0.00 
		peak 760
assign ( resid  20 and name HD1+ ) ( resid  31 and name   HA ) 5.01 5.01 0.00 
		peak 770
assign ( resid  10 and name HG2+ ) ( resid  11 and name   HA ) 3.70 3.70 0.00 
		peak 783
assign ( resid   4 and name   HA ) ( resid   7 and name  HB1 ) 4.49 4.49 0.00 
		peak 784
assign ( resid   4 and name   HA ) ( resid   7 and name  HB2 ) 4.49 4.49 0.00 
		peak 785
assign ( resid  15 and name   HA ) ( resid  18 and name HD1+ ) 3.46 3.46 0.00 
		peak 787
assign ( resid  16 and name   HA ) ( resid  19 and name  HB2 ) 4.25 4.25 0.00 
		peak 788
assign ( resid  17 and name HD2+ ) ( resid  35 and name   HA ) 4.37 4.37 0.00 
		peak 797
assign ( resid   5 and name   HA ) ( resid   8 and name  HB2 ) 4.04 4.04 0.00 
		peak 800
assign ( resid  29 and name   HA ) ( resid  32 and name HG2+ ) 4.49 4.49 0.00 
		peak 805
assign ( resid  12 and name   HA ) ( resid  15 and name   HN ) 4.24 4.24 0.00 
		peak 807
assign ( resid  26 and name   HA ) ( resid  26 and name  HD+ ) 4.15 4.15 0.00 
		peak 816
assign ( resid   6 and name  HB1 ) ( resid   7 and name   HA ) 4.16 4.16 0.00 
		peak 820
assign ( resid  27 and name   HA ) ( resid  32 and name HD1+ ) 3.99 3.99 0.00 
		peak 821
assign ( resid  10 and name   HN ) ( resid  10 and name HD1+ ) 5.00 5.00 0.00 
		peak 837
assign ( resid   3 and name HG2+ ) ( resid   4 and name   HN ) 4.19 4.19 0.00 
		peak 846
assign ( resid   3 and name HG2+ ) ( resid   4 and name   HA ) 3.92 3.92 0.00 
		peak 847
assign ( resid   3 and name   HA ) ( resid   3 and name HG2+ ) 3.65 3.65 0.00 
		peak 848
assign ( resid   3 and name HG1+ ) ( resid   6 and name  HB2 ) 5.29 5.29 0.00 
		peak 854
assign ( resid  17 and name HD1+ ) ( resid  35 and name   HA ) 4.37 4.37 0.00 
		peak 857
assign ( resid  41 and name  HB2 ) ( resid  41 and name HD2+ ) 4.10 4.10 0.00 
		peak 862
assign ( resid  48 and name   HN ) ( resid  48 and name HD1+ ) 5.28 5.28 0.00 
		peak 863
assign ( resid  57 and name   HN ) ( resid  57 and name   HG ) 4.71 4.71 0.00 
		peak 870
assign ( resid  39 and name   HA ) ( resid  42 and name  HB2 ) 4.21 4.21 0.00 
		peak 878
assign ( resid   7 and name  HB1 ) ( resid  45 and name HD1+ ) 5.50 5.50 0.00 
		peak 900
assign ( resid   7 and name  HB1 ) ( resid  45 and name HD2+ ) 5.50 5.50 0.00 
		peak 900
assign ( resid  31 and name   HN ) ( resid  31 and name HG1+ ) 4.24 4.24 0.00 
		peak 918
assign ( resid  32 and name   HA ) ( resid  32 and name HG12 ) 4.25 4.25 0.00 
		peak 935
assign ( resid   2 and name  HB1 ) ( resid   4 and name   HN ) 4.81 4.81 0.00 
		peak 967
assign ( resid  41 and name  HB2 ) ( resid  41 and name HD1+ ) 4.10 4.10 0.00 
		peak 992
assign ( resid  41 and name  HB1 ) ( resid  41 and name HD1+ ) 4.10 4.10 0.00 
		peak 993
assign ( resid  41 and name   HA ) ( resid  41 and name HD1+ ) 4.30 4.30 0.00 
		peak 995
assign ( resid   2 and name   HA ) ( resid   3 and name HG1+ ) 4.38 4.38 0.00 
		peak 999
assign ( resid  10 and name HG2+ ) ( resid  41 and name  HB2 ) 5.07 5.07 0.00 
		peak 1027
assign ( resid  57 and name  HB2 ) ( resid  57 and name HD1+ ) 3.91 3.91 0.00 
		peak 1033
assign ( resid  57 and name  HB2 ) ( resid  57 and name HD2+ ) 3.91 3.91 0.00 
		peak 1033
assign ( resid  15 and name   HA ) ( resid  18 and name   HB ) 4.27 4.27 0.00 
		peak 1042
assign ( resid   6 and name   HN ) ( resid   6 and name   HG ) 4.81 4.81 0.00 
		peak 1095
assign ( resid  44 and name   HN ) ( resid  44 and name  HB1 ) 4.09 4.09 0.00 
		peak 1102
assign ( resid  41 and name   HA ) ( resid  44 and name  HB1 ) 4.93 4.93 0.00 
		peak 1104
assign ( resid   6 and name   HG ) ( resid  44 and name  HB1 ) 4.47 4.47 0.00 
		peak 1105
assign ( resid   6 and name   HG ) ( resid  44 and name  HB2 ) 3.96 3.96 0.00 
		peak 1108
assign ( resid  21 and name   HN ) ( resid  21 and name HG2+ ) 3.92 3.92 0.00 
		peak 1112
assign ( resid  41 and name   HN ) ( resid  41 and name HD2+ ) 4.35 4.35 0.00 
		peak 1117
assign ( resid  41 and name   HA ) ( resid  41 and name HD2+ ) 4.30 4.30 0.00 
		peak 1120
assign ( resid  10 and name HG2+ ) ( resid  41 and name  HB1 ) 5.07 5.07 0.00 
		peak 1127
assign ( resid   2 and name   HA ) ( resid   3 and name HG2+ ) 4.35 4.35 0.00 
		peak 1133
assign ( resid  17 and name   HA ) ( resid  17 and name HD2+ ) 4.46 4.46 0.00 
		peak 1134
assign ( resid  17 and name HD2+ ) ( resid  34 and name  HD+ ) 4.97 4.97 0.00 
		peak 1136
assign ( resid  44 and name  HB1 ) ( resid  45 and name   HN ) 4.45 4.45 0.00 
		peak 1161
assign ( resid  41 and name   HA ) ( resid  44 and name HD1+ ) 4.00 4.00 0.00 
		peak 1180
assign ( resid  32 and name HG2+ ) ( resid  32 and name HD1+ ) 2.77 2.77 0.00 
		peak 1185
assign ( resid  18 and name HG2+ ) ( resid  19 and name   HA ) 4.57 4.57 0.00 
		peak 1190
assign ( resid  43 and name   HA ) ( resid  46 and name HG2+ ) 4.82 4.82 0.00 
		peak 1195
assign ( resid  46 and name HG2+ ) ( resid  47 and name   HA ) 4.40 4.40 0.00 
		peak 1196
assign ( resid  21 and name   HA ) ( resid  31 and name HG2+ ) 4.34 4.34 0.00 
		peak 1201
assign ( resid  52 and name   HA ) ( resid  52 and name  HG2 ) 4.18 4.18 0.00 
		peak 1214
assign ( resid  52 and name  HG1 ) ( resid  53 and name  HB1 ) 4.23 4.23 0.00 
		peak 1216
assign ( resid  52 and name   HA ) ( resid  57 and name   HG ) 4.17 4.17 0.00 
		peak 1224
assign ( resid  44 and name   HA ) ( resid  44 and name   HG ) 3.86 3.86 0.00 
		peak 1226
assign ( resid  32 and name   HN ) ( resid  32 and name   HB ) 4.03 4.03 0.00 
		peak 1232
assign ( resid  52 and name  HB2 ) ( resid  52 and name  HE2 ) 5.50 5.50 0.00 
		peak 1235
assign ( resid  52 and name  HB2 ) ( resid  52 and name  HE1 ) 5.50 5.50 0.00 
		peak 1235
assign ( resid  41 and name   HG ) ( resid  42 and name   HN ) 5.19 5.19 0.00 
		peak 1244
assign ( resid  18 and name HG2+ ) ( resid  22 and name  HG2 ) 4.38 4.38 0.00 
		peak 1277
assign ( resid  39 and name  HB2 ) ( resid  40 and name   HN ) 4.23 4.23 0.00 
		peak 1292
assign ( resid  36 and name   HA ) ( resid  39 and name  HB2 ) 4.35 4.35 0.00 
		peak 1302
assign ( resid  19 and name  HB1 ) ( resid  20 and name   HA ) 4.43 4.43 0.00 
		peak 1319
assign ( resid   6 and name   HA ) ( resid   9 and name  HD1 ) 5.30 5.30 0.00 
		peak 1324
assign ( resid  10 and name   HA ) ( resid  13 and name   HN ) 5.00 5.00 0.00 
		peak 1329
assign ( resid  31 and name   HA ) ( resid  34 and name  HD+ ) 4.42 4.42 0.00 
		peak 1333
assign ( resid  11 and name   HA ) ( resid  14 and name   HN ) 4.41 4.41 0.00 
		peak 1350
assign ( resid  29 and name   HA ) ( resid  32 and name   HN ) 4.50 4.50 0.00 
		peak 1367
assign ( resid  19 and name   HA ) ( resid  22 and name   HN ) 4.69 4.69 0.00 
		peak 1368
assign ( resid  26 and name   HN ) ( resid  26 and name  HB1 ) 3.87 3.87 0.00 
		peak 1380
assign ( resid  34 and name  HB2 ) ( resid  35 and name   HN ) 4.27 4.27 0.00 
		peak 1381
assign ( resid  19 and name  HD+ ) ( resid  20 and name HD2+ ) 3.78 3.78 0.00 
		peak 3
assign ( resid  19 and name   HA ) ( resid  19 and name  HD+ ) 3.65 3.65 0.00 
		peak 4
assign ( resid  19 and name  HD+ ) ( resid  20 and name   HG ) 3.88 3.88 0.00 
		peak 30
assign ( resid  19 and name   HN ) ( resid  19 and name  HD+ ) 4.40 4.40 0.00 
		peak 2
assign ( resid  24 and name   HN ) ( resid  24 and name  HD+ ) 4.42 4.42 0.00 
		peak 3
assign ( resid  63 and name   HA ) ( resid  64 and name   HN ) 2.86 2.86 0.00 
		peak 7
assign ( resid  43 and name  HB2 ) ( resid  44 and name   HN ) 4.15 4.15 0.00 
		peak 26
assign ( resid  47 and name   HN ) ( resid  47 and name  HG2 ) 5.23 5.23 0.00 
		peak 37
assign ( resid  47 and name   HN ) ( resid  47 and name  HG1 ) 5.23 5.23 0.00 
		peak 37
assign ( resid  32 and name   HN ) ( resid  32 and name HG11 ) 3.90 3.90 0.00 
		peak 40
assign ( resid  52 and name   HA ) ( resid  53 and name   HN ) 3.31 3.31 0.00 
		peak 43
assign ( resid  16 and name   HN ) ( resid  16 and name  HB2 ) 3.93 3.93 0.00 
		peak 54
assign ( resid  57 and name   HA ) ( resid  58 and name   HN ) 3.56 3.56 0.00 
		peak 65
assign ( resid  37 and name   HN ) ( resid  37 and name  HG2 ) 4.59 4.59 0.00 
		peak 70
assign ( resid  37 and name   HN ) ( resid  37 and name  HG1 ) 4.59 4.59 0.00 
		peak 70
assign ( resid  52 and name   HN ) ( resid  52 and name  HG2 ) 4.38 4.38 0.00 
		peak 84
assign ( resid  58 and name   HA ) ( resid  59 and name   HN ) 3.56 3.56 0.00 
		peak 86
assign ( resid  58 and name  HB2 ) ( resid  59 and name   HN ) 3.34 3.34 0.00 
		peak 87
assign ( resid  59 and name   HN ) ( resid  59 and name  HG1 ) 3.92 3.92 0.00 
		peak 88
assign ( resid  22 and name   HN ) ( resid  22 and name  HG2 ) 3.98 3.98 0.00 
		peak 93
assign ( resid  13 and name  HB2 ) ( resid  14 and name   HN ) 4.37 4.37 0.00 
		peak 108
assign ( resid  39 and name  HB1 ) ( resid  40 and name   HN ) 4.23 4.23 0.00 
		peak 111
assign ( resid   8 and name   HN ) ( resid   8 and name  HB2 ) 3.73 3.73 0.00 
		peak 117
assign ( resid   6 and name  HB1 ) ( resid   7 and name   HN ) 4.11 4.11 0.00 
		peak 128
assign ( resid  18 and name   HN ) ( resid  18 and name HG11 ) 3.93 3.93 0.00 
		peak 134
assign ( resid  22 and name  HB1 ) ( resid  23 and name   HN ) 4.14 4.14 0.00 
		peak 135
assign ( resid   3 and name   HB ) ( resid   4 and name   HN ) 3.99 3.99 0.00 
		peak 141
assign ( resid  42 and name  HB2 ) ( resid  43 and name   HN ) 4.10 4.10 0.00 
		peak 144
assign ( resid  23 and name  HB2 ) ( resid  24 and name   HN ) 4.24 4.24 0.00 
		peak 153
assign ( resid  27 and name   HN ) ( resid  27 and name HG2+ ) 4.04 4.04 0.00 
		peak 168
assign ( resid  49 and name   HN ) ( resid  49 and name  HG2 ) 4.95 4.95 0.00 
		peak 183
assign ( resid  17 and name   HN ) ( resid  17 and name   HG ) 4.87 4.87 0.00 
		peak 185
assign ( resid  45 and name   HN ) ( resid  46 and name   HB ) 5.50 5.50 0.00 
		peak 186
assign ( resid  57 and name   HN ) ( resid  57 and name HD2+ ) 4.52 4.52 0.00 
		peak 190
assign ( resid  44 and name   HN ) ( resid  44 and name   HG ) 4.34 4.34 0.00 
		peak 193
assign ( resid  50 and name   HB ) ( resid  51 and name   HN ) 4.11 4.11 0.00 
		peak 194
assign ( resid   6 and name   HA ) ( resid   9 and name   HN ) 4.59 4.59 0.00 
		peak 196
assign ( resid  44 and name   HA ) ( resid  47 and name   HN ) 4.16 4.16 0.00 
		peak 199
assign ( resid   2 and name  HB2 ) ( resid   5 and name   HN ) 4.93 4.93 0.00 
		peak 202
assign ( resid   2 and name  HB1 ) ( resid   5 and name   HN ) 4.93 4.93 0.00 
		peak 202
assign ( resid  16 and name   HN ) ( resid  17 and name  HB2 ) 5.50 5.50 0.00 
		peak 208
assign ( resid  16 and name   HN ) ( resid  17 and name  HB1 ) 5.50 5.50 0.00 
		peak 208
assign ( resid  16 and name   HN ) ( resid  19 and name  HB1 ) 5.43 5.43 0.00 
		peak 209
assign ( resid  35 and name   HA ) ( resid  37 and name   HN ) 4.22 4.22 0.00 
		peak 215
assign ( resid  13 and name   HA ) ( resid  17 and name   HN ) 5.07 5.07 0.00 
		peak 223
assign ( resid  37 and name   HA ) ( resid  40 and name   HN ) 4.16 4.16 0.00 
		peak 232
assign ( resid  59 and name  HG2 ) ( resid  60 and name   HN ) 5.50 5.50 0.00 
		peak 233
assign ( resid  59 and name  HG1 ) ( resid  60 and name   HN ) 5.50 5.50 0.00 
		peak 233
assign ( resid  49 and name   HN ) ( resid  49 and name  HD2 ) 5.50 5.50 0.00 
		peak 238
assign ( resid  49 and name   HN ) ( resid  49 and name  HD1 ) 5.50 5.50 0.00 
		peak 238
assign ( resid  48 and name  HB2 ) ( resid  49 and name   HN ) 4.71 4.71 0.00 
		peak 239
assign ( resid  43 and name   HA ) ( resid  46 and name   HN ) 4.33 4.33 0.00 
		peak 240
assign ( resid   2 and name  HB2 ) ( resid   4 and name   HN ) 4.81 4.81 0.00 
		peak 245
assign ( resid  54 and name   HA ) ( resid  56 and name   HN ) 4.30 4.30 0.00 
		peak 246
assign ( resid  30 and name   HA ) ( resid  33 and name   HN ) 4.20 4.20 0.00 
		peak 251
assign ( resid  32 and name HG11 ) ( resid  33 and name   HN ) 4.34 4.34 0.00 
		peak 253
assign ( resid   6 and name   HN ) ( resid   6 and name  HB2 ) 3.71 3.71 0.00 
		peak 268
assign ( resid  41 and name HD2+ ) ( resid  42 and name   HN ) 5.50 5.50 0.00 
		peak 269
assign ( resid  64 and name   HN ) ( resid  64 and name  HB2 ) 3.45 3.45 0.00 
		peak 274
assign ( resid  10 and name   HN ) ( resid  10 and name HG11 ) 4.42 4.42 0.00 
		peak 275
assign ( resid  45 and name   HN ) ( resid  46 and name   HA ) 5.50 5.50 0.00 
		peak 281
assign ( resid  33 and name   HN ) ( resid  34 and name  HD+ ) 5.34 5.34 0.00 
		peak 2
assign ( resid  34 and name   HA ) ( resid  34 and name  HD+ ) 4.00 4.00 0.00 
		peak 46
assign ( resid  16 and name   HA ) ( resid  19 and name  HD+ ) 4.59 4.59 0.00 
		peak 47
assign ( resid  20 and name   HA ) ( resid  24 and name  HE+ ) 4.21 4.21 0.00 
		peak 48
assign ( resid  20 and name   HA ) ( resid  24 and name  HD+ ) 3.96 3.96 0.00 
		peak 50
assign ( resid  20 and name   HG ) ( resid  34 and name  HE+ ) 5.22 5.22 0.00 
		peak 69
assign ( resid  20 and name HD1+ ) ( resid  34 and name  HD+ ) 3.90 3.90 0.00 
		peak 85
assign ( resid  20 and name HD1+ ) ( resid  24 and name  HE+ ) 4.23 4.23 0.00 
		peak 87
assign ( resid  20 and name HD1+ ) ( resid  34 and name  HE+ ) 4.38 4.38 0.00 
		peak 89
assign ( resid  28 and name  HD2 ) ( resid  30 and name   HN ) 4.30 4.30 0.00 
		peak 95
assign ( resid   2 and name  HB+ ) ( resid   3 and name   HN ) 3.97 3.97 0.00 
		peak 42
assign ( resid   2 and name  HB+ ) ( resid   3 and name   HA ) 5.32 5.32 0.00 
		peak 892
assign ( resid   2 and name  HB+ ) ( resid   4 and name   HN ) 4.22 4.22 0.00 
		peak 967
assign ( resid   2 and name  HB+ ) ( resid   5 and name   HN ) 4.31 4.31 0.00 
		peak 202
assign ( resid   2 and name  HB+ ) ( resid   5 and name  HB+ ) 4.20 4.20 0.00 
		peak 983
assign ( resid   4 and name   HN ) ( resid   5 and name  HB+ ) 5.32 5.32 0.00 
		peak 522
assign ( resid   4 and name HG2+ ) ( resid   5 and name  HB+ ) 4.05 4.05 0.00 
		peak 699
assign ( resid   5 and name   HN ) ( resid   5 and name  HB+ ) 3.26 3.26 0.00 
		peak 130
assign ( resid   5 and name   HN ) ( resid   5 and name  HG+ ) 3.53 3.53 0.00 
		peak 131
assign ( resid   5 and name  HB+ ) ( resid   6 and name   HN ) 3.81 3.81 0.00 
		peak 118
assign ( resid   5 and name  HG+ ) ( resid   6 and name   HN ) 4.82 4.82 0.00 
		peak 604
assign ( resid   6 and name   HN ) ( resid   6 and name HD++ ) 3.70 3.70 0.00 
		peak 121
assign ( resid   6 and name   HA ) ( resid   6 and name HD++ ) 3.71 3.71 0.00 
		peak 240
assign ( resid   6 and name   HA ) ( resid   9 and name  HB+ ) 3.97 3.97 0.00 
		peak 147
assign ( resid   6 and name   HA ) ( resid   9 and name  HG+ ) 4.61 4.61 0.00 
		peak 85
assign ( resid   6 and name   HA ) ( resid   9 and name  HD+ ) 4.62 4.62 0.00 
		peak 1324
assign ( resid   6 and name HD++ ) ( resid   9 and name   HN ) 5.44 5.44 0.00 
		peak 78
assign ( resid   6 and name HD++ ) ( resid   9 and name  HB+ ) 4.00 4.00 0.00 
		peak 734
assign ( resid   6 and name HD++ ) ( resid   9 and name  HD+ ) 4.85 4.85 0.00 
		peak 1323
assign ( resid   6 and name HD++ ) ( resid  44 and name   HA ) 4.61 4.61 0.00 
		peak 241
assign ( resid   6 and name HD++ ) ( resid  44 and name  HB2 ) 3.82 3.82 0.00 
		peak 1110
assign ( resid   6 and name HD++ ) ( resid  44 and name  HB1 ) 3.54 3.54 0.00 
		peak 367
assign ( resid   6 and name HD++ ) ( resid  45 and name   HA ) 4.36 4.36 0.00 
		peak 599
assign ( resid   7 and name   HN ) ( resid  45 and name HD++ ) 4.23 4.23 0.00 
		peak 383
assign ( resid   7 and name   HA ) ( resid  45 and name HD++ ) 3.66 3.66 0.00 
		peak 566
assign ( resid   7 and name  HB+ ) ( resid   7 and name HD2+ ) 3.20 3.20 0.00 
		peak 180
assign ( resid   7 and name  HB+ ) ( resid   8 and name   HN ) 3.45 3.45 0.00 
		peak 333
assign ( resid   7 and name  HB+ ) ( resid  10 and name HD1+ ) 4.59 4.59 0.00 
		peak 1067
assign ( resid   7 and name  HB+ ) ( resid  45 and name HD++ ) 3.75 3.75 0.00 
		peak 672
assign ( resid   7 and name HD2+ ) ( resid  45 and name HD++ ) 3.95 3.95 0.00 
		peak 555
assign ( resid   8 and name   HA ) ( resid  11 and name  HB+ ) 4.04 4.04 0.00 
		peak 272
assign ( resid   9 and name   HN ) ( resid   9 and name  HB+ ) 3.21 3.21 0.00 
		peak 75
assign ( resid   9 and name   HA ) ( resid   9 and name  HG+ ) 3.46 3.46 0.00 
		peak 243
assign ( resid   9 and name   HA ) ( resid   9 and name  HD+ ) 4.65 4.65 0.00 
		peak 555
assign ( resid   9 and name  HB+ ) ( resid  10 and name   HN ) 3.61 3.61 0.00 
		peak 98
assign ( resid   9 and name  HB+ ) ( resid  41 and name HD++ ) 4.09 4.09 0.00 
		peak 731
assign ( resid   9 and name  HD+ ) ( resid  41 and name HD++ ) 4.85 4.85 0.00 
		peak 1123
assign ( resid  10 and name   HN ) ( resid  10 and name HG1+ ) 3.84 3.84 0.00 
		peak 100
assign ( resid  10 and name   HN ) ( resid  41 and name HD++ ) 4.80 4.80 0.00 
		peak 100
assign ( resid  10 and name   HA ) ( resid  13 and name  HB+ ) 3.84 3.84 0.00 
		peak 517
assign ( resid  10 and name   HA ) ( resid  41 and name HD++ ) 4.46 4.46 0.00 
		peak 1122
assign ( resid  10 and name HG2+ ) ( resid  14 and name  HD+ ) 4.01 4.01 0.00 
		peak 611
assign ( resid  10 and name HG2+ ) ( resid  14 and name  HE+ ) 3.59 3.59 0.00 
		peak 453
assign ( resid  10 and name HG2+ ) ( resid  41 and name  HB+ ) 4.44 4.44 0.00 
		peak 1127
assign ( resid  10 and name HG1+ ) ( resid  41 and name  HB+ ) 4.41 4.41 0.00 
		peak 1126
assign ( resid  10 and name HG1+ ) ( resid  42 and name   HN ) 4.77 4.77 0.00 
		peak 696
assign ( resid  10 and name HD1+ ) ( resid  41 and name  HB+ ) 5.34 5.34 0.00 
		peak 1027
assign ( resid  11 and name   HN ) ( resid  11 and name  HB+ ) 3.57 3.57 0.00 
		peak 152
assign ( resid  11 and name   HN ) ( resid  11 and name  HG+ ) 4.41 4.41 0.00 
		peak 351
assign ( resid  11 and name   HA ) ( resid  14 and name  HD+ ) 3.96 3.96 0.00 
		peak 609
assign ( resid  11 and name  HB+ ) ( resid  12 and name   HN ) 3.48 3.48 0.00 
		peak 141
assign ( resid  11 and name  HB+ ) ( resid  12 and name  HB+ ) 4.51 4.51 0.00 
		peak 464
assign ( resid  11 and name  HG+ ) ( resid  12 and name   HN ) 4.61 4.61 0.00 
		peak 1290
assign ( resid  12 and name   HA ) ( resid  15 and name  HB+ ) 3.83 3.83 0.00 
		peak 809
assign ( resid  13 and name   HN ) ( resid  13 and name  HB+ ) 3.43 3.43 0.00 
		peak 152
assign ( resid  13 and name   HN ) ( resid  13 and name  HG+ ) 4.34 4.34 0.00 
		peak 153
assign ( resid  13 and name   HN ) ( resid  14 and name  HG+ ) 4.43 4.43 0.00 
		peak 155
assign ( resid  13 and name   HN ) ( resid  14 and name  HD+ ) 4.98 4.98 0.00 
		peak 156
assign ( resid  13 and name   HA ) ( resid  16 and name  HB+ ) 4.48 4.48 0.00 
		peak 1287
assign ( resid  13 and name  HB+ ) ( resid  14 and name   HN ) 3.74 3.74 0.00 
		peak 303
assign ( resid  13 and name  HB+ ) ( resid  38 and name HD++ ) 4.55 4.55 0.00 
		peak 925
assign ( resid  14 and name   HN ) ( resid  14 and name  HB+ ) 3.61 3.61 0.00 
		peak 305
assign ( resid  14 and name   HN ) ( resid  38 and name HD++ ) 4.62 4.62 0.00 
		peak 308
assign ( resid  14 and name   HA ) ( resid  38 and name HD++ ) 4.37 4.37 0.00 
		peak 537
assign ( resid  14 and name  HB+ ) ( resid  14 and name  HD+ ) 3.33 3.33 0.00 
		peak 353
assign ( resid  14 and name  HB+ ) ( resid  14 and name  HE+ ) 3.59 3.59 0.00 
		peak 895
assign ( resid  15 and name   HN ) ( resid  15 and name  HB+ ) 3.13 3.13 0.00 
		peak 391
assign ( resid  15 and name   HN ) ( resid  15 and name  HD+ ) 4.41 4.41 0.00 
		peak 394
assign ( resid  15 and name   HA ) ( resid  15 and name  HG+ ) 3.61 3.61 0.00 
		peak 222
assign ( resid  15 and name   HA ) ( resid  15 and name  HD+ ) 4.39 4.39 0.00 
		peak 221
assign ( resid  15 and name   HA ) ( resid  15 and name  HE+ ) 4.13 4.13 0.00 
		peak 384
assign ( resid  15 and name  HB+ ) ( resid  15 and name  HE+ ) 4.69 4.69 0.00 
		peak 1021
assign ( resid  15 and name  HB+ ) ( resid  16 and name   HN ) 3.68 3.68 0.00 
		peak 142
assign ( resid  15 and name  HG+ ) ( resid  15 and name  HE+ ) 2.84 2.84 0.00 
		peak 388
assign ( resid  15 and name  HG+ ) ( resid  16 and name   HN ) 4.41 4.41 0.00 
		peak 143
assign ( resid  16 and name   HN ) ( resid  16 and name  HB+ ) 3.30 3.30 0.00 
		peak 147
assign ( resid  16 and name   HN ) ( resid  16 and name  HG+ ) 4.44 4.44 0.00 
		peak 744
assign ( resid  16 and name  HB+ ) ( resid  17 and name   HN ) 4.27 4.27 0.00 
		peak 100
assign ( resid  16 and name  HG+ ) ( resid  17 and name   HN ) 3.93 3.93 0.00 
		peak 266
assign ( resid  16 and name  HG+ ) ( resid  20 and name HD1+ ) 4.49 4.49 0.00 
		peak 1268
assign ( resid  16 and name  HG+ ) ( resid  20 and name HD2+ ) 4.15 4.15 0.00 
		peak 497
assign ( resid  17 and name   HA ) ( resid  17 and name HD++ ) 3.36 3.36 0.00 
		peak 317
assign ( resid  17 and name   HA ) ( resid  20 and name  HB+ ) 4.21 4.21 0.00 
		peak 530
assign ( resid  17 and name   HA ) ( resid  21 and name HG++ ) 4.20 4.20 0.00 
		peak 781
assign ( resid  17 and name  HB1 ) ( resid  18 and name HG1+ ) 3.95 3.95 0.00 
		peak 1236
assign ( resid  17 and name  HB1 ) ( resid  21 and name HG++ ) 4.51 4.51 0.00 
		peak 683
assign ( resid  17 and name HD++ ) ( resid  20 and name   HN ) 4.65 4.65 0.00 
		peak 1203
assign ( resid  17 and name HD++ ) ( resid  20 and name HD1+ ) 3.69 3.69 0.00 
		peak 859
assign ( resid  17 and name HD++ ) ( resid  21 and name   HN ) 4.08 4.08 0.00 
		peak 257
assign ( resid  17 and name HD++ ) ( resid  34 and name   HN ) 4.17 4.17 0.00 
		peak 12
assign ( resid  17 and name HD++ ) ( resid  34 and name  HB+ ) 3.92 3.92 0.00 
		peak 858
assign ( resid  17 and name HD++ ) ( resid  34 and name  HD+ ) 3.50 3.50 0.00 
		peak 316
assign ( resid  17 and name HD++ ) ( resid  34 and name  HE+ ) 4.65 4.65 0.00 
		peak 91
assign ( resid  17 and name HD++ ) ( resid  35 and name   HN ) 4.14 4.14 0.00 
		peak 440
assign ( resid  17 and name HD++ ) ( resid  35 and name   HA ) 3.75 3.75 0.00 
		peak 797
assign ( resid  17 and name HD++ ) ( resid  35 and name  HB+ ) 4.01 4.01 0.00 
		peak 857
assign ( resid  18 and name   HN ) ( resid  18 and name HG1+ ) 3.38 3.38 0.00 
		peak 134
assign ( resid  18 and name   HN ) ( resid  21 and name HG++ ) 4.29 4.29 0.00 
		peak 1178
assign ( resid  18 and name   HA ) ( resid  18 and name HG1+ ) 3.47 3.47 0.00 
		peak 195
assign ( resid  18 and name HG2+ ) ( resid  18 and name HG1+ ) 3.23 3.23 0.00 
		peak 23
assign ( resid  18 and name HG2+ ) ( resid  22 and name  HG+ ) 3.66 3.66 0.00 
		peak 748
assign ( resid  19 and name   HA ) ( resid  22 and name  HB+ ) 3.95 3.95 0.00 
		peak 814
assign ( resid  19 and name   HA ) ( resid  22 and name  HG+ ) 4.34 4.34 0.00 
		peak 1276
assign ( resid  19 and name  HD+ ) ( resid  20 and name  HB+ ) 4.72 4.72 0.00 
		peak 31
assign ( resid  20 and name   HN ) ( resid  20 and name  HB+ ) 3.60 3.60 0.00 
		peak 195
assign ( resid  20 and name   HN ) ( resid  21 and name HG++ ) 4.22 4.22 0.00 
		peak 198
assign ( resid  20 and name  HB+ ) ( resid  21 and name   HN ) 3.60 3.60 0.00 
		peak 256
assign ( resid  20 and name  HB+ ) ( resid  21 and name HG++ ) 4.28 4.28 0.00 
		peak 1260
assign ( resid  20 and name  HB+ ) ( resid  31 and name HG++ ) 4.84 4.84 0.00 
		peak 1260
assign ( resid  20 and name HD1+ ) ( resid  31 and name HG++ ) 4.67 4.67 0.00 
		peak 686
assign ( resid  20 and name HD1+ ) ( resid  34 and name  HB+ ) 4.63 4.63 0.00 
		peak 949
assign ( resid  21 and name   HN ) ( resid  21 and name HG++ ) 3.18 3.18 0.00 
		peak 1112
assign ( resid  21 and name   HA ) ( resid  21 and name HG++ ) 3.01 3.01 0.00 
		peak 191
assign ( resid  21 and name   HA ) ( resid  31 and name HG++ ) 3.69 3.69 0.00 
		peak 1201
assign ( resid  21 and name HG++ ) ( resid  22 and name   HN ) 3.60 3.60 0.00 
		peak 244
assign ( resid  21 and name HG++ ) ( resid  22 and name   HA ) 4.12 4.12 0.00 
		peak 650
assign ( resid  21 and name HG++ ) ( resid  26 and name   HN ) 4.47 4.47 0.00 
		peak 653
assign ( resid  21 and name HG++ ) ( resid  26 and name   HA ) 3.91 3.91 0.00 
		peak 649
assign ( resid  21 and name HG++ ) ( resid  26 and name  HD+ ) 4.62 4.62 0.00 
		peak 88
assign ( resid  21 and name HG++ ) ( resid  31 and name HG++ ) 3.32 3.32 0.00 
		peak 4
assign ( resid  22 and name   HN ) ( resid  22 and name  HB+ ) 3.10 3.10 0.00 
		peak 243
assign ( resid  22 and name   HN ) ( resid  22 and name  HG+ ) 3.49 3.49 0.00 
		peak 93
assign ( resid  22 and name   HA ) ( resid  22 and name  HG+ ) 3.69 3.69 0.00 
		peak 488
assign ( resid  22 and name  HB+ ) ( resid  23 and name   HN ) 3.60 3.60 0.00 
		peak 135
assign ( resid  23 and name   HN ) ( resid  23 and name  HB+ ) 3.22 3.22 0.00 
		peak 410
assign ( resid  23 and name   HA ) ( resid  23 and name  HG+ ) 3.61 3.61 0.00 
		peak 776
assign ( resid  23 and name   HA ) ( resid  23 and name  HD+ ) 4.16 4.16 0.00 
		peak 201
assign ( resid  23 and name   HA ) ( resid  23 and name  HE+ ) 5.34 5.34 0.00 
		peak 892
assign ( resid  23 and name  HB+ ) ( resid  24 and name   HN ) 3.64 3.64 0.00 
		peak 450
assign ( resid  23 and name  HG+ ) ( resid  23 and name  HE+ ) 3.26 3.26 0.00 
		peak 617
assign ( resid  23 and name  HG+ ) ( resid  24 and name   HN ) 4.87 4.87 0.00 
		peak 250
assign ( resid  24 and name   HN ) ( resid  25 and name  HA+ ) 4.94 4.94 0.00 
		peak 249
assign ( resid  24 and name   HN ) ( resid  31 and name HG++ ) 5.17 5.17 0.00 
		peak 250
assign ( resid  24 and name  HB2 ) ( resid  31 and name HG++ ) 4.06 4.06 0.00 
		peak 48
assign ( resid  24 and name  HB1 ) ( resid  31 and name HG++ ) 4.42 4.42 0.00 
		peak 52
assign ( resid  24 and name  HD+ ) ( resid  31 and name HG++ ) 3.98 3.98 0.00 
		peak 80
assign ( resid  25 and name   HN ) ( resid  31 and name HG++ ) 3.91 3.91 0.00 
		peak 488
assign ( resid  25 and name  HA+ ) ( resid  26 and name   HA ) 4.39 4.39 0.00 
		peak 565
assign ( resid  26 and name   HN ) ( resid  26 and name  HB+ ) 3.28 3.28 0.00 
		peak 438
assign ( resid  26 and name   HA ) ( resid  31 and name HG++ ) 3.77 3.77 0.00 
		peak 267
assign ( resid  26 and name  HB+ ) ( resid  27 and name   HN ) 4.16 4.16 0.00 
		peak 496
assign ( resid  28 and name   HN ) ( resid  31 and name HG++ ) 4.43 4.43 0.00 
		peak 38
assign ( resid  28 and name  HD2 ) ( resid  30 and name  HB+ ) 4.37 4.37 0.00 
		peak 96
assign ( resid  28 and name  HD2 ) ( resid  30 and name  HG+ ) 3.57 3.57 0.00 
		peak 33
assign ( resid  29 and name   HN ) ( resid  29 and name  HB+ ) 3.56 3.56 0.00 
		peak 3
assign ( resid  29 and name  HB+ ) ( resid  30 and name   HN ) 4.33 4.33 0.00 
		peak 187
assign ( resid  30 and name   HA ) ( resid  30 and name  HD+ ) 4.07 4.07 0.00 
		peak 692
assign ( resid  30 and name  HB+ ) ( resid  31 and name   HN ) 3.97 3.97 0.00 
		peak 291
assign ( resid  31 and name   HN ) ( resid  31 and name HG++ ) 3.28 3.28 0.00 
		peak 292
assign ( resid  31 and name HG++ ) ( resid  32 and name   HN ) 4.11 4.11 0.00 
		peak 92
assign ( resid  31 and name HG++ ) ( resid  34 and name  HD+ ) 4.62 4.62 0.00 
		peak 918
assign ( resid  31 and name HG++ ) ( resid  34 and name  HE+ ) 4.28 4.28 0.00 
		peak 90
assign ( resid  32 and name   HA ) ( resid  35 and name  HB+ ) 4.13 4.13 0.00 
		peak 522
assign ( resid  32 and name HG2+ ) ( resid  36 and name  HG+ ) 3.91 3.91 0.00 
		peak 451
assign ( resid  32 and name HG2+ ) ( resid  36 and name HE2+ ) 3.47 3.47 0.00 
		peak 478
assign ( resid  33 and name   HN ) ( resid  33 and name  HB+ ) 3.23 3.23 0.00 
		peak 458
assign ( resid  33 and name  HB+ ) ( resid  34 and name   HN ) 3.87 3.87 0.00 
		peak 13
assign ( resid  34 and name   HN ) ( resid  34 and name  HB+ ) 3.33 3.33 0.00 
		peak 15
assign ( resid  35 and name   HA ) ( resid  38 and name  HB+ ) 3.96 3.96 0.00 
		peak 796
assign ( resid  35 and name   HA ) ( resid  38 and name HD++ ) 5.32 5.32 0.00 
		peak 1132
assign ( resid  35 and name  HB+ ) ( resid  36 and name   HN ) 4.01 4.01 0.00 
		peak 171
assign ( resid  36 and name   HN ) ( resid  36 and name  HG+ ) 3.51 3.51 0.00 
		peak 531
assign ( resid  36 and name   HA ) ( resid  36 and name  HG+ ) 3.39 3.39 0.00 
		peak 503
assign ( resid  36 and name   HA ) ( resid  39 and name  HB+ ) 3.53 3.53 0.00 
		peak 509
assign ( resid  36 and name  HB+ ) ( resid  37 and name   HN ) 3.56 3.56 0.00 
		peak 770
assign ( resid  36 and name  HB+ ) ( resid  38 and name   HN ) 5.18 5.18 0.00 
		peak 513
assign ( resid  36 and name  HG+ ) ( resid  36 and name HE2+ ) 3.16 3.16 0.00 
		peak 162
assign ( resid  37 and name   HN ) ( resid  37 and name  HB+ ) 3.35 3.35 0.00 
		peak 187
assign ( resid  37 and name   HN ) ( resid  37 and name  HG+ ) 3.96 3.96 0.00 
		peak 70
assign ( resid  37 and name   HA ) ( resid  37 and name  HG+ ) 3.67 3.67 0.00 
		peak 496
assign ( resid  38 and name   HN ) ( resid  38 and name  HB+ ) 3.32 3.32 0.00 
		peak 508
assign ( resid  38 and name   HA ) ( resid  38 and name HD++ ) 4.22 4.22 0.00 
		peak 866
assign ( resid  38 and name   HA ) ( resid  41 and name HD++ ) 3.97 3.97 0.00 
		peak 534
assign ( resid  38 and name  HB+ ) ( resid  39 and name   HN ) 3.63 3.63 0.00 
		peak 348
assign ( resid  38 and name HD++ ) ( resid  39 and name   HN ) 4.10 4.10 0.00 
		peak 349
assign ( resid  38 and name HD++ ) ( resid  41 and name   HN ) 4.96 4.96 0.00 
		peak 691
assign ( resid  38 and name HD++ ) ( resid  42 and name   HN ) 4.25 4.25 0.00 
		peak 695
assign ( resid  39 and name   HA ) ( resid  42 and name HD++ ) 3.52 3.52 0.00 
		peak 277
assign ( resid  39 and name  HB+ ) ( resid  40 and name   HN ) 3.68 3.68 0.00 
		peak 111
assign ( resid  39 and name  HB+ ) ( resid  40 and name   HA ) 4.94 4.94 0.00 
		peak 545
assign ( resid  40 and name   HN ) ( resid  40 and name  HG+ ) 4.45 4.45 0.00 
		peak 315
assign ( resid  40 and name   HA ) ( resid  43 and name  HB+ ) 4.15 4.15 0.00 
		peak 1308
assign ( resid  40 and name  HB+ ) ( resid  40 and name  HD+ ) 3.31 3.31 0.00 
		peak 931
assign ( resid  40 and name  HB+ ) ( resid  42 and name   HN ) 5.34 5.34 0.00 
		peak 281
assign ( resid  41 and name   HN ) ( resid  41 and name  HB+ ) 3.60 3.60 0.00 
		peak 234
assign ( resid  41 and name   HN ) ( resid  41 and name HD++ ) 3.74 3.74 0.00 
		peak 237
assign ( resid  41 and name   HA ) ( resid  41 and name HD++ ) 3.20 3.20 0.00 
		peak 995
assign ( resid  41 and name  HB+ ) ( resid  42 and name   HN ) 3.70 3.70 0.00 
		peak 280
assign ( resid  41 and name  HB+ ) ( resid  42 and name   HA ) 4.77 4.77 0.00 
		peak 210
assign ( resid  41 and name  HB+ ) ( resid  44 and name HD1+ ) 5.16 5.16 0.00 
		peak 1127
assign ( resid  41 and name HD++ ) ( resid  42 and name   HN ) 4.77 4.77 0.00 
		peak 269
assign ( resid  42 and name   HN ) ( resid  42 and name  HB+ ) 3.53 3.53 0.00 
		peak 286
assign ( resid  42 and name   HN ) ( resid  42 and name HD++ ) 4.26 4.26 0.00 
		peak 558
assign ( resid  42 and name   HN ) ( resid  45 and name HD++ ) 5.44 5.44 0.00 
		peak 269
assign ( resid  42 and name   HA ) ( resid  45 and name HD++ ) 3.22 3.22 0.00 
		peak 212
assign ( resid  42 and name  HB+ ) ( resid  43 and name   HN ) 3.57 3.57 0.00 
		peak 144
assign ( resid  42 and name  HB+ ) ( resid  45 and name HD++ ) 4.30 4.30 0.00 
		peak 321
assign ( resid  42 and name HD++ ) ( resid  43 and name   HN ) 4.00 4.00 0.00 
		peak 525
assign ( resid  42 and name HD++ ) ( resid  43 and name HD2+ ) 4.68 4.68 0.00 
		peak 775
assign ( resid  43 and name   HN ) ( resid  43 and name HD2+ ) 4.17 4.17 0.00 
		peak 607
assign ( resid  43 and name   HA ) ( resid  43 and name HD2+ ) 3.78 3.78 0.00 
		peak 583
assign ( resid  43 and name  HB+ ) ( resid  43 and name HD2+ ) 3.16 3.16 0.00 
		peak 160
assign ( resid  43 and name  HB+ ) ( resid  44 and name   HN ) 3.64 3.64 0.00 
		peak 51
assign ( resid  43 and name  HB+ ) ( resid  45 and name   HN ) 5.34 5.34 0.00 
		peak 186
assign ( resid  43 and name  HB+ ) ( resid  46 and name HD1+ ) 4.34 4.34 0.00 
		peak 945
assign ( resid  43 and name HD2+ ) ( resid  46 and name HG2+ ) 5.21 5.21 0.00 
		peak 775
assign ( resid  43 and name HD2+ ) ( resid  46 and name HD1+ ) 4.43 4.43 0.00 
		peak 776
assign ( resid  44 and name   HA ) ( resid  47 and name  HB+ ) 3.78 3.78 0.00 
		peak 252
assign ( resid  45 and name   HN ) ( resid  45 and name HD++ ) 3.76 3.76 0.00 
		peak 250
assign ( resid  45 and name   HA ) ( resid  45 and name HD++ ) 3.38 3.38 0.00 
		peak 212
assign ( resid  45 and name  HB+ ) ( resid  46 and name   HN ) 4.10 4.10 0.00 
		peak 241
assign ( resid  46 and name   HN ) ( resid  46 and name HG1+ ) 3.56 3.56 0.00 
		peak 373
assign ( resid  46 and name HG2+ ) ( resid  46 and name HG1+ ) 3.26 3.26 0.00 
		peak 1361
assign ( resid  46 and name HG2+ ) ( resid  47 and name  HB+ ) 4.57 4.57 0.00 
		peak 495
assign ( resid  47 and name   HN ) ( resid  47 and name  HB+ ) 3.17 3.17 0.00 
		peak 83
assign ( resid  47 and name   HN ) ( resid  47 and name  HG+ ) 4.46 4.46 0.00 
		peak 37
assign ( resid  47 and name  HB+ ) ( resid  48 and name   HN ) 3.87 3.87 0.00 
		peak 297
assign ( resid  48 and name   HN ) ( resid  48 and name  HB+ ) 3.25 3.25 0.00 
		peak 298
assign ( resid  48 and name   HN ) ( resid  48 and name HD++ ) 4.19 4.19 0.00 
		peak 863
assign ( resid  48 and name   HA ) ( resid  48 and name HD++ ) 2.88 2.88 0.00 
		peak 19
assign ( resid  48 and name  HB+ ) ( resid  49 and name   HN ) 3.96 3.96 0.00 
		peak 584
assign ( resid  48 and name HD++ ) ( resid  49 and name   HN ) 4.80 4.80 0.00 
		peak 362
assign ( resid  48 and name HD++ ) ( resid  51 and name  HB+ ) 4.16 4.16 0.00 
		peak 725
assign ( resid  48 and name HD++ ) ( resid  51 and name  HG+ ) 4.33 4.33 0.00 
		peak 1186
assign ( resid  48 and name HD++ ) ( resid  51 and name  HD+ ) 4.10 4.10 0.00 
		peak 1187
assign ( resid  49 and name   HN ) ( resid  49 and name  HB+ ) 3.58 3.58 0.00 
		peak 366
assign ( resid  49 and name   HN ) ( resid  49 and name  HG+ ) 4.18 4.18 0.00 
		peak 361
assign ( resid  49 and name  HB+ ) ( resid  50 and name   HN ) 3.91 3.91 0.00 
		peak 465
assign ( resid  49 and name  HB+ ) ( resid  50 and name   HA ) 4.17 4.17 0.00 
		peak 798
assign ( resid  51 and name   HN ) ( resid  51 and name  HB+ ) 3.18 3.18 0.00 
		peak 57
assign ( resid  51 and name   HN ) ( resid  51 and name  HG+ ) 4.01 4.01 0.00 
		peak 64
assign ( resid  51 and name   HN ) ( resid  51 and name  HD+ ) 4.78 4.78 0.00 
		peak 58
assign ( resid  51 and name   HN ) ( resid  53 and name  HG+ ) 4.89 4.89 0.00 
		peak 59
assign ( resid  51 and name   HA ) ( resid  53 and name  HG+ ) 4.21 4.21 0.00 
		peak 69
assign ( resid  51 and name  HB+ ) ( resid  52 and name   HN ) 3.39 3.39 0.00 
		peak 83
assign ( resid  51 and name  HB+ ) ( resid  53 and name   HN ) 3.61 3.61 0.00 
		peak 44
assign ( resid  51 and name  HB+ ) ( resid  53 and name  HG+ ) 3.12 3.12 0.00 
		peak 126
assign ( resid  51 and name  HB+ ) ( resid  54 and name   HN ) 4.83 4.83 0.00 
		peak 59
assign ( resid  52 and name   HN ) ( resid  53 and name  HG+ ) 4.55 4.55 0.00 
		peak 1222
assign ( resid  52 and name   HA ) ( resid  57 and name HD++ ) 3.31 3.31 0.00 
		peak 38
assign ( resid  52 and name  HB2 ) ( resid  52 and name  HE+ ) 4.67 4.67 0.00 
		peak 1235
assign ( resid  52 and name  HB2 ) ( resid  57 and name HD++ ) 3.53 3.53 0.00 
		peak 40
assign ( resid  52 and name  HB1 ) ( resid  57 and name HD++ ) 4.02 4.02 0.00 
		peak 40
assign ( resid  52 and name  HG2 ) ( resid  57 and name HD++ ) 5.44 5.44 0.00 
		peak 1213
assign ( resid  52 and name  HG1 ) ( resid  57 and name HD++ ) 5.44 5.44 0.00 
		peak 1213
assign ( resid  52 and name  HD+ ) ( resid  57 and name HD++ ) 3.80 3.80 0.00 
		peak 1227
assign ( resid  53 and name   HN ) ( resid  53 and name  HG+ ) 3.82 3.82 0.00 
		peak 106
assign ( resid  53 and name   HN ) ( resid  53 and name  HD+ ) 4.64 4.64 0.00 
		peak 112
assign ( resid  53 and name  HB2 ) ( resid  53 and name  HE+ ) 4.38 4.38 0.00 
		peak 722
assign ( resid  53 and name  HG+ ) ( resid  53 and name  HD+ ) 2.36 2.36 0.00 
		peak 72
assign ( resid  53 and name  HG+ ) ( resid  54 and name   HN ) 4.28 4.28 0.00 
		peak 161
assign ( resid  53 and name  HE+ ) ( resid  54 and name   HA ) 5.34 5.34 0.00 
		peak 802
assign ( resid  54 and name   HN ) ( resid  54 and name  HB+ ) 3.05 3.05 0.00 
		peak 163
assign ( resid  54 and name   HN ) ( resid  54 and name  HG+ ) 3.64 3.64 0.00 
		peak 164
assign ( resid  54 and name   HA ) ( resid  54 and name  HG+ ) 3.69 3.69 0.00 
		peak 704
assign ( resid  54 and name   HA ) ( resid  54 and name  HD+ ) 4.53 4.53 0.00 
		peak 512
assign ( resid  54 and name  HB+ ) ( resid  54 and name  HD+ ) 3.33 3.33 0.00 
		peak 106
assign ( resid  54 and name  HB+ ) ( resid  55 and name   HN ) 3.58 3.58 0.00 
		peak 210
assign ( resid  55 and name   HN ) ( resid  55 and name  HB+ ) 3.19 3.19 0.00 
		peak 209
assign ( resid  55 and name   HA ) ( resid  58 and name HD++ ) 4.17 4.17 0.00 
		peak 824
assign ( resid  55 and name  HB+ ) ( resid  56 and name   HN ) 4.31 4.31 0.00 
		peak 588
assign ( resid  55 and name  HD+ ) ( resid  58 and name HD++ ) 4.39 4.39 0.00 
		peak 81
assign ( resid  56 and name   HN ) ( resid  56 and name  HB+ ) 3.51 3.51 0.00 
		peak 430
assign ( resid  56 and name  HB+ ) ( resid  57 and name   HN ) 4.12 4.12 0.00 
		peak 27
assign ( resid  57 and name   HN ) ( resid  57 and name  HB+ ) 2.99 2.99 0.00 
		peak 28
assign ( resid  57 and name   HN ) ( resid  57 and name HD++ ) 3.89 3.89 0.00 
		peak 655
assign ( resid  57 and name   HN ) ( resid  58 and name HD++ ) 5.00 5.00 0.00 
		peak 190
assign ( resid  57 and name   HA ) ( resid  57 and name HD++ ) 3.00 3.00 0.00 
		peak 13
assign ( resid  57 and name  HB+ ) ( resid  58 and name   HN ) 3.73 3.73 0.00 
		peak 571
assign ( resid  57 and name HD++ ) ( resid  58 and name   HN ) 4.92 4.92 0.00 
		peak 68
assign ( resid  58 and name   HN ) ( resid  59 and name  HG+ ) 4.33 4.33 0.00 
		peak 492
assign ( resid  58 and name   HA ) ( resid  58 and name HD++ ) 3.06 3.06 0.00 
		peak 664
assign ( resid  58 and name  HB2 ) ( resid  59 and name  HG+ ) 4.13 4.13 0.00 
		peak 880
assign ( resid  58 and name HD++ ) ( resid  59 and name   HN ) 4.21 4.21 0.00 
		peak 658
assign ( resid  58 and name HD++ ) ( resid  59 and name  HG+ ) 4.30 4.30 0.00 
		peak 740
assign ( resid  59 and name   HN ) ( resid  59 and name  HB+ ) 3.13 3.13 0.00 
		peak 89
assign ( resid  59 and name   HN ) ( resid  59 and name  HG+ ) 3.32 3.32 0.00 
		peak 88
assign ( resid  61 and name   HN ) ( resid  61 and name  HB+ ) 3.69 3.69 0.00 
		peak 314
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          3HT       MET   1   9.412  -4.715   2.934
    2    H2   MET   1          2HT       MET   1   9.416  -6.338   3.389
    3    H3   MET   1          1HT       MET   1   9.846  -5.173   4.498
    4    HA   MET   1           HA       MET   1  11.779  -4.561   3.278
    5   1HB   MET   1          2HB       MET   1  13.120  -6.567   3.641
    6   2HB   MET   1          1HB       MET   1  12.029  -6.289   4.990
    7   1HG   MET   1          2HG       MET   1  10.542  -8.009   4.175
    8   2HG   MET   1          1HG       MET   1  11.560  -8.263   2.760
    9   1HE   MET   1          3HE       MET   1  13.995  -9.233   2.854
   10   2HE   MET   1          2HE       MET   1  14.500  -8.060   4.074
   11   3HE   MET   1          1HE       MET   1  14.801  -9.770   4.328
   12    QB   MET   1           QB       MET   1  12.575  -6.428   4.315
   13    QG   MET   1           QG       MET   1  11.051  -8.136   3.467
   14    ME   MET   1           QE       MET   1  14.432  -9.021   3.752
   15    H    ASN   2           H        ASN   2   9.544  -6.355   1.398
   16    HA   ASN   2           HA       ASN   2  11.466  -6.282  -0.774
   17   1HB   ASN   2          2HB       ASN   2  11.149  -8.593  -0.137
   18   2HB   ASN   2          1HB       ASN   2   9.397  -8.403  -0.186
   19   1HD2  ASN   2          1HD2      ASN   2  12.303  -8.699  -2.047
   20   2HD2  ASN   2          2HD2      ASN   2  11.524  -9.025  -3.548
   21    QB   ASN   2           QB       ASN   2  10.273  -8.498  -0.162
   22    QD   ASN   2           QD2      ASN   2  11.914  -8.862  -2.798
   23    H    VAL   3           H        VAL   3  10.758  -5.298  -2.574
   24    HA   VAL   3           HA       VAL   3   8.435  -3.719  -2.324
   25    HB   VAL   3           HB       VAL   3   8.940  -2.802  -4.540
   26   1HG1  VAL   3          1HG1      VAL   3  11.324  -3.010  -2.706
   27   2HG1  VAL   3          3HG1      VAL   3  11.113  -1.796  -3.969
   28   3HG1  VAL   3          2HG1      VAL   3  10.012  -1.837  -2.591
   29   1HG2  VAL   3          1HG2      VAL   3   9.802  -4.799  -5.629
   30   2HG2  VAL   3          3HG2      VAL   3  10.972  -3.486  -5.741
   31   3HG2  VAL   3          2HG2      VAL   3  11.214  -4.791  -4.578
   32    MG1  VAL   3           QG1      VAL   3  10.816  -2.214  -3.089
   33    MG2  VAL   3           QG2      VAL   3  10.663  -4.358  -5.316
   34    QG   VAL   3           QQG      VAL   3  10.740  -3.286  -4.203
   35    H    THR   4           H        THR   4   8.935  -6.773  -4.031
   36    HA   THR   4           HA       THR   4   6.547  -6.271  -5.550
   37    HB   THR   4           HB       THR   4   8.476  -7.798  -6.417
   38    HG1  THR   4          1HG       THR   4   5.774  -8.751  -6.566
   39   1HG2  THR   4          2HG2      THR   4   6.973  -9.819  -4.744
   40   2HG2  THR   4          1HG2      THR   4   8.224 -10.195  -5.933
   41   3HG2  THR   4          3HG2      THR   4   8.632  -9.289  -4.471
   42    MG   THR   4           QG2      THR   4   7.943  -9.767  -5.050
   43    H    LYS   5           H        LYS   5   7.374  -7.759  -2.562
   44    HA   LYS   5           HA       LYS   5   4.856  -8.989  -2.063
   45   1HB   LYS   5          2HB       LYS   5   6.892  -7.881  -0.113
   46   2HB   LYS   5          1HB       LYS   5   5.503  -8.855   0.331
   47   1HG   LYS   5          2HG       LYS   5   7.789  -9.773  -1.404
   48   2HG   LYS   5          1HG       LYS   5   7.596 -10.119   0.313
   49   1HD   LYS   5          2HD       LYS   5   5.458 -11.265  -0.207
   50   2HD   LYS   5          1HD       LYS   5   5.770 -10.994  -1.924
   51   1HE   LYS   5          2HE       LYS   5   6.448 -13.242  -1.306
   52   2HE   LYS   5          1HE       LYS   5   7.861 -12.284  -1.729
   53   1HZ   LYS   5          1HZ       LYS   5   6.948 -12.871   1.040
   54   2HZ   LYS   5          3HZ       LYS   5   8.250 -13.600   0.283
   55   3HZ   LYS   5          2HZ       LYS   5   8.302 -11.973   0.657
   56    QB   LYS   5           QB       LYS   5   6.198  -8.368   0.109
   57    QD   LYS   5           QD       LYS   5   5.614 -11.129  -1.066
   58    QG   LYS   5           QG       LYS   5   7.693  -9.946  -0.546
   59    QE   LYS   5           QE       LYS   5   7.155 -12.763  -1.518
   60    QZ   LYS   5           QZ       LYS   5   7.833 -12.814   0.660
   61    H    LEU   6           H        LEU   6   6.248  -5.824  -1.433
   62    HA   LEU   6           HA       LEU   6   4.114  -4.645  -0.073
   63   1HB   LEU   6          2HB       LEU   6   6.389  -3.648  -0.329
   64   2HB   LEU   6          1HB       LEU   6   6.028  -3.369  -2.020
   65    HG   LEU   6           HG       LEU   6   4.322  -1.713  -1.420
   66   1HD1  LEU   6          3HD1      LEU   6   5.104  -2.325   1.418
   67   2HD1  LEU   6          2HD1      LEU   6   4.050  -1.007   0.902
   68   3HD1  LEU   6          1HD1      LEU   6   3.551  -2.684   0.665
   69   1HD2  LEU   6          1HD2      LEU   6   6.634  -0.981  -1.709
   70   2HD2  LEU   6          3HD2      LEU   6   5.801  -0.018  -0.493
   71   3HD2  LEU   6          2HD2      LEU   6   6.943  -1.266   0.005
   72    MD1  LEU   6           QD1      LEU   6   4.235  -2.005   0.995
   73    MD2  LEU   6           QD2      LEU   6   6.459  -0.755  -0.733
   74    QB   LEU   6           QB       LEU   6   6.209  -3.508  -1.175
   75    QD   LEU   6           QQD      LEU   6   5.347  -1.380   0.131
   76    H    ASN   7           H        ASN   7   4.902  -4.653  -3.527
   77    HA   ASN   7           HA       ASN   7   2.708  -3.320  -4.559
   78   1HB   ASN   7          2HB       ASN   7   4.647  -3.938  -5.931
   79   2HB   ASN   7          1HB       ASN   7   4.220  -5.638  -5.797
   80   1HD2  ASN   7          1HD2      ASN   7   3.522  -2.635  -7.343
   81   2HD2  ASN   7          2HD2      ASN   7   2.418  -3.246  -8.514
   82    QB   ASN   7           QB       ASN   7   4.434  -4.788  -5.864
   83    QD   ASN   7           QD2      ASN   7   2.970  -2.940  -7.929
   84    H    ASP   8           H        ASP   8   3.059  -6.702  -3.705
   85    HA   ASP   8           HA       ASP   8   0.610  -7.673  -4.714
   86   1HB   ASP   8          2HB       ASP   8   2.401  -9.210  -4.198
   87   2HB   ASP   8          1HB       ASP   8   2.391  -8.699  -2.514
   88    QB   ASP   8           QB       ASP   8   2.396  -8.954  -3.356
   89    H    ARG   9           H        ARG   9   1.557  -6.647  -1.447
   90    HA   ARG   9           HA       ARG   9  -0.954  -7.059  -0.304
   91   1HB   ARG   9          2HB       ARG   9   1.467  -5.505   0.457
   92   2HB   ARG   9          1HB       ARG   9  -0.017  -5.238   1.351
   93   1HG   ARG   9          2HG       ARG   9   1.462  -6.874   2.439
   94   2HG   ARG   9          1HG       ARG   9  -0.112  -7.529   2.001
   95   1HD   ARG   9          2HD       ARG   9   0.851  -8.710   0.128
   96   2HD   ARG   9          1HD       ARG   9   2.418  -7.949   0.408
   97    HE   ARG   9           HE       ARG   9   2.149  -9.099   2.694
   98   1HH1  ARG   9          1HH1      ARG   9   1.186 -10.584  -0.441
   99   2HH1  ARG   9          2HH1      ARG   9   1.494 -12.148   0.096
  100   1HH2  ARG   9          1HH2      ARG   9   2.580 -11.299   3.352
  101   2HH2  ARG   9          2HH2      ARG   9   2.253 -12.588   2.298
  102    QB   ARG   9           QB       ARG   9   0.725  -5.371   0.904
  103    QG   ARG   9           QG       ARG   9   0.675  -7.201   2.220
  104    QD   ARG   9           QD       ARG   9   1.635  -8.329   0.268
  105    QH1  ARG   9           QH1      ARG   9   1.340 -11.366  -0.173
  106    QH2  ARG   9           QH2      ARG   9   2.417 -11.943   2.825
  107    H    ILE  10           H        ILE  10   0.303  -4.409  -2.147
  108    HA   ILE  10           HA       ILE  10  -1.832  -2.590  -1.613
  109    HB   ILE  10           HB       ILE  10  -0.077  -2.789  -4.094
  110   1HG1  ILE  10          2HG1      ILE  10   0.210  -1.040  -1.674
  111   2HG1  ILE  10          1HG1      ILE  10   1.165  -2.492  -1.959
  112   1HG2  ILE  10          3HG2      ILE  10  -2.156  -1.473  -4.385
  113   2HG2  ILE  10          2HG2      ILE  10  -1.667  -0.448  -3.038
  114   3HG2  ILE  10          1HG2      ILE  10  -0.704  -0.468  -4.511
  115   1HD1  ILE  10          1HD1      ILE  10   2.092  -1.447  -3.979
  116   2HD1  ILE  10          3HD1      ILE  10   1.150   0.002  -3.641
  117   3HD1  ILE  10          2HD1      ILE  10   2.420  -0.501  -2.527
  118    MG   ILE  10           QG2      ILE  10  -1.509  -0.796  -3.978
  119    MD   ILE  10           QD1      ILE  10   1.887  -0.648  -3.383
  120    QG   ILE  10           QG1      ILE  10   0.688  -1.766  -1.817
  121    H    GLU  11           H        GLU  11  -1.151  -4.970  -4.094
  122    HA   GLU  11           HA       GLU  11  -3.339  -4.638  -5.783
  123   1HB   GLU  11          2HB       GLU  11  -1.288  -5.938  -6.266
  124   2HB   GLU  11          1HB       GLU  11  -1.813  -7.145  -5.115
  125   1HG   GLU  11          2HG       GLU  11  -3.717  -7.685  -6.498
  126   2HG   GLU  11          1HG       GLU  11  -3.257  -6.425  -7.647
  127    QB   GLU  11           QB       GLU  11  -1.550  -6.541  -5.691
  128    QG   GLU  11           QG       GLU  11  -3.487  -7.055  -7.073
  129    H    ALA  12           H        ALA  12  -2.888  -6.817  -3.061
  130    HA   ALA  12           HA       ALA  12  -5.430  -8.000  -3.124
  131   1HB   ALA  12          2HB       ALA  12  -3.514  -8.952  -1.937
  132   2HB   ALA  12          3HB       ALA  12  -4.923  -8.787  -0.884
  133   3HB   ALA  12          1HB       ALA  12  -3.591  -7.636  -0.768
  134    MB   ALA  12           QB       ALA  12  -4.009  -8.458  -1.197
  135    H    LYS  13           H        LYS  13  -4.269  -5.028  -1.723
  136    HA   LYS  13           HA       LYS  13  -6.566  -4.738  -0.023
  137   1HB   LYS  13          2HB       LYS  13  -4.380  -3.821   0.666
  138   2HB   LYS  13          1HB       LYS  13  -4.386  -2.735  -0.698
  139   1HG   LYS  13          2HG       LYS  13  -4.954  -1.574   1.383
  140   2HG   LYS  13          1HG       LYS  13  -6.299  -1.528   0.248
  141   1HD   LYS  13          2HD       LYS  13  -7.068  -1.953   2.536
  142   2HD   LYS  13          1HD       LYS  13  -7.418  -3.316   1.480
  143   1HE   LYS  13          2HE       LYS  13  -6.624  -4.074   3.650
  144   2HE   LYS  13          1HE       LYS  13  -5.484  -4.520   2.394
  145   1HZ   LYS  13          1HZ       LYS  13  -5.168  -2.177   4.229
  146   2HZ   LYS  13          3HZ       LYS  13  -4.450  -3.674   4.427
  147   3HZ   LYS  13          2HZ       LYS  13  -4.018  -2.738   3.115
  148    QB   LYS  13           QB       LYS  13  -4.383  -3.278  -0.016
  149    QD   LYS  13           QD       LYS  13  -7.243  -2.634   2.008
  150    QG   LYS  13           QG       LYS  13  -5.626  -1.551   0.815
  151    QE   LYS  13           QE       LYS  13  -6.054  -4.297   3.022
  152    QZ   LYS  13           QZ       LYS  13  -4.545  -2.863   3.923
  153    H    LYS  14           H        LYS  14  -5.450  -3.410  -3.102
  154    HA   LYS  14           HA       LYS  14  -7.534  -1.774  -3.811
  155   1HB   LYS  14          2HB       LYS  14  -6.075  -3.819  -5.490
  156   2HB   LYS  14          1HB       LYS  14  -7.182  -2.638  -6.163
  157   1HG   LYS  14          2HG       LYS  14  -5.733  -0.838  -5.510
  158   2HG   LYS  14          1HG       LYS  14  -4.696  -1.969  -4.622
  159   1HD   LYS  14          2HD       LYS  14  -4.045  -3.055  -6.582
  160   2HD   LYS  14          1HD       LYS  14  -5.218  -2.171  -7.569
  161   1HE   LYS  14          2HE       LYS  14  -4.004  -0.101  -7.148
  162   2HE   LYS  14          1HE       LYS  14  -2.863  -0.950  -6.111
  163   1HZ   LYS  14          1HZ       LYS  14  -3.257  -1.470  -9.004
  164   2HZ   LYS  14          3HZ       LYS  14  -1.999  -0.578  -8.336
  165   3HZ   LYS  14          2HZ       LYS  14  -2.108  -2.212  -8.005
  166    QB   LYS  14           QB       LYS  14  -6.628  -3.228  -5.827
  167    QD   LYS  14           QD       LYS  14  -4.631  -2.613  -7.076
  168    QG   LYS  14           QG       LYS  14  -5.214  -1.403  -5.066
  169    QE   LYS  14           QE       LYS  14  -3.433  -0.525  -6.630
  170    QZ   LYS  14           QZ       LYS  14  -2.455  -1.420  -8.449
  171    H    LYS  15           H        LYS  15  -7.331  -5.300  -4.262
  172    HA   LYS  15           HA       LYS  15  -9.908  -5.675  -5.346
  173   1HB   LYS  15          2HB       LYS  15  -8.109  -7.600  -3.892
  174   2HB   LYS  15          1HB       LYS  15  -9.575  -8.078  -4.728
  175   1HG   LYS  15          2HG       LYS  15  -7.174  -6.778  -6.011
  176   2HG   LYS  15          1HG       LYS  15  -7.539  -8.498  -6.044
  177   1HD   LYS  15          2HD       LYS  15  -9.255  -6.300  -7.239
  178   2HD   LYS  15          1HD       LYS  15  -8.202  -7.385  -8.136
  179   1HE   LYS  15          2HE       LYS  15  -9.541  -9.311  -7.350
  180   2HE   LYS  15          1HE       LYS  15 -10.614  -8.205  -6.507
  181   1HZ   LYS  15          3HZ       LYS  15 -11.197  -7.214  -8.656
  182   2HZ   LYS  15          2HZ       LYS  15 -10.173  -8.297  -9.441
  183   3HZ   LYS  15          1HZ       LYS  15 -11.524  -8.861  -8.614
  184    QB   LYS  15           QB       LYS  15  -8.842  -7.839  -4.310
  185    QD   LYS  15           QD       LYS  15  -8.728  -6.842  -7.688
  186    QG   LYS  15           QG       LYS  15  -7.356  -7.638  -6.028
  187    QE   LYS  15           QE       LYS  15 -10.077  -8.758  -6.929
  188    QZ   LYS  15           QZ       LYS  15 -10.965  -8.124  -8.904
  189    H    GLU  16           H        GLU  16  -8.749  -5.869  -2.032
  190    HA   GLU  16           HA       GLU  16 -11.141  -6.733  -0.853
  191   1HB   GLU  16          2HB       GLU  16  -8.928  -6.758   0.244
  192   2HB   GLU  16          1HB       GLU  16  -8.943  -5.008   0.302
  193   1HG   GLU  16          2HG       GLU  16 -10.802  -5.028   1.831
  194   2HG   GLU  16          1HG       GLU  16 -10.932  -6.782   1.698
  195    QB   GLU  16           QB       GLU  16  -8.935  -5.883   0.273
  196    QG   GLU  16           QG       GLU  16 -10.867  -5.905   1.764
  197    H    LEU  17           H        LEU  17  -9.831  -3.527  -1.489
  198    HA   LEU  17           HA       LEU  17 -11.820  -1.988  -0.297
  199   1HB   LEU  17          2HB       LEU  17  -9.497  -1.320  -1.185
  200   2HB   LEU  17          1HB       LEU  17 -10.235  -1.231  -2.760
  201    HG   LEU  17           HG       LEU  17  -9.892   0.981  -1.675
  202   1HD1  LEU  17          1HD1      LEU  17 -11.628   0.782  -3.361
  203   2HD1  LEU  17          3HD1      LEU  17 -12.770   0.307  -2.097
  204   3HD1  LEU  17          2HD1      LEU  17 -12.075   1.925  -2.082
  205   1HD2  LEU  17          2HD2      LEU  17 -10.259   0.299   0.619
  206   2HD2  LEU  17          1HD2      LEU  17 -11.298   1.654   0.175
  207   3HD2  LEU  17          3HD2      LEU  17 -11.966   0.029   0.282
  208    MD1  LEU  17           QD1      LEU  17 -12.158   1.005  -2.514
  209    MD2  LEU  17           QD2      LEU  17 -11.174   0.661   0.358
  210    QB   LEU  17           QB       LEU  17  -9.866  -1.275  -1.973
  211    QD   LEU  17           QQD      LEU  17 -11.666   0.833  -1.078
  212    H    ILE  18           H        ILE  18 -11.489  -3.181  -3.627
  213    HA   ILE  18           HA       ILE  18 -13.781  -2.050  -4.784
  214    HB   ILE  18           HB       ILE  18 -12.593  -4.780  -5.419
  215   1HG1  ILE  18          2HG1      ILE  18 -12.072  -2.088  -6.691
  216   2HG1  ILE  18          1HG1      ILE  18 -10.978  -2.916  -5.596
  217   1HG2  ILE  18          3HG2      ILE  18 -14.393  -3.012  -7.080
  218   2HG2  ILE  18          2HG2      ILE  18 -13.639  -4.501  -7.637
  219   3HG2  ILE  18          1HG2      ILE  18 -14.841  -4.550  -6.344
  220   1HD1  ILE  18          3HD1      ILE  18 -10.740  -4.732  -7.223
  221   2HD1  ILE  18          2HD1      ILE  18 -11.832  -3.882  -8.312
  222   3HD1  ILE  18          1HD1      ILE  18 -10.270  -3.171  -7.900
  223    MG   ILE  18           QG2      ILE  18 -14.291  -4.021  -7.021
  224    MD   ILE  18           QD1      ILE  18 -10.947  -3.928  -7.812
  225    QG   ILE  18           QG1      ILE  18 -11.525  -2.502  -6.144
  226    H    TYR  19           H        TYR  19 -13.402  -5.073  -3.052
  227    HA   TYR  19           HA       TYR  19 -16.018  -6.068  -3.341
  228   1HB   TYR  19          2HB       TYR  19 -14.119  -7.448  -2.628
  229   2HB   TYR  19          1HB       TYR  19 -13.991  -6.526  -1.138
  230    HD1  TYR  19          1HD       TYR  19 -16.075  -8.918  -3.008
  231    HD2  TYR  19          2HD       TYR  19 -15.375  -7.026   0.734
  232    HE1  TYR  19          1HE       TYR  19 -17.630 -10.482  -1.932
  233    HE2  TYR  19          2HE       TYR  19 -16.928  -8.586   1.818
  234    HH   TYR  19           HH       TYR  19 -18.136 -11.376   0.277
  235    QB   TYR  19           QB       TYR  19 -14.055  -6.987  -1.883
  236    QD   TYR  19           QD       TYR  19 -15.725  -7.972  -1.137
  237    QE   TYR  19           QE       TYR  19 -17.279  -9.534  -0.057
  238    QR   TYR  19           QR       TYR  19 -16.502  -8.753  -0.597
  239    H    LEU  20           H        LEU  20 -14.547  -3.962  -0.963
  240    HA   LEU  20           HA       LEU  20 -16.811  -3.859   0.746
  241   1HB   LEU  20          2HB       LEU  20 -14.435  -2.021   0.563
  242   2HB   LEU  20          1HB       LEU  20 -15.614  -2.032   1.864
  243    HG   LEU  20           HG       LEU  20 -13.775  -4.322   1.170
  244   1HD1  LEU  20          3HD1      LEU  20 -12.551  -2.452   2.083
  245   2HD1  LEU  20          2HD1      LEU  20 -13.674  -2.364   3.441
  246   3HD1  LEU  20          1HD1      LEU  20 -12.636  -3.776   3.245
  247   1HD2  LEU  20          3HD2      LEU  20 -15.680  -3.956   3.485
  248   2HD2  LEU  20          2HD2      LEU  20 -15.873  -5.095   2.153
  249   3HD2  LEU  20          1HD2      LEU  20 -14.542  -5.288   3.288
  250    MD1  LEU  20           QD1      LEU  20 -12.954  -2.864   2.923
  251    MD2  LEU  20           QD2      LEU  20 -15.365  -4.779   2.975
  252    QB   LEU  20           QB       LEU  20 -15.024  -2.026   1.213
  253    QD   LEU  20           QQD      LEU  20 -14.159  -3.822   2.949
  254    H    VAL  21           H        VAL  21 -15.750  -1.958  -1.984
  255    HA   VAL  21           HA       VAL  21 -17.548   0.207  -1.691
  256    HB   VAL  21           HB       VAL  21 -16.486  -0.984  -4.290
  257   1HG1  VAL  21          1HG1      VAL  21 -18.427   0.449  -4.674
  258   2HG1  VAL  21          3HG1      VAL  21 -17.662   1.747  -3.761
  259   3HG1  VAL  21          2HG1      VAL  21 -16.956   1.209  -5.284
  260   1HG2  VAL  21          2HG2      VAL  21 -14.703  -0.281  -2.809
  261   2HG2  VAL  21          1HG2      VAL  21 -14.814   0.794  -4.201
  262   3HG2  VAL  21          3HG2      VAL  21 -15.452   1.307  -2.637
  263    MG1  VAL  21           QG1      VAL  21 -17.682   1.135  -4.573
  264    MG2  VAL  21           QG2      VAL  21 -14.990   0.607  -3.216
  265    QG   VAL  21           QQG      VAL  21 -16.336   0.871  -3.895
  266    H    GLU  22           H        GLU  22 -17.871  -2.969  -3.053
  267    HA   GLU  22           HA       GLU  22 -20.413  -2.608  -4.223
  268   1HB   GLU  22          2HB       GLU  22 -19.122  -5.151  -3.249
  269   2HB   GLU  22          1HB       GLU  22 -20.491  -5.045  -4.349
  270   1HG   GLU  22          2HG       GLU  22 -17.713  -4.024  -4.886
  271   2HG   GLU  22          1HG       GLU  22 -18.419  -5.492  -5.547
  272    QB   GLU  22           QB       GLU  22 -19.806  -5.098  -3.799
  273    QG   GLU  22           QG       GLU  22 -18.066  -4.758  -5.217
  274    H    LYS  23           H        LYS  23 -19.416  -3.837  -1.059
  275    HA   LYS  23           HA       LYS  23 -22.175  -4.208  -0.313
  276   1HB   LYS  23          2HB       LYS  23 -19.633  -4.807   1.124
  277   2HB   LYS  23          1HB       LYS  23 -21.152  -4.759   2.007
  278   1HG   LYS  23          2HG       LYS  23 -22.065  -6.430   0.428
  279   2HG   LYS  23          1HG       LYS  23 -20.471  -6.538  -0.320
  280   1HD   LYS  23          2HD       LYS  23 -19.508  -7.428   1.658
  281   2HD   LYS  23          1HD       LYS  23 -20.932  -7.021   2.616
  282   1HE   LYS  23          2HE       LYS  23 -20.886  -9.407   2.158
  283   2HE   LYS  23          1HE       LYS  23 -22.248  -8.657   1.336
  284   1HZ   LYS  23          3HZ       LYS  23 -20.835  -8.670  -0.725
  285   2HZ   LYS  23          2HZ       LYS  23 -19.700  -9.592   0.159
  286   3HZ   LYS  23          1HZ       LYS  23 -21.222 -10.197  -0.105
  287    QB   LYS  23           QB       LYS  23 -20.392  -4.783   1.565
  288    QD   LYS  23           QD       LYS  23 -20.220  -7.224   2.137
  289    QG   LYS  23           QG       LYS  23 -21.268  -6.484   0.054
  290    QE   LYS  23           QE       LYS  23 -21.567  -9.032   1.747
  291    QZ   LYS  23           QZ       LYS  23 -20.586  -9.486  -0.224
  292    H    TYR  24           H        TYR  24 -19.760  -1.795   0.477
  293    HA   TYR  24           HA       TYR  24 -21.699  -0.602   2.348
  294   1HB   TYR  24          2HB       TYR  24 -18.727  -0.182   2.115
  295   2HB   TYR  24          1HB       TYR  24 -19.776   0.665   3.244
  296    HD1  TYR  24          1HD       TYR  24 -20.745  -0.493   5.140
  297    HD2  TYR  24          2HD       TYR  24 -18.126  -2.490   2.461
  298    HE1  TYR  24          1HE       TYR  24 -20.475  -2.316   6.764
  299    HE2  TYR  24          2HE       TYR  24 -17.853  -4.315   4.076
  300    HH   TYR  24           HH       TYR  24 -19.894  -4.662   6.718
  301    QB   TYR  24           QB       TYR  24 -19.251   0.242   2.679
  302    QD   TYR  24           QD       TYR  24 -19.435  -1.491   3.800
  303    QE   TYR  24           QE       TYR  24 -19.164  -3.315   5.420
  304    QR   TYR  24           QR       TYR  24 -19.300  -2.403   4.610
  305    H    GLY  25           H        GLY  25 -19.671   0.131  -0.393
  306   1HA   GLY  25          1HA       GLY  25 -21.118   2.669  -0.681
  307   2HA   GLY  25          2HA       GLY  25 -20.377   1.772  -2.006
  308    QA   GLY  25           QA       GLY  25 -20.747   2.221  -1.344
  309    H    PHE  26           H        PHE  26 -19.195   3.700  -2.537
  310    HA   PHE  26           HA       PHE  26 -16.612   3.659  -1.289
  311   1HB   PHE  26          2HB       PHE  26 -16.985   3.881  -3.769
  312   2HB   PHE  26          1HB       PHE  26 -17.582   5.508  -3.473
  313    HD1  PHE  26          1HD       PHE  26 -16.087   7.301  -3.492
  314    HD2  PHE  26          2HD       PHE  26 -14.604   3.349  -2.960
  315    HE1  PHE  26          1HE       PHE  26 -13.790   8.147  -3.642
  316    HE2  PHE  26          2HE       PHE  26 -12.299   4.193  -3.107
  317    HZ   PHE  26           HZ       PHE  26 -11.889   6.592  -3.444
  318    QB   PHE  26           QB       PHE  26 -17.283   4.695  -3.621
  319    QD   PHE  26           QD       PHE  26 -15.345   5.325  -3.226
  320    QE   PHE  26           QE       PHE  26 -13.044   6.170  -3.375
  321    QR   PHE  26           QR       PHE  26 -13.734   5.917  -3.329
  322    H    THR  27           H        THR  27 -19.427   5.484  -0.810
  323    HA   THR  27           HA       THR  27 -18.090   7.814   0.246
  324    HB   THR  27           HB       THR  27 -21.029   7.129   0.492
  325    HG1  THR  27          1HG       THR  27 -21.296   7.612  -1.570
  326   1HG2  THR  27          1HG2      THR  27 -20.200   9.157   1.663
  327   2HG2  THR  27          3HG2      THR  27 -19.553   9.757   0.135
  328   3HG2  THR  27          2HG2      THR  27 -21.294   9.567   0.344
  329    MG   THR  27           QG2      THR  27 -20.349   9.494   0.714
  330    H    HIS  28           H        HIS  28 -18.547   4.753   1.356
  331    HA   HIS  28           HA       HIS  28 -19.367   5.350   4.035
  332   1HB   HIS  28          2HB       HIS  28 -20.006   3.201   3.078
  333   2HB   HIS  28          1HB       HIS  28 -18.322   2.793   2.790
  334    HD1  HIS  28          1HD       HIS  28 -20.654   3.428   5.766
  335    HD2  HIS  28          2HD       HIS  28 -17.157   1.434   4.767
  336    HE1  HIS  28          1HE       HIS  28 -19.967   2.166   7.811
  337    QB   HIS  28           QB       HIS  28 -19.164   2.997   2.934
  338    H    HIS  29           H        HIS  29 -18.177   5.539   5.786
  339    HA   HIS  29           HA       HIS  29 -15.764   6.842   5.762
  340   1HB   HIS  29          2HB       HIS  29 -16.774   5.149   8.048
  341   2HB   HIS  29          1HB       HIS  29 -15.629   6.477   8.160
  342    HD1  HIS  29          1HD       HIS  29 -18.911   5.889   9.079
  343    HD2  HIS  29          2HD       HIS  29 -17.129   8.898   6.826
  344    HE1  HIS  29          1HE       HIS  29 -20.504   7.799   9.110
  345    QB   HIS  29           QB       HIS  29 -16.201   5.813   8.104
  346    H    LYS  30           H        LYS  30 -16.223   3.370   6.405
  347    HA   LYS  30           HA       LYS  30 -13.492   2.877   6.911
  348   1HB   LYS  30          2HB       LYS  30 -15.638   0.936   6.029
  349   2HB   LYS  30          1HB       LYS  30 -14.033   0.473   6.571
  350   1HG   LYS  30          2HG       LYS  30 -14.475   1.389   8.767
  351   2HG   LYS  30          1HG       LYS  30 -16.060   1.951   8.237
  352   1HD   LYS  30          2HD       LYS  30 -16.733  -0.363   7.805
  353   2HD   LYS  30          1HD       LYS  30 -15.147  -0.925   8.333
  354   1HE   LYS  30          2HE       LYS  30 -17.097   0.605  10.059
  355   2HE   LYS  30          1HE       LYS  30 -16.919  -1.145  10.062
  356   1HZ   LYS  30          2HZ       LYS  30 -14.617  -0.847  10.763
  357   2HZ   LYS  30          1HZ       LYS  30 -14.807   0.823  10.818
  358   3HZ   LYS  30          3HZ       LYS  30 -15.683  -0.177  11.866
  359    QB   LYS  30           QB       LYS  30 -14.835   0.705   6.300
  360    QD   LYS  30           QD       LYS  30 -15.940  -0.644   8.069
  361    QG   LYS  30           QG       LYS  30 -15.267   1.670   8.502
  362    QE   LYS  30           QE       LYS  30 -17.008  -0.270  10.060
  363    QZ   LYS  30           QZ       LYS  30 -15.036  -0.067  11.149
  364    H    VAL  31           H        VAL  31 -15.391   2.754   3.966
  365    HA   VAL  31           HA       VAL  31 -13.354   1.577   2.390
  366    HB   VAL  31           HB       VAL  31 -15.734   3.259   1.512
  367   1HG1  VAL  31          3HG1      VAL  31 -13.961   1.391  -0.056
  368   2HG1  VAL  31          2HG1      VAL  31 -15.455   2.096  -0.655
  369   3HG1  VAL  31          1HG1      VAL  31 -14.079   3.137  -0.260
  370   1HG2  VAL  31          1HG2      VAL  31 -16.403   1.294   2.781
  371   2HG2  VAL  31          3HG2      VAL  31 -16.828   1.114   1.080
  372   3HG2  VAL  31          2HG2      VAL  31 -15.425   0.268   1.737
  373    MG1  VAL  31           QG1      VAL  31 -14.498   2.208  -0.324
  374    MG2  VAL  31           QG2      VAL  31 -16.219   0.892   1.866
  375    QG   VAL  31           QQG      VAL  31 -15.358   1.550   0.771
  376    H    ILE  32           H        ILE  32 -14.300   4.885   3.103
  377    HA   ILE  32           HA       ILE  32 -12.451   6.197   1.431
  378    HB   ILE  32           HB       ILE  32 -13.578   7.106   4.104
  379   1HG1  ILE  32          2HG1      ILE  32 -14.495   7.721   1.279
  380   2HG1  ILE  32          1HG1      ILE  32 -15.294   6.615   2.387
  381   1HG2  ILE  32          3HG2      ILE  32 -12.234   8.718   1.929
  382   2HG2  ILE  32          2HG2      ILE  32 -13.017   9.395   3.357
  383   3HG2  ILE  32          1HG2      ILE  32 -11.578   8.386   3.533
  384   1HD1  ILE  32          2HD1      ILE  32 -15.779   8.485   3.890
  385   2HD1  ILE  32          1HD1      ILE  32 -14.967   9.581   2.771
  386   3HD1  ILE  32          3HD1      ILE  32 -16.443   8.750   2.276
  387    MG   ILE  32           QG2      ILE  32 -12.276   8.833   2.939
  388    MD   ILE  32           QD1      ILE  32 -15.730   8.939   2.979
  389    QG   ILE  32           QG1      ILE  32 -14.894   7.168   1.833
  390    H    SER  33           H        SER  33 -12.190   5.227   4.845
  391    HA   SER  33           HA       SER  33  -9.560   6.146   5.143
  392   1HB   SER  33          2HB       SER  33  -9.589   4.620   7.225
  393   2HB   SER  33          1HB       SER  33 -10.759   5.937   7.143
  394    HG   SER  33           HG       SER  33 -12.329   4.576   6.729
  395    QB   SER  33           QB       SER  33 -10.174   5.279   7.184
  396    H    PHE  34           H        PHE  34 -10.770   2.949   4.177
  397    HA   PHE  34           HA       PHE  34  -8.178   1.804   4.127
  398   1HB   PHE  34          2HB       PHE  34 -10.642   0.973   2.592
  399   2HB   PHE  34          1HB       PHE  34  -9.139   0.061   2.605
  400    HD1  PHE  34          1HD       PHE  34 -12.192  -0.318   3.582
  401    HD2  PHE  34          2HD       PHE  34  -8.406   0.126   5.447
  402    HE1  PHE  34          1HE       PHE  34 -13.028  -1.533   5.549
  403    HE2  PHE  34          2HE       PHE  34  -9.224  -1.090   7.418
  404    HZ   PHE  34           HZ       PHE  34 -11.542  -1.924   7.475
  405    QB   PHE  34           QB       PHE  34  -9.890   0.517   2.598
  406    QD   PHE  34           QD       PHE  34 -10.299  -0.096   4.514
  407    QE   PHE  34           QE       PHE  34 -11.126  -1.311   6.483
  408    QR   PHE  34           QR       PHE  34 -10.878  -0.948   5.894
  409    H    SER  35           H        SER  35 -10.000   3.681   1.795
  410    HA   SER  35           HA       SER  35  -8.245   3.272  -0.362
  411   1HB   SER  35          2HB       SER  35 -10.038   5.633   0.266
  412   2HB   SER  35          1HB       SER  35  -9.217   5.389  -1.276
  413    HG   SER  35           HG       SER  35 -11.254   3.820  -0.086
  414    QB   SER  35           QB       SER  35  -9.627   5.511  -0.505
  415    H    GLN  36           H        GLN  36  -8.196   5.543   2.335
  416    HA   GLN  36           HA       GLN  36  -5.966   7.078   1.474
  417   1HB   GLN  36          2HB       GLN  36  -6.827   6.443   4.297
  418   2HB   GLN  36          1HB       GLN  36  -5.735   7.731   3.825
  419   1HG   GLN  36          2HG       GLN  36  -7.550   8.844   2.647
  420   2HG   GLN  36          1HG       GLN  36  -8.649   7.534   3.092
  421   1HE2  GLN  36          1HE2      GLN  36  -8.804  10.351   3.766
  422   2HE2  GLN  36          2HE2      GLN  36  -8.776  10.429   5.496
  423    QB   GLN  36           QB       GLN  36  -6.281   7.087   4.061
  424    QG   GLN  36           QG       GLN  36  -8.099   8.189   2.869
  425    QE   GLN  36           QE2      GLN  36  -8.790  10.390   4.631
  426    H    GLU  37           H        GLU  37  -6.334   4.141   3.300
  427    HA   GLU  37           HA       GLU  37  -3.623   3.767   4.043
  428   1HB   GLU  37          2HB       GLU  37  -5.525   2.696   5.166
  429   2HB   GLU  37          1HB       GLU  37  -5.864   1.772   3.717
  430   1HG   GLU  37          2HG       GLU  37  -3.763   0.588   3.953
  431   2HG   GLU  37          1HG       GLU  37  -3.365   1.557   5.374
  432    QB   GLU  37           QB       GLU  37  -5.694   2.234   4.441
  433    QG   GLU  37           QG       GLU  37  -3.564   1.073   4.663
  434    H    LEU  38           H        LEU  38  -5.592   2.593   1.370
  435    HA   LEU  38           HA       LEU  38  -3.675   1.001   0.091
  436   1HB   LEU  38          2HB       LEU  38  -6.136   1.020  -0.324
  437   2HB   LEU  38          1HB       LEU  38  -5.965   2.571  -1.104
  438    HG   LEU  38           HG       LEU  38  -4.698   1.492  -2.965
  439   1HD1  LEU  38          2HD1      LEU  38  -3.601  -0.200  -1.627
  440   2HD1  LEU  38          1HD1      LEU  38  -5.152  -1.027  -1.451
  441   3HD1  LEU  38          3HD1      LEU  38  -4.420  -0.851  -3.044
  442   1HD2  LEU  38          1HD2      LEU  38  -7.165   1.618  -3.023
  443   2HD2  LEU  38          3HD2      LEU  38  -6.515   0.213  -3.866
  444   3HD2  LEU  38          2HD2      LEU  38  -7.232   0.028  -2.264
  445    MD1  LEU  38           QD1      LEU  38  -4.391  -0.692  -2.041
  446    MD2  LEU  38           QD2      LEU  38  -6.971   0.620  -3.051
  447    QB   LEU  38           QB       LEU  38  -6.050   1.796  -0.714
  448    QD   LEU  38           QQD      LEU  38  -5.681  -0.036  -2.546
  449    H    ASP  39           H        ASP  39  -4.550   4.379  -0.212
  450    HA   ASP  39           HA       ASP  39  -2.771   5.208  -2.211
  451   1HB   ASP  39          2HB       ASP  39  -4.546   6.675  -1.558
  452   2HB   ASP  39          1HB       ASP  39  -4.022   6.668   0.116
  453    QB   ASP  39           QB       ASP  39  -4.284   6.672  -0.721
  454    H    ARG  40           H        ARG  40  -2.390   4.941   1.266
  455    HA   ARG  40           HA       ARG  40   0.125   6.112   1.559
  456   1HB   ARG  40          2HB       ARG  40  -1.296   5.588   3.465
  457   2HB   ARG  40          1HB       ARG  40  -1.141   3.872   3.141
  458   1HG   ARG  40          2HG       ARG  40   1.273   4.027   3.637
  459   2HG   ARG  40          1HG       ARG  40   1.056   5.731   4.034
  460   1HD   ARG  40          2HD       ARG  40  -0.330   3.428   5.398
  461   2HD   ARG  40          1HD       ARG  40   1.062   4.301   6.037
  462    HE   ARG  40           HE       ARG  40  -0.410   6.308   5.932
  463   1HH1  ARG  40          1HH1      ARG  40  -1.735   3.065   6.528
  464   2HH1  ARG  40          2HH1      ARG  40  -3.106   3.644   7.368
  465   1HH2  ARG  40          1HH2      ARG  40  -2.365   7.060   7.110
  466   2HH2  ARG  40          2HH2      ARG  40  -3.450   5.888   7.698
  467    QB   ARG  40           QB       ARG  40  -1.218   4.730   3.303
  468    QG   ARG  40           QG       ARG  40   1.165   4.879   3.835
  469    QD   ARG  40           QD       ARG  40   0.366   3.865   5.717
  470    QH1  ARG  40           QH1      ARG  40  -2.420   3.355   6.948
  471    QH2  ARG  40           QH2      ARG  40  -2.907   6.474   7.404
  472    H    LEU  41           H        LEU  41  -0.691   2.691   0.941
  473    HA   LEU  41           HA       LEU  41   2.061   1.968   0.845
  474   1HB   LEU  41          2HB       LEU  41  -0.398   0.445   0.024
  475   2HB   LEU  41          1HB       LEU  41   1.222  -0.128  -0.318
  476    HG   LEU  41           HG       LEU  41   1.687  -0.160   2.119
  477   1HD1  LEU  41          1HD1      LEU  41   0.037   1.440   2.895
  478   2HD1  LEU  41          3HD1      LEU  41  -1.264   0.358   2.404
  479   3HD1  LEU  41          2HD1      LEU  41  -0.165  -0.118   3.696
  480   1HD2  LEU  41          2HD2      LEU  41   1.085  -2.154   0.885
  481   2HD2  LEU  41          1HD2      LEU  41   0.432  -2.207   2.523
  482   3HD2  LEU  41          3HD2      LEU  41  -0.625  -1.830   1.163
  483    MD1  LEU  41           QD1      LEU  41  -0.464   0.560   2.998
  484    MD2  LEU  41           QD2      LEU  41   0.297  -2.063   1.523
  485    QB   LEU  41           QB       LEU  41   0.412   0.159  -0.147
  486    QD   LEU  41           QQD      LEU  41  -0.083  -0.752   2.261
  487    H    LEU  42           H        LEU  42  -0.265   2.921  -1.553
  488    HA   LEU  42           HA       LEU  42   1.280   2.315  -3.842
  489   1HB   LEU  42          2HB       LEU  42  -1.189   2.915  -3.724
  490   2HB   LEU  42          1HB       LEU  42  -0.713   4.571  -3.464
  491    HG   LEU  42           HG       LEU  42  -0.059   3.037  -5.998
  492   1HD1  LEU  42          1HD1      LEU  42  -2.369   4.872  -5.402
  493   2HD1  LEU  42          3HD1      LEU  42  -1.951   4.231  -6.986
  494   3HD1  LEU  42          2HD1      LEU  42  -2.466   3.136  -5.703
  495   1HD2  LEU  42          2HD2      LEU  42   1.322   5.042  -5.601
  496   2HD2  LEU  42          1HD2      LEU  42   0.231   5.262  -6.967
  497   3HD2  LEU  42          3HD2      LEU  42  -0.145   6.006  -5.412
  498    MD1  LEU  42           QD1      LEU  42  -2.262   4.080  -6.031
  499    MD2  LEU  42           QD2      LEU  42   0.469   5.437  -5.994
  500    QB   LEU  42           QB       LEU  42  -0.951   3.743  -3.594
  501    QD   LEU  42           QQD      LEU  42  -0.896   4.758  -6.012
  502    H    ASN  43           H        ASN  43   1.034   5.120  -1.737
  503    HA   ASN  43           HA       ASN  43   2.814   6.867  -2.938
  504   1HB   ASN  43          2HB       ASN  43   1.296   7.466  -1.116
  505   2HB   ASN  43          1HB       ASN  43   2.221   6.456  -0.011
  506   1HD2  ASN  43          1HD2      ASN  43   2.137   9.333  -1.810
  507   2HD2  ASN  43          2HD2      ASN  43   3.444  10.156  -1.034
  508    QB   ASN  43           QB       ASN  43   1.759   6.961  -0.564
  509    QD   ASN  43           QD2      ASN  43   2.791   9.745  -1.422
  510    H    LEU  44           H        LEU  44   3.332   4.232  -0.665
  511    HA   LEU  44           HA       LEU  44   6.016   4.621  -0.051
  512   1HB   LEU  44          2HB       LEU  44   4.413   2.087  -0.260
  513   2HB   LEU  44          1HB       LEU  44   6.079   2.073   0.249
  514    HG   LEU  44           HG       LEU  44   3.862   3.549   1.687
  515   1HD1  LEU  44          1HD1      LEU  44   3.605   1.094   1.786
  516   2HD1  LEU  44          3HD1      LEU  44   5.262   0.969   2.371
  517   3HD1  LEU  44          2HD1      LEU  44   4.039   1.783   3.346
  518   1HD2  LEU  44          1HD2      LEU  44   6.722   2.973   2.450
  519   2HD2  LEU  44          3HD2      LEU  44   6.072   4.553   2.017
  520   3HD2  LEU  44          2HD2      LEU  44   5.524   3.736   3.483
  521    MD1  LEU  44           QD1      LEU  44   4.302   1.282   2.501
  522    MD2  LEU  44           QD2      LEU  44   6.106   3.754   2.650
  523    QB   LEU  44           QB       LEU  44   5.246   2.080  -0.006
  524    QD   LEU  44           QQD      LEU  44   5.204   2.518   2.575
  525    H    LEU  45           H        LEU  45   4.595   2.951  -2.812
  526    HA   LEU  45           HA       LEU  45   6.941   1.930  -3.940
  527   1HB   LEU  45          2HB       LEU  45   4.540   3.051  -5.385
  528   2HB   LEU  45          1HB       LEU  45   5.766   2.031  -6.101
  529    HG   LEU  45           HG       LEU  45   3.812   1.211  -3.955
  530   1HD1  LEU  45          1HD1      LEU  45   3.977   0.502  -6.881
  531   2HD1  LEU  45          3HD1      LEU  45   2.846  -0.186  -5.719
  532   3HD1  LEU  45          2HD1      LEU  45   2.762   1.527  -6.122
  533   1HD2  LEU  45          2HD2      LEU  45   5.910  -0.392  -5.426
  534   2HD2  LEU  45          1HD2      LEU  45   5.924   0.016  -3.712
  535   3HD2  LEU  45          3HD2      LEU  45   4.684  -1.065  -4.349
  536    MD1  LEU  45           QD1      LEU  45   3.195   0.615  -6.241
  537    MD2  LEU  45           QD2      LEU  45   5.506  -0.480  -4.496
  538    QB   LEU  45           QB       LEU  45   5.153   2.541  -5.743
  539    QD   LEU  45           QQD      LEU  45   4.351   0.067  -5.369
  540    H    ILE  46           H        ILE  46   5.371   5.035  -4.380
  541    HA   ILE  46           HA       ILE  46   7.299   6.073  -6.197
  542    HB   ILE  46           HB       ILE  46   5.330   7.596  -4.461
  543   1HG1  ILE  46          2HG1      ILE  46   5.036   6.625  -7.318
  544   2HG1  ILE  46          1HG1      ILE  46   4.264   5.888  -5.920
  545   1HG2  ILE  46          1HG2      ILE  46   7.114   9.016  -5.365
  546   2HG2  ILE  46          3HG2      ILE  46   6.775   8.416  -6.990
  547   3HG2  ILE  46          2HG2      ILE  46   5.570   9.378  -6.135
  548   1HD1  ILE  46          1HD1      ILE  46   3.789   8.676  -6.952
  549   2HD1  ILE  46          3HD1      ILE  46   2.721   7.286  -7.156
  550   3HD1  ILE  46          2HD1      ILE  46   3.006   7.947  -5.547
  551    MG   ILE  46           QG2      ILE  46   6.486   8.937  -6.164
  552    MD   ILE  46           QD1      ILE  46   3.172   7.970  -6.552
  553    QG   ILE  46           QG1      ILE  46   4.650   6.257  -6.619
  554    H    GLU  47           H        GLU  47   6.796   6.371  -2.730
  555    HA   GLU  47           HA       GLU  47   8.726   8.336  -2.269
  556   1HB   GLU  47          2HB       GLU  47   6.979   7.937  -0.656
  557   2HB   GLU  47          1HB       GLU  47   7.547   6.297  -0.389
  558   1HG   GLU  47          2HG       GLU  47   9.524   7.073   0.678
  559   2HG   GLU  47          1HG       GLU  47   9.189   8.737   0.215
  560    QB   GLU  47           QB       GLU  47   7.263   7.117  -0.523
  561    QG   GLU  47           QG       GLU  47   9.357   7.905   0.446
  562    H    LEU  48           H        LEU  48   8.987   4.804  -1.898
  563    HA   LEU  48           HA       LEU  48  11.700   5.133  -1.170
  564   1HB   LEU  48          2HB       LEU  48  10.148   2.651  -1.838
  565   2HB   LEU  48          1HB       LEU  48  11.872   2.610  -1.541
  566    HG   LEU  48           HG       LEU  48  10.871   1.951   0.466
  567   1HD1  LEU  48          3HD1      LEU  48  12.695   3.507   0.777
  568   2HD1  LEU  48          2HD1      LEU  48  11.549   4.853   0.824
  569   3HD1  LEU  48          1HD1      LEU  48  11.512   3.628   2.081
  570   1HD2  LEU  48          2HD2      LEU  48   9.067   4.363   0.326
  571   2HD2  LEU  48          1HD2      LEU  48   8.583   2.685   0.090
  572   3HD2  LEU  48          3HD2      LEU  48   9.149   3.222   1.670
  573    MD1  LEU  48           QD1      LEU  48  11.919   3.996   1.227
  574    MD2  LEU  48           QD2      LEU  48   8.933   3.424   0.695
  575    QB   LEU  48           QB       LEU  48  11.010   2.631  -1.690
  576    QD   LEU  48           QQD      LEU  48  10.426   3.710   0.961
  577    H    LYS  49           H        LYS  49  10.140   4.560  -4.229
  578    HA   LYS  49           HA       LYS  49  12.552   4.023  -5.639
  579   1HB   LYS  49          2HB       LYS  49   9.808   4.854  -6.508
  580   2HB   LYS  49          1HB       LYS  49  11.122   4.765  -7.663
  581   1HG   LYS  49          2HG       LYS  49  11.387   2.405  -7.247
  582   2HG   LYS  49          1HG       LYS  49  10.196   2.471  -5.941
  583   1HD   LYS  49          2HD       LYS  49   8.446   3.028  -7.477
  584   2HD   LYS  49          1HD       LYS  49   9.586   3.205  -8.805
  585   1HE   LYS  49          2HE       LYS  49   9.046   0.628  -7.325
  586   2HE   LYS  49          1HE       LYS  49   8.300   1.081  -8.856
  587   1HZ   LYS  49          2HZ       LYS  49  10.490   1.147  -9.861
  588   2HZ   LYS  49          1HZ       LYS  49  11.231   0.686  -8.436
  589   3HZ   LYS  49          3HZ       LYS  49  10.186  -0.361  -9.244
  590    QB   LYS  49           QB       LYS  49  10.465   4.810  -7.086
  591    QD   LYS  49           QD       LYS  49   9.016   3.117  -8.141
  592    QG   LYS  49           QG       LYS  49  10.792   2.438  -6.594
  593    QE   LYS  49           QE       LYS  49   8.673   0.855  -8.091
  594    QZ   LYS  49           QZ       LYS  49  10.636   0.491  -9.181
  595    H    THR  50           H        THR  50  10.946   6.993  -4.704
  596    HA   THR  50           HA       THR  50  12.474   8.573  -6.512
  597    HB   THR  50           HB       THR  50  10.159   9.203  -5.534
  598    HG1  THR  50          1HG       THR  50  12.184  11.202  -5.347
  599   1HG2  THR  50          2HG2      THR  50  10.693   8.890  -3.154
  600   2HG2  THR  50          1HG2      THR  50  11.881  10.183  -3.245
  601   3HG2  THR  50          3HG2      THR  50  10.169  10.542  -3.464
  602    MG   THR  50           QG2      THR  50  10.914   9.872  -3.288
  603    H    LYS  51           H        LYS  51  13.075   7.227  -3.389
  604    HA   LYS  51           HA       LYS  51  15.265   9.005  -2.829
  605   1HB   LYS  51          2HB       LYS  51  14.336   6.482  -1.427
  606   2HB   LYS  51          1HB       LYS  51  15.496   7.641  -0.808
  607   1HG   LYS  51          2HG       LYS  51  13.781   9.320  -0.601
  608   2HG   LYS  51          1HG       LYS  51  12.600   8.260  -1.371
  609   1HD   LYS  51          2HD       LYS  51  12.156   8.130   0.957
  610   2HD   LYS  51          1HD       LYS  51  12.999   6.644   0.545
  611   1HE   LYS  51          2HE       LYS  51  13.872   7.505   2.618
  612   2HE   LYS  51          1HE       LYS  51  15.099   7.651   1.361
  613   1HZ   LYS  51          2HZ       LYS  51  14.494  10.009   1.133
  614   2HZ   LYS  51          1HZ       LYS  51  13.342   9.840   2.326
  615   3HZ   LYS  51          3HZ       LYS  51  14.971   9.670   2.708
  616    QB   LYS  51           QB       LYS  51  14.916   7.062  -1.118
  617    QD   LYS  51           QD       LYS  51  12.578   7.387   0.751
  618    QG   LYS  51           QG       LYS  51  13.191   8.790  -0.986
  619    QE   LYS  51           QE       LYS  51  14.486   7.578   1.989
  620    QZ   LYS  51           QZ       LYS  51  14.269   9.840   2.055
  621    H    LYS  52           H        LYS  52  14.657   5.513  -3.214
  622    HA   LYS  52           HA       LYS  52  15.863   3.718  -3.588
  623   1HB   LYS  52          2HB       LYS  52  16.836   3.499  -5.854
  624   2HB   LYS  52          1HB       LYS  52  15.250   4.236  -5.850
  625   1HG   LYS  52          2HG       LYS  52  16.259   6.422  -6.211
  626   2HG   LYS  52          1HG       LYS  52  17.866   5.700  -6.161
  627   1HD   LYS  52          2HD       LYS  52  17.252   4.291  -8.109
  628   2HD   LYS  52          1HD       LYS  52  15.691   5.108  -8.173
  629   1HE   LYS  52          2HE       LYS  52  17.251   6.046  -9.804
  630   2HE   LYS  52          1HE       LYS  52  16.819   7.240  -8.584
  631   1HZ   LYS  52          1HZ       LYS  52  19.317   5.629  -8.586
  632   2HZ   LYS  52          3HZ       LYS  52  19.212   7.232  -9.075
  633   3HZ   LYS  52          2HZ       LYS  52  18.925   6.826  -7.477
  634    QB   LYS  52           QB       LYS  52  16.043   3.868  -5.852
  635    QD   LYS  52           QD       LYS  52  16.472   4.700  -8.141
  636    QG   LYS  52           QG       LYS  52  17.063   6.061  -6.186
  637    QE   LYS  52           QE       LYS  52  17.035   6.643  -9.194
  638    QZ   LYS  52           QZ       LYS  52  19.151   6.563  -8.380
  639    H    LYS  53           H        LYS  53  17.833   6.361  -3.156
  640    HA   LYS  53           HA       LYS  53  20.383   5.008  -3.054
  641   1HB   LYS  53          2HB       LYS  53  21.157   7.204  -2.289
  642   2HB   LYS  53          1HB       LYS  53  20.274   7.289  -3.805
  643   1HG   LYS  53          2HG       LYS  53  18.251   8.079  -2.553
  644   2HG   LYS  53          1HG       LYS  53  19.189   8.041  -1.075
  645   1HD   LYS  53          2HD       LYS  53  19.808   9.749  -3.500
  646   2HD   LYS  53          1HD       LYS  53  19.122  10.319  -1.981
  647   1HE   LYS  53          2HE       LYS  53  21.165   9.664  -0.799
  648   2HE   LYS  53          1HE       LYS  53  21.845   9.040  -2.296
  649   1HZ   LYS  53          1HZ       LYS  53  21.730  11.298  -3.197
  650   2HZ   LYS  53          3HZ       LYS  53  21.212  11.877  -1.703
  651   3HZ   LYS  53          2HZ       LYS  53  22.731  11.180  -1.848
  652    QB   LYS  53           QB       LYS  53  20.716   7.247  -3.047
  653    QD   LYS  53           QD       LYS  53  19.465  10.034  -2.741
  654    QG   LYS  53           QG       LYS  53  18.720   8.060  -1.814
  655    QE   LYS  53           QE       LYS  53  21.505   9.352  -1.548
  656    QZ   LYS  53           QZ       LYS  53  21.891  11.452  -2.250
  657    H    ARG  54           H        ARG  54  17.988   4.527  -1.171
  658    HA   ARG  54           HA       ARG  54  19.493   4.781   1.313
  659   1HB   ARG  54          2HB       ARG  54  16.610   5.359   0.783
  660   2HB   ARG  54          1HB       ARG  54  17.121   4.822   2.374
  661   1HG   ARG  54          2HG       ARG  54  18.284   7.213   0.970
  662   2HG   ARG  54          1HG       ARG  54  16.935   7.288   2.107
  663   1HD   ARG  54          2HD       ARG  54  19.684   6.204   2.730
  664   2HD   ARG  54          1HD       ARG  54  19.075   7.790   3.201
  665    HE   ARG  54           HE       ARG  54  17.228   6.314   4.289
  666   1HH1  ARG  54          1HH1      ARG  54  20.736   5.666   4.281
  667   2HH1  ARG  54          2HH1      ARG  54  20.714   4.866   5.787
  668   1HH2  ARG  54          1HH2      ARG  54  17.236   5.189   6.377
  669   2HH2  ARG  54          2HH2      ARG  54  18.687   4.597   7.003
  670    QB   ARG  54           QB       ARG  54  16.866   5.091   1.578
  671    QG   ARG  54           QG       ARG  54  17.610   7.251   1.538
  672    QD   ARG  54           QD       ARG  54  19.380   6.997   2.965
  673    QH1  ARG  54           QH1      ARG  54  20.725   5.266   5.034
  674    QH2  ARG  54           QH2      ARG  54  17.962   4.893   6.690
  675    H    TYR  55           H        TYR  55  19.531   3.023   2.615
  676    HA   TYR  55           HA       TYR  55  19.056   0.437   1.731
  677   1HB   TYR  55          2HB       TYR  55  18.783   1.378   4.592
  678   2HB   TYR  55          1HB       TYR  55  19.075  -0.267   4.067
  679    HD1  TYR  55          1HD       TYR  55  20.510   2.861   4.978
  680    HD2  TYR  55          2HD       TYR  55  21.311  -0.796   2.994
  681    HE1  TYR  55          1HE       TYR  55  22.914   3.250   5.262
  682    HE2  TYR  55          2HE       TYR  55  23.727  -0.420   3.264
  683    HH   TYR  55           HH       TYR  55  25.240   1.445   3.620
  684    QB   TYR  55           QB       TYR  55  18.929   0.556   4.329
  685    QD   TYR  55           QD       TYR  55  20.911   1.033   3.986
  686    QE   TYR  55           QE       TYR  55  23.321   1.415   4.263
  687    QR   TYR  55           QR       TYR  55  22.116   1.224   4.124
  688    H    SER  56           H        SER  56  16.941   2.784   3.148
  689    HA   SER  56           HA       SER  56  14.716   1.522   4.003
  690   1HB   SER  56          2HB       SER  56  14.733   4.001   2.321
  691   2HB   SER  56          1HB       SER  56  13.718   3.630   3.715
  692    HG   SER  56           HG       SER  56  15.255   4.242   5.011
  693    QB   SER  56           QB       SER  56  14.226   3.816   3.018
  694    H    LEU  57           H        LEU  57  15.839   1.843   0.668
  695    HA   LEU  57           HA       LEU  57  13.408   1.435  -0.702
  696   1HB   LEU  57          2HB       LEU  57  15.496   2.238  -1.756
  697   2HB   LEU  57          1HB       LEU  57  16.244   0.687  -1.473
  698    HG   LEU  57           HG       LEU  57  14.591  -0.329  -3.024
  699   1HD1  LEU  57          1HD1      LEU  57  13.805   2.511  -3.563
  700   2HD1  LEU  57          3HD1      LEU  57  13.359   1.125  -4.554
  701   3HD1  LEU  57          2HD1      LEU  57  12.793   1.227  -2.890
  702   1HD2  LEU  57          2HD2      LEU  57  16.298   1.872  -4.164
  703   2HD2  LEU  57          1HD2      LEU  57  16.805   0.228  -3.794
  704   3HD2  LEU  57          3HD2      LEU  57  15.624   0.517  -5.067
  705    MD1  LEU  57           QD1      LEU  57  13.319   1.621  -3.669
  706    MD2  LEU  57           QD2      LEU  57  16.242   0.873  -4.342
  707    QB   LEU  57           QB       LEU  57  15.870   1.463  -1.615
  708    QD   LEU  57           QQD      LEU  57  14.781   1.247  -4.006
  709    H    LEU  58           H        LEU  58  15.603  -0.657   0.950
  710    HA   LEU  58           HA       LEU  58  14.077  -3.038   0.218
  711   1HB   LEU  58          2HB       LEU  58  16.629  -2.797   1.854
  712   2HB   LEU  58          1HB       LEU  58  15.846  -4.292   1.414
  713    HG   LEU  58           HG       LEU  58  16.382  -3.666  -1.016
  714   1HD1  LEU  58          2HD1      LEU  58  18.251  -1.729   0.338
  715   2HD1  LEU  58          1HD1      LEU  58  18.280  -2.172  -1.369
  716   3HD1  LEU  58          3HD1      LEU  58  16.890  -1.315  -0.702
  717   1HD2  LEU  58          1HD2      LEU  58  18.624  -4.234   0.909
  718   2HD2  LEU  58          3HD2      LEU  58  17.542  -5.419   0.178
  719   3HD2  LEU  58          2HD2      LEU  58  18.669  -4.514  -0.832
  720    MD1  LEU  58           QD1      LEU  58  17.807  -1.738  -0.578
  721    MD2  LEU  58           QD2      LEU  58  18.278  -4.722   0.085
  722    QB   LEU  58           QB       LEU  58  16.238  -3.544   1.634
  723    QD   LEU  58           QQD      LEU  58  18.043  -3.230  -0.247
  724    H    GLU  59           H        GLU  59  15.466  -1.418   3.070
  725    HA   GLU  59           HA       GLU  59  13.542  -2.759   4.728
  726   1HB   GLU  59          2HB       GLU  59  14.782  -1.644   6.645
  727   2HB   GLU  59          1HB       GLU  59  15.653  -2.869   5.731
  728   1HG   GLU  59          2HG       GLU  59  16.820  -1.081   4.533
  729   2HG   GLU  59          1HG       GLU  59  15.950   0.116   5.491
  730    QB   GLU  59           QB       GLU  59  15.218  -2.256   6.188
  731    QG   GLU  59           QG       GLU  59  16.385  -0.482   5.012
  732    H    HIS  60           H        HIS  60  11.998  -1.534   3.450
  733    HA   HIS  60           HA       HIS  60  11.242   1.055   4.538
  734   1HB   HIS  60          2HB       HIS  60   9.186   0.711   2.993
  735   2HB   HIS  60          1HB       HIS  60  10.757   0.897   2.230
  736    HD1  HIS  60          1HD       HIS  60  11.316  -0.876   0.489
  737    HD2  HIS  60          2HD       HIS  60   8.390  -2.138   3.164
  738    HE1  HIS  60          1HE       HIS  60  10.569  -3.125  -0.305
  739    QB   HIS  60           QB       HIS  60   9.972   0.804   2.611
  740    H    HIS  61           H        HIS  61  10.555  -2.225   4.940
  741    HA   HIS  61           HA       HIS  61   9.039  -1.798   7.369
  742   1HB   HIS  61          2HB       HIS  61   8.194  -3.738   5.163
  743   2HB   HIS  61          1HB       HIS  61   7.498  -3.682   6.769
  744    HD1  HIS  61          1HD       HIS  61   6.562  -2.896   3.518
  745    HD2  HIS  61          2HD       HIS  61   6.409  -0.779   7.090
  746    HE1  HIS  61          1HE       HIS  61   4.761  -1.157   3.233
  747    QB   HIS  61           QB       HIS  61   7.846  -3.710   5.966
  748    H    HIS  62           H        HIS  62  10.071  -3.116   8.807
  749    HA   HIS  62           HA       HIS  62  11.472  -4.651   9.661
  750   1HB   HIS  62          2HB       HIS  62  10.526  -6.519   8.467
  751   2HB   HIS  62          1HB       HIS  62  11.171  -5.967   6.935
  752    HD1  HIS  62          1HD       HIS  62  11.983  -8.161   9.854
  753    HD2  HIS  62          2HD       HIS  62  13.941  -6.545   6.559
  754    HE1  HIS  62          1HE       HIS  62  14.087  -9.497   9.546
  755    QB   HIS  62           QB       HIS  62  10.849  -6.243   7.701
  756    H    HIS  63           H        HIS  63  13.576  -4.449  10.096
  757    HA   HIS  63           HA       HIS  63  15.151  -2.943   8.132
  758   1HB   HIS  63          2HB       HIS  63  16.381  -1.968  10.058
  759   2HB   HIS  63          1HB       HIS  63  14.667  -1.568  10.076
  760    HD1  HIS  63          1HD       HIS  63  17.123  -3.912  11.845
  761    HD2  HIS  63          2HD       HIS  63  13.358  -2.229  12.347
  762    HE1  HIS  63          1HE       HIS  63  16.384  -4.550  14.143
  763    QB   HIS  63           QB       HIS  63  15.524  -1.768  10.067
  764    H    HIS  64           H        HIS  64  17.457  -3.331   8.131
  765    HA   HIS  64           HA       HIS  64  18.109  -6.055   8.808
  766   1HB   HIS  64          2HB       HIS  64  19.604  -3.989   7.182
  767   2HB   HIS  64          1HB       HIS  64  19.970  -5.701   7.305
  768    HD1  HIS  64          1HD       HIS  64  17.948  -3.271   5.475
  769    HD2  HIS  64          2HD       HIS  64  18.090  -7.386   5.888
  770    HE1  HIS  64          1HE       HIS  64  16.565  -4.216   3.567
  771    QB   HIS  64           QB       HIS  64  19.787  -4.845   7.243

  No H/Q in entry =         771
  Start of MODEL    2
    1    H1   MET   1          2HT       MET   1  12.967  -5.627  -1.228
    2    H2   MET   1          1HT       MET   1  11.561  -6.550  -1.391
    3    H3   MET   1          3HT       MET   1  12.871  -7.155  -0.522
    4    HA   MET   1           HA       MET   1  14.220  -7.222  -2.458
    5   1HB   MET   1          2HB       MET   1  12.765  -9.160  -1.799
    6   2HB   MET   1          1HB       MET   1  11.565  -8.583  -2.944
    7   1HG   MET   1          2HG       MET   1  12.868 -10.389  -3.902
    8   2HG   MET   1          1HG       MET   1  13.136  -8.881  -4.774
    9   1HE   MET   1          2HE       MET   1  14.623 -11.446  -2.178
   10   2HE   MET   1          1HE       MET   1  16.173 -10.703  -1.787
   11   3HE   MET   1          3HE       MET   1  14.674  -9.941  -1.262
   12    QB   MET   1           QB       MET   1  12.165  -8.871  -2.371
   13    QG   MET   1           QG       MET   1  13.002  -9.635  -4.338
   14    ME   MET   1           QE       MET   1  15.157 -10.697  -1.742
   15    H    ASN   2           H        ASN   2  10.789  -6.474  -3.482
   16    HA   ASN   2           HA       ASN   2  11.913  -4.733  -5.475
   17   1HB   ASN   2          2HB       ASN   2  10.516  -5.794  -7.276
   18   2HB   ASN   2          1HB       ASN   2  11.888  -6.788  -6.743
   19   1HD2  ASN   2          1HD2      ASN   2  10.936  -8.582  -7.589
   20   2HD2  ASN   2          2HD2      ASN   2   9.555  -9.329  -6.915
   21    QB   ASN   2           QB       ASN   2  11.202  -6.291  -7.009
   22    QD   ASN   2           QD2      ASN   2  10.245  -8.956  -7.252
   23    H    VAL   3           H        VAL   3  10.183  -3.586  -6.686
   24    HA   VAL   3           HA       VAL   3   8.211  -2.598  -4.878
   25    HB   VAL   3           HB       VAL   3   7.427  -1.184  -6.718
   26   1HG1  VAL   3          2HG1      VAL   3  10.433  -1.283  -6.543
   27   2HG1  VAL   3          1HG1      VAL   3   9.486   0.075  -7.161
   28   3HG1  VAL   3          3HG1      VAL   3   9.341  -0.407  -5.474
   29   1HG2  VAL   3          1HG2      VAL   3   7.662  -2.838  -8.561
   30   2HG2  VAL   3          3HG2      VAL   3   8.394  -1.281  -8.966
   31   3HG2  VAL   3          2HG2      VAL   3   9.407  -2.644  -8.484
   32    MG1  VAL   3           QG1      VAL   3   9.753  -0.538  -6.392
   33    MG2  VAL   3           QG2      VAL   3   8.488  -2.254  -8.670
   34    QG   VAL   3           QQG      VAL   3   9.121  -1.396  -7.531
   35    H    THR   4           H        THR   4   8.304  -4.981  -7.352
   36    HA   THR   4           HA       THR   4   5.702  -5.125  -8.201
   37    HB   THR   4           HB       THR   4   7.759  -7.292  -7.878
   38    HG1  THR   4          1HG       THR   4   7.209  -5.400  -9.926
   39   1HG2  THR   4          2HG2      THR   4   5.557  -8.111  -8.276
   40   2HG2  THR   4          1HG2      THR   4   5.393  -7.017  -9.675
   41   3HG2  THR   4          3HG2      THR   4   6.576  -8.347  -9.713
   42    MG   THR   4           QG2      THR   4   5.842  -7.825  -9.221
   43    H    LYS   5           H        LYS   5   7.283  -7.096  -5.689
   44    HA   LYS   5           HA       LYS   5   4.913  -8.434  -4.964
   45   1HB   LYS   5          2HB       LYS   5   7.669  -8.221  -4.063
   46   2HB   LYS   5          1HB       LYS   5   6.539  -9.046  -2.937
   47   1HG   LYS   5          2HG       LYS   5   6.067 -10.536  -4.961
   48   2HG   LYS   5          1HG       LYS   5   7.437  -9.736  -5.739
   49   1HD   LYS   5          2HD       LYS   5   8.866 -10.443  -3.855
   50   2HD   LYS   5          1HD       LYS   5   7.492 -11.300  -3.165
   51   1HE   LYS   5          2HE       LYS   5   7.354 -12.660  -5.233
   52   2HE   LYS   5          1HE       LYS   5   8.796 -11.842  -5.820
   53   1HZ   LYS   5          3HZ       LYS   5   9.969 -12.710  -3.808
   54   2HZ   LYS   5          2HZ       LYS   5   8.586 -13.627  -3.467
   55   3HZ   LYS   5          1HZ       LYS   5   9.433 -13.903  -4.871
   56    QB   LYS   5           QB       LYS   5   7.104  -8.634  -3.500
   57    QD   LYS   5           QD       LYS   5   8.179 -10.872  -3.510
   58    QG   LYS   5           QG       LYS   5   6.752 -10.136  -5.350
   59    QE   LYS   5           QE       LYS   5   8.075 -12.251  -5.527
   60    QZ   LYS   5           QZ       LYS   5   9.329 -13.413  -4.049
   61    H    LEU   6           H        LEU   6   6.451  -5.541  -3.916
   62    HA   LEU   6           HA       LEU   6   5.010  -5.192  -1.495
   63   1HB   LEU   6          2HB       LEU   6   7.113  -3.985  -2.060
   64   2HB   LEU   6          1HB       LEU   6   6.235  -3.160  -3.338
   65    HG   LEU   6           HG       LEU   6   4.888  -1.964  -1.716
   66   1HD1  LEU   6          2HD1      LEU   6   6.441  -3.498   0.364
   67   2HD1  LEU   6          1HD1      LEU   6   5.339  -2.157   0.683
   68   3HD1  LEU   6          3HD1      LEU   6   4.719  -3.663   0.013
   69   1HD2  LEU   6          2HD2      LEU   6   7.055  -1.026  -2.361
   70   2HD2  LEU   6          1HD2      LEU   6   6.642  -0.609  -0.696
   71   3HD2  LEU   6          3HD2      LEU   6   7.818  -1.881  -1.022
   72    MD1  LEU   6           QD1      LEU   6   5.500  -3.106   0.353
   73    MD2  LEU   6           QD2      LEU   6   7.172  -1.172  -1.360
   74    QB   LEU   6           QB       LEU   6   6.674  -3.573  -2.699
   75    QD   LEU   6           QQD      LEU   6   6.336  -2.139  -0.503
   76    H    ASN   7           H        ASN   7   4.622  -4.025  -4.815
   77    HA   ASN   7           HA       ASN   7   2.256  -2.583  -4.522
   78   1HB   ASN   7          2HB       ASN   7   3.712  -2.506  -6.541
   79   2HB   ASN   7          1HB       ASN   7   3.198  -4.132  -6.952
   80   1HD2  ASN   7          1HD2      ASN   7   1.122  -4.446  -7.865
   81   2HD2  ASN   7          2HD2      ASN   7   0.163  -3.126  -8.381
   82    QB   ASN   7           QB       ASN   7   3.455  -3.319  -6.746
   83    QD   ASN   7           QD2      ASN   7   0.643  -3.786  -8.123
   84    H    ASP   8           H        ASP   8   2.884  -5.962  -5.075
   85    HA   ASP   8           HA       ASP   8   0.293  -6.878  -5.535
   86   1HB   ASP   8          2HB       ASP   8   2.210  -8.306  -5.914
   87   2HB   ASP   8          1HB       ASP   8   2.615  -8.277  -4.204
   88    QB   ASP   8           QB       ASP   8   2.412  -8.292  -5.059
   89    H    ARG   9           H        ARG   9   1.896  -6.068  -2.488
   90    HA   ARG   9           HA       ARG   9  -0.148  -7.103  -0.781
   91   1HB   ARG   9          2HB       ARG   9   1.693  -4.748  -0.305
   92   2HB   ARG   9          1HB       ARG   9   0.641  -5.442   0.908
   93   1HG   ARG   9          2HG       ARG   9   1.935  -7.579   0.646
   94   2HG   ARG   9          1HG       ARG   9   3.070  -6.669  -0.363
   95   1HD   ARG   9          2HD       ARG   9   3.853  -6.741   1.953
   96   2HD   ARG   9          1HD       ARG   9   3.435  -5.091   1.486
   97    HE   ARG   9           HE       ARG   9   1.391  -6.671   2.835
   98   1HH1  ARG   9          1HH1      ARG   9   3.779  -4.030   3.159
   99   2HH1  ARG   9          2HH1      ARG   9   3.082  -3.473   4.610
  100   1HH2  ARG   9          1HH2      ARG   9   0.530  -5.843   4.800
  101   2HH2  ARG   9          2HH2      ARG   9   1.245  -4.480   5.538
  102    QB   ARG   9           QB       ARG   9   1.167  -5.095   0.302
  103    QG   ARG   9           QG       ARG   9   2.503  -7.124   0.141
  104    QD   ARG   9           QD       ARG   9   3.644  -5.916   1.719
  105    QH1  ARG   9           QH1      ARG   9   3.430  -3.752   3.884
  106    QH2  ARG   9           QH2      ARG   9   0.887  -5.161   5.169
  107    H    ILE  10           H        ILE  10   0.395  -4.018  -2.351
  108    HA   ILE  10           HA       ILE  10  -1.803  -2.605  -1.359
  109    HB   ILE  10           HB       ILE  10  -0.237  -2.357  -3.937
  110   1HG1  ILE  10          2HG1      ILE  10   0.406  -0.144  -3.039
  111   2HG1  ILE  10          1HG1      ILE  10  -0.563  -0.461  -1.610
  112   1HG2  ILE  10          2HG2      ILE  10  -2.487  -1.712  -4.594
  113   2HG2  ILE  10          1HG2      ILE  10  -2.575  -0.584  -3.248
  114   3HG2  ILE  10          3HG2      ILE  10  -1.428  -0.308  -4.554
  115   1HD1  ILE  10          3HD1      ILE  10   1.891  -1.977  -2.477
  116   2HD1  ILE  10          2HD1      ILE  10   1.808  -0.777  -1.187
  117   3HD1  ILE  10          1HD1      ILE  10   0.942  -2.305  -1.029
  118    MG   ILE  10           QG2      ILE  10  -2.163  -0.868  -4.132
  119    MD   ILE  10           QD1      ILE  10   1.547  -1.686  -1.564
  120    QG   ILE  10           QG1      ILE  10  -0.079  -0.303  -2.325
  121    H    GLU  11           H        GLU  11  -1.494  -4.604  -4.240
  122    HA   GLU  11           HA       GLU  11  -4.122  -4.199  -5.121
  123   1HB   GLU  11          2HB       GLU  11  -2.243  -6.435  -5.766
  124   2HB   GLU  11          1HB       GLU  11  -3.741  -6.092  -6.630
  125   1HG   GLU  11          2HG       GLU  11  -2.853  -3.845  -7.155
  126   2HG   GLU  11          1HG       GLU  11  -1.332  -4.316  -6.406
  127    QB   GLU  11           QB       GLU  11  -2.992  -6.264  -6.198
  128    QG   GLU  11           QG       GLU  11  -2.093  -4.081  -6.781
  129    H    ALA  12           H        ALA  12  -2.846  -6.520  -2.864
  130    HA   ALA  12           HA       ALA  12  -5.132  -8.198  -2.808
  131   1HB   ALA  12          2HB       ALA  12  -3.008  -8.876  -1.816
  132   2HB   ALA  12          3HB       ALA  12  -4.302  -8.945  -0.617
  133   3HB   ALA  12          1HB       ALA  12  -3.153  -7.605  -0.600
  134    MB   ALA  12           QB       ALA  12  -3.488  -8.475  -1.011
  135    H    LYS  13           H        LYS  13  -4.317  -5.170  -1.287
  136    HA   LYS  13           HA       LYS  13  -6.568  -5.150   0.485
  137   1HB   LYS  13          2HB       LYS  13  -4.693  -2.948  -0.387
  138   2HB   LYS  13          1HB       LYS  13  -5.858  -2.824   0.933
  139   1HG   LYS  13          2HG       LYS  13  -4.637  -4.511   2.183
  140   2HG   LYS  13          1HG       LYS  13  -3.536  -4.746   0.828
  141   1HD   LYS  13          2HD       LYS  13  -2.464  -3.349   2.493
  142   2HD   LYS  13          1HD       LYS  13  -2.804  -2.400   1.051
  143   1HE   LYS  13          2HE       LYS  13  -3.319  -1.140   3.085
  144   2HE   LYS  13          1HE       LYS  13  -4.767  -1.436   2.132
  145   1HZ   LYS  13          2HZ       LYS  13  -3.967  -3.054   4.492
  146   2HZ   LYS  13          1HZ       LYS  13  -5.044  -1.765   4.532
  147   3HZ   LYS  13          3HZ       LYS  13  -5.424  -3.147   3.653
  148    QB   LYS  13           QB       LYS  13  -5.276  -2.886   0.273
  149    QD   LYS  13           QD       LYS  13  -2.634  -2.874   1.772
  150    QG   LYS  13           QG       LYS  13  -4.086  -4.628   1.505
  151    QE   LYS  13           QE       LYS  13  -4.043  -1.288   2.608
  152    QZ   LYS  13           QZ       LYS  13  -4.812  -2.655   4.226
  153    H    LYS  14           H        LYS  14  -5.724  -4.022  -2.675
  154    HA   LYS  14           HA       LYS  14  -7.942  -2.380  -3.245
  155   1HB   LYS  14          2HB       LYS  14  -6.372  -4.129  -5.153
  156   2HB   LYS  14          1HB       LYS  14  -7.437  -2.819  -5.622
  157   1HG   LYS  14          2HG       LYS  14  -4.940  -2.496  -3.965
  158   2HG   LYS  14          1HG       LYS  14  -5.033  -2.231  -5.705
  159   1HD   LYS  14          2HD       LYS  14  -6.724  -0.785  -3.697
  160   2HD   LYS  14          1HD       LYS  14  -5.163  -0.191  -4.255
  161   1HE   LYS  14          2HE       LYS  14  -5.921  -0.136  -6.528
  162   2HE   LYS  14          1HE       LYS  14  -7.482  -0.831  -6.097
  163   1HZ   LYS  14          2HZ       LYS  14  -6.468   1.827  -5.216
  164   2HZ   LYS  14          1HZ       LYS  14  -7.593   1.536  -6.438
  165   3HZ   LYS  14          3HZ       LYS  14  -7.984   1.158  -4.857
  166    QB   LYS  14           QB       LYS  14  -6.905  -3.474  -5.388
  167    QD   LYS  14           QD       LYS  14  -5.943  -0.488  -3.976
  168    QG   LYS  14           QG       LYS  14  -4.987  -2.364  -4.835
  169    QE   LYS  14           QE       LYS  14  -6.702  -0.483  -6.313
  170    QZ   LYS  14           QZ       LYS  14  -7.348   1.507  -5.503
  171    H    LYS  15           H        LYS  15  -7.442  -5.851  -3.498
  172    HA   LYS  15           HA       LYS  15  -9.892  -6.479  -4.777
  173   1HB   LYS  15          2HB       LYS  15  -8.290  -8.224  -2.880
  174   2HB   LYS  15          1HB       LYS  15  -9.507  -8.784  -4.012
  175   1HG   LYS  15          2HG       LYS  15  -6.877  -7.510  -4.754
  176   2HG   LYS  15          1HG       LYS  15  -7.233  -9.234  -4.792
  177   1HD   LYS  15          2HD       LYS  15  -8.887  -8.897  -6.518
  178   2HD   LYS  15          1HD       LYS  15  -8.692  -7.147  -6.416
  179   1HE   LYS  15          2HE       LYS  15  -7.497  -8.099  -8.349
  180   2HE   LYS  15          1HE       LYS  15  -6.401  -7.321  -7.213
  181   1HZ   LYS  15          1HZ       LYS  15  -6.891 -10.248  -7.361
  182   2HZ   LYS  15          3HZ       LYS  15  -5.601  -9.454  -8.081
  183   3HZ   LYS  15          2HZ       LYS  15  -5.707  -9.465  -6.421
  184    QB   LYS  15           QB       LYS  15  -8.898  -8.504  -3.446
  185    QD   LYS  15           QD       LYS  15  -8.789  -8.022  -6.467
  186    QG   LYS  15           QG       LYS  15  -7.055  -8.372  -4.773
  187    QE   LYS  15           QE       LYS  15  -6.949  -7.710  -7.781
  188    QZ   LYS  15           QZ       LYS  15  -6.067  -9.723  -7.288
  189    H    GLU  16           H        GLU  16  -8.988  -5.865  -1.494
  190    HA   GLU  16           HA       GLU  16 -11.374  -6.922  -0.286
  191   1HB   GLU  16          2HB       GLU  16  -9.095  -6.603   0.838
  192   2HB   GLU  16          1HB       GLU  16  -9.465  -4.887   0.877
  193   1HG   GLU  16          2HG       GLU  16  -9.976  -5.839   3.011
  194   2HG   GLU  16          1HG       GLU  16 -11.487  -5.402   2.211
  195    QB   GLU  16           QB       GLU  16  -9.280  -5.745   0.858
  196    QG   GLU  16           QG       GLU  16 -10.731  -5.620   2.611
  197    H    LEU  17           H        LEU  17 -10.053  -3.806  -1.170
  198    HA   LEU  17           HA       LEU  17 -12.121  -2.142  -0.458
  199   1HB   LEU  17          2HB       LEU  17  -9.964  -2.040  -2.439
  200   2HB   LEU  17          1HB       LEU  17 -11.253  -0.884  -2.633
  201    HG   LEU  17           HG       LEU  17  -9.470  -1.194  -0.205
  202   1HD1  LEU  17          3HD1      LEU  17  -8.350  -0.231  -2.157
  203   2HD1  LEU  17          2HD1      LEU  17  -9.646   0.956  -2.311
  204   3HD1  LEU  17          1HD1      LEU  17  -8.596   0.980  -0.896
  205   1HD2  LEU  17          3HD2      LEU  17 -11.683   0.775  -0.806
  206   2HD2  LEU  17          2HD2      LEU  17 -11.697  -0.453   0.455
  207   3HD2  LEU  17          1HD2      LEU  17 -10.564   0.890   0.554
  208    MD1  LEU  17           QD1      LEU  17  -8.864   0.568  -1.788
  209    MD2  LEU  17           QD2      LEU  17 -11.314   0.404   0.067
  210    QB   LEU  17           QB       LEU  17 -10.608  -1.462  -2.536
  211    QD   LEU  17           QQD      LEU  17 -10.089   0.486  -0.860
  212    H    ILE  18           H        ILE  18 -11.669  -3.894  -3.485
  213    HA   ILE  18           HA       ILE  18 -13.906  -2.934  -4.825
  214    HB   ILE  18           HB       ILE  18 -12.653  -5.700  -4.978
  215   1HG1  ILE  18          2HG1      ILE  18 -12.339  -3.272  -6.754
  216   2HG1  ILE  18          1HG1      ILE  18 -11.179  -3.792  -5.538
  217   1HG2  ILE  18          1HG2      ILE  18 -14.942  -5.775  -5.855
  218   2HG2  ILE  18          3HG2      ILE  18 -14.593  -4.394  -6.897
  219   3HG2  ILE  18          2HG2      ILE  18 -13.767  -5.929  -7.163
  220   1HD1  ILE  18          3HD1      ILE  18 -10.816  -5.863  -6.801
  221   2HD1  ILE  18          2HD1      ILE  18 -11.974  -5.306  -8.010
  222   3HD1  ILE  18          1HD1      ILE  18 -10.468  -4.425  -7.764
  223    MG   ILE  18           QG2      ILE  18 -14.434  -5.366  -6.639
  224    MD   ILE  18           QD1      ILE  18 -11.086  -5.198  -7.525
  225    QG   ILE  18           QG1      ILE  18 -11.759  -3.532  -6.146
  226    H    TYR  19           H        TYR  19 -13.652  -5.670  -2.608
  227    HA   TYR  19           HA       TYR  19 -16.357  -6.428  -2.641
  228   1HB   TYR  19          2HB       TYR  19 -14.688  -7.916  -1.679
  229   2HB   TYR  19          1HB       TYR  19 -14.259  -6.724  -0.462
  230    HD1  TYR  19          1HD       TYR  19 -16.829  -9.155  -1.524
  231    HD2  TYR  19          2HD       TYR  19 -15.607  -6.462   1.536
  232    HE1  TYR  19          1HE       TYR  19 -18.502 -10.127   0.000
  233    HE2  TYR  19          2HE       TYR  19 -17.273  -7.427   3.063
  234    HH   TYR  19           HH       TYR  19 -18.727 -10.306   2.556
  235    QB   TYR  19           QB       TYR  19 -14.474  -7.320  -1.070
  236    QD   TYR  19           QD       TYR  19 -16.218  -7.808   0.006
  237    QE   TYR  19           QE       TYR  19 -17.887  -8.777   1.532
  238    QR   TYR  19           QR       TYR  19 -17.053  -8.293   0.769
  239    H    LEU  20           H        LEU  20 -14.580  -4.174  -0.598
  240    HA   LEU  20           HA       LEU  20 -16.709  -3.479   1.091
  241   1HB   LEU  20          2HB       LEU  20 -14.303  -1.811   0.360
  242   2HB   LEU  20          1HB       LEU  20 -15.390  -1.508   1.701
  243    HG   LEU  20           HG       LEU  20 -13.536  -3.880   1.426
  244   1HD1  LEU  20          1HD1      LEU  20 -13.467  -1.531   3.257
  245   2HD1  LEU  20          3HD1      LEU  20 -12.391  -2.924   3.307
  246   3HD1  LEU  20          2HD1      LEU  20 -12.368  -1.848   1.908
  247   1HD2  LEU  20          2HD2      LEU  20 -15.413  -3.126   3.656
  248   2HD2  LEU  20          1HD2      LEU  20 -15.583  -4.517   2.589
  249   3HD2  LEU  20          3HD2      LEU  20 -14.222  -4.424   3.705
  250    MD1  LEU  20           QD1      LEU  20 -12.742  -2.101   2.824
  251    MD2  LEU  20           QD2      LEU  20 -15.073  -4.022   3.317
  252    QB   LEU  20           QB       LEU  20 -14.846  -1.659   1.030
  253    QD   LEU  20           QQD      LEU  20 -13.907  -3.062   3.070
  254    H    VAL  21           H        VAL  21 -15.565  -1.940  -1.889
  255    HA   VAL  21           HA       VAL  21 -17.440   0.140  -1.939
  256    HB   VAL  21           HB       VAL  21 -16.133  -1.274  -4.301
  257   1HG1  VAL  21          2HG1      VAL  21 -17.595   1.371  -4.236
  258   2HG1  VAL  21          1HG1      VAL  21 -16.694   0.734  -5.615
  259   3HG1  VAL  21          3HG1      VAL  21 -18.141  -0.096  -5.041
  260   1HG2  VAL  21          3HG2      VAL  21 -15.433   1.300  -2.885
  261   2HG2  VAL  21          2HG2      VAL  21 -14.533  -0.217  -2.798
  262   3HG2  VAL  21          1HG2      VAL  21 -14.624   0.669  -4.321
  263    MG1  VAL  21           QG1      VAL  21 -17.477   0.670  -4.964
  264    MG2  VAL  21           QG2      VAL  21 -14.863   0.584  -3.335
  265    QG   VAL  21           QQG      VAL  21 -16.170   0.627  -4.149
  266    H    GLU  22           H        GLU  22 -17.681  -3.163  -3.161
  267    HA   GLU  22           HA       GLU  22 -20.284  -2.837  -4.220
  268   1HB   GLU  22          2HB       GLU  22 -18.768  -5.292  -3.375
  269   2HB   GLU  22          1HB       GLU  22 -20.364  -5.357  -4.102
  270   1HG   GLU  22          2HG       GLU  22 -19.500  -4.241  -6.098
  271   2HG   GLU  22          1HG       GLU  22 -17.903  -4.176  -5.352
  272    QB   GLU  22           QB       GLU  22 -19.566  -5.325  -3.738
  273    QG   GLU  22           QG       GLU  22 -18.701  -4.209  -5.725
  274    H    LYS  23           H        LYS  23 -19.146  -3.950  -1.012
  275    HA   LYS  23           HA       LYS  23 -21.692  -4.779  -0.194
  276   1HB   LYS  23          2HB       LYS  23 -19.417  -5.696   0.350
  277   2HB   LYS  23          1HB       LYS  23 -19.218  -4.311   1.406
  278   1HG   LYS  23          2HG       LYS  23 -19.838  -6.132   2.653
  279   2HG   LYS  23          1HG       LYS  23 -21.213  -4.996   2.595
  280   1HD   LYS  23          2HD       LYS  23 -22.265  -6.386   0.837
  281   2HD   LYS  23          1HD       LYS  23 -20.900  -7.497   0.903
  282   1HE   LYS  23          2HE       LYS  23 -22.855  -6.952   3.130
  283   2HE   LYS  23          1HE       LYS  23 -22.842  -8.371   2.089
  284   1HZ   LYS  23          3HZ       LYS  23 -20.531  -8.818   2.996
  285   2HZ   LYS  23          2HZ       LYS  23 -20.825  -7.578   4.097
  286   3HZ   LYS  23          1HZ       LYS  23 -21.804  -8.929   4.110
  287    QB   LYS  23           QB       LYS  23 -19.318  -5.003   0.878
  288    QD   LYS  23           QD       LYS  23 -21.583  -6.941   0.870
  289    QG   LYS  23           QG       LYS  23 -20.526  -5.564   2.624
  290    QE   LYS  23           QE       LYS  23 -22.848  -7.662   2.609
  291    QZ   LYS  23           QZ       LYS  23 -21.053  -8.442   3.734
  292    H    TYR  24           H        TYR  24 -19.592  -1.991   0.583
  293    HA   TYR  24           HA       TYR  24 -21.725  -0.934   2.306
  294   1HB   TYR  24          2HB       TYR  24 -18.796  -0.203   2.219
  295   2HB   TYR  24          1HB       TYR  24 -19.982   0.465   3.328
  296    HD1  TYR  24          1HD       TYR  24 -17.841  -2.350   2.570
  297    HD2  TYR  24          2HD       TYR  24 -20.914  -0.944   5.142
  298    HE1  TYR  24          1HE       TYR  24 -17.343  -4.162   4.130
  299    HE2  TYR  24          2HE       TYR  24 -20.423  -2.770   6.728
  300    HH   TYR  24           HH       TYR  24 -17.608  -4.724   6.393
  301    QB   TYR  24           QB       TYR  24 -19.389   0.131   2.774
  302    QD   TYR  24           QD       TYR  24 -19.377  -1.647   3.856
  303    QE   TYR  24           QE       TYR  24 -18.883  -3.466   5.429
  304    QR   TYR  24           QR       TYR  24 -19.130  -2.556   4.643
  305    H    GLY  25           H        GLY  25 -19.625  -0.202  -0.377
  306   1HA   GLY  25          1HA       GLY  25 -21.176   2.264  -0.828
  307   2HA   GLY  25          2HA       GLY  25 -20.615   1.179  -2.106
  308    QA   GLY  25           QA       GLY  25 -20.896   1.721  -1.467
  309    H    PHE  26           H        PHE  26 -19.609   3.150  -2.978
  310    HA   PHE  26           HA       PHE  26 -16.881   3.287  -2.102
  311   1HB   PHE  26          2HB       PHE  26 -16.466   4.877  -3.924
  312   2HB   PHE  26          1HB       PHE  26 -17.358   3.494  -4.524
  313    HD1  PHE  26          1HD       PHE  26 -17.414   7.086  -3.850
  314    HD2  PHE  26          2HD       PHE  26 -19.653   3.782  -5.295
  315    HE1  PHE  26          1HE       PHE  26 -19.051   8.633  -4.836
  316    HE2  PHE  26          2HE       PHE  26 -21.299   5.323  -6.275
  317    HZ   PHE  26           HZ       PHE  26 -20.995   7.747  -6.049
  318    QB   PHE  26           QB       PHE  26 -16.912   4.186  -4.224
  319    QD   PHE  26           QD       PHE  26 -18.533   5.434  -4.572
  320    QE   PHE  26           QE       PHE  26 -20.175   6.978  -5.556
  321    QR   PHE  26           QR       PHE  26 -19.682   6.514  -5.261
  322    H    THR  27           H        THR  27 -19.665   5.341  -1.792
  323    HA   THR  27           HA       THR  27 -18.056   7.199  -0.299
  324    HB   THR  27           HB       THR  27 -19.468   8.327  -1.911
  325    HG1  THR  27          1HG       THR  27 -19.466   9.708  -0.359
  326   1HG2  THR  27          1HG2      THR  27 -21.223   6.644  -2.220
  327   2HG2  THR  27          3HG2      THR  27 -21.863   6.999  -0.613
  328   3HG2  THR  27          2HG2      THR  27 -21.938   8.220  -1.881
  329    MG   THR  27           QG2      THR  27 -21.675   7.287  -1.572
  330    H    HIS  28           H        HIS  28 -17.688   5.577   1.142
  331    HA   HIS  28           HA       HIS  28 -19.576   5.596   3.363
  332   1HB   HIS  28          2HB       HIS  28 -19.769   3.407   2.147
  333   2HB   HIS  28          1HB       HIS  28 -18.048   3.157   2.369
  334    HD1  HIS  28          1HD       HIS  28 -21.322   2.863   4.130
  335    HD2  HIS  28          2HD       HIS  28 -17.279   2.484   5.001
  336    HE1  HIS  28          1HE       HIS  28 -21.190   1.662   6.332
  337    QB   HIS  28           QB       HIS  28 -18.909   3.282   2.258
  338    H    HIS  29           H        HIS  29 -18.513   6.066   5.226
  339    HA   HIS  29           HA       HIS  29 -16.127   7.413   5.025
  340   1HB   HIS  29          2HB       HIS  29 -17.838   7.734   6.808
  341   2HB   HIS  29          1HB       HIS  29 -17.235   6.269   7.577
  342    HD1  HIS  29          1HD       HIS  29 -15.845   6.990   9.559
  343    HD2  HIS  29          2HD       HIS  29 -15.303   9.411   6.240
  344    HE1  HIS  29          1HE       HIS  29 -14.055   8.641  10.184
  345    QB   HIS  29           QB       HIS  29 -17.537   7.002   7.193
  346    H    LYS  30           H        LYS  30 -16.565   4.114   6.253
  347    HA   LYS  30           HA       LYS  30 -13.833   3.857   6.921
  348   1HB   LYS  30          2HB       LYS  30 -15.930   1.736   6.496
  349   2HB   LYS  30          1HB       LYS  30 -14.275   1.370   6.959
  350   1HG   LYS  30          2HG       LYS  30 -16.222   3.043   8.537
  351   2HG   LYS  30          1HG       LYS  30 -15.726   1.389   8.905
  352   1HD   LYS  30          2HD       LYS  30 -13.365   2.218   9.091
  353   2HD   LYS  30          1HD       LYS  30 -13.977   3.857   8.903
  354   1HE   LYS  30          2HE       LYS  30 -13.618   3.397  11.231
  355   2HE   LYS  30          1HE       LYS  30 -15.344   3.559  10.922
  356   1HZ   LYS  30          1HZ       LYS  30 -13.905   0.982  11.127
  357   2HZ   LYS  30          3HZ       LYS  30 -14.760   1.667  12.392
  358   3HZ   LYS  30          2HZ       LYS  30 -15.577   1.167  11.005
  359    QB   LYS  30           QB       LYS  30 -15.103   1.553   6.728
  360    QD   LYS  30           QD       LYS  30 -13.671   3.037   8.997
  361    QG   LYS  30           QG       LYS  30 -15.974   2.216   8.721
  362    QE   LYS  30           QE       LYS  30 -14.481   3.478  11.077
  363    QZ   LYS  30           QZ       LYS  30 -14.747   1.272  11.508
  364    H    VAL  31           H        VAL  31 -15.532   3.261   3.965
  365    HA   VAL  31           HA       VAL  31 -13.391   1.907   2.676
  366    HB   VAL  31           HB       VAL  31 -15.673   3.513   1.447
  367   1HG1  VAL  31          3HG1      VAL  31 -13.832   3.183  -0.140
  368   2HG1  VAL  31          2HG1      VAL  31 -13.867   1.447   0.179
  369   3HG1  VAL  31          1HG1      VAL  31 -15.243   2.225  -0.598
  370   1HG2  VAL  31          3HG2      VAL  31 -16.458   1.673   2.849
  371   2HG2  VAL  31          2HG2      VAL  31 -16.765   1.334   1.142
  372   3HG2  VAL  31          1HG2      VAL  31 -15.419   0.556   1.970
  373    MG1  VAL  31           QG1      VAL  31 -14.314   2.285  -0.186
  374    MG2  VAL  31           QG2      VAL  31 -16.214   1.188   1.987
  375    QG   VAL  31           QQG      VAL  31 -15.264   1.736   0.900
  376    H    ILE  32           H        ILE  32 -14.401   5.254   2.954
  377    HA   ILE  32           HA       ILE  32 -12.435   6.425   1.329
  378    HB   ILE  32           HB       ILE  32 -13.738   7.625   3.802
  379   1HG1  ILE  32          2HG1      ILE  32 -14.579   7.871   0.904
  380   2HG1  ILE  32          1HG1      ILE  32 -15.352   6.801   2.068
  381   1HG2  ILE  32          1HG2      ILE  32 -11.758   8.875   3.067
  382   2HG2  ILE  32          3HG2      ILE  32 -12.413   8.964   1.431
  383   3HG2  ILE  32          2HG2      ILE  32 -13.230   9.798   2.750
  384   1HD1  ILE  32          3HD1      ILE  32 -15.994   8.748   3.407
  385   2HD1  ILE  32          2HD1      ILE  32 -15.231   9.804   2.228
  386   3HD1  ILE  32          1HD1      ILE  32 -16.634   8.834   1.768
  387    MG   ILE  32           QG2      ILE  32 -12.467   9.212   2.416
  388    MD   ILE  32           QD1      ILE  32 -15.953   9.129   2.468
  389    QG   ILE  32           QG1      ILE  32 -14.965   7.336   1.486
  390    H    SER  33           H        SER  33 -12.414   5.629   4.819
  391    HA   SER  33           HA       SER  33  -9.830   6.656   5.229
  392   1HB   SER  33          2HB       SER  33  -9.819   5.330   7.359
  393   2HB   SER  33          1HB       SER  33 -11.247   6.339   7.160
  394    HG   SER  33           HG       SER  33 -11.666   3.839   6.137
  395    QB   SER  33           QB       SER  33 -10.533   5.835   7.260
  396    H    PHE  34           H        PHE  34 -10.890   3.487   4.094
  397    HA   PHE  34           HA       PHE  34  -8.293   2.354   4.235
  398   1HB   PHE  34          2HB       PHE  34 -10.728   1.555   2.652
  399   2HB   PHE  34          1HB       PHE  34  -9.191   0.720   2.479
  400    HD1  PHE  34          1HD       PHE  34 -12.266   0.541   3.988
  401    HD2  PHE  34          2HD       PHE  34  -8.141   0.097   4.909
  402    HE1  PHE  34          1HE       PHE  34 -12.849  -0.921   5.855
  403    HE2  PHE  34          2HE       PHE  34  -8.714  -1.362   6.797
  404    HZ   PHE  34           HZ       PHE  34 -11.074  -1.877   7.282
  405    QB   PHE  34           QB       PHE  34  -9.959   1.138   2.566
  406    QD   PHE  34           QD       PHE  34 -10.203   0.319   4.449
  407    QE   PHE  34           QE       PHE  34 -10.781  -1.142   6.326
  408    QR   PHE  34           QR       PHE  34 -10.609  -0.705   5.766
  409    H    SER  35           H        SER  35  -9.985   4.245   1.846
  410    HA   SER  35           HA       SER  35  -8.199   3.916  -0.281
  411   1HB   SER  35          2HB       SER  35 -10.444   5.045  -0.426
  412   2HB   SER  35          1HB       SER  35  -9.771   6.420   0.438
  413    HG   SER  35           HG       SER  35  -8.510   6.911  -1.273
  414    QB   SER  35           QB       SER  35 -10.107   5.733   0.006
  415    H    GLN  36           H        GLN  36  -8.190   6.122   2.474
  416    HA   GLN  36           HA       GLN  36  -5.865   7.589   1.779
  417   1HB   GLN  36          2HB       GLN  36  -7.019   7.042   4.515
  418   2HB   GLN  36          1HB       GLN  36  -5.863   8.303   4.118
  419   1HG   GLN  36          2HG       GLN  36  -7.525   9.390   2.705
  420   2HG   GLN  36          1HG       GLN  36  -8.676   8.103   3.068
  421   1HE2  GLN  36          1HE2      GLN  36 -10.141   9.472   4.003
  422   2HE2  GLN  36          2HE2      GLN  36  -9.890  10.200   5.543
  423    QB   GLN  36           QB       GLN  36  -6.441   7.673   4.316
  424    QG   GLN  36           QG       GLN  36  -8.101   8.747   2.887
  425    QE   GLN  36           QE2      GLN  36 -10.015   9.836   4.773
  426    H    GLU  37           H        GLU  37  -6.424   4.603   3.485
  427    HA   GLU  37           HA       GLU  37  -3.768   4.291   4.438
  428   1HB   GLU  37          2HB       GLU  37  -5.703   3.137   5.438
  429   2HB   GLU  37          1HB       GLU  37  -5.909   2.214   3.961
  430   1HG   GLU  37          2HG       GLU  37  -3.803   1.125   4.291
  431   2HG   GLU  37          1HG       GLU  37  -3.461   2.125   5.701
  432    QB   GLU  37           QB       GLU  37  -5.806   2.675   4.699
  433    QG   GLU  37           QG       GLU  37  -3.632   1.625   4.996
  434    H    LEU  38           H        LEU  38  -5.535   3.028   1.642
  435    HA   LEU  38           HA       LEU  38  -3.434   1.595   0.469
  436   1HB   LEU  38          2HB       LEU  38  -5.973   2.757  -0.538
  437   2HB   LEU  38          1HB       LEU  38  -4.761   2.362  -1.730
  438    HG   LEU  38           HG       LEU  38  -6.388   0.573  -1.497
  439   1HD1  LEU  38          1HD1      LEU  38  -4.075   0.101  -2.102
  440   2HD1  LEU  38          3HD1      LEU  38  -3.717  -0.290  -0.413
  441   3HD1  LEU  38          2HD1      LEU  38  -4.892  -1.244  -1.328
  442   1HD2  LEU  38          2HD2      LEU  38  -5.414   0.372   1.353
  443   2HD2  LEU  38          1HD2      LEU  38  -7.021   0.865   0.839
  444   3HD2  LEU  38          3HD2      LEU  38  -6.479  -0.789   0.552
  445    MD1  LEU  38           QD1      LEU  38  -4.228  -0.478  -1.281
  446    MD2  LEU  38           QD2      LEU  38  -6.305   0.149   0.915
  447    QB   LEU  38           QB       LEU  38  -5.367   2.560  -1.134
  448    QD   LEU  38           QQD      LEU  38  -5.266  -0.164  -0.183
  449    H    ASP  39           H        ASP  39  -4.234   4.940   0.389
  450    HA   ASP  39           HA       ASP  39  -2.517   5.915  -1.588
  451   1HB   ASP  39          2HB       ASP  39  -4.179   7.307  -0.433
  452   2HB   ASP  39          1HB       ASP  39  -3.293   7.133   1.071
  453    QB   ASP  39           QB       ASP  39  -3.736   7.220   0.319
  454    H    ARG  40           H        ARG  40  -1.975   5.335   1.848
  455    HA   ARG  40           HA       ARG  40   0.739   6.175   1.795
  456   1HB   ARG  40          2HB       ARG  40  -0.661   4.512   3.891
  457   2HB   ARG  40          1HB       ARG  40   0.896   5.302   4.076
  458   1HG   ARG  40          2HG       ARG  40  -1.804   6.605   3.796
  459   2HG   ARG  40          1HG       ARG  40  -0.734   6.632   5.196
  460   1HD   ARG  40          2HD       ARG  40   0.943   7.829   3.726
  461   2HD   ARG  40          1HD       ARG  40  -0.343   7.986   2.530
  462    HE   ARG  40           HE       ARG  40  -0.559   9.043   5.255
  463   1HH1  ARG  40          1HH1      ARG  40  -1.159   9.529   1.744
  464   2HH1  ARG  40          2HH1      ARG  40  -1.569  11.150   1.963
  465   1HH2  ARG  40          1HH2      ARG  40  -1.131  11.265   5.442
  466   2HH2  ARG  40          2HH2      ARG  40  -1.567  12.162   4.055
  467    QB   ARG  40           QB       ARG  40   0.118   4.907   3.984
  468    QG   ARG  40           QG       ARG  40  -1.269   6.618   4.496
  469    QD   ARG  40           QD       ARG  40   0.300   7.907   3.128
  470    QH1  ARG  40           QH1      ARG  40  -1.364  10.340   1.854
  471    QH2  ARG  40           QH2      ARG  40  -1.349  11.714   4.749
  472    H    LEU  41           H        LEU  41  -0.814   3.009   1.734
  473    HA   LEU  41           HA       LEU  41   1.536   1.466   1.697
  474   1HB   LEU  41          2HB       LEU  41  -1.260   0.939   0.760
  475   2HB   LEU  41          1HB       LEU  41   0.008  -0.158   0.278
  476    HG   LEU  41           HG       LEU  41  -1.230  -1.031   2.170
  477   1HD1  LEU  41          2HD1      LEU  41   1.089  -1.626   1.958
  478   2HD1  LEU  41          1HD1      LEU  41   1.556  -0.249   2.956
  479   3HD1  LEU  41          3HD1      LEU  41   0.594  -1.557   3.650
  480   1HD2  LEU  41          2HD2      LEU  41  -0.292   1.410   3.669
  481   2HD2  LEU  41          1HD2      LEU  41  -1.952   1.032   3.222
  482   3HD2  LEU  41          3HD2      LEU  41  -1.103   0.015   4.387
  483    MD1  LEU  41           QD1      LEU  41   1.080  -1.144   2.855
  484    MD2  LEU  41           QD2      LEU  41  -1.115   0.819   3.759
  485    QB   LEU  41           QB       LEU  41  -0.626   0.391   0.519
  486    QD   LEU  41           QQD      LEU  41  -0.018  -0.163   3.307
  487    H    LEU  42           H        LEU  42  -0.329   2.863  -0.972
  488    HA   LEU  42           HA       LEU  42   1.260   1.848  -3.069
  489   1HB   LEU  42          2HB       LEU  42  -0.969   2.768  -3.447
  490   2HB   LEU  42          1HB       LEU  42  -0.425   4.350  -2.931
  491    HG   LEU  42           HG       LEU  42   1.129   4.380  -4.887
  492   1HD1  LEU  42          2HD1      LEU  42  -0.391   1.924  -5.718
  493   2HD1  LEU  42          1HD1      LEU  42   0.703   2.856  -6.744
  494   3HD1  LEU  42          3HD1      LEU  42   1.324   2.030  -5.317
  495   1HD2  LEU  42          1HD2      LEU  42  -1.816   4.124  -5.480
  496   2HD2  LEU  42          3HD2      LEU  42  -0.964   5.573  -4.939
  497   3HD2  LEU  42          2HD2      LEU  42  -0.618   4.895  -6.530
  498    MD1  LEU  42           QD1      LEU  42   0.545   2.270  -5.926
  499    MD2  LEU  42           QD2      LEU  42  -1.133   4.864  -5.650
  500    QB   LEU  42           QB       LEU  42  -0.697   3.559  -3.189
  501    QD   LEU  42           QQD      LEU  42  -0.294   3.567  -5.788
  502    H    ASN  43           H        ASN  43   1.540   4.611  -0.988
  503    HA   ASN  43           HA       ASN  43   3.471   5.921  -2.572
  504   1HB   ASN  43          2HB       ASN  43   2.063   7.041  -0.796
  505   2HB   ASN  43          1HB       ASN  43   3.133   6.308   0.398
  506   1HD2  ASN  43          1HD2      ASN  43   3.980   7.624  -2.765
  507   2HD2  ASN  43          2HD2      ASN  43   5.032   8.849  -2.146
  508    QB   ASN  43           QB       ASN  43   2.598   6.674  -0.199
  509    QD   ASN  43           QD2      ASN  43   4.506   8.236  -2.455
  510    H    LEU  44           H        LEU  44   3.661   3.298  -0.324
  511    HA   LEU  44           HA       LEU  44   6.291   3.509   0.576
  512   1HB   LEU  44          2HB       LEU  44   4.698   1.041  -0.077
  513   2HB   LEU  44          1HB       LEU  44   6.255   1.010   0.723
  514    HG   LEU  44           HG       LEU  44   3.774   2.322   1.847
  515   1HD1  LEU  44          3HD1      LEU  44   5.099  -0.305   2.501
  516   2HD1  LEU  44          2HD1      LEU  44   3.747   0.408   3.373
  517   3HD1  LEU  44          1HD1      LEU  44   3.544  -0.102   1.697
  518   1HD2  LEU  44          2HD2      LEU  44   5.876   3.319   2.638
  519   2HD2  LEU  44          1HD2      LEU  44   5.077   2.405   3.916
  520   3HD2  LEU  44          3HD2      LEU  44   6.463   1.715   3.077
  521    MD1  LEU  44           QD1      LEU  44   4.130   0.000   2.524
  522    MD2  LEU  44           QD2      LEU  44   5.805   2.479   3.210
  523    QB   LEU  44           QB       LEU  44   5.477   1.026   0.323
  524    QD   LEU  44           QQD      LEU  44   4.968   1.240   2.867
  525    H    LEU  45           H        LEU  45   5.082   1.973  -2.379
  526    HA   LEU  45           HA       LEU  45   7.735   1.314  -3.150
  527   1HB   LEU  45          2HB       LEU  45   6.803   0.738  -5.429
  528   2HB   LEU  45          1HB       LEU  45   6.207  -0.200  -4.088
  529    HG   LEU  45           HG       LEU  45   4.575   2.105  -5.134
  530   1HD1  LEU  45          3HD1      LEU  45   4.720  -0.700  -6.258
  531   2HD1  LEU  45          2HD1      LEU  45   3.503   0.502  -6.687
  532   3HD1  LEU  45          1HD1      LEU  45   5.198   0.771  -7.100
  533   1HD2  LEU  45          2HD2      LEU  45   3.907  -0.576  -3.912
  534   2HD2  LEU  45          1HD2      LEU  45   3.857   0.969  -3.068
  535   3HD2  LEU  45          3HD2      LEU  45   2.740   0.648  -4.395
  536    MD1  LEU  45           QD1      LEU  45   4.474   0.191  -6.682
  537    MD2  LEU  45           QD2      LEU  45   3.501   0.347  -3.792
  538    QB   LEU  45           QB       LEU  45   6.505   0.269  -4.758
  539    QD   LEU  45           QQD      LEU  45   3.988   0.269  -5.237
  540    H    ILE  46           H        ILE  46   5.668   4.005  -3.795
  541    HA   ILE  46           HA       ILE  46   7.228   5.167  -5.861
  542    HB   ILE  46           HB       ILE  46   5.484   6.554  -3.789
  543   1HG1  ILE  46          2HG1      ILE  46   4.804   5.674  -6.605
  544   2HG1  ILE  46          1HG1      ILE  46   4.287   4.844  -5.140
  545   1HG2  ILE  46          2HG2      ILE  46   7.011   8.119  -4.874
  546   2HG2  ILE  46          1HG2      ILE  46   6.482   7.559  -6.463
  547   3HG2  ILE  46          3HG2      ILE  46   5.353   8.405  -5.402
  548   1HD1  ILE  46          2HD1      ILE  46   3.012   6.825  -4.487
  549   2HD1  ILE  46          1HD1      ILE  46   3.525   7.642  -5.964
  550   3HD1  ILE  46          3HD1      ILE  46   2.501   6.207  -6.056
  551    MG   ILE  46           QG2      ILE  46   6.282   8.028  -5.580
  552    MD   ILE  46           QD1      ILE  46   3.013   6.891  -5.502
  553    QG   ILE  46           QG1      ILE  46   4.546   5.259  -5.872
  554    H    GLU  47           H        GLU  47   7.161   5.638  -2.375
  555    HA   GLU  47           HA       GLU  47   9.170   7.550  -2.070
  556   1HB   GLU  47          2HB       GLU  47   7.494   6.903  -0.376
  557   2HB   GLU  47          1HB       GLU  47   8.289   5.351  -0.193
  558   1HG   GLU  47          2HG       GLU  47   8.926   6.717   1.631
  559   2HG   GLU  47          1HG       GLU  47  10.318   6.570   0.561
  560    QB   GLU  47           QB       GLU  47   7.892   6.127  -0.284
  561    QG   GLU  47           QG       GLU  47   9.622   6.644   1.096
  562    H    LEU  48           H        LEU  48   9.300   3.991  -1.830
  563    HA   LEU  48           HA       LEU  48  12.056   3.957  -1.290
  564   1HB   LEU  48          2HB       LEU  48  10.533   2.133  -0.614
  565   2HB   LEU  48          1HB       LEU  48  10.298   1.701  -2.287
  566    HG   LEU  48           HG       LEU  48  11.849   0.217  -0.882
  567   1HD1  LEU  48          3HD1      LEU  48  11.781   0.018  -3.305
  568   2HD1  LEU  48          2HD1      LEU  48  12.947   1.330  -3.454
  569   3HD1  LEU  48          1HD1      LEU  48  13.424  -0.190  -2.697
  570   1HD2  LEU  48          2HD2      LEU  48  13.693   2.570  -1.277
  571   2HD2  LEU  48          1HD2      LEU  48  13.097   1.949   0.259
  572   3HD2  LEU  48          3HD2      LEU  48  14.203   0.983  -0.722
  573    MD1  LEU  48           QD1      LEU  48  12.717   0.386  -3.152
  574    MD2  LEU  48           QD2      LEU  48  13.664   1.834  -0.580
  575    QB   LEU  48           QB       LEU  48  10.416   1.917  -1.450
  576    QD   LEU  48           QQD      LEU  48  13.191   1.110  -1.866
  577    H    LYS  49           H        LYS  49  10.250   3.716  -4.302
  578    HA   LYS  49           HA       LYS  49  12.399   2.935  -5.938
  579   1HB   LYS  49          2HB       LYS  49  10.009   2.799  -6.564
  580   2HB   LYS  49          1HB       LYS  49   9.941   4.546  -6.630
  581   1HG   LYS  49          2HG       LYS  49  11.497   4.544  -8.508
  582   2HG   LYS  49          1HG       LYS  49  11.585   2.779  -8.430
  583   1HD   LYS  49          2HD       LYS  49   9.206   2.613  -8.888
  584   2HD   LYS  49          1HD       LYS  49   9.060   4.370  -8.889
  585   1HE   LYS  49          2HE       LYS  49  10.563   4.481 -10.813
  586   2HE   LYS  49          1HE       LYS  49  10.688   2.720 -10.814
  587   1HZ   LYS  49          1HZ       LYS  49   8.192   4.278 -11.241
  588   2HZ   LYS  49          3HZ       LYS  49   9.081   3.493 -12.442
  589   3HZ   LYS  49          2HZ       LYS  49   8.311   2.599 -11.249
  590    QB   LYS  49           QB       LYS  49   9.975   3.672  -6.597
  591    QD   LYS  49           QD       LYS  49   9.133   3.492  -8.889
  592    QG   LYS  49           QG       LYS  49  11.541   3.661  -8.469
  593    QE   LYS  49           QE       LYS  49  10.626   3.601 -10.813
  594    QZ   LYS  49           QZ       LYS  49   8.528   3.457 -11.644
  595    H    THR  50           H        THR  50  11.385   6.011  -4.693
  596    HA   THR  50           HA       THR  50  12.968   7.595  -6.451
  597    HB   THR  50           HB       THR  50  11.729   8.356  -3.789
  598    HG1  THR  50          1HG       THR  50  10.084   7.671  -5.072
  599   1HG2  THR  50          2HG2      THR  50  12.530  10.047  -6.179
  600   2HG2  THR  50          1HG2      THR  50  11.741  10.639  -4.719
  601   3HG2  THR  50          3HG2      THR  50  13.381   9.997  -4.633
  602    MG   THR  50           QG2      THR  50  12.551  10.228  -5.177
  603    H    LYS  51           H        LYS  51  13.435   6.236  -3.192
  604    HA   LYS  51           HA       LYS  51  15.958   7.545  -2.865
  605   1HB   LYS  51          2HB       LYS  51  14.586   5.368  -1.284
  606   2HB   LYS  51          1HB       LYS  51  16.173   5.983  -0.879
  607   1HG   LYS  51          2HG       LYS  51  15.176   8.229  -0.555
  608   2HG   LYS  51          1HG       LYS  51  13.585   7.522  -0.871
  609   1HD   LYS  51          2HD       LYS  51  13.792   6.065   1.036
  610   2HD   LYS  51          1HD       LYS  51  15.454   6.578   1.299
  611   1HE   LYS  51          2HE       LYS  51  13.973   7.657   2.896
  612   2HE   LYS  51          1HE       LYS  51  14.675   8.844   1.807
  613   1HZ   LYS  51          1HZ       LYS  51  11.943   7.701   1.586
  614   2HZ   LYS  51          3HZ       LYS  51  12.305   9.220   2.194
  615   3HZ   LYS  51          2HZ       LYS  51  12.569   8.905   0.577
  616    QB   LYS  51           QB       LYS  51  15.379   5.675  -1.082
  617    QD   LYS  51           QD       LYS  51  14.623   6.321   1.168
  618    QG   LYS  51           QG       LYS  51  14.381   7.875  -0.713
  619    QE   LYS  51           QE       LYS  51  14.324   8.250   2.352
  620    QZ   LYS  51           QZ       LYS  51  12.272   8.609   1.452
  621    H    LYS  52           H        LYS  52  14.836   4.235  -3.394
  622    HA   LYS  52           HA       LYS  52  15.764   2.283  -3.905
  623   1HB   LYS  52          2HB       LYS  52  16.828   2.137  -6.087
  624   2HB   LYS  52          1HB       LYS  52  15.492   3.269  -6.131
  625   1HG   LYS  52          2HG       LYS  52  17.043   5.131  -6.089
  626   2HG   LYS  52          1HG       LYS  52  18.399   4.013  -5.941
  627   1HD   LYS  52          2HD       LYS  52  17.808   3.031  -8.093
  628   2HD   LYS  52          1HD       LYS  52  16.480   4.181  -8.260
  629   1HE   LYS  52          2HE       LYS  52  18.086   6.043  -8.150
  630   2HE   LYS  52          1HE       LYS  52  19.405   4.887  -8.019
  631   1HZ   LYS  52          2HZ       LYS  52  18.837   4.058 -10.224
  632   2HZ   LYS  52          1HZ       LYS  52  17.572   5.164 -10.333
  633   3HZ   LYS  52          3HZ       LYS  52  19.163   5.707 -10.263
  634    QB   LYS  52           QB       LYS  52  16.160   2.703  -6.109
  635    QD   LYS  52           QD       LYS  52  17.144   3.606  -8.176
  636    QG   LYS  52           QG       LYS  52  17.721   4.572  -6.015
  637    QE   LYS  52           QE       LYS  52  18.746   5.465  -8.085
  638    QZ   LYS  52           QZ       LYS  52  18.524   4.976 -10.273
  639    H    LYS  53           H        LYS  53  17.457   3.986  -2.124
  640    HA   LYS  53           HA       LYS  53  20.020   2.614  -2.518
  641   1HB   LYS  53          2HB       LYS  53  20.985   4.453  -1.194
  642   2HB   LYS  53          1HB       LYS  53  20.182   5.029  -2.648
  643   1HG   LYS  53          2HG       LYS  53  18.219   5.656  -1.307
  644   2HG   LYS  53          1HG       LYS  53  19.053   5.124   0.154
  645   1HD   LYS  53          2HD       LYS  53  20.859   6.780  -0.368
  646   2HD   LYS  53          1HD       LYS  53  19.859   7.367  -1.697
  647   1HE   LYS  53          2HE       LYS  53  18.043   7.793  -0.033
  648   2HE   LYS  53          1HE       LYS  53  19.195   7.366   1.224
  649   1HZ   LYS  53          1HZ       LYS  53  20.612   9.208   0.485
  650   2HZ   LYS  53          3HZ       LYS  53  19.455   9.655  -0.662
  651   3HZ   LYS  53          2HZ       LYS  53  19.102   9.725   0.979
  652    QB   LYS  53           QB       LYS  53  20.583   4.741  -1.921
  653    QD   LYS  53           QD       LYS  53  20.359   7.073  -1.032
  654    QG   LYS  53           QG       LYS  53  18.636   5.390  -0.576
  655    QE   LYS  53           QE       LYS  53  18.619   7.579   0.595
  656    QZ   LYS  53           QZ       LYS  53  19.723   9.529   0.268
  657    H    ARG  54           H        ARG  54  17.361   2.015  -0.946
  658    HA   ARG  54           HA       ARG  54  18.645   1.651   1.657
  659   1HB   ARG  54          2HB       ARG  54  15.702   1.320   1.072
  660   2HB   ARG  54          1HB       ARG  54  16.469   1.275   2.644
  661   1HG   ARG  54          2HG       ARG  54  17.206   3.688   2.063
  662   2HG   ARG  54          1HG       ARG  54  15.899   3.606   0.880
  663   1HD   ARG  54          2HD       ARG  54  15.710   3.282   3.870
  664   2HD   ARG  54          1HD       ARG  54  14.998   4.550   2.876
  665    HE   ARG  54           HE       ARG  54  13.939   2.097   2.046
  666   1HH1  ARG  54          1HH1      ARG  54  13.872   4.196   4.913
  667   2HH1  ARG  54          2HH1      ARG  54  12.375   3.614   5.459
  668   1HH2  ARG  54          1HH2      ARG  54  11.820   1.309   2.834
  669   2HH2  ARG  54          2HH2      ARG  54  11.197   1.976   4.250
  670    QB   ARG  54           QB       ARG  54  16.085   1.297   1.858
  671    QG   ARG  54           QG       ARG  54  16.553   3.647   1.471
  672    QD   ARG  54           QD       ARG  54  15.354   3.916   3.373
  673    QH1  ARG  54           QH1      ARG  54  13.124   3.905   5.186
  674    QH2  ARG  54           QH2      ARG  54  11.509   1.643   3.542
  675    H    TYR  55           H        TYR  55  18.235  -0.317   2.779
  676    HA   TYR  55           HA       TYR  55  18.892  -2.603   1.342
  677   1HB   TYR  55          2HB       TYR  55  18.709  -3.790   3.453
  678   2HB   TYR  55          1HB       TYR  55  19.497  -2.240   3.684
  679    HD1  TYR  55          1HD       TYR  55  17.058  -4.419   4.931
  680    HD2  TYR  55          2HD       TYR  55  17.837  -0.267   4.467
  681    HE1  TYR  55          1HE       TYR  55  15.447  -3.914   6.719
  682    HE2  TYR  55          2HE       TYR  55  16.234   0.241   6.237
  683    HH   TYR  55           HH       TYR  55  14.940  -2.184   8.276
  684    QB   TYR  55           QB       TYR  55  19.103  -3.015   3.568
  685    QD   TYR  55           QD       TYR  55  17.448  -2.343   4.699
  686    QE   TYR  55           QE       TYR  55  15.840  -1.837   6.478
  687    QR   TYR  55           QR       TYR  55  16.644  -2.090   5.589
  688    H    SER  56           H        SER  56  15.891  -1.194   1.452
  689    HA   SER  56           HA       SER  56  14.091  -3.320   1.702
  690   1HB   SER  56          2HB       SER  56  13.805  -0.841   0.030
  691   2HB   SER  56          1HB       SER  56  12.514  -1.793   0.770
  692    HG   SER  56           HG       SER  56  13.420  -1.313   2.788
  693    QB   SER  56           QB       SER  56  13.160  -1.317   0.400
  694    H    LEU  57           H        LEU  57  16.316  -2.594  -0.791
  695    HA   LEU  57           HA       LEU  57  14.872  -3.945  -2.889
  696   1HB   LEU  57          2HB       LEU  57  17.780  -3.121  -2.706
  697   2HB   LEU  57          1HB       LEU  57  17.044  -3.827  -4.126
  698    HG   LEU  57           HG       LEU  57  16.342  -1.144  -2.922
  699   1HD1  LEU  57          3HD1      LEU  57  17.800  -1.873  -5.451
  700   2HD1  LEU  57          2HD1      LEU  57  17.342  -0.241  -4.978
  701   3HD1  LEU  57          1HD1      LEU  57  18.511  -1.142  -4.013
  702   1HD2  LEU  57          2HD2      LEU  57  15.320  -2.498  -5.422
  703   2HD2  LEU  57          1HD2      LEU  57  14.383  -2.169  -3.965
  704   3HD2  LEU  57          3HD2      LEU  57  14.985  -0.832  -4.951
  705    MD1  LEU  57           QD1      LEU  57  17.884  -1.085  -4.814
  706    MD2  LEU  57           QD2      LEU  57  14.896  -1.833  -4.779
  707    QB   LEU  57           QB       LEU  57  17.412  -3.474  -3.416
  708    QD   LEU  57           QQD      LEU  57  16.390  -1.459  -4.796
  709    H    LEU  58           H        LEU  58  16.636  -4.813  -0.199
  710    HA   LEU  58           HA       LEU  58  17.018  -7.534  -1.194
  711   1HB   LEU  58          2HB       LEU  58  18.159  -6.260   1.325
  712   2HB   LEU  58          1HB       LEU  58  18.432  -7.900   0.811
  713    HG   LEU  58           HG       LEU  58  19.709  -6.962  -1.161
  714   1HD1  LEU  58          2HD1      LEU  58  19.481  -4.401   0.412
  715   2HD1  LEU  58          1HD1      LEU  58  20.537  -4.663  -0.981
  716   3HD1  LEU  58          3HD1      LEU  58  18.782  -4.704  -1.178
  717   1HD2  LEU  58          3HD2      LEU  58  20.817  -7.858   0.804
  718   2HD2  LEU  58          2HD2      LEU  58  21.701  -6.467   0.167
  719   3HD2  LEU  58          1HD2      LEU  58  20.690  -6.289   1.602
  720    MD1  LEU  58           QD1      LEU  58  19.600  -4.589  -0.582
  721    MD2  LEU  58           QD2      LEU  58  21.069  -6.871   0.858
  722    QB   LEU  58           QB       LEU  58  18.295  -7.080   1.068
  723    QD   LEU  58           QQD      LEU  58  20.335  -5.730   0.138
  724    H    GLU  59           H        GLU  59  16.544  -6.135   1.974
  725    HA   GLU  59           HA       GLU  59  15.596  -7.079   3.771
  726   1HB   GLU  59          2HB       GLU  59  13.382  -6.006   2.108
  727   2HB   GLU  59          1HB       GLU  59  13.040  -6.705   3.691
  728   1HG   GLU  59          2HG       GLU  59  14.692  -5.135   4.661
  729   2HG   GLU  59          1HG       GLU  59  14.876  -4.389   3.089
  730    QB   GLU  59           QB       GLU  59  13.211  -6.356   2.899
  731    QG   GLU  59           QG       GLU  59  14.784  -4.762   3.875
  732    H    HIS  60           H        HIS  60  13.113  -8.309   1.794
  733    HA   HIS  60           HA       HIS  60  13.766 -11.018   2.673
  734   1HB   HIS  60          2HB       HIS  60  12.213  -9.844   4.340
  735   2HB   HIS  60          1HB       HIS  60  11.013  -9.823   3.060
  736    HD1  HIS  60          1HD       HIS  60   9.391 -11.665   3.348
  737    HD2  HIS  60          2HD       HIS  60  13.178 -12.675   4.674
  738    HE1  HIS  60          1HE       HIS  60   9.204 -14.001   4.282
  739    QB   HIS  60           QB       HIS  60  11.613  -9.834   3.700
  740    H    HIS  61           H        HIS  61  12.748 -12.595   1.265
  741    HA   HIS  61           HA       HIS  61  12.435 -11.588  -1.375
  742   1HB   HIS  61          2HB       HIS  61  12.053 -14.390  -0.293
  743   2HB   HIS  61          1HB       HIS  61  11.870 -13.979  -1.992
  744    HD1  HIS  61          1HD       HIS  61  13.966 -14.229  -3.361
  745    HD2  HIS  61          2HD       HIS  61  14.746 -13.731   0.685
  746    HE1  HIS  61          1HE       HIS  61  16.446 -14.488  -3.102
  747    QB   HIS  61           QB       HIS  61  11.962 -14.184  -1.142
  748    H    HIS  62           H        HIS  62  10.169 -12.928   0.959
  749    HA   HIS  62           HA       HIS  62   7.968 -12.128  -0.777
  750   1HB   HIS  62          2HB       HIS  62   7.785 -14.323   0.338
  751   2HB   HIS  62          1HB       HIS  62   7.953 -13.547   1.907
  752    HD1  HIS  62          1HD       HIS  62   5.778 -12.903   3.033
  753    HD2  HIS  62          2HD       HIS  62   5.358 -13.502  -1.054
  754    HE1  HIS  62          1HE       HIS  62   3.323 -12.685   2.540
  755    QB   HIS  62           QB       HIS  62   7.869 -13.935   1.122
  756    H    HIS  63           H        HIS  63   6.970 -10.253  -0.521
  757    HA   HIS  63           HA       HIS  63   7.716  -8.550   1.675
  758   1HB   HIS  63          2HB       HIS  63   6.050  -8.081  -0.783
  759   2HB   HIS  63          1HB       HIS  63   6.065  -6.915   0.534
  760    HD1  HIS  63          1HD       HIS  63   7.846  -5.163   0.364
  761    HD2  HIS  63          2HD       HIS  63   8.779  -8.571  -1.826
  762    HE1  HIS  63          1HE       HIS  63   9.925  -4.616  -0.903
  763    QB   HIS  63           QB       HIS  63   6.058  -7.498  -0.124
  764    H    HIS  64           H        HIS  64   6.877  -9.147   3.494
  765    HA   HIS  64           HA       HIS  64   3.971  -9.260   3.738
  766   1HB   HIS  64          2HB       HIS  64   4.821 -11.507   4.091
  767   2HB   HIS  64          1HB       HIS  64   6.083 -10.906   5.155
  768    HD1  HIS  64          1HD       HIS  64   2.264 -11.207   5.125
  769    HD2  HIS  64          2HD       HIS  64   5.458 -10.976   7.761
  770    HE1  HIS  64          1HE       HIS  64   1.310 -11.573   7.431
  771    QB   HIS  64           QB       HIS  64   5.452 -11.206   4.623

  No H/Q in entry =         771
  Start of MODEL    3
    1    H1   MET   1          2HT       MET   1  13.073  -7.832   2.394
    2    H2   MET   1          1HT       MET   1  12.094  -8.108   3.763
    3    H3   MET   1          3HT       MET   1  11.994  -9.103   2.400
    4    HA   MET   1           HA       MET   1  10.141  -7.613   2.437
    5   1HB   MET   1          2HB       MET   1  11.217  -5.782   3.668
    6   2HB   MET   1          1HB       MET   1  12.302  -5.489   2.317
    7   1HG   MET   1          2HG       MET   1  10.319  -4.935   0.924
    8   2HG   MET   1          1HG       MET   1   9.319  -5.091   2.365
    9   1HE   MET   1          3HE       MET   1   9.604  -3.516   4.527
   10   2HE   MET   1          2HE       MET   1  11.338  -3.834   4.586
   11   3HE   MET   1          1HE       MET   1  10.748  -2.175   4.604
   12    QB   MET   1           QB       MET   1  11.760  -5.635   2.993
   13    QG   MET   1           QG       MET   1   9.819  -5.013   1.645
   14    ME   MET   1           QE       MET   1  10.563  -3.175   4.572
   15    H    ASN   2           H        ASN   2   9.332  -7.936   0.452
   16    HA   ASN   2           HA       ASN   2  11.150  -7.540  -1.835
   17   1HB   ASN   2          2HB       ASN   2   8.617  -9.227  -1.694
   18   2HB   ASN   2          1HB       ASN   2   9.554  -8.962  -3.147
   19   1HD2  ASN   2          1HD2      ASN   2  10.072 -11.084  -3.519
   20   2HD2  ASN   2          2HD2      ASN   2  11.086 -11.993  -2.496
   21    QB   ASN   2           QB       ASN   2   9.085  -9.095  -2.421
   22    QD   ASN   2           QD2      ASN   2  10.579 -11.539  -3.007
   23    H    VAL   3           H        VAL   3  10.623  -5.980  -3.296
   24    HA   VAL   3           HA       VAL   3   8.520  -4.216  -2.566
   25    HB   VAL   3           HB       VAL   3   9.101  -2.874  -4.576
   26   1HG1  VAL   3          1HG1      VAL   3  11.454  -3.735  -2.910
   27   2HG1  VAL   3          3HG1      VAL   3  11.379  -2.268  -3.883
   28   3HG1  VAL   3          2HG1      VAL   3  10.286  -2.473  -2.512
   29   1HG2  VAL   3          1HG2      VAL   3   9.748  -4.729  -6.075
   30   2HG2  VAL   3          3HG2      VAL   3  10.990  -3.480  -5.987
   31   3HG2  VAL   3          2HG2      VAL   3  11.200  -4.987  -5.101
   32    MG1  VAL   3           QG1      VAL   3  11.040  -2.825  -3.102
   33    MG2  VAL   3           QG2      VAL   3  10.646  -4.399  -5.721
   34    QG   VAL   3           QQG      VAL   3  10.843  -3.612  -4.411
   35    H    THR   4           H        THR   4   8.852  -6.755  -4.915
   36    HA   THR   4           HA       THR   4   6.503  -6.214  -6.342
   37    HB   THR   4           HB       THR   4   8.206  -7.812  -7.173
   38    HG1  THR   4          1HG       THR   4   6.135  -8.027  -7.995
   39   1HG2  THR   4          3HG2      THR   4   8.761  -8.903  -5.041
   40   2HG2  THR   4          2HG2      THR   4   7.179  -9.674  -5.038
   41   3HG2  THR   4          1HG2      THR   4   8.358 -10.089  -6.285
   42    MG   THR   4           QG2      THR   4   8.099  -9.555  -5.455
   43    H    LYS   5           H        LYS   5   7.108  -7.867  -3.319
   44    HA   LYS   5           HA       LYS   5   4.402  -8.675  -3.119
   45   1HB   LYS   5          2HB       LYS   5   6.688  -9.013  -1.224
   46   2HB   LYS   5          1HB       LYS   5   5.041  -9.376  -0.737
   47   1HG   LYS   5          2HG       LYS   5   4.879 -10.856  -2.753
   48   2HG   LYS   5          1HG       LYS   5   6.621 -10.659  -2.940
   49   1HD   LYS   5          2HD       LYS   5   7.026 -11.679  -0.823
   50   2HD   LYS   5          1HD       LYS   5   5.306 -11.655  -0.420
   51   1HE   LYS   5          2HE       LYS   5   6.621 -13.268  -2.609
   52   2HE   LYS   5          1HE       LYS   5   5.952 -13.887  -1.099
   53   1HZ   LYS   5          2HZ       LYS   5   3.749 -13.003  -1.864
   54   2HZ   LYS   5          1HZ       LYS   5   4.429 -12.659  -3.346
   55   3HZ   LYS   5          3HZ       LYS   5   4.342 -14.253  -2.810
   56    QB   LYS   5           QB       LYS   5   5.864  -9.195  -0.981
   57    QD   LYS   5           QD       LYS   5   6.166 -11.667  -0.621
   58    QG   LYS   5           QG       LYS   5   5.750 -10.757  -2.846
   59    QE   LYS   5           QE       LYS   5   6.286 -13.578  -1.854
   60    QZ   LYS   5           QZ       LYS   5   4.173 -13.305  -2.673
   61    H    LEU   6           H        LEU   6   6.186  -5.960  -2.083
   62    HA   LEU   6           HA       LEU   6   4.291  -4.995  -0.214
   63   1HB   LEU   6          2HB       LEU   6   6.623  -4.090  -0.519
   64   2HB   LEU   6          1HB       LEU   6   6.086  -3.410  -2.044
   65    HG   LEU   6           HG       LEU   6   4.515  -1.946  -0.860
   66   1HD1  LEU   6          2HD1      LEU   6   5.710  -3.137   1.641
   67   2HD1  LEU   6          1HD1      LEU   6   4.637  -1.736   1.579
   68   3HD1  LEU   6          3HD1      LEU   6   4.049  -3.321   1.084
   69   1HD2  LEU   6          1HD2      LEU   6   6.763  -1.146  -1.360
   70   2HD2  LEU   6          3HD2      LEU   6   6.178  -0.472   0.160
   71   3HD2  LEU   6          2HD2      LEU   6   7.345  -1.794   0.175
   72    MD1  LEU   6           QD1      LEU   6   4.799  -2.731   1.435
   73    MD2  LEU   6           QD2      LEU   6   6.762  -1.137  -0.342
   74    QB   LEU   6           QB       LEU   6   6.355  -3.750  -1.282
   75    QD   LEU   6           QQD      LEU   6   5.780  -1.934   0.547
   76    H    ASN   7           H        ASN   7   4.769  -4.497  -3.698
   77    HA   ASN   7           HA       ASN   7   2.478  -2.933  -4.099
   78   1HB   ASN   7          2HB       ASN   7   4.484  -3.244  -5.692
   79   2HB   ASN   7          1HB       ASN   7   3.726  -4.743  -6.190
   80   1HD2  ASN   7          1HD2      ASN   7   0.968  -3.432  -6.000
   81   2HD2  ASN   7          2HD2      ASN   7   0.875  -2.446  -7.402
   82    QB   ASN   7           QB       ASN   7   4.105  -3.994  -5.941
   83    QD   ASN   7           QD2      ASN   7   0.922  -2.939  -6.701
   84    H    ASP   8           H        ASP   8   3.076  -6.366  -4.044
   85    HA   ASP   8           HA       ASP   8   0.678  -7.425  -5.008
   86   1HB   ASP   8          2HB       ASP   8   2.671  -8.771  -4.463
   87   2HB   ASP   8          1HB       ASP   8   2.404  -8.446  -2.755
   88    QB   ASP   8           QB       ASP   8   2.537  -8.609  -3.609
   89    H    ARG   9           H        ARG   9   1.507  -6.202  -1.815
   90    HA   ARG   9           HA       ARG   9  -0.915  -6.899  -0.504
   91   1HB   ARG   9          2HB       ARG   9   0.964  -4.610   0.093
   92   2HB   ARG   9          1HB       ARG   9  -0.315  -5.169   1.156
   93   1HG   ARG   9          2HG       ARG   9   0.801  -7.329   1.348
   94   2HG   ARG   9          1HG       ARG   9   2.081  -6.744   0.281
   95   1HD   ARG   9          2HD       ARG   9   2.570  -4.955   1.889
   96   2HD   ARG   9          1HD       ARG   9   1.328  -5.605   2.960
   97    HE   ARG   9           HE       ARG   9   3.218  -7.576   2.241
   98   1HH1  ARG   9          1HH1      ARG   9   2.700  -4.841   4.436
   99   2HH1  ARG   9          2HH1      ARG   9   3.830  -5.359   5.574
  100   1HH2  ARG   9          1HH2      ARG   9   4.777  -8.294   3.823
  101   2HH2  ARG   9          2HH2      ARG   9   5.037  -7.379   5.226
  102    QB   ARG   9           QB       ARG   9   0.325  -4.889   0.624
  103    QG   ARG   9           QG       ARG   9   1.441  -7.037   0.814
  104    QD   ARG   9           QD       ARG   9   1.949  -5.280   2.424
  105    QH1  ARG   9           QH1      ARG   9   3.265  -5.100   5.005
  106    QH2  ARG   9           QH2      ARG   9   4.907  -7.836   4.524
  107    H    ILE  10           H        ILE  10   0.143  -4.115  -2.319
  108    HA   ILE  10           HA       ILE  10  -2.077  -2.437  -1.985
  109    HB   ILE  10           HB       ILE  10  -0.341  -2.775  -4.456
  110   1HG1  ILE  10          2HG1      ILE  10  -0.106  -0.826  -2.183
  111   2HG1  ILE  10          1HG1      ILE  10   0.948  -2.224  -2.414
  112   1HG2  ILE  10          3HG2      ILE  10  -2.438  -1.625  -4.884
  113   2HG2  ILE  10          2HG2      ILE  10  -2.060  -0.449  -3.624
  114   3HG2  ILE  10          1HG2      ILE  10  -1.056  -0.534  -5.074
  115   1HD1  ILE  10          1HD1      ILE  10   1.705  -1.209  -4.552
  116   2HD1  ILE  10          3HD1      ILE  10   0.703   0.197  -4.195
  117   3HD1  ILE  10          2HD1      ILE  10   2.058  -0.218  -3.143
  118    MG   ILE  10           QG2      ILE  10  -1.851  -0.870  -4.528
  119    MD   ILE  10           QD1      ILE  10   1.489  -0.410  -3.963
  120    QG   ILE  10           QG1      ILE  10   0.421  -1.525  -2.298
  121    H    GLU  11           H        GLU  11  -1.344  -4.917  -4.376
  122    HA   GLU  11           HA       GLU  11  -3.647  -4.760  -5.939
  123   1HB   GLU  11          2HB       GLU  11  -1.938  -7.172  -5.341
  124   2HB   GLU  11          1HB       GLU  11  -3.086  -7.043  -6.664
  125   1HG   GLU  11          2HG       GLU  11  -0.598  -5.390  -6.287
  126   2HG   GLU  11          1HG       GLU  11  -0.833  -6.685  -7.459
  127    QB   GLU  11           QB       GLU  11  -2.512  -7.107  -6.002
  128    QG   GLU  11           QG       GLU  11  -0.715  -6.038  -6.873
  129    H    ALA  12           H        ALA  12  -2.963  -6.778  -3.137
  130    HA   ALA  12           HA       ALA  12  -5.474  -8.071  -3.078
  131   1HB   ALA  12          3HB       ALA  12  -3.489  -8.967  -1.947
  132   2HB   ALA  12          1HB       ALA  12  -4.846  -8.796  -0.834
  133   3HB   ALA  12          2HB       ALA  12  -3.531  -7.620  -0.810
  134    MB   ALA  12           QB       ALA  12  -3.956  -8.461  -1.197
  135    H    LYS  13           H        LYS  13  -4.355  -5.017  -1.849
  136    HA   LYS  13           HA       LYS  13  -6.586  -4.663  -0.082
  137   1HB   LYS  13          2HB       LYS  13  -4.403  -3.624   0.424
  138   2HB   LYS  13          1HB       LYS  13  -4.517  -2.662  -1.035
  139   1HG   LYS  13          2HG       LYS  13  -5.019  -1.410   1.057
  140   2HG   LYS  13          1HG       LYS  13  -6.332  -1.379  -0.117
  141   1HD   LYS  13          2HD       LYS  13  -7.570  -3.018   1.118
  142   2HD   LYS  13          1HD       LYS  13  -6.202  -3.309   2.195
  143   1HE   LYS  13          2HE       LYS  13  -7.493  -0.614   1.954
  144   2HE   LYS  13          1HE       LYS  13  -8.118  -1.832   3.063
  145   1HZ   LYS  13          3HZ       LYS  13  -5.319  -0.788   3.104
  146   2HZ   LYS  13          2HZ       LYS  13  -6.537  -0.338   4.214
  147   3HZ   LYS  13          1HZ       LYS  13  -5.995  -1.911   4.130
  148    QB   LYS  13           QB       LYS  13  -4.460  -3.143  -0.306
  149    QD   LYS  13           QD       LYS  13  -6.886  -3.163   1.656
  150    QG   LYS  13           QG       LYS  13  -5.676  -1.394   0.470
  151    QE   LYS  13           QE       LYS  13  -7.806  -1.223   2.508
  152    QZ   LYS  13           QZ       LYS  13  -5.951  -1.013   3.816
  153    H    LYS  14           H        LYS  14  -5.709  -3.710  -3.316
  154    HA   LYS  14           HA       LYS  14  -7.858  -2.039  -3.953
  155   1HB   LYS  14          2HB       LYS  14  -6.313  -4.016  -5.626
  156   2HB   LYS  14          1HB       LYS  14  -7.521  -2.940  -6.298
  157   1HG   LYS  14          2HG       LYS  14  -6.211  -1.017  -5.737
  158   2HG   LYS  14          1HG       LYS  14  -5.086  -2.019  -4.808
  159   1HD   LYS  14          2HD       LYS  14  -4.345  -3.135  -6.737
  160   2HD   LYS  14          1HD       LYS  14  -5.591  -2.392  -7.747
  161   1HE   LYS  14          2HE       LYS  14  -4.552  -0.231  -7.482
  162   2HE   LYS  14          1HE       LYS  14  -3.371  -0.872  -6.354
  163   1HZ   LYS  14          3HZ       LYS  14  -3.661  -1.642  -9.190
  164   2HZ   LYS  14          2HZ       LYS  14  -2.466  -0.626  -8.577
  165   3HZ   LYS  14          1HZ       LYS  14  -2.503  -2.270  -8.128
  166    QB   LYS  14           QB       LYS  14  -6.917  -3.478  -5.962
  167    QD   LYS  14           QD       LYS  14  -4.968  -2.763  -7.242
  168    QG   LYS  14           QG       LYS  14  -5.648  -1.518  -5.272
  169    QE   LYS  14           QE       LYS  14  -3.962  -0.552  -6.918
  170    QZ   LYS  14           QZ       LYS  14  -2.877  -1.513  -8.632
  171    H    LYS  15           H        LYS  15  -7.510  -5.543  -4.247
  172    HA   LYS  15           HA       LYS  15 -10.125  -6.051  -5.208
  173   1HB   LYS  15          2HB       LYS  15  -8.275  -7.903  -3.710
  174   2HB   LYS  15          1HB       LYS  15  -9.688  -8.394  -4.633
  175   1HG   LYS  15          2HG       LYS  15  -7.226  -7.069  -5.749
  176   2HG   LYS  15          1HG       LYS  15  -7.641  -8.779  -5.858
  177   1HD   LYS  15          2HD       LYS  15  -9.642  -8.215  -7.170
  178   2HD   LYS  15          1HD       LYS  15  -9.263  -6.499  -6.992
  179   1HE   LYS  15          2HE       LYS  15  -7.211  -6.796  -8.214
  180   2HE   LYS  15          1HE       LYS  15  -7.526  -8.515  -8.400
  181   1HZ   LYS  15          1HZ       LYS  15  -9.547  -7.933  -9.652
  182   2HZ   LYS  15          3HZ       LYS  15  -9.172  -6.301  -9.544
  183   3HZ   LYS  15          2HZ       LYS  15  -8.169  -7.341 -10.402
  184    QB   LYS  15           QB       LYS  15  -8.981  -8.149  -4.171
  185    QD   LYS  15           QD       LYS  15  -9.452  -7.357  -7.081
  186    QG   LYS  15           QG       LYS  15  -7.434  -7.924  -5.803
  187    QE   LYS  15           QE       LYS  15  -7.368  -7.655  -8.307
  188    QZ   LYS  15           QZ       LYS  15  -8.963  -7.192  -9.866
  189    H    GLU  16           H        GLU  16  -8.842  -5.699  -2.038
  190    HA   GLU  16           HA       GLU  16 -11.065  -6.824  -0.624
  191   1HB   GLU  16          2HB       GLU  16  -8.730  -6.527   0.334
  192   2HB   GLU  16          1HB       GLU  16  -9.041  -4.800   0.387
  193   1HG   GLU  16          2HG       GLU  16 -10.850  -5.154   1.971
  194   2HG   GLU  16          1HG       GLU  16 -10.610  -6.896   1.878
  195    QB   GLU  16           QB       GLU  16  -8.886  -5.664   0.361
  196    QG   GLU  16           QG       GLU  16 -10.730  -6.025   1.925
  197    H    LEU  17           H        LEU  17  -9.965  -3.635  -1.514
  198    HA   LEU  17           HA       LEU  17 -12.087  -2.145  -0.534
  199   1HB   LEU  17          2HB       LEU  17  -9.918  -1.775  -2.440
  200   2HB   LEU  17          1HB       LEU  17 -11.266  -0.687  -2.645
  201    HG   LEU  17           HG       LEU  17  -9.692  -1.057  -0.078
  202   1HD1  LEU  17          3HD1      LEU  17  -8.342  -0.029  -1.850
  203   2HD1  LEU  17          2HD1      LEU  17  -9.607   1.174  -2.107
  204   3HD1  LEU  17          1HD1      LEU  17  -8.738   1.122  -0.575
  205   1HD2  LEU  17          1HD2      LEU  17 -11.802   0.951  -0.869
  206   2HD2  LEU  17          3HD2      LEU  17 -12.005  -0.334   0.315
  207   3HD2  LEU  17          2HD2      LEU  17 -10.879   0.984   0.628
  208    MD1  LEU  17           QD1      LEU  17  -8.896   0.756  -1.511
  209    MD2  LEU  17           QD2      LEU  17 -11.562   0.534   0.024
  210    QB   LEU  17           QB       LEU  17 -10.592  -1.231  -2.543
  211    QD   LEU  17           QQD      LEU  17 -10.229   0.645  -0.743
  212    H    ILE  18           H        ILE  18 -11.655  -3.675  -3.683
  213    HA   ILE  18           HA       ILE  18 -13.950  -2.703  -4.934
  214    HB   ILE  18           HB       ILE  18 -12.614  -5.413  -5.249
  215   1HG1  ILE  18          2HG1      ILE  18 -12.408  -2.889  -6.898
  216   2HG1  ILE  18          1HG1      ILE  18 -11.202  -3.462  -5.753
  217   1HG2  ILE  18          1HG2      ILE  18 -14.926  -5.497  -6.083
  218   2HG2  ILE  18          3HG2      ILE  18 -14.599  -4.094  -7.103
  219   3HG2  ILE  18          2HG2      ILE  18 -13.754  -5.610  -7.396
  220   1HD1  ILE  18          3HD1      ILE  18 -10.918  -5.484  -7.143
  221   2HD1  ILE  18          2HD1      ILE  18 -12.061  -4.806  -8.294
  222   3HD1  ILE  18          1HD1      ILE  18 -10.523  -3.992  -8.004
  223    MG   ILE  18           QG2      ILE  18 -14.426  -5.067  -6.861
  224    MD   ILE  18           QD1      ILE  18 -11.167  -4.761  -7.813
  225    QG   ILE  18           QG1      ILE  18 -11.805  -3.175  -6.325
  226    H    TYR  19           H        TYR  19 -13.543  -5.505  -2.836
  227    HA   TYR  19           HA       TYR  19 -16.216  -6.379  -2.889
  228   1HB   TYR  19          2HB       TYR  19 -14.475  -7.856  -2.111
  229   2HB   TYR  19          1HB       TYR  19 -14.039  -6.744  -0.821
  230    HD1  TYR  19          1HD       TYR  19 -16.888  -8.797  -2.060
  231    HD2  TYR  19          2HD       TYR  19 -14.969  -7.038   1.301
  232    HE1  TYR  19          1HE       TYR  19 -18.463  -9.940  -0.570
  233    HE2  TYR  19          2HE       TYR  19 -16.542  -8.180   2.804
  234    HH   TYR  19           HH       TYR  19 -18.551 -10.679   1.750
  235    QB   TYR  19           QB       TYR  19 -14.257  -7.300  -1.466
  236    QD   TYR  19           QD       TYR  19 -15.929  -7.918  -0.380
  237    QE   TYR  19           QE       TYR  19 -17.502  -9.060   1.117
  238    QR   TYR  19           QR       TYR  19 -16.716  -8.489   0.369
  239    H    LEU  20           H        LEU  20 -14.504  -4.124  -0.818
  240    HA   LEU  20           HA       LEU  20 -16.624  -3.641   0.977
  241   1HB   LEU  20          2HB       LEU  20 -14.316  -1.856   0.226
  242   2HB   LEU  20          1HB       LEU  20 -15.352  -1.645   1.629
  243    HG   LEU  20           HG       LEU  20 -13.541  -4.019   1.162
  244   1HD1  LEU  20          2HD1      LEU  20 -12.273  -2.026   1.586
  245   2HD1  LEU  20          1HD1      LEU  20 -13.241  -1.710   3.025
  246   3HD1  LEU  20          3HD1      LEU  20 -12.209  -3.134   2.954
  247   1HD2  LEU  20          2HD2      LEU  20 -15.517  -4.601   2.464
  248   2HD2  LEU  20          1HD2      LEU  20 -14.070  -4.604   3.465
  249   3HD2  LEU  20          3HD2      LEU  20 -15.196  -3.251   3.556
  250    MD1  LEU  20           QD1      LEU  20 -12.574  -2.290   2.521
  251    MD2  LEU  20           QD2      LEU  20 -14.928  -4.152   3.161
  252    QB   LEU  20           QB       LEU  20 -14.834  -1.750   0.928
  253    QD   LEU  20           QQD      LEU  20 -13.751  -3.221   2.841
  254    H    VAL  21           H        VAL  21 -15.659  -2.040  -2.000
  255    HA   VAL  21           HA       VAL  21 -17.712  -0.120  -2.004
  256    HB   VAL  21           HB       VAL  21 -16.361  -1.385  -4.430
  257   1HG1  VAL  21          3HG1      VAL  21 -17.941   1.184  -4.218
  258   2HG1  VAL  21          2HG1      VAL  21 -17.052   0.651  -5.645
  259   3HG1  VAL  21          1HG1      VAL  21 -18.441  -0.275  -5.070
  260   1HG2  VAL  21          2HG2      VAL  21 -14.776  -0.299  -2.926
  261   2HG2  VAL  21          1HG2      VAL  21 -14.948   0.619  -4.426
  262   3HG2  VAL  21          3HG2      VAL  21 -15.743   1.173  -2.952
  263    MG1  VAL  21           QG1      VAL  21 -17.811   0.520  -4.978
  264    MG2  VAL  21           QG2      VAL  21 -15.155   0.498  -3.435
  265    QG   VAL  21           QQG      VAL  21 -16.483   0.509  -4.206
  266    H    GLU  22           H        GLU  22 -17.737  -3.492  -2.940
  267    HA   GLU  22           HA       GLU  22 -20.337  -3.484  -4.075
  268   1HB   GLU  22          2HB       GLU  22 -18.804  -5.735  -2.764
  269   2HB   GLU  22          1HB       GLU  22 -20.327  -5.943  -3.614
  270   1HG   GLU  22          2HG       GLU  22 -17.752  -4.951  -4.816
  271   2HG   GLU  22          1HG       GLU  22 -18.423  -6.570  -4.996
  272    QB   GLU  22           QB       GLU  22 -19.565  -5.839  -3.189
  273    QG   GLU  22           QG       GLU  22 -18.087  -5.760  -4.906
  274    H    LYS  23           H        LYS  23 -19.215  -4.334  -0.814
  275    HA   LYS  23           HA       LYS  23 -21.921  -4.699   0.069
  276   1HB   LYS  23          2HB       LYS  23 -19.343  -4.785   1.619
  277   2HB   LYS  23          1HB       LYS  23 -20.917  -5.039   2.348
  278   1HG   LYS  23          2HG       LYS  23 -19.686  -6.731   0.171
  279   2HG   LYS  23          1HG       LYS  23 -19.806  -7.160   1.876
  280   1HD   LYS  23          2HD       LYS  23 -22.284  -7.006   1.689
  281   2HD   LYS  23          1HD       LYS  23 -22.102  -6.703  -0.036
  282   1HE   LYS  23          2HE       LYS  23 -22.638  -9.013   0.290
  283   2HE   LYS  23          1HE       LYS  23 -20.969  -8.893  -0.258
  284   1HZ   LYS  23          1HZ       LYS  23 -21.778  -9.237   2.578
  285   2HZ   LYS  23          3HZ       LYS  23 -21.334 -10.486   1.555
  286   3HZ   LYS  23          2HZ       LYS  23 -20.201  -9.324   1.977
  287    QB   LYS  23           QB       LYS  23 -20.130  -4.912   1.984
  288    QD   LYS  23           QD       LYS  23 -22.193  -6.855   0.826
  289    QG   LYS  23           QG       LYS  23 -19.746  -6.945   1.023
  290    QE   LYS  23           QE       LYS  23 -21.804  -8.953   0.016
  291    QZ   LYS  23           QZ       LYS  23 -21.105  -9.682   2.036
  292    H    TYR  24           H        TYR  24 -19.526  -2.176   0.741
  293    HA   TYR  24           HA       TYR  24 -21.605  -0.802   2.277
  294   1HB   TYR  24          2HB       TYR  24 -18.643  -0.183   2.124
  295   2HB   TYR  24          1HB       TYR  24 -19.811   0.560   3.209
  296    HD1  TYR  24          1HD       TYR  24 -20.904  -0.880   4.987
  297    HD2  TYR  24          2HD       TYR  24 -17.589  -2.220   2.680
  298    HE1  TYR  24          1HE       TYR  24 -20.476  -2.658   6.640
  299    HE2  TYR  24          2HE       TYR  24 -17.154  -3.991   4.315
  300    HH   TYR  24           HH       TYR  24 -17.599  -4.445   6.663
  301    QB   TYR  24           QB       TYR  24 -19.227   0.189   2.667
  302    QD   TYR  24           QD       TYR  24 -19.247  -1.550   3.833
  303    QE   TYR  24           QE       TYR  24 -18.815  -3.324   5.477
  304    QR   TYR  24           QR       TYR  24 -19.031  -2.437   4.655
  305    H    GLY  25           H        GLY  25 -19.370  -0.380  -0.378
  306   1HA   GLY  25          1HA       GLY  25 -21.045   1.864  -1.302
  307   2HA   GLY  25          2HA       GLY  25 -20.099   0.808  -2.348
  308    QA   GLY  25           QA       GLY  25 -20.572   1.336  -1.825
  309    H    PHE  26           H        PHE  26 -20.089   3.749  -2.031
  310    HA   PHE  26           HA       PHE  26 -17.389   4.089  -1.053
  311   1HB   PHE  26          2HB       PHE  26 -16.978   5.734  -2.922
  312   2HB   PHE  26          1HB       PHE  26 -17.154   4.078  -3.458
  313    HD1  PHE  26          1HD       PHE  26 -18.445   7.442  -3.639
  314    HD2  PHE  26          2HD       PHE  26 -19.228   3.390  -4.654
  315    HE1  PHE  26          1HE       PHE  26 -20.115   8.183  -5.284
  316    HE2  PHE  26          2HE       PHE  26 -20.905   4.122  -6.300
  317    HZ   PHE  26           HZ       PHE  26 -21.341   6.525  -6.618
  318    QB   PHE  26           QB       PHE  26 -17.066   4.906  -3.190
  319    QD   PHE  26           QD       PHE  26 -18.836   5.416  -4.146
  320    QE   PHE  26           QE       PHE  26 -20.510   6.153  -5.792
  321    QR   PHE  26           QR       PHE  26 -20.007   5.932  -5.299
  322    H    THR  27           H        THR  27 -17.067   6.754  -1.032
  323    HA   THR  27           HA       THR  27 -17.344   8.432   0.362
  324    HB   THR  27           HB       THR  27 -19.593   9.528   0.484
  325    HG1  THR  27          1HG       THR  27 -20.349   7.169  -0.616
  326   1HG2  THR  27          1HG2      THR  27 -18.541   8.893  -2.268
  327   2HG2  THR  27          3HG2      THR  27 -19.664  10.203  -1.905
  328   3HG2  THR  27          2HG2      THR  27 -18.039  10.218  -1.218
  329    MG   THR  27           QG2      THR  27 -18.748   9.771  -1.797
  330    H    HIS  28           H        HIS  28 -17.610   5.769   1.376
  331    HA   HIS  28           HA       HIS  28 -19.196   6.148   3.803
  332   1HB   HIS  28          2HB       HIS  28 -19.720   4.155   2.413
  333   2HB   HIS  28          1HB       HIS  28 -18.046   3.646   2.516
  334    HD1  HIS  28          1HD       HIS  28 -21.269   3.580   4.388
  335    HD2  HIS  28          2HD       HIS  28 -17.302   2.568   4.976
  336    HE1  HIS  28          1HE       HIS  28 -21.230   2.095   6.409
  337    QB   HIS  28           QB       HIS  28 -18.883   3.901   2.465
  338    H    HIS  29           H        HIS  29 -18.134   6.252   5.709
  339    HA   HIS  29           HA       HIS  29 -15.571   7.248   5.838
  340   1HB   HIS  29          2HB       HIS  29 -17.273   6.018   7.975
  341   2HB   HIS  29          1HB       HIS  29 -15.689   6.682   8.335
  342    HD1  HIS  29          1HD       HIS  29 -16.270   8.768   9.599
  343    HD2  HIS  29          2HD       HIS  29 -18.472   8.393   6.103
  344    HE1  HIS  29          1HE       HIS  29 -17.598  10.897   9.376
  345    QB   HIS  29           QB       HIS  29 -16.481   6.350   8.155
  346    H    LYS  30           H        LYS  30 -16.499   3.905   6.500
  347    HA   LYS  30           HA       LYS  30 -13.938   3.026   7.304
  348   1HB   LYS  30          2HB       LYS  30 -16.016   1.320   5.887
  349   2HB   LYS  30          1HB       LYS  30 -14.737   0.768   6.951
  350   1HG   LYS  30          2HG       LYS  30 -15.781   1.833   8.839
  351   2HG   LYS  30          1HG       LYS  30 -17.049   2.497   7.805
  352   1HD   LYS  30          2HD       LYS  30 -17.633   0.111   7.215
  353   2HD   LYS  30          1HD       LYS  30 -16.527  -0.396   8.490
  354   1HE   LYS  30          2HE       LYS  30 -18.977   1.350   8.828
  355   2HE   LYS  30          1HE       LYS  30 -18.827  -0.333   9.319
  356   1HZ   LYS  30          1HZ       LYS  30 -17.193   1.894  10.439
  357   2HZ   LYS  30          3HZ       LYS  30 -18.570   1.268  11.148
  358   3HZ   LYS  30          2HZ       LYS  30 -17.207   0.303  10.977
  359    QB   LYS  30           QB       LYS  30 -15.376   1.044   6.419
  360    QD   LYS  30           QD       LYS  30 -17.080  -0.143   7.853
  361    QG   LYS  30           QG       LYS  30 -16.415   2.165   8.322
  362    QE   LYS  30           QE       LYS  30 -18.902   0.508   9.073
  363    QZ   LYS  30           QZ       LYS  30 -17.657   1.155  10.854
  364    H    VAL  31           H        VAL  31 -15.574   2.967   4.188
  365    HA   VAL  31           HA       VAL  31 -13.533   1.748   2.694
  366    HB   VAL  31           HB       VAL  31 -15.709   3.632   1.719
  367   1HG1  VAL  31          3HG1      VAL  31 -13.933   3.365   0.054
  368   2HG1  VAL  31          2HG1      VAL  31 -14.064   1.612   0.186
  369   3HG1  VAL  31          1HG1      VAL  31 -15.408   2.548  -0.462
  370   1HG2  VAL  31          2HG2      VAL  31 -16.620   1.709   2.918
  371   2HG2  VAL  31          1HG2      VAL  31 -16.955   1.583   1.190
  372   3HG2  VAL  31          3HG2      VAL  31 -15.667   0.622   1.912
  373    MG1  VAL  31           QG1      VAL  31 -14.468   2.509  -0.074
  374    MG2  VAL  31           QG2      VAL  31 -16.414   1.305   2.006
  375    QG   VAL  31           QQG      VAL  31 -15.441   1.907   0.966
  376    H    ILE  32           H        ILE  32 -14.295   5.166   3.228
  377    HA   ILE  32           HA       ILE  32 -12.296   6.323   1.653
  378    HB   ILE  32           HB       ILE  32 -13.465   7.331   4.273
  379   1HG1  ILE  32          2HG1      ILE  32 -14.163   8.068   1.417
  380   2HG1  ILE  32          1HG1      ILE  32 -15.102   6.983   2.434
  381   1HG2  ILE  32          1HG2      ILE  32 -11.344   8.446   3.835
  382   2HG2  ILE  32          3HG2      ILE  32 -11.882   8.860   2.207
  383   3HG2  ILE  32          2HG2      ILE  32 -12.691   9.561   3.609
  384   1HD1  ILE  32          3HD1      ILE  32 -14.596   9.906   2.957
  385   2HD1  ILE  32          2HD1      ILE  32 -16.093   9.208   2.341
  386   3HD1  ILE  32          1HD1      ILE  32 -15.550   8.829   3.976
  387    MG   ILE  32           QG2      ILE  32 -11.973   8.955   3.217
  388    MD   ILE  32           QD1      ILE  32 -15.413   9.314   3.091
  389    QG   ILE  32           QG1      ILE  32 -14.633   7.526   1.926
  390    H    SER  33           H        SER  33 -12.195   5.251   5.012
  391    HA   SER  33           HA       SER  33  -9.571   6.080   5.530
  392   1HB   SER  33          2HB       SER  33 -11.187   3.896   6.856
  393   2HB   SER  33          1HB       SER  33  -9.733   4.648   7.522
  394    HG   SER  33           HG       SER  33 -12.311   5.735   7.172
  395    QB   SER  33           QB       SER  33 -10.460   4.272   7.189
  396    H    PHE  34           H        PHE  34 -10.849   3.016   4.288
  397    HA   PHE  34           HA       PHE  34  -8.321   1.690   4.258
  398   1HB   PHE  34          2HB       PHE  34 -10.828   1.154   2.671
  399   2HB   PHE  34          1HB       PHE  34  -9.417   0.111   2.644
  400    HD1  PHE  34          1HD       PHE  34 -12.563   0.269   3.755
  401    HD2  PHE  34          2HD       PHE  34  -8.672  -0.342   5.318
  402    HE1  PHE  34          1HE       PHE  34 -13.528  -0.986   5.595
  403    HE2  PHE  34          2HE       PHE  34  -9.623  -1.603   7.199
  404    HZ   PHE  34           HZ       PHE  34 -12.067  -1.933   7.345
  405    QB   PHE  34           QB       PHE  34 -10.122   0.632   2.658
  406    QD   PHE  34           QD       PHE  34 -10.617  -0.037   4.537
  407    QE   PHE  34           QE       PHE  34 -11.576  -1.295   6.397
  408    QR   PHE  34           QR       PHE  34 -11.291  -0.919   5.842
  409    H    SER  35           H        SER  35 -10.095   3.652   1.988
  410    HA   SER  35           HA       SER  35  -8.568   3.236  -0.320
  411   1HB   SER  35          2HB       SER  35 -10.841   4.249  -0.243
  412   2HB   SER  35          1HB       SER  35 -10.154   5.677   0.517
  413    HG   SER  35           HG       SER  35 -10.547   5.722  -1.770
  414    QB   SER  35           QB       SER  35 -10.498   4.963   0.137
  415    H    GLN  36           H        GLN  36  -8.274   5.600   2.299
  416    HA   GLN  36           HA       GLN  36  -6.104   6.979   1.131
  417   1HB   GLN  36          2HB       GLN  36  -6.974   6.805   4.004
  418   2HB   GLN  36          1HB       GLN  36  -5.695   7.866   3.430
  419   1HG   GLN  36          2HG       GLN  36  -7.326   8.956   1.925
  420   2HG   GLN  36          1HG       GLN  36  -8.587   7.936   2.613
  421   1HE2  GLN  36          1HE2      GLN  36  -9.671   9.763   3.331
  422   2HE2  GLN  36          2HE2      GLN  36  -9.141  10.651   4.713
  423    QB   GLN  36           QB       GLN  36  -6.335   7.336   3.717
  424    QG   GLN  36           QG       GLN  36  -7.956   8.446   2.269
  425    QE   GLN  36           QE2      GLN  36  -9.406  10.207   4.022
  426    H    GLU  37           H        GLU  37  -6.280   4.122   3.126
  427    HA   GLU  37           HA       GLU  37  -3.507   3.948   3.698
  428   1HB   GLU  37          2HB       GLU  37  -5.496   1.711   3.366
  429   2HB   GLU  37          1HB       GLU  37  -3.903   1.563   4.085
  430   1HG   GLU  37          2HG       GLU  37  -4.601   3.090   5.869
  431   2HG   GLU  37          1HG       GLU  37  -6.215   3.140   5.149
  432    QB   GLU  37           QB       GLU  37  -4.699   1.637   3.725
  433    QG   GLU  37           QG       GLU  37  -5.408   3.115   5.509
  434    H    LEU  38           H        LEU  38  -5.535   2.917   1.052
  435    HA   LEU  38           HA       LEU  38  -3.699   1.324  -0.337
  436   1HB   LEU  38          2HB       LEU  38  -6.187   1.438  -0.689
  437   2HB   LEU  38          1HB       LEU  38  -5.983   3.001  -1.429
  438    HG   LEU  38           HG       LEU  38  -6.436   1.111  -3.011
  439   1HD1  LEU  38          1HD1      LEU  38  -3.839   2.546  -3.437
  440   2HD1  LEU  38          3HD1      LEU  38  -4.763   1.705  -4.681
  441   3HD1  LEU  38          2HD1      LEU  38  -5.445   3.123  -3.879
  442   1HD2  LEU  38          3HD2      LEU  38  -3.672   0.230  -2.208
  443   2HD2  LEU  38          2HD2      LEU  38  -5.188  -0.633  -1.924
  444   3HD2  LEU  38          1HD2      LEU  38  -4.599  -0.404  -3.568
  445    MD1  LEU  38           QD1      LEU  38  -4.682   2.458  -3.999
  446    MD2  LEU  38           QD2      LEU  38  -4.486  -0.269  -2.567
  447    QB   LEU  38           QB       LEU  38  -6.085   2.220  -1.059
  448    QD   LEU  38           QQD      LEU  38  -4.584   1.095  -3.283
  449    H    ASP  39           H        ASP  39  -4.462   4.763  -0.558
  450    HA   ASP  39           HA       ASP  39  -2.541   5.422  -2.531
  451   1HB   ASP  39          2HB       ASP  39  -4.351   6.958  -2.016
  452   2HB   ASP  39          1HB       ASP  39  -3.773   7.136  -0.366
  453    QB   ASP  39           QB       ASP  39  -4.062   7.047  -1.191
  454    H    ARG  40           H        ARG  40  -2.335   5.346   0.989
  455    HA   ARG  40           HA       ARG  40   0.324   6.271   1.164
  456   1HB   ARG  40          2HB       ARG  40  -1.014   6.251   3.172
  457   2HB   ARG  40          1HB       ARG  40  -1.278   4.524   3.046
  458   1HG   ARG  40          2HG       ARG  40   0.307   5.064   4.840
  459   2HG   ARG  40          1HG       ARG  40   1.066   4.095   3.583
  460   1HD   ARG  40          2HD       ARG  40   2.090   6.158   2.656
  461   2HD   ARG  40          1HD       ARG  40   1.360   7.090   3.964
  462    HE   ARG  40           HE       ARG  40   2.721   5.178   5.282
  463   1HH1  ARG  40          1HH1      ARG  40   3.823   7.612   2.856
  464   2HH1  ARG  40          2HH1      ARG  40   5.436   7.513   3.424
  465   1HH2  ARG  40          1HH2      ARG  40   5.034   5.174   5.946
  466   2HH2  ARG  40          2HH2      ARG  40   6.107   6.174   5.072
  467    QB   ARG  40           QB       ARG  40  -1.146   5.387   3.109
  468    QG   ARG  40           QG       ARG  40   0.686   4.579   4.211
  469    QD   ARG  40           QD       ARG  40   1.725   6.624   3.310
  470    QH1  ARG  40           QH1      ARG  40   4.629   7.562   3.140
  471    QH2  ARG  40           QH2      ARG  40   5.570   5.674   5.509
  472    H    LEU  41           H        LEU  41  -0.993   3.053   0.618
  473    HA   LEU  41           HA       LEU  41   1.441   1.652   0.828
  474   1HB   LEU  41          2HB       LEU  41  -0.935   0.942  -0.916
  475   2HB   LEU  41          1HB       LEU  41   0.408  -0.107  -0.487
  476    HG   LEU  41           HG       LEU  41  -1.627   0.971   1.454
  477   1HD1  LEU  41          1HD1      LEU  41  -2.592  -0.654  -0.079
  478   2HD1  LEU  41          3HD1      LEU  41  -1.286  -1.783   0.282
  479   3HD1  LEU  41          2HD1      LEU  41  -2.435  -1.332   1.541
  480   1HD2  LEU  41          2HD2      LEU  41   0.608  -1.029   1.817
  481   2HD2  LEU  41          1HD2      LEU  41   0.549   0.594   2.505
  482   3HD2  LEU  41          3HD2      LEU  41  -0.612  -0.630   3.023
  483    MD1  LEU  41           QD1      LEU  41  -2.104  -1.256   0.582
  484    MD2  LEU  41           QD2      LEU  41   0.182  -0.355   2.448
  485    QB   LEU  41           QB       LEU  41  -0.263   0.417  -0.701
  486    QD   LEU  41           QQD      LEU  41  -0.961  -0.805   1.515
  487    H    LEU  42           H        LEU  42  -0.134   3.190  -1.945
  488    HA   LEU  42           HA       LEU  42   1.846   2.609  -3.871
  489   1HB   LEU  42          2HB       LEU  42  -0.221   4.729  -3.591
  490   2HB   LEU  42          1HB       LEU  42   1.053   5.027  -4.743
  491    HG   LEU  42           HG       LEU  42  -0.874   4.171  -5.859
  492   1HD1  LEU  42          3HD1      LEU  42   1.276   3.512  -6.741
  493   2HD1  LEU  42          2HD1      LEU  42   1.268   2.065  -5.730
  494   3HD1  LEU  42          1HD1      LEU  42   0.073   2.253  -7.006
  495   1HD2  LEU  42          3HD2      LEU  42  -1.927   2.999  -4.016
  496   2HD2  LEU  42          2HD2      LEU  42  -1.776   1.937  -5.417
  497   3HD2  LEU  42          1HD2      LEU  42  -0.671   1.768  -4.052
  498    MD1  LEU  42           QD1      LEU  42   0.873   2.610  -6.492
  499    MD2  LEU  42           QD2      LEU  42  -1.458   2.235  -4.495
  500    QB   LEU  42           QB       LEU  42   0.416   4.878  -4.167
  501    QD   LEU  42           QQD      LEU  42  -0.293   2.422  -5.494
  502    H    ASN  43           H        ASN  43   1.511   5.162  -1.572
  503    HA   ASN  43           HA       ASN  43   3.806   6.575  -2.383
  504   1HB   ASN  43          2HB       ASN  43   2.006   6.819  -0.025
  505   2HB   ASN  43          1HB       ASN  43   3.573   7.622   0.018
  506   1HD2  ASN  43          1HD2      ASN  43   0.468   7.482  -1.595
  507   2HD2  ASN  43          2HD2      ASN  43   0.612   9.008  -2.372
  508    QB   ASN  43           QB       ASN  43   2.789   7.220  -0.004
  509    QD   ASN  43           QD2      ASN  43   0.540   8.245  -1.983
  510    H    LEU  44           H        LEU  44   3.481   3.765  -0.525
  511    HA   LEU  44           HA       LEU  44   5.894   4.014   0.915
  512   1HB   LEU  44          2HB       LEU  44   4.429   1.571  -0.047
  513   2HB   LEU  44          1HB       LEU  44   5.842   1.506   0.996
  514    HG   LEU  44           HG       LEU  44   3.172   2.741   1.682
  515   1HD1  LEU  44          2HD1      LEU  44   3.123   0.301   1.593
  516   2HD1  LEU  44          1HD1      LEU  44   4.507   0.233   2.684
  517   3HD1  LEU  44          3HD1      LEU  44   2.969   0.893   3.246
  518   1HD2  LEU  44          3HD2      LEU  44   5.670   2.402   3.345
  519   2HD2  LEU  44          2HD2      LEU  44   4.975   3.930   2.789
  520   3HD2  LEU  44          1HD2      LEU  44   4.102   2.940   3.947
  521    MD1  LEU  44           QD1      LEU  44   3.533   0.476   2.507
  522    MD2  LEU  44           QD2      LEU  44   4.916   3.091   3.360
  523    QB   LEU  44           QB       LEU  44   5.136   1.539   0.474
  524    QD   LEU  44           QQD      LEU  44   4.224   1.783   2.934
  525    H    LEU  45           H        LEU  45   5.142   2.729  -2.296
  526    HA   LEU  45           HA       LEU  45   7.803   1.938  -2.900
  527   1HB   LEU  45          2HB       LEU  45   5.529   2.711  -4.755
  528   2HB   LEU  45          1HB       LEU  45   7.082   2.175  -5.334
  529    HG   LEU  45           HG       LEU  45   5.567   0.372  -5.534
  530   1HD1  LEU  45          3HD1      LEU  45   7.343  -0.150  -3.181
  531   2HD1  LEU  45          2HD1      LEU  45   6.557  -1.378  -4.172
  532   3HD1  LEU  45          1HD1      LEU  45   7.757  -0.305  -4.888
  533   1HD2  LEU  45          2HD2      LEU  45   3.846   1.066  -3.962
  534   2HD2  LEU  45          1HD2      LEU  45   4.314  -0.606  -3.683
  535   3HD2  LEU  45          3HD2      LEU  45   4.902   0.660  -2.605
  536    MD1  LEU  45           QD1      LEU  45   7.219  -0.611  -4.080
  537    MD2  LEU  45           QD2      LEU  45   4.354   0.373  -3.417
  538    QB   LEU  45           QB       LEU  45   6.306   2.443  -5.045
  539    QD   LEU  45           QQD      LEU  45   5.787  -0.119  -3.749
  540    H    ILE  46           H        ILE  46   6.036   4.895  -3.253
  541    HA   ILE  46           HA       ILE  46   7.973   6.404  -4.668
  542    HB   ILE  46           HB       ILE  46   5.788   7.327  -2.773
  543   1HG1  ILE  46          2HG1      ILE  46   5.796   7.118  -5.793
  544   2HG1  ILE  46          1HG1      ILE  46   4.975   6.012  -4.698
  545   1HG2  ILE  46          3HG2      ILE  46   7.469   9.075  -3.078
  546   2HG2  ILE  46          2HG2      ILE  46   7.308   8.926  -4.830
  547   3HG2  ILE  46          1HG2      ILE  46   5.952   9.510  -3.872
  548   1HD1  ILE  46          2HD1      ILE  46   4.367   8.943  -5.043
  549   2HD1  ILE  46          1HD1      ILE  46   3.422   7.602  -5.695
  550   3HD1  ILE  46          3HD1      ILE  46   3.528   7.846  -3.952
  551    MG   ILE  46           QG2      ILE  46   6.910   9.171  -3.927
  552    MD   ILE  46           QD1      ILE  46   3.772   8.131  -4.897
  553    QG   ILE  46           QG1      ILE  46   5.386   6.565  -5.246
  554    H    GLU  47           H        GLU  47   7.301   5.925  -1.244
  555    HA   GLU  47           HA       GLU  47   9.250   7.735  -0.297
  556   1HB   GLU  47          2HB       GLU  47   7.200   7.013   0.954
  557   2HB   GLU  47          1HB       GLU  47   7.951   5.442   1.182
  558   1HG   GLU  47          2HG       GLU  47   9.752   6.491   2.464
  559   2HG   GLU  47          1HG       GLU  47   9.021   8.061   2.195
  560    QB   GLU  47           QB       GLU  47   7.576   6.228   1.068
  561    QG   GLU  47           QG       GLU  47   9.386   7.276   2.330
  562    H    LEU  48           H        LEU  48   9.270   4.288  -1.045
  563    HA   LEU  48           HA       LEU  48  11.694   3.548   0.092
  564   1HB   LEU  48          2HB       LEU  48  10.428   2.617  -2.436
  565   2HB   LEU  48          1HB       LEU  48  11.871   1.899  -1.750
  566    HG   LEU  48           HG       LEU  48   9.096   1.915  -0.589
  567   1HD1  LEU  48          3HD1      LEU  48  11.052  -0.131  -1.371
  568   2HD1  LEU  48          2HD1      LEU  48   9.463  -0.491  -0.652
  569   3HD1  LEU  48          1HD1      LEU  48   9.584   0.277  -2.264
  570   1HD2  LEU  48          1HD2      LEU  48  11.669   1.025   0.733
  571   2HD2  LEU  48          3HD2      LEU  48  10.618   2.340   1.275
  572   3HD2  LEU  48          2HD2      LEU  48  10.046   0.679   1.323
  573    MD1  LEU  48           QD1      LEU  48  10.033  -0.115  -1.429
  574    MD2  LEU  48           QD2      LEU  48  10.778   1.348   1.110
  575    QB   LEU  48           QB       LEU  48  11.149   2.258  -2.093
  576    QD   LEU  48           QQD      LEU  48  10.405   0.616  -0.159
  577    H    LYS  49           H        LYS  49  11.023   5.233  -2.848
  578    HA   LYS  49           HA       LYS  49  13.592   5.258  -4.000
  579   1HB   LYS  49          2HB       LYS  49  11.518   5.879  -5.173
  580   2HB   LYS  49          1HB       LYS  49  11.345   7.276  -4.135
  581   1HG   LYS  49          2HG       LYS  49  12.131   7.980  -6.263
  582   2HG   LYS  49          1HG       LYS  49  13.451   8.174  -5.105
  583   1HD   LYS  49          2HD       LYS  49  14.462   6.115  -5.913
  584   2HD   LYS  49          1HD       LYS  49  13.106   5.863  -7.012
  585   1HE   LYS  49          2HE       LYS  49  15.054   8.158  -7.061
  586   2HE   LYS  49          1HE       LYS  49  15.024   6.803  -8.184
  587   1HZ   LYS  49          3HZ       LYS  49  12.775   7.544  -8.889
  588   2HZ   LYS  49          2HZ       LYS  49  12.903   8.891  -7.903
  589   3HZ   LYS  49          1HZ       LYS  49  13.951   8.708  -9.197
  590    QB   LYS  49           QB       LYS  49  11.431   6.577  -4.654
  591    QD   LYS  49           QD       LYS  49  13.784   5.989  -6.462
  592    QG   LYS  49           QG       LYS  49  12.791   8.077  -5.684
  593    QE   LYS  49           QE       LYS  49  15.039   7.480  -7.622
  594    QZ   LYS  49           QZ       LYS  49  13.209   8.381  -8.663
  595    H    THR  50           H        THR  50  11.933   7.422  -1.750
  596    HA   THR  50           HA       THR  50  13.903   9.416  -1.564
  597    HB   THR  50           HB       THR  50  11.788   8.776   0.497
  598    HG1  THR  50          1HG       THR  50  10.321   9.734  -0.798
  599   1HG2  THR  50          2HG2      THR  50  12.997  11.363  -0.498
  600   2HG2  THR  50          1HG2      THR  50  11.747  11.223   0.747
  601   3HG2  THR  50          3HG2      THR  50  13.359  10.562   1.031
  602    MG   THR  50           QG2      THR  50  12.701  11.049   0.427
  603    H    LYS  51           H        LYS  51  13.693   6.300  -0.152
  604    HA   LYS  51           HA       LYS  51  14.925   6.709   2.378
  605   1HB   LYS  51          2HB       LYS  51  15.010   4.185   0.720
  606   2HB   LYS  51          1HB       LYS  51  15.353   4.316   2.431
  607   1HG   LYS  51          2HG       LYS  51  12.701   4.862   1.146
  608   2HG   LYS  51          1HG       LYS  51  13.143   3.351   1.948
  609   1HD   LYS  51          2HD       LYS  51  13.441   4.640   4.048
  610   2HD   LYS  51          1HD       LYS  51  12.900   6.088   3.192
  611   1HE   LYS  51          2HE       LYS  51  10.786   4.875   2.626
  612   2HE   LYS  51          1HE       LYS  51  11.345   3.561   3.635
  613   1HZ   LYS  51          3HZ       LYS  51  11.083   6.284   4.709
  614   2HZ   LYS  51          2HZ       LYS  51   9.771   5.253   4.695
  615   3HZ   LYS  51          1HZ       LYS  51  11.171   4.855   5.574
  616    QB   LYS  51           QB       LYS  51  15.181   4.251   1.575
  617    QD   LYS  51           QD       LYS  51  13.170   5.364   3.620
  618    QG   LYS  51           QG       LYS  51  12.922   4.107   1.547
  619    QE   LYS  51           QE       LYS  51  11.066   4.218   3.130
  620    QZ   LYS  51           QZ       LYS  51  10.675   5.464   4.993
  621    H    LYS  52           H        LYS  52  16.229   6.741  -0.742
  622    HA   LYS  52           HA       LYS  52  18.196   6.812  -1.733
  623   1HB   LYS  52          2HB       LYS  52  20.120   7.935  -0.731
  624   2HB   LYS  52          1HB       LYS  52  18.639   8.804  -0.407
  625   1HG   LYS  52          2HG       LYS  52  18.671   8.104   1.889
  626   2HG   LYS  52          1HG       LYS  52  20.026   7.012   1.580
  627   1HD   LYS  52          2HD       LYS  52  21.461   8.878   1.045
  628   2HD   LYS  52          1HD       LYS  52  20.102   9.990   1.176
  629   1HE   LYS  52          2HE       LYS  52  21.198   8.335   3.446
  630   2HE   LYS  52          1HE       LYS  52  21.603  10.022   3.147
  631   1HZ   LYS  52          3HZ       LYS  52  19.225  10.569   3.414
  632   2HZ   LYS  52          2HZ       LYS  52  18.898   8.965   3.791
  633   3HZ   LYS  52          1HZ       LYS  52  19.872   9.873   4.796
  634    QB   LYS  52           QB       LYS  52  19.380   8.369  -0.569
  635    QD   LYS  52           QD       LYS  52  20.781   9.434   1.110
  636    QG   LYS  52           QG       LYS  52  19.349   7.558   1.735
  637    QE   LYS  52           QE       LYS  52  21.400   9.179   3.297
  638    QZ   LYS  52           QZ       LYS  52  19.332   9.802   4.000
  639    H    LYS  53           H        LYS  53  18.069   4.691   0.817
  640    HA   LYS  53           HA       LYS  53  20.512   3.350   0.127
  641   1HB   LYS  53          2HB       LYS  53  19.668   1.559   1.669
  642   2HB   LYS  53          1HB       LYS  53  19.884   3.138   2.400
  643   1HG   LYS  53          2HG       LYS  53  17.459   3.538   2.225
  644   2HG   LYS  53          1HG       LYS  53  17.264   1.926   1.533
  645   1HD   LYS  53          2HD       LYS  53  18.499   2.436   4.240
  646   2HD   LYS  53          1HD       LYS  53  16.786   2.104   4.010
  647   1HE   LYS  53          2HE       LYS  53  18.930   0.269   2.983
  648   2HE   LYS  53          1HE       LYS  53  18.270   0.110   4.613
  649   1HZ   LYS  53          2HZ       LYS  53  16.695  -0.037   2.083
  650   2HZ   LYS  53          1HZ       LYS  53  17.212  -1.345   2.991
  651   3HZ   LYS  53          3HZ       LYS  53  16.109  -0.270   3.648
  652    QB   LYS  53           QB       LYS  53  19.776   2.349   2.034
  653    QD   LYS  53           QD       LYS  53  17.643   2.270   4.125
  654    QG   LYS  53           QG       LYS  53  17.361   2.732   1.879
  655    QE   LYS  53           QE       LYS  53  18.600   0.189   3.798
  656    QZ   LYS  53           QZ       LYS  53  16.672  -0.550   2.907
  657    H    ARG  54           H        ARG  54  17.642   3.552  -1.361
  658    HA   ARG  54           HA       ARG  54  17.701   0.877  -2.437
  659   1HB   ARG  54          2HB       ARG  54  15.872   3.222  -3.025
  660   2HB   ARG  54          1HB       ARG  54  15.760   1.677  -3.850
  661   1HG   ARG  54          2HG       ARG  54  15.429   2.060  -0.875
  662   2HG   ARG  54          1HG       ARG  54  14.106   1.948  -2.031
  663   1HD   ARG  54          2HD       ARG  54  16.163  -0.203  -1.471
  664   2HD   ARG  54          1HD       ARG  54  14.497  -0.185  -0.893
  665    HE   ARG  54           HE       ARG  54  14.585   0.047  -3.709
  666   1HH1  ARG  54          1HH1      ARG  54  14.794  -2.389  -1.119
  667   2HH1  ARG  54          2HH1      ARG  54  14.434  -3.677  -2.164
  668   1HH2  ARG  54          1HH2      ARG  54  14.061  -1.723  -5.080
  669   2HH2  ARG  54          2HH2      ARG  54  13.994  -3.314  -4.464
  670    QB   ARG  54           QB       ARG  54  15.816   2.449  -3.438
  671    QG   ARG  54           QG       ARG  54  14.767   2.004  -1.453
  672    QD   ARG  54           QD       ARG  54  15.330  -0.194  -1.182
  673    QH1  ARG  54           QH1      ARG  54  14.614  -3.033  -1.641
  674    QH2  ARG  54           QH2      ARG  54  14.027  -2.518  -4.772
  675    H    TYR  55           H        TYR  55  18.143   0.509  -4.670
  676    HA   TYR  55           HA       TYR  55  20.527   1.796  -5.391
  677   1HB   TYR  55          2HB       TYR  55  18.876  -0.080  -7.086
  678   2HB   TYR  55          1HB       TYR  55  20.580   0.306  -7.285
  679    HD1  TYR  55          1HD       TYR  55  18.180  -1.764  -5.573
  680    HD2  TYR  55          2HD       TYR  55  22.203  -0.394  -5.498
  681    HE1  TYR  55          1HE       TYR  55  18.770  -3.595  -4.052
  682    HE2  TYR  55          2HE       TYR  55  22.797  -2.230  -3.982
  683    HH   TYR  55           HH       TYR  55  21.596  -3.636  -2.310
  684    QB   TYR  55           QB       TYR  55  19.728   0.113  -7.185
  685    QD   TYR  55           QD       TYR  55  20.191  -1.079  -5.535
  686    QE   TYR  55           QE       TYR  55  20.784  -2.913  -4.017
  687    QR   TYR  55           QR       TYR  55  20.487  -1.996  -4.776
  688    H    SER  56           H        SER  56  17.241   2.286  -6.479
  689    HA   SER  56           HA       SER  56  17.863   3.535  -8.894
  690   1HB   SER  56          2HB       SER  56  15.456   4.330  -8.699
  691   2HB   SER  56          1HB       SER  56  15.733   2.592  -8.729
  692    HG   SER  56           HG       SER  56  14.277   3.305  -7.130
  693    QB   SER  56           QB       SER  56  15.594   3.461  -8.714
  694    H    LEU  57           H        LEU  57  18.164   4.795  -5.721
  695    HA   LEU  57           HA       LEU  57  17.832   7.503  -6.728
  696   1HB   LEU  57          2HB       LEU  57  17.061   6.976  -4.407
  697   2HB   LEU  57          1HB       LEU  57  18.720   6.665  -3.952
  698    HG   LEU  57           HG       LEU  57  18.048   9.365  -5.073
  699   1HD1  LEU  57          1HD1      LEU  57  16.306   8.987  -3.435
  700   2HD1  LEU  57          3HD1      LEU  57  17.509   8.571  -2.213
  701   3HD1  LEU  57          2HD1      LEU  57  17.457  10.199  -2.882
  702   1HD2  LEU  57          2HD2      LEU  57  19.947   8.432  -2.919
  703   2HD2  LEU  57          1HD2      LEU  57  20.359   8.802  -4.595
  704   3HD2  LEU  57          3HD2      LEU  57  19.799  10.087  -3.527
  705    MD1  LEU  57           QD1      LEU  57  17.091   9.253  -2.843
  706    MD2  LEU  57           QD2      LEU  57  20.035   9.107  -3.680
  707    QB   LEU  57           QB       LEU  57  17.890   6.820  -4.179
  708    QD   LEU  57           QQD      LEU  57  18.563   9.180  -3.262
  709    H    LEU  58           H        LEU  58  20.354   5.270  -6.068
  710    HA   LEU  58           HA       LEU  58  22.421   7.276  -6.412
  711   1HB   LEU  58          2HB       LEU  58  22.678   4.253  -6.404
  712   2HB   LEU  58          1HB       LEU  58  24.015   5.371  -6.444
  713    HG   LEU  58           HG       LEU  58  23.186   6.165  -4.147
  714   1HD1  LEU  58          2HD1      LEU  58  21.709   3.555  -4.312
  715   2HD1  LEU  58          1HD1      LEU  58  21.933   4.521  -2.853
  716   3HD1  LEU  58          3HD1      LEU  58  20.989   5.159  -4.200
  717   1HD2  LEU  58          3HD2      LEU  58  25.207   4.868  -4.476
  718   2HD2  LEU  58          2HD2      LEU  58  24.370   4.355  -3.014
  719   3HD2  LEU  58          1HD2      LEU  58  24.268   3.378  -4.480
  720    MD1  LEU  58           QD1      LEU  58  21.544   4.412  -3.788
  721    MD2  LEU  58           QD2      LEU  58  24.615   4.200  -3.990
  722    QB   LEU  58           QB       LEU  58  23.346   4.812  -6.424
  723    QD   LEU  58           QQD      LEU  58  23.079   4.306  -3.889
  724    H    GLU  59           H        GLU  59  21.246   4.439  -8.132
  725    HA   GLU  59           HA       GLU  59  22.461   5.451 -10.572
  726   1HB   GLU  59          2HB       GLU  59  21.350   2.711  -9.943
  727   2HB   GLU  59          1HB       GLU  59  22.215   3.174 -11.404
  728   1HG   GLU  59          2HG       GLU  59  24.224   3.588 -10.114
  729   2HG   GLU  59          1HG       GLU  59  23.368   3.194  -8.631
  730    QB   GLU  59           QB       GLU  59  21.783   2.942 -10.674
  731    QG   GLU  59           QG       GLU  59  23.796   3.391  -9.373
  732    H    HIS  60           H        HIS  60  20.939   6.908 -11.106
  733    HA   HIS  60           HA       HIS  60  18.170   5.969 -11.280
  734   1HB   HIS  60          2HB       HIS  60  18.577   7.951  -9.809
  735   2HB   HIS  60          1HB       HIS  60  19.160   8.821 -11.224
  736    HD1  HIS  60          1HD       HIS  60  17.389  10.194 -12.412
  737    HD2  HIS  60          2HD       HIS  60  15.785   7.085 -10.169
  738    HE1  HIS  60          1HE       HIS  60  14.890  10.455 -12.536
  739    QB   HIS  60           QB       HIS  60  18.869   8.386 -10.517
  740    H    HIS  61           H        HIS  61  17.974   5.147 -13.199
  741    HA   HIS  61           HA       HIS  61  19.163   6.427 -15.509
  742   1HB   HIS  61          2HB       HIS  61  17.437   3.939 -15.300
  743   2HB   HIS  61          1HB       HIS  61  18.156   4.535 -16.787
  744    HD1  HIS  61          1HD       HIS  61  20.415   3.545 -17.343
  745    HD2  HIS  61          2HD       HIS  61  19.458   3.199 -13.315
  746    HE1  HIS  61          1HE       HIS  61  22.232   2.148 -16.314
  747    QB   HIS  61           QB       HIS  61  17.797   4.237 -16.043
  748    H    HIS  62           H        HIS  62  18.139   7.868 -16.622
  749    HA   HIS  62           HA       HIS  62  15.324   8.334 -16.071
  750   1HB   HIS  62          2HB       HIS  62  16.852  10.230 -15.724
  751   2HB   HIS  62          1HB       HIS  62  17.442  10.072 -17.370
  752    HD1  HIS  62          1HD       HIS  62  16.400  11.682 -18.950
  753    HD2  HIS  62          2HD       HIS  62  13.930  10.845 -15.724
  754    HE1  HIS  62          1HE       HIS  62  14.384  13.174 -19.208
  755    QB   HIS  62           QB       HIS  62  17.147  10.151 -16.547
  756    H    HIS  63           H        HIS  63  14.195   7.048 -17.397
  757    HA   HIS  63           HA       HIS  63  14.984   6.854 -20.196
  758   1HB   HIS  63          2HB       HIS  63  14.362   4.778 -18.893
  759   2HB   HIS  63          1HB       HIS  63  12.740   5.428 -18.727
  760    HD1  HIS  63          1HD       HIS  63  14.555   3.105 -20.737
  761    HD2  HIS  63          2HD       HIS  63  11.620   5.949 -21.517
  762    HE1  HIS  63          1HE       HIS  63  13.448   2.418 -22.892
  763    QB   HIS  63           QB       HIS  63  13.551   5.103 -18.810
  764    H    HIS  64           H        HIS  64  14.206   8.398 -21.449
  765    HA   HIS  64           HA       HIS  64  11.430   9.121 -21.323
  766   1HB   HIS  64          2HB       HIS  64  12.703  10.638 -19.698
  767   2HB   HIS  64          1HB       HIS  64  13.580  11.245 -21.086
  768    HD1  HIS  64          1HD       HIS  64  10.952  12.250 -18.993
  769    HD2  HIS  64          2HD       HIS  64  11.444  12.186 -23.119
  770    HE1  HIS  64          1HE       HIS  64   9.371  13.965 -19.909
  771    QB   HIS  64           QB       HIS  64  13.142  10.942 -20.392

  No H/Q in entry =         771
  Start of MODEL    4
    1    H1   MET   1          2HT       MET   1  12.279  -6.395   1.682
    2    H2   MET   1          1HT       MET   1  13.508  -5.552   2.469
    3    H3   MET   1          3HT       MET   1  12.427  -4.759   1.447
    4    HA   MET   1           HA       MET   1  14.476  -5.017   0.297
    5   1HB   MET   1          2HB       MET   1  14.110  -7.938   0.983
    6   2HB   MET   1          1HB       MET   1  15.122  -7.414  -0.345
    7   1HG   MET   1          2HG       MET   1  15.505  -6.605   2.528
    8   2HG   MET   1          1HG       MET   1  16.364  -7.918   1.722
    9   1HE   MET   1          2HE       MET   1  18.064  -7.558  -0.300
   10   2HE   MET   1          1HE       MET   1  16.863  -6.661  -1.224
   11   3HE   MET   1          3HE       MET   1  18.473  -5.984  -0.978
   12    QB   MET   1           QB       MET   1  14.616  -7.676   0.319
   13    QG   MET   1           QG       MET   1  15.935  -7.261   2.125
   14    ME   MET   1           QE       MET   1  17.800  -6.734  -0.834
   15    H    ASN   2           H        ASN   2  12.115  -7.652  -0.089
   16    HA   ASN   2           HA       ASN   2  12.018  -7.253  -2.919
   17   1HB   ASN   2          2HB       ASN   2  10.192  -8.948  -1.182
   18   2HB   ASN   2          1HB       ASN   2  10.329  -9.028  -2.926
   19   1HD2  ASN   2          1HD2      ASN   2  10.806 -11.239  -2.858
   20   2HD2  ASN   2          2HD2      ASN   2  12.311 -11.831  -2.290
   21    QB   ASN   2           QB       ASN   2  10.261  -8.988  -2.054
   22    QD   ASN   2           QD2      ASN   2  11.559 -11.535  -2.574
   23    H    VAL   3           H        VAL   3  11.304  -5.114  -3.124
   24    HA   VAL   3           HA       VAL   3   8.954  -4.165  -1.876
   25    HB   VAL   3           HB       VAL   3   9.030  -2.250  -3.425
   26   1HG1  VAL   3          3HG1      VAL   3  10.340  -2.199  -1.365
   27   2HG1  VAL   3          2HG1      VAL   3  11.682  -2.994  -2.182
   28   3HG1  VAL   3          1HG1      VAL   3  11.214  -1.362  -2.650
   29   1HG2  VAL   3          2HG2      VAL   3  11.388  -3.685  -4.643
   30   2HG2  VAL   3          1HG2      VAL   3   9.847  -3.338  -5.423
   31   3HG2  VAL   3          3HG2      VAL   3  10.933  -2.017  -4.988
   32    MG1  VAL   3           QG1      VAL   3  11.079  -2.185  -2.066
   33    MG2  VAL   3           QG2      VAL   3  10.722  -3.013  -5.018
   34    QG   VAL   3           QQG      VAL   3  10.901  -2.599  -3.542
   35    H    THR   4           H        THR   4   9.376  -6.084  -4.606
   36    HA   THR   4           HA       THR   4   6.975  -5.598  -5.959
   37    HB   THR   4           HB       THR   4   8.748  -6.981  -6.950
   38    HG1  THR   4          1HG       THR   4   7.175  -7.700  -8.063
   39   1HG2  THR   4          2HG2      THR   4   7.964  -9.058  -4.904
   40   2HG2  THR   4          1HG2      THR   4   9.083  -9.319  -6.248
   41   3HG2  THR   4          3HG2      THR   4   9.492  -8.178  -4.964
   42    MG   THR   4           QG2      THR   4   8.846  -8.851  -5.372
   43    H    LYS   5           H        LYS   5   7.628  -7.248  -2.975
   44    HA   LYS   5           HA       LYS   5   5.137  -8.653  -2.899
   45   1HB   LYS   5          2HB       LYS   5   7.012  -8.026  -0.615
   46   2HB   LYS   5          1HB       LYS   5   5.702  -9.196  -0.597
   47   1HG   LYS   5          2HG       LYS   5   6.889 -10.458  -2.394
   48   2HG   LYS   5          1HG       LYS   5   8.225  -9.328  -2.226
   49   1HD   LYS   5          2HD       LYS   5   8.890 -11.126  -0.903
   50   2HD   LYS   5          1HD       LYS   5   8.212  -9.990   0.259
   51   1HE   LYS   5          2HE       LYS   5   6.809 -12.430  -0.877
   52   2HE   LYS   5          1HE       LYS   5   7.522 -12.295   0.723
   53   1HZ   LYS   5          1HZ       LYS   5   5.863 -10.494   1.149
   54   2HZ   LYS   5          3HZ       LYS   5   5.099 -10.924  -0.312
   55   3HZ   LYS   5          2HZ       LYS   5   5.257 -12.037   0.944
   56    QB   LYS   5           QB       LYS   5   6.357  -8.611  -0.606
   57    QD   LYS   5           QD       LYS   5   8.551 -10.558  -0.322
   58    QG   LYS   5           QG       LYS   5   7.557  -9.893  -2.310
   59    QE   LYS   5           QE       LYS   5   7.165 -12.362  -0.077
   60    QZ   LYS   5           QZ       LYS   5   5.406 -11.152   0.594
   61    H    LEU   6           H        LEU   6   6.316  -5.548  -1.949
   62    HA   LEU   6           HA       LEU   6   4.109  -4.848  -0.291
   63   1HB   LEU   6          2HB       LEU   6   6.452  -3.727  -0.430
   64   2HB   LEU   6          1HB       LEU   6   5.854  -2.946  -1.873
   65    HG   LEU   6           HG       LEU   6   5.853  -1.465   0.109
   66   1HD1  LEU   6          3HD1      LEU   6   3.105  -2.039  -0.944
   67   2HD1  LEU   6          2HD1      LEU   6   3.592  -0.581  -0.080
   68   3HD1  LEU   6          1HD1      LEU   6   4.300  -0.956  -1.653
   69   1HD2  LEU   6          1HD2      LEU   6   5.400  -3.135   1.824
   70   2HD2  LEU   6          3HD2      LEU   6   4.259  -1.794   1.909
   71   3HD2  LEU   6          2HD2      LEU   6   3.754  -3.328   1.207
   72    MD1  LEU   6           QD1      LEU   6   3.666  -1.192  -0.892
   73    MD2  LEU   6           QD2      LEU   6   4.471  -2.753   1.647
   74    QB   LEU   6           QB       LEU   6   6.153  -3.337  -1.151
   75    QD   LEU   6           QQD      LEU   6   4.068  -1.972   0.377
   76    H    ASN   7           H        ASN   7   4.963  -4.488  -3.673
   77    HA   ASN   7           HA       ASN   7   2.696  -3.120  -4.601
   78   1HB   ASN   7          2HB       ASN   7   4.656  -3.385  -6.029
   79   2HB   ASN   7          1HB       ASN   7   4.461  -5.132  -6.029
   80   1HD2  ASN   7          1HD2      ASN   7   3.326  -2.120  -7.358
   81   2HD2  ASN   7          2HD2      ASN   7   2.341  -2.831  -8.572
   82    QB   ASN   7           QB       ASN   7   4.558  -4.258  -6.029
   83    QD   ASN   7           QD2      ASN   7   2.833  -2.476  -7.965
   84    H    ASP   8           H        ASP   8   3.323  -6.548  -4.196
   85    HA   ASP   8           HA       ASP   8   0.899  -7.612  -5.129
   86   1HB   ASP   8          2HB       ASP   8   2.736  -9.087  -4.758
   87   2HB   ASP   8          1HB       ASP   8   2.880  -8.596  -3.080
   88    QB   ASP   8           QB       ASP   8   2.808  -8.842  -3.919
   89    H    ARG   9           H        ARG   9   1.841  -6.473  -1.939
   90    HA   ARG   9           HA       ARG   9  -0.549  -7.065  -0.590
   91   1HB   ARG   9          2HB       ARG   9   1.490  -4.897  -0.095
   92   2HB   ARG   9          1HB       ARG   9   0.149  -5.230   0.984
   93   1HG   ARG   9          2HG       ARG   9   1.003  -7.469   1.388
   94   2HG   ARG   9          1HG       ARG   9   2.331  -7.178   0.259
   95   1HD   ARG   9          2HD       ARG   9   3.006  -6.894   2.615
   96   2HD   ARG   9          1HD       ARG   9   3.185  -5.408   1.685
   97    HE   ARG   9           HE       ARG   9   0.668  -5.361   2.818
   98   1HH1  ARG   9          1HH1      ARG   9   4.004  -5.414   4.060
   99   2HH1  ARG   9          2HH1      ARG   9   3.607  -4.485   5.437
  100   1HH2  ARG   9          1HH2      ARG   9   0.178  -4.084   4.719
  101   2HH2  ARG   9          2HH2      ARG   9   1.440  -3.722   5.807
  102    QB   ARG   9           QB       ARG   9   0.819  -5.063   0.444
  103    QG   ARG   9           QG       ARG   9   1.667  -7.323   0.823
  104    QD   ARG   9           QD       ARG   9   3.096  -6.151   2.150
  105    QH1  ARG   9           QH1      ARG   9   3.805  -4.950   4.749
  106    QH2  ARG   9           QH2      ARG   9   0.809  -3.903   5.263
  107    H    ILE  10           H        ILE  10   0.459  -4.235  -2.436
  108    HA   ILE  10           HA       ILE  10  -1.810  -2.650  -1.979
  109    HB   ILE  10           HB       ILE  10  -0.109  -2.753  -4.496
  110   1HG1  ILE  10          2HG1      ILE  10   0.120  -0.935  -2.096
  111   2HG1  ILE  10          1HG1      ILE  10   1.178  -2.303  -2.422
  112   1HG2  ILE  10          2HG2      ILE  10  -1.950  -0.577  -3.461
  113   2HG2  ILE  10          1HG2      ILE  10  -0.903  -0.439  -4.873
  114   3HG2  ILE  10          3HG2      ILE  10  -2.235  -1.593  -4.872
  115   1HD1  ILE  10          1HD1      ILE  10   0.872   0.152  -4.131
  116   2HD1  ILE  10          3HD1      ILE  10   2.214  -0.198  -3.043
  117   3HD1  ILE  10          2HD1      ILE  10   1.943  -1.207  -4.465
  118    MG   ILE  10           QG2      ILE  10  -1.696  -0.869  -4.402
  119    MD   ILE  10           QD1      ILE  10   1.677  -0.418  -3.880
  120    QG   ILE  10           QG1      ILE  10   0.649  -1.619  -2.259
  121    H    GLU  11           H        GLU  11  -1.117  -5.020  -4.534
  122    HA   GLU  11           HA       GLU  11  -3.522  -4.863  -5.939
  123   1HB   GLU  11          2HB       GLU  11  -1.680  -7.199  -5.492
  124   2HB   GLU  11          1HB       GLU  11  -3.098  -7.311  -6.524
  125   1HG   GLU  11          2HG       GLU  11  -0.775  -5.438  -6.897
  126   2HG   GLU  11          1HG       GLU  11  -1.072  -6.922  -7.802
  127    QB   GLU  11           QB       GLU  11  -2.389  -7.255  -6.008
  128    QG   GLU  11           QG       GLU  11  -0.923  -6.180  -7.350
  129    H    ALA  12           H        ALA  12  -2.712  -6.821  -3.130
  130    HA   ALA  12           HA       ALA  12  -5.157  -8.212  -2.965
  131   1HB   ALA  12          1HB       ALA  12  -3.124  -8.927  -1.797
  132   2HB   ALA  12          2HB       ALA  12  -4.488  -8.767  -0.689
  133   3HB   ALA  12          3HB       ALA  12  -3.240  -7.523  -0.737
  134    MB   ALA  12           QB       ALA  12  -3.618  -8.406  -1.074
  135    H    LYS  13           H        LYS  13  -4.094  -5.123  -1.699
  136    HA   LYS  13           HA       LYS  13  -6.370  -4.713  -0.039
  137   1HB   LYS  13          2HB       LYS  13  -4.093  -3.603   0.218
  138   2HB   LYS  13          1HB       LYS  13  -4.530  -2.581  -1.142
  139   1HG   LYS  13          2HG       LYS  13  -4.931  -1.391   0.916
  140   2HG   LYS  13          1HG       LYS  13  -6.483  -1.766   0.157
  141   1HD   LYS  13          2HD       LYS  13  -6.776  -3.679   1.639
  142   2HD   LYS  13          1HD       LYS  13  -5.196  -3.379   2.357
  143   1HE   LYS  13          2HE       LYS  13  -6.021  -1.209   3.178
  144   2HE   LYS  13          1HE       LYS  13  -7.599  -1.564   2.476
  145   1HZ   LYS  13          2HZ       LYS  13  -6.239  -3.189   4.538
  146   2HZ   LYS  13          1HZ       LYS  13  -7.523  -2.133   4.847
  147   3HZ   LYS  13          3HZ       LYS  13  -7.761  -3.500   3.866
  148    QB   LYS  13           QB       LYS  13  -4.312  -3.092  -0.462
  149    QD   LYS  13           QD       LYS  13  -5.986  -3.529   1.998
  150    QG   LYS  13           QG       LYS  13  -5.707  -1.578   0.536
  151    QE   LYS  13           QE       LYS  13  -6.810  -1.386   2.827
  152    QZ   LYS  13           QZ       LYS  13  -7.174  -2.940   4.417
  153    H    LYS  14           H        LYS  14  -5.443  -3.836  -3.282
  154    HA   LYS  14           HA       LYS  14  -7.605  -2.169  -3.944
  155   1HB   LYS  14          2HB       LYS  14  -5.780  -3.898  -5.618
  156   2HB   LYS  14          1HB       LYS  14  -7.017  -2.874  -6.341
  157   1HG   LYS  14          2HG       LYS  14  -6.001  -0.910  -5.553
  158   2HG   LYS  14          1HG       LYS  14  -4.957  -1.792  -4.449
  159   1HD   LYS  14          2HD       LYS  14  -3.714  -0.904  -6.356
  160   2HD   LYS  14          1HD       LYS  14  -3.688  -2.658  -6.335
  161   1HE   LYS  14          2HE       LYS  14  -5.709  -1.196  -8.005
  162   2HE   LYS  14          1HE       LYS  14  -4.051  -1.369  -8.569
  163   1HZ   LYS  14          3HZ       LYS  14  -5.851  -3.640  -7.850
  164   2HZ   LYS  14          2HZ       LYS  14  -5.460  -3.154  -9.407
  165   3HZ   LYS  14          1HZ       LYS  14  -4.253  -3.736  -8.387
  166    QB   LYS  14           QB       LYS  14  -6.399  -3.386  -5.980
  167    QD   LYS  14           QD       LYS  14  -3.701  -1.781  -6.345
  168    QG   LYS  14           QG       LYS  14  -5.479  -1.351  -5.001
  169    QE   LYS  14           QE       LYS  14  -4.880  -1.283  -8.287
  170    QZ   LYS  14           QZ       LYS  14  -5.188  -3.510  -8.548
  171    H    LYS  15           H        LYS  15  -7.173  -5.647  -4.410
  172    HA   LYS  15           HA       LYS  15  -9.676  -6.276  -5.519
  173   1HB   LYS  15          2HB       LYS  15  -7.945  -7.900  -3.662
  174   2HB   LYS  15          1HB       LYS  15  -9.278  -8.535  -4.616
  175   1HG   LYS  15          2HG       LYS  15  -8.093  -8.040  -6.665
  176   2HG   LYS  15          1HG       LYS  15  -6.810  -7.237  -5.760
  177   1HD   LYS  15          2HD       LYS  15  -6.071  -9.440  -6.376
  178   2HD   LYS  15          1HD       LYS  15  -6.312  -9.381  -4.631
  179   1HE   LYS  15          2HE       LYS  15  -7.213 -11.449  -5.410
  180   2HE   LYS  15          1HE       LYS  15  -8.560 -10.385  -5.004
  181   1HZ   LYS  15          1HZ       LYS  15  -7.533 -10.762  -7.760
  182   2HZ   LYS  15          3HZ       LYS  15  -8.847 -11.592  -7.125
  183   3HZ   LYS  15          2HZ       LYS  15  -8.925  -9.927  -7.315
  184    QB   LYS  15           QB       LYS  15  -8.611  -8.218  -4.139
  185    QD   LYS  15           QD       LYS  15  -6.192  -9.410  -5.503
  186    QG   LYS  15           QG       LYS  15  -7.451  -7.639  -6.212
  187    QE   LYS  15           QE       LYS  15  -7.886 -10.917  -5.207
  188    QZ   LYS  15           QZ       LYS  15  -8.435 -10.760  -7.400
  189    H    GLU  16           H        GLU  16  -8.612  -5.960  -2.202
  190    HA   GLU  16           HA       GLU  16 -10.970  -6.809  -0.922
  191   1HB   GLU  16          2HB       GLU  16  -8.800  -6.728   0.201
  192   2HB   GLU  16          1HB       GLU  16  -8.763  -4.983   0.027
  193   1HG   GLU  16          2HG       GLU  16 -10.711  -4.800   1.483
  194   2HG   GLU  16          1HG       GLU  16 -10.734  -6.551   1.674
  195    QB   GLU  16           QB       GLU  16  -8.782  -5.856   0.114
  196    QG   GLU  16           QG       GLU  16 -10.722  -5.676   1.579
  197    H    LEU  17           H        LEU  17  -9.699  -3.563  -1.654
  198    HA   LEU  17           HA       LEU  17 -11.799  -2.138  -0.514
  199   1HB   LEU  17          2HB       LEU  17  -9.659  -1.103  -1.085
  200   2HB   LEU  17          1HB       LEU  17 -10.013  -1.290  -2.792
  201    HG   LEU  17           HG       LEU  17 -11.903   0.279  -2.571
  202   1HD1  LEU  17          2HD1      LEU  17 -10.966   0.546   0.272
  203   2HD1  LEU  17          1HD1      LEU  17 -12.153   1.592  -0.515
  204   3HD1  LEU  17          3HD1      LEU  17 -12.506  -0.116  -0.266
  205   1HD2  LEU  17          2HD2      LEU  17  -9.302   1.330  -1.492
  206   2HD2  LEU  17          1HD2      LEU  17  -9.719   1.139  -3.200
  207   3HD2  LEU  17          3HD2      LEU  17 -10.589   2.304  -2.198
  208    MD1  LEU  17           QD1      LEU  17 -11.875   0.674  -0.169
  209    MD2  LEU  17           QD2      LEU  17  -9.870   1.591  -2.297
  210    QB   LEU  17           QB       LEU  17  -9.836  -1.196  -1.939
  211    QD   LEU  17           QQD      LEU  17 -10.872   1.133  -1.233
  212    H    ILE  18           H        ILE  18 -11.420  -3.306  -3.824
  213    HA   ILE  18           HA       ILE  18 -13.714  -2.148  -4.925
  214    HB   ILE  18           HB       ILE  18 -12.441  -4.834  -5.577
  215   1HG1  ILE  18          2HG1      ILE  18 -12.220  -2.141  -6.940
  216   2HG1  ILE  18          1HG1      ILE  18 -10.999  -2.855  -5.897
  217   1HG2  ILE  18          3HG2      ILE  18 -14.762  -4.812  -6.357
  218   2HG2  ILE  18          2HG2      ILE  18 -14.471  -3.288  -7.197
  219   3HG2  ILE  18          1HG2      ILE  18 -13.638  -4.750  -7.717
  220   1HD1  ILE  18          1HD1      ILE  18 -11.938  -3.965  -8.530
  221   2HD1  ILE  18          3HD1      ILE  18 -10.428  -3.098  -8.245
  222   3HD1  ILE  18          2HD1      ILE  18 -10.697  -4.672  -7.494
  223    MG   ILE  18           QG2      ILE  18 -14.291  -4.283  -7.090
  224    MD   ILE  18           QD1      ILE  18 -11.021  -3.911  -8.089
  225    QG   ILE  18           QG1      ILE  18 -11.610  -2.498  -6.419
  226    H    TYR  19           H        TYR  19 -13.340  -5.151  -3.125
  227    HA   TYR  19           HA       TYR  19 -16.047  -5.967  -3.262
  228   1HB   TYR  19          2HB       TYR  19 -14.306  -7.559  -2.749
  229   2HB   TYR  19          1HB       TYR  19 -13.815  -6.638  -1.337
  230    HD1  TYR  19          1HD       TYR  19 -16.657  -8.587  -2.734
  231    HD2  TYR  19          2HD       TYR  19 -14.695  -7.167   0.761
  232    HE1  TYR  19          1HE       TYR  19 -18.119  -9.995  -1.346
  233    HE2  TYR  19          2HE       TYR  19 -16.151  -8.564   2.157
  234    HH   TYR  19           HH       TYR  19 -18.105 -11.009   0.813
  235    QB   TYR  19           QB       TYR  19 -14.061  -7.099  -2.043
  236    QD   TYR  19           QD       TYR  19 -15.676  -7.877  -0.987
  237    QE   TYR  19           QE       TYR  19 -17.135  -9.280   0.405
  238    QR   TYR  19           QR       TYR  19 -16.405  -8.578  -0.291
  239    H    LEU  20           H        LEU  20 -14.216  -4.052  -0.949
  240    HA   LEU  20           HA       LEU  20 -16.249  -3.817   0.986
  241   1HB   LEU  20          2HB       LEU  20 -13.903  -2.000   0.458
  242   2HB   LEU  20          1HB       LEU  20 -14.890  -1.977   1.906
  243    HG   LEU  20           HG       LEU  20 -13.183  -4.305   1.022
  244   1HD1  LEU  20          3HD1      LEU  20 -12.724  -2.278   3.173
  245   2HD1  LEU  20          2HD1      LEU  20 -11.768  -3.730   2.923
  246   3HD1  LEU  20          1HD1      LEU  20 -11.798  -2.468   1.687
  247   1HD2  LEU  20          2HD2      LEU  20 -14.719  -3.854   3.574
  248   2HD2  LEU  20          1HD2      LEU  20 -15.120  -5.027   2.316
  249   3HD2  LEU  20          3HD2      LEU  20 -13.637  -5.205   3.252
  250    MD1  LEU  20           QD1      LEU  20 -12.096  -2.825   2.594
  251    MD2  LEU  20           QD2      LEU  20 -14.492  -4.695   3.047
  252    QB   LEU  20           QB       LEU  20 -14.397  -1.989   1.182
  253    QD   LEU  20           QQD      LEU  20 -13.294  -3.760   2.821
  254    H    VAL  21           H        VAL  21 -15.423  -1.812  -1.794
  255    HA   VAL  21           HA       VAL  21 -17.300   0.242  -1.302
  256    HB   VAL  21           HB       VAL  21 -16.272  -0.764  -3.983
  257   1HG1  VAL  21          2HG1      VAL  21 -17.660   1.828  -3.302
  258   2HG1  VAL  21          1HG1      VAL  21 -16.932   1.447  -4.864
  259   3HG1  VAL  21          3HG1      VAL  21 -18.315   0.519  -4.285
  260   1HG2  VAL  21          3HG2      VAL  21 -15.334   1.531  -2.261
  261   2HG2  VAL  21          2HG2      VAL  21 -14.469   0.019  -2.554
  262   3HG2  VAL  21          1HG2      VAL  21 -14.736   1.151  -3.876
  263    MG1  VAL  21           QG1      VAL  21 -17.636   1.265  -4.150
  264    MG2  VAL  21           QG2      VAL  21 -14.846   0.900  -2.897
  265    QG   VAL  21           QQG      VAL  21 -16.241   1.082  -3.523
  266    H    GLU  22           H        GLU  22 -17.562  -2.858  -2.892
  267    HA   GLU  22           HA       GLU  22 -20.207  -2.542  -3.823
  268   1HB   GLU  22          2HB       GLU  22 -18.662  -5.037  -3.147
  269   2HB   GLU  22          1HB       GLU  22 -20.238  -5.034  -3.920
  270   1HG   GLU  22          2HG       GLU  22 -17.742  -3.786  -5.018
  271   2HG   GLU  22          1HG       GLU  22 -18.421  -5.333  -5.514
  272    QB   GLU  22           QB       GLU  22 -19.450  -5.035  -3.534
  273    QG   GLU  22           QG       GLU  22 -18.082  -4.560  -5.266
  274    H    LYS  23           H        LYS  23 -18.866  -3.749  -0.818
  275    HA   LYS  23           HA       LYS  23 -21.467  -4.580   0.087
  276   1HB   LYS  23          2HB       LYS  23 -18.876  -4.550   1.615
  277   2HB   LYS  23          1HB       LYS  23 -20.372  -5.297   2.153
  278   1HG   LYS  23          2HG       LYS  23 -18.649  -6.110  -0.182
  279   2HG   LYS  23          1HG       LYS  23 -18.930  -7.006   1.306
  280   1HD   LYS  23          2HD       LYS  23 -21.008  -6.379  -0.802
  281   2HD   LYS  23          1HD       LYS  23 -20.189  -7.918  -0.585
  282   1HE   LYS  23          2HE       LYS  23 -21.215  -8.199   1.601
  283   2HE   LYS  23          1HE       LYS  23 -21.961  -6.605   1.481
  284   1HZ   LYS  23          3HZ       LYS  23 -23.221  -7.380  -0.416
  285   2HZ   LYS  23          2HZ       LYS  23 -22.513  -8.908  -0.301
  286   3HZ   LYS  23          1HZ       LYS  23 -23.519  -8.353   0.927
  287    QB   LYS  23           QB       LYS  23 -19.624  -4.924   1.884
  288    QD   LYS  23           QD       LYS  23 -20.599  -7.149  -0.693
  289    QG   LYS  23           QG       LYS  23 -18.790  -6.558   0.562
  290    QE   LYS  23           QE       LYS  23 -21.588  -7.402   1.541
  291    QZ   LYS  23           QZ       LYS  23 -23.085  -8.214   0.070
  292    H    TYR  24           H        TYR  24 -19.241  -1.984   1.010
  293    HA   TYR  24           HA       TYR  24 -21.225  -1.091   2.969
  294   1HB   TYR  24          2HB       TYR  24 -18.387  -0.189   2.494
  295   2HB   TYR  24          1HB       TYR  24 -19.444   0.445   3.746
  296    HD1  TYR  24          1HD       TYR  24 -17.499  -2.477   2.633
  297    HD2  TYR  24          2HD       TYR  24 -19.833  -0.803   5.767
  298    HE1  TYR  24          1HE       TYR  24 -16.694  -4.225   4.161
  299    HE2  TYR  24          2HE       TYR  24 -19.032  -2.544   7.298
  300    HH   TYR  24           HH       TYR  24 -18.119  -4.752   7.188
  301    QB   TYR  24           QB       TYR  24 -18.916   0.128   3.120
  302    QD   TYR  24           QD       TYR  24 -18.666  -1.640   4.200
  303    QE   TYR  24           QE       TYR  24 -17.863  -3.384   5.730
  304    QR   TYR  24           QR       TYR  24 -18.264  -2.512   4.965
  305    H    GLY  25           H        GLY  25 -19.553   0.025   0.072
  306   1HA   GLY  25          1HA       GLY  25 -21.218   2.439   0.130
  307   2HA   GLY  25          2HA       GLY  25 -21.017   1.469  -1.330
  308    QA   GLY  25           QA       GLY  25 -21.118   1.954  -0.600
  309    H    PHE  26           H        PHE  26 -20.313   4.066  -1.436
  310    HA   PHE  26           HA       PHE  26 -17.390   3.901  -1.378
  311   1HB   PHE  26          2HB       PHE  26 -17.330   5.441  -3.332
  312   2HB   PHE  26          1HB       PHE  26 -18.105   3.905  -3.674
  313    HD1  PHE  26          1HD       PHE  26 -18.460   7.486  -3.610
  314    HD2  PHE  26          2HD       PHE  26 -20.601   3.819  -3.881
  315    HE1  PHE  26          1HE       PHE  26 -20.395   8.688  -4.531
  316    HE2  PHE  26          2HE       PHE  26 -22.541   5.012  -4.801
  317    HZ   PHE  26           HZ       PHE  26 -22.439   7.453  -5.132
  318    QB   PHE  26           QB       PHE  26 -17.717   4.673  -3.503
  319    QD   PHE  26           QD       PHE  26 -19.530   5.653  -3.746
  320    QE   PHE  26           QE       PHE  26 -21.468   6.850  -4.666
  321    QR   PHE  26           QR       PHE  26 -20.887   6.492  -4.391
  322    H    THR  27           H        THR  27 -20.124   5.916  -0.512
  323    HA   THR  27           HA       THR  27 -18.323   8.041   0.286
  324    HB   THR  27           HB       THR  27 -20.532   9.097   1.118
  325    HG1  THR  27          1HG       THR  27 -22.053   7.685  -0.629
  326   1HG2  THR  27          3HG2      THR  27 -20.187   8.495  -1.827
  327   2HG2  THR  27          2HG2      THR  27 -21.162   9.802  -1.157
  328   3HG2  THR  27          1HG2      THR  27 -19.411   9.808  -0.943
  329    MG   THR  27           QG2      THR  27 -20.253   9.368  -1.309
  330    H    HIS  28           H        HIS  28 -19.122   5.214   1.516
  331    HA   HIS  28           HA       HIS  28 -19.652   5.681   4.270
  332   1HB   HIS  28          2HB       HIS  28 -20.046   3.519   3.068
  333   2HB   HIS  28          1HB       HIS  28 -18.317   3.332   2.872
  334    HD1  HIS  28          1HD       HIS  28 -21.092   2.627   5.212
  335    HD2  HIS  28          2HD       HIS  28 -16.943   2.701   5.312
  336    HE1  HIS  28          1HE       HIS  28 -20.421   1.325   7.245
  337    QB   HIS  28           QB       HIS  28 -19.181   3.425   2.970
  338    H    HIS  29           H        HIS  29 -18.227   6.309   5.852
  339    HA   HIS  29           HA       HIS  29 -15.824   7.493   5.068
  340   1HB   HIS  29          2HB       HIS  29 -16.786   6.920   7.875
  341   2HB   HIS  29          1HB       HIS  29 -15.360   7.874   7.491
  342    HD1  HIS  29          1HD       HIS  29 -18.275   8.741   8.816
  343    HD2  HIS  29          2HD       HIS  29 -16.665   9.704   5.111
  344    HE1  HIS  29          1HE       HIS  29 -19.401  10.869   8.096
  345    QB   HIS  29           QB       HIS  29 -16.073   7.397   7.683
  346    H    LYS  30           H        LYS  30 -16.272   4.373   6.650
  347    HA   LYS  30           HA       LYS  30 -13.504   3.951   6.987
  348   1HB   LYS  30          2HB       LYS  30 -15.760   1.948   6.846
  349   2HB   LYS  30          1HB       LYS  30 -14.089   1.491   7.131
  350   1HG   LYS  30          2HG       LYS  30 -15.752   3.296   8.879
  351   2HG   LYS  30          1HG       LYS  30 -15.346   1.611   9.211
  352   1HD   LYS  30          2HD       LYS  30 -12.934   2.245   9.211
  353   2HD   LYS  30          1HD       LYS  30 -13.412   3.927   8.997
  354   1HE   LYS  30          2HE       LYS  30 -12.928   3.470  11.330
  355   2HE   LYS  30          1HE       LYS  30 -14.633   3.851  11.113
  356   1HZ   LYS  30          3HZ       LYS  30 -15.123   1.467  11.198
  357   2HZ   LYS  30          2HZ       LYS  30 -13.488   1.129  11.414
  358   3HZ   LYS  30          1HZ       LYS  30 -14.318   1.964  12.586
  359    QB   LYS  30           QB       LYS  30 -14.924   1.719   6.988
  360    QD   LYS  30           QD       LYS  30 -13.173   3.086   9.104
  361    QG   LYS  30           QG       LYS  30 -15.549   2.453   9.045
  362    QE   LYS  30           QE       LYS  30 -13.781   3.661  11.222
  363    QZ   LYS  30           QZ       LYS  30 -14.309   1.520  11.733
  364    H    VAL  31           H        VAL  31 -15.599   3.399   4.268
  365    HA   VAL  31           HA       VAL  31 -13.730   1.876   2.774
  366    HB   VAL  31           HB       VAL  31 -16.060   3.582   1.818
  367   1HG1  VAL  31          2HG1      VAL  31 -14.442   1.534   0.288
  368   2HG1  VAL  31          1HG1      VAL  31 -15.895   2.346  -0.295
  369   3HG1  VAL  31          3HG1      VAL  31 -14.428   3.278   0.009
  370   1HG2  VAL  31          3HG2      VAL  31 -16.697   1.710   3.236
  371   2HG2  VAL  31          2HG2      VAL  31 -17.201   1.438   1.568
  372   3HG2  VAL  31          1HG2      VAL  31 -15.785   0.609   2.208
  373    MG1  VAL  31           QG1      VAL  31 -14.922   2.386   0.001
  374    MG2  VAL  31           QG2      VAL  31 -16.561   1.252   2.337
  375    QG   VAL  31           QQG      VAL  31 -15.741   1.819   1.169
  376    H    ILE  32           H        ILE  32 -14.426   5.295   3.025
  377    HA   ILE  32           HA       ILE  32 -12.514   6.192   1.155
  378    HB   ILE  32           HB       ILE  32 -13.516   7.622   3.648
  379   1HG1  ILE  32          2HG1      ILE  32 -14.542   7.756   0.800
  380   2HG1  ILE  32          1HG1      ILE  32 -15.322   6.879   2.109
  381   1HG2  ILE  32          3HG2      ILE  32 -11.487   8.662   2.728
  382   2HG2  ILE  32          2HG2      ILE  32 -12.238   8.736   1.134
  383   3HG2  ILE  32          1HG2      ILE  32 -12.895   9.695   2.458
  384   1HD1  ILE  32          1HD1      ILE  32 -14.893   9.851   1.974
  385   2HD1  ILE  32          3HD1      ILE  32 -16.409   8.999   1.686
  386   3HD1  ILE  32          2HD1      ILE  32 -15.680   8.982   3.292
  387    MG   ILE  32           QG2      ILE  32 -12.207   9.031   2.107
  388    MD   ILE  32           QD1      ILE  32 -15.660   9.277   2.317
  389    QG   ILE  32           QG1      ILE  32 -14.932   7.318   1.454
  390    H    SER  33           H        SER  33 -12.335   5.393   4.570
  391    HA   SER  33           HA       SER  33  -9.676   6.205   5.020
  392   1HB   SER  33          2HB       SER  33 -11.326   5.732   6.826
  393   2HB   SER  33          1HB       SER  33 -11.256   4.025   6.414
  394    HG   SER  33           HG       SER  33  -8.808   4.519   6.801
  395    QB   SER  33           QB       SER  33 -11.291   4.878   6.620
  396    H    PHE  34           H        PHE  34 -11.090   3.176   3.835
  397    HA   PHE  34           HA       PHE  34  -8.608   1.780   3.784
  398   1HB   PHE  34          2HB       PHE  34 -11.116   1.207   2.193
  399   2HB   PHE  34          1HB       PHE  34  -9.765   0.099   2.395
  400    HD1  PHE  34          1HD       PHE  34 -12.859   0.027   3.084
  401    HD2  PHE  34          2HD       PHE  34  -9.303   0.494   5.353
  402    HE1  PHE  34          1HE       PHE  34 -14.011  -0.886   5.044
  403    HE2  PHE  34          2HE       PHE  34 -10.437  -0.422   7.334
  404    HZ   PHE  34           HZ       PHE  34 -12.798  -1.113   7.190
  405    QB   PHE  34           QB       PHE  34 -10.440   0.653   2.294
  406    QD   PHE  34           QD       PHE  34 -11.081   0.261   4.219
  407    QE   PHE  34           QE       PHE  34 -12.224  -0.654   6.189
  408    QR   PHE  34           QR       PHE  34 -11.882  -0.380   5.601
  409    H    SER  35           H        SER  35 -10.314   3.839   1.574
  410    HA   SER  35           HA       SER  35  -8.685   3.394  -0.686
  411   1HB   SER  35          2HB       SER  35 -10.214   5.893   0.108
  412   2HB   SER  35          1HB       SER  35  -9.608   5.531  -1.508
  413    HG   SER  35           HG       SER  35 -11.553   3.992  -0.080
  414    QB   SER  35           QB       SER  35  -9.911   5.712  -0.700
  415    H    GLN  36           H        GLN  36  -8.482   5.578   2.086
  416    HA   GLN  36           HA       GLN  36  -6.166   6.961   1.319
  417   1HB   GLN  36          2HB       GLN  36  -7.160   6.293   4.101
  418   2HB   GLN  36          1HB       GLN  36  -5.875   7.436   3.753
  419   1HG   GLN  36          2HG       GLN  36  -7.463   8.850   2.537
  420   2HG   GLN  36          1HG       GLN  36  -8.747   7.690   2.880
  421   1HE2  GLN  36          1HE2      GLN  36  -9.963   9.185   4.018
  422   2HE2  GLN  36          2HE2      GLN  36  -9.503   9.763   5.584
  423    QB   GLN  36           QB       GLN  36  -6.517   6.865   3.927
  424    QG   GLN  36           QG       GLN  36  -8.105   8.270   2.708
  425    QE   GLN  36           QE2      GLN  36  -9.733   9.474   4.801
  426    H    GLU  37           H        GLU  37  -6.654   3.921   2.989
  427    HA   GLU  37           HA       GLU  37  -3.960   3.373   3.586
  428   1HB   GLU  37          2HB       GLU  37  -6.318   1.555   3.191
  429   2HB   GLU  37          1HB       GLU  37  -4.723   0.957   3.630
  430   1HG   GLU  37          2HG       GLU  37  -6.313   2.952   5.208
  431   2HG   GLU  37          1HG       GLU  37  -6.218   1.223   5.554
  432    QB   GLU  37           QB       GLU  37  -5.521   1.256   3.410
  433    QG   GLU  37           QG       GLU  37  -6.265   2.088   5.381
  434    H    LEU  38           H        LEU  38  -5.913   2.595   0.751
  435    HA   LEU  38           HA       LEU  38  -4.049   1.008  -0.623
  436   1HB   LEU  38          2HB       LEU  38  -6.501   1.368  -1.177
  437   2HB   LEU  38          1HB       LEU  38  -6.073   2.930  -1.823
  438    HG   LEU  38           HG       LEU  38  -5.109   0.290  -2.970
  439   1HD1  LEU  38          3HD1      LEU  38  -7.383   2.073  -3.779
  440   2HD1  LEU  38          2HD1      LEU  38  -6.778   0.735  -4.742
  441   3HD1  LEU  38          1HD1      LEU  38  -7.498   0.433  -3.155
  442   1HD2  LEU  38          3HD2      LEU  38  -3.672   2.215  -3.564
  443   2HD2  LEU  38          2HD2      LEU  38  -4.559   1.609  -4.964
  444   3HD2  LEU  38          1HD2      LEU  38  -5.093   3.079  -4.153
  445    MD1  LEU  38           QD1      LEU  38  -7.220   1.081  -3.892
  446    MD2  LEU  38           QD2      LEU  38  -4.441   2.301  -4.227
  447    QB   LEU  38           QB       LEU  38  -6.287   2.149  -1.500
  448    QD   LEU  38           QQD      LEU  38  -5.831   1.691  -4.060
  449    H    ASP  39           H        ASP  39  -4.710   4.466  -0.823
  450    HA   ASP  39           HA       ASP  39  -2.633   5.208  -2.551
  451   1HB   ASP  39          2HB       ASP  39  -4.408   6.751  -2.161
  452   2HB   ASP  39          1HB       ASP  39  -4.135   6.728  -0.425
  453    QB   ASP  39           QB       ASP  39  -4.271   6.740  -1.293
  454    H    ARG  40           H        ARG  40  -2.730   4.931   0.922
  455    HA   ARG  40           HA       ARG  40  -0.190   5.977   1.504
  456   1HB   ARG  40          2HB       ARG  40  -1.941   5.789   3.164
  457   2HB   ARG  40          1HB       ARG  40  -1.961   4.048   2.993
  458   1HG   ARG  40          2HG       ARG  40   0.089   3.826   4.137
  459   2HG   ARG  40          1HG       ARG  40   0.415   5.564   4.025
  460   1HD   ARG  40          2HD       ARG  40  -1.954   4.392   5.486
  461   2HD   ARG  40          1HD       ARG  40  -0.433   4.830   6.276
  462    HE   ARG  40           HE       ARG  40  -0.859   7.113   5.316
  463   1HH1  ARG  40          1HH1      ARG  40  -3.654   5.042   6.158
  464   2HH1  ARG  40          2HH1      ARG  40  -4.640   6.371   6.529
  465   1HH2  ARG  40          1HH2      ARG  40  -2.241   8.861   5.809
  466   2HH2  ARG  40          2HH2      ARG  40  -3.839   8.618   6.326
  467    QB   ARG  40           QB       ARG  40  -1.951   4.918   3.079
  468    QG   ARG  40           QG       ARG  40   0.252   4.695   4.081
  469    QD   ARG  40           QD       ARG  40  -1.193   4.611   5.881
  470    QH1  ARG  40           QH1      ARG  40  -4.147   5.706   6.344
  471    QH2  ARG  40           QH2      ARG  40  -3.040   8.739   6.067
  472    H    LEU  41           H        LEU  41  -1.263   2.649   0.872
  473    HA   LEU  41           HA       LEU  41   1.268   1.448   1.254
  474   1HB   LEU  41          2HB       LEU  41  -1.057   0.531  -0.444
  475   2HB   LEU  41          1HB       LEU  41   0.353  -0.440  -0.070
  476    HG   LEU  41           HG       LEU  41  -1.675   0.553   1.934
  477   1HD1  LEU  41          3HD1      LEU  41  -2.570  -1.167   0.471
  478   2HD1  LEU  41          2HD1      LEU  41  -1.185  -2.202   0.817
  479   3HD1  LEU  41          1HD1      LEU  41  -2.322  -1.793   2.102
  480   1HD2  LEU  41          3HD2      LEU  41   0.709  -1.273   2.268
  481   2HD2  LEU  41          2HD2      LEU  41   0.543   0.357   2.928
  482   3HD2  LEU  41          1HD2      LEU  41  -0.509  -0.935   3.499
  483    MD1  LEU  41           QD1      LEU  41  -2.026  -1.721   1.130
  484    MD2  LEU  41           QD2      LEU  41   0.248  -0.617   2.898
  485    QB   LEU  41           QB       LEU  41  -0.352   0.045  -0.257
  486    QD   LEU  41           QQD      LEU  41  -0.889  -1.169   2.014
  487    H    LEU  42           H        LEU  42  -0.356   2.714  -1.600
  488    HA   LEU  42           HA       LEU  42   1.601   2.041  -3.488
  489   1HB   LEU  42          2HB       LEU  42  -0.622   2.788  -4.116
  490   2HB   LEU  42          1HB       LEU  42  -0.317   4.375  -3.438
  491    HG   LEU  42           HG       LEU  42   1.400   4.756  -5.185
  492   1HD1  LEU  42          1HD1      LEU  42   0.450   2.115  -6.279
  493   2HD1  LEU  42          3HD1      LEU  42   1.526   3.249  -7.095
  494   3HD1  LEU  42          2HD1      LEU  42   2.048   2.456  -5.611
  495   1HD2  LEU  42          3HD2      LEU  42  -0.900   5.518  -5.512
  496   2HD2  LEU  42          2HD2      LEU  42  -0.159   5.038  -7.038
  497   3HD2  LEU  42          1HD2      LEU  42  -1.312   3.968  -6.243
  498    MD1  LEU  42           QD1      LEU  42   1.341   2.607  -6.328
  499    MD2  LEU  42           QD2      LEU  42  -0.790   4.842  -6.264
  500    QB   LEU  42           QB       LEU  42  -0.469   3.581  -3.777
  501    QD   LEU  42           QQD      LEU  42   0.276   3.724  -6.296
  502    H    ASN  43           H        ASN  43   1.257   4.855  -1.439
  503    HA   ASN  43           HA       ASN  43   3.469   6.225  -2.535
  504   1HB   ASN  43          2HB       ASN  43   1.767   6.688  -0.148
  505   2HB   ASN  43          1HB       ASN  43   3.323   7.512  -0.239
  506   1HD2  ASN  43          1HD2      ASN  43   0.189   7.145  -1.702
  507   2HD2  ASN  43          2HD2      ASN  43   0.251   8.574  -2.652
  508    QB   ASN  43           QB       ASN  43   2.545   7.100  -0.194
  509    QD   ASN  43           QD2      ASN  43   0.220   7.860  -2.177
  510    H    LEU  44           H        LEU  44   3.320   3.659  -0.323
  511    HA   LEU  44           HA       LEU  44   5.765   4.145   1.010
  512   1HB   LEU  44          2HB       LEU  44   4.365   1.562   0.351
  513   2HB   LEU  44          1HB       LEU  44   5.797   1.644   1.366
  514    HG   LEU  44           HG       LEU  44   3.098   2.864   1.976
  515   1HD1  LEU  44          1HD1      LEU  44   4.514   0.487   3.166
  516   2HD1  LEU  44          3HD1      LEU  44   2.991   1.168   3.735
  517   3HD1  LEU  44          2HD1      LEU  44   3.086   0.437   2.131
  518   1HD2  LEU  44          2HD2      LEU  44   5.621   2.747   3.631
  519   2HD2  LEU  44          1HD2      LEU  44   4.902   4.200   2.937
  520   3HD2  LEU  44          3HD2      LEU  44   4.052   3.310   4.201
  521    MD1  LEU  44           QD1      LEU  44   3.530   0.698   3.011
  522    MD2  LEU  44           QD2      LEU  44   4.858   3.419   3.590
  523    QB   LEU  44           QB       LEU  44   5.081   1.603   0.858
  524    QD   LEU  44           QQD      LEU  44   4.194   2.058   3.300
  525    H    LEU  45           H        LEU  45   4.947   2.603  -2.055
  526    HA   LEU  45           HA       LEU  45   7.544   1.714  -2.734
  527   1HB   LEU  45          2HB       LEU  45   5.310   2.640  -4.548
  528   2HB   LEU  45          1HB       LEU  45   6.745   1.801  -5.085
  529    HG   LEU  45           HG       LEU  45   4.603   0.647  -3.298
  530   1HD1  LEU  45          1HD1      LEU  45   5.262   0.153  -6.200
  531   2HD1  LEU  45          3HD1      LEU  45   4.077  -0.741  -5.251
  532   3HD1  LEU  45          2HD1      LEU  45   3.834   0.973  -5.576
  533   1HD2  LEU  45          1HD2      LEU  45   7.050  -0.633  -4.529
  534   2HD2  LEU  45          3HD2      LEU  45   6.783  -0.334  -2.808
  535   3HD2  LEU  45          2HD2      LEU  45   5.771  -1.489  -3.676
  536    MD1  LEU  45           QD1      LEU  45   4.391   0.128  -5.676
  537    MD2  LEU  45           QD2      LEU  45   6.535  -0.819  -3.671
  538    QB   LEU  45           QB       LEU  45   6.027   2.220  -4.816
  539    QD   LEU  45           QQD      LEU  45   5.463  -0.345  -4.673
  540    H    ILE  46           H        ILE  46   5.782   4.660  -3.431
  541    HA   ILE  46           HA       ILE  46   7.763   5.984  -4.877
  542    HB   ILE  46           HB       ILE  46   5.387   7.018  -3.321
  543   1HG1  ILE  46          2HG1      ILE  46   4.615   7.767  -5.583
  544   2HG1  ILE  46          1HG1      ILE  46   6.057   7.049  -6.278
  545   1HG2  ILE  46          2HG2      ILE  46   7.038   8.758  -3.043
  546   2HG2  ILE  46          1HG2      ILE  46   7.344   8.783  -4.779
  547   3HG2  ILE  46          3HG2      ILE  46   5.773   9.289  -4.154
  548   1HD1  ILE  46          1HD1      ILE  46   5.287   4.846  -5.536
  549   2HD1  ILE  46          3HD1      ILE  46   3.837   5.586  -4.864
  550   3HD1  ILE  46          2HD1      ILE  46   4.127   5.626  -6.604
  551    MG   ILE  46           QG2      ILE  46   6.718   8.943  -3.992
  552    MD   ILE  46           QD1      ILE  46   4.417   5.352  -5.668
  553    QG   ILE  46           QG1      ILE  46   5.336   7.408  -5.931
  554    H    GLU  47           H        GLU  47   7.088   6.094  -1.387
  555    HA   GLU  47           HA       GLU  47   9.095   7.918  -0.750
  556   1HB   GLU  47          2HB       GLU  47   7.781   5.794   0.885
  557   2HB   GLU  47          1HB       GLU  47   9.063   6.799   1.538
  558   1HG   GLU  47          2HG       GLU  47   7.686   8.790   0.987
  559   2HG   GLU  47          1HG       GLU  47   6.379   7.693   0.525
  560    QB   GLU  47           QB       GLU  47   8.422   6.296   1.212
  561    QG   GLU  47           QG       GLU  47   7.032   8.241   0.756
  562    H    LEU  48           H        LEU  48   9.264   4.351  -0.614
  563    HA   LEU  48           HA       LEU  48  11.953   4.419   0.228
  564   1HB   LEU  48          2HB       LEU  48  10.268   2.212  -0.901
  565   2HB   LEU  48          1HB       LEU  48  11.982   1.968  -0.675
  566    HG   LEU  48           HG       LEU  48  10.783   1.015   1.185
  567   1HD1  LEU  48          1HD1      LEU  48  12.944   1.978   1.678
  568   2HD1  LEU  48          3HD1      LEU  48  12.185   3.531   2.052
  569   3HD1  LEU  48          2HD1      LEU  48  11.845   2.119   3.047
  570   1HD2  LEU  48          3HD2      LEU  48   8.745   2.370   1.129
  571   2HD2  LEU  48          2HD2      LEU  48   9.454   2.363   2.745
  572   3HD2  LEU  48          1HD2      LEU  48   9.656   3.768   1.697
  573    MD1  LEU  48           QD1      LEU  48  12.324   2.543   2.259
  574    MD2  LEU  48           QD2      LEU  48   9.285   2.834   1.857
  575    QB   LEU  48           QB       LEU  48  11.125   2.090  -0.788
  576    QD   LEU  48           QQD      LEU  48  10.805   2.688   2.058
  577    H    LYS  49           H        LYS  49  10.555   4.416  -2.919
  578    HA   LYS  49           HA       LYS  49  12.884   3.959  -4.453
  579   1HB   LYS  49          2HB       LYS  49  10.541   3.875  -5.276
  580   2HB   LYS  49          1HB       LYS  49  10.437   5.611  -5.079
  581   1HG   LYS  49          2HG       LYS  49  12.232   5.857  -6.768
  582   2HG   LYS  49          1HG       LYS  49  12.175   4.110  -7.028
  583   1HD   LYS  49          2HD       LYS  49   9.739   4.331  -7.540
  584   2HD   LYS  49          1HD       LYS  49   9.926   6.079  -7.444
  585   1HE   LYS  49          2HE       LYS  49   9.998   5.417  -9.751
  586   2HE   LYS  49          1HE       LYS  49  11.608   5.941  -9.264
  587   1HZ   LYS  49          3HZ       LYS  49  10.712   3.113  -9.426
  588   2HZ   LYS  49          2HZ       LYS  49  11.671   3.894 -10.573
  589   3HZ   LYS  49          1HZ       LYS  49  12.259   3.636  -9.035
  590    QB   LYS  49           QB       LYS  49  10.489   4.743  -5.178
  591    QD   LYS  49           QD       LYS  49   9.833   5.205  -7.492
  592    QG   LYS  49           QG       LYS  49  12.204   4.983  -6.898
  593    QE   LYS  49           QE       LYS  49  10.803   5.679  -9.507
  594    QZ   LYS  49           QZ       LYS  49  11.548   3.548  -9.678
  595    H    THR  50           H        THR  50  11.282   6.926  -3.351
  596    HA   THR  50           HA       THR  50  13.175   8.636  -4.621
  597    HB   THR  50           HB       THR  50  11.038   9.393  -2.611
  598    HG1  THR  50          1HG       THR  50  10.035   8.331  -4.249
  599   1HG2  THR  50          1HG2      THR  50  12.695  11.158  -3.122
  600   2HG2  THR  50          3HG2      THR  50  12.363  10.952  -4.842
  601   3HG2  THR  50          2HG2      THR  50  11.102  11.557  -3.767
  602    MG   THR  50           QG2      THR  50  12.054  11.223  -3.911
  603    H    LYS  51           H        LYS  51  12.587   7.651  -1.200
  604    HA   LYS  51           HA       LYS  51  14.548   9.422  -0.172
  605   1HB   LYS  51          2HB       LYS  51  13.249   6.971   1.044
  606   2HB   LYS  51          1HB       LYS  51  14.297   8.085   1.910
  607   1HG   LYS  51          2HG       LYS  51  12.697   9.893   1.542
  608   2HG   LYS  51          1HG       LYS  51  11.673   8.775   0.633
  609   1HD   LYS  51          2HD       LYS  51  11.281   7.437   2.584
  610   2HD   LYS  51          1HD       LYS  51  12.454   8.371   3.511
  611   1HE   LYS  51          2HE       LYS  51  11.052  10.350   3.350
  612   2HE   LYS  51          1HE       LYS  51   9.912   9.476   2.329
  613   1HZ   LYS  51          1HZ       LYS  51  10.536   8.567   5.079
  614   2HZ   LYS  51          3HZ       LYS  51   9.365   9.723   4.753
  615   3HZ   LYS  51          2HZ       LYS  51   9.154   8.223   4.106
  616    QB   LYS  51           QB       LYS  51  13.773   7.528   1.477
  617    QD   LYS  51           QD       LYS  51  11.868   7.904   3.047
  618    QG   LYS  51           QG       LYS  51  12.185   9.334   1.088
  619    QE   LYS  51           QE       LYS  51  10.482   9.913   2.839
  620    QZ   LYS  51           QZ       LYS  51   9.685   8.838   4.646
  621    H    LYS  52           H        LYS  52  14.413   5.988  -0.982
  622    HA   LYS  52           HA       LYS  52  15.917   4.317  -1.049
  623   1HB   LYS  52          2HB       LYS  52  17.707   4.669  -2.709
  624   2HB   LYS  52          1HB       LYS  52  16.132   5.222  -3.254
  625   1HG   LYS  52          2HG       LYS  52  16.725   7.481  -2.915
  626   2HG   LYS  52          1HG       LYS  52  18.224   7.034  -2.099
  627   1HD   LYS  52          2HD       LYS  52  17.553   6.301  -4.950
  628   2HD   LYS  52          1HD       LYS  52  18.449   7.784  -4.554
  629   1HE   LYS  52          2HE       LYS  52  19.265   4.914  -4.026
  630   2HE   LYS  52          1HE       LYS  52  19.939   5.988  -5.242
  631   1HZ   LYS  52          1HZ       LYS  52  20.794   7.408  -3.442
  632   2HZ   LYS  52          3HZ       LYS  52  20.150   6.357  -2.297
  633   3HZ   LYS  52          2HZ       LYS  52  21.356   5.825  -3.307
  634    QB   LYS  52           QB       LYS  52  16.919   4.945  -2.982
  635    QD   LYS  52           QD       LYS  52  18.001   7.042  -4.752
  636    QG   LYS  52           QG       LYS  52  17.475   7.257  -2.507
  637    QE   LYS  52           QE       LYS  52  19.602   5.451  -4.634
  638    QZ   LYS  52           QZ       LYS  52  20.766   6.530  -3.015
  639    H    LYS  53           H        LYS  53  16.292   5.740   1.282
  640    HA   LYS  53           HA       LYS  53  19.169   5.781   1.619
  641   1HB   LYS  53          2HB       LYS  53  18.692   7.024   3.670
  642   2HB   LYS  53          1HB       LYS  53  18.041   7.724   2.176
  643   1HG   LYS  53          2HG       LYS  53  15.811   6.949   2.711
  644   2HG   LYS  53          1HG       LYS  53  16.396   6.161   4.179
  645   1HD   LYS  53          2HD       LYS  53  16.496   9.129   3.614
  646   2HD   LYS  53          1HD       LYS  53  15.303   8.330   4.632
  647   1HE   LYS  53          2HE       LYS  53  17.030   7.667   6.199
  648   2HE   LYS  53          1HE       LYS  53  18.284   8.295   5.134
  649   1HZ   LYS  53          1HZ       LYS  53  16.180   9.919   6.444
  650   2HZ   LYS  53          3HZ       LYS  53  17.795   9.823   6.924
  651   3HZ   LYS  53          2HZ       LYS  53  17.403  10.499   5.437
  652    QB   LYS  53           QB       LYS  53  18.367   7.374   2.923
  653    QD   LYS  53           QD       LYS  53  15.899   8.729   4.123
  654    QG   LYS  53           QG       LYS  53  16.104   6.555   3.445
  655    QE   LYS  53           QE       LYS  53  17.657   7.981   5.667
  656    QZ   LYS  53           QZ       LYS  53  17.126  10.080   6.268
  657    H    ARG  54           H        ARG  54  16.637   3.705   2.106
  658    HA   ARG  54           HA       ARG  54  17.859   2.498   4.438
  659   1HB   ARG  54          2HB       ARG  54  15.331   1.802   2.951
  660   2HB   ARG  54          1HB       ARG  54  15.997   0.789   4.226
  661   1HG   ARG  54          2HG       ARG  54  15.904   2.788   5.737
  662   2HG   ARG  54          1HG       ARG  54  15.012   3.616   4.463
  663   1HD   ARG  54          2HD       ARG  54  13.248   1.975   4.570
  664   2HD   ARG  54          1HD       ARG  54  14.173   1.010   5.717
  665    HE   ARG  54           HE       ARG  54  13.559   3.731   6.494
  666   1HH1  ARG  54          1HH1      ARG  54  12.639   0.323   6.712
  667   2HH1  ARG  54          2HH1      ARG  54  11.785   0.502   8.178
  668   1HH2  ARG  54          1HH2      ARG  54  12.417   3.969   8.513
  669   2HH2  ARG  54          2HH2      ARG  54  11.657   2.627   9.217
  670    QB   ARG  54           QB       ARG  54  15.664   1.295   3.589
  671    QG   ARG  54           QG       ARG  54  15.458   3.202   5.100
  672    QD   ARG  54           QD       ARG  54  13.710   1.493   5.144
  673    QH1  ARG  54           QH1      ARG  54  12.212   0.413   7.445
  674    QH2  ARG  54           QH2      ARG  54  12.037   3.298   8.865
  675    H    TYR  55           H        TYR  55  18.493   0.319   4.480
  676    HA   TYR  55           HA       TYR  55  20.570   0.062   2.707
  677   1HB   TYR  55          2HB       TYR  55  19.479  -1.917   4.671
  678   2HB   TYR  55          1HB       TYR  55  20.931  -2.214   3.717
  679    HD1  TYR  55          1HD       TYR  55  22.930  -0.796   4.030
  680    HD2  TYR  55          2HD       TYR  55  19.517  -0.393   6.533
  681    HE1  TYR  55          1HE       TYR  55  24.275   0.455   5.662
  682    HE2  TYR  55          2HE       TYR  55  20.849   0.858   8.161
  683    HH   TYR  55           HH       TYR  55  23.183   1.018   8.778
  684    QB   TYR  55           QB       TYR  55  20.205  -2.065   4.194
  685    QD   TYR  55           QD       TYR  55  21.223  -0.595   5.281
  686    QE   TYR  55           QE       TYR  55  22.562   0.657   6.911
  687    QR   TYR  55           QR       TYR  55  21.893   0.031   6.096
  688    H    SER  56           H        SER  56  17.404  -1.180   2.214
  689    HA   SER  56           HA       SER  56  17.979  -3.286   0.439
  690   1HB   SER  56          2HB       SER  56  15.615  -1.396   0.397
  691   2HB   SER  56          1HB       SER  56  15.684  -2.999  -0.343
  692    HG   SER  56           HG       SER  56  16.232  -3.681   1.920
  693    QB   SER  56           QB       SER  56  15.650  -2.198   0.027
  694    H    LEU  57           H        LEU  57  18.161   0.156   0.032
  695    HA   LEU  57           HA       LEU  57  18.311  -0.076  -2.883
  696   1HB   LEU  57          2HB       LEU  57  17.957   2.270  -1.040
  697   2HB   LEU  57          1HB       LEU  57  18.439   2.494  -2.699
  698    HG   LEU  57           HG       LEU  57  16.086   2.927  -2.438
  699   1HD1  LEU  57          3HD1      LEU  57  16.596   0.437  -4.008
  700   2HD1  LEU  57          2HD1      LEU  57  15.161   1.459  -4.131
  701   3HD1  LEU  57          1HD1      LEU  57  16.747   2.119  -4.527
  702   1HD2  LEU  57          2HD2      LEU  57  15.803   0.081  -1.473
  703   2HD2  LEU  57          1HD2      LEU  57  15.569   1.536  -0.505
  704   3HD2  LEU  57          3HD2      LEU  57  14.468   1.176  -1.837
  705    MD1  LEU  57           QD1      LEU  57  16.168   1.338  -4.222
  706    MD2  LEU  57           QD2      LEU  57  15.280   0.931  -1.272
  707    QB   LEU  57           QB       LEU  57  18.198   2.382  -1.869
  708    QD   LEU  57           QQD      LEU  57  15.724   1.135  -2.747
  709    H    LEU  58           H        LEU  58  20.385  -0.353  -0.398
  710    HA   LEU  58           HA       LEU  58  22.533   1.061  -1.805
  711   1HB   LEU  58          2HB       LEU  58  22.239   0.413   1.128
  712   2HB   LEU  58          1HB       LEU  58  23.776   0.832   0.423
  713    HG   LEU  58           HG       LEU  58  22.821   3.074  -0.183
  714   1HD1  LEU  58          3HD1      LEU  58  20.504   2.185   1.514
  715   2HD1  LEU  58          2HD1      LEU  58  20.795   3.823   0.938
  716   3HD1  LEU  58          1HD1      LEU  58  20.465   2.527  -0.214
  717   1HD2  LEU  58          2HD2      LEU  58  24.188   2.772   1.790
  718   2HD2  LEU  58          1HD2      LEU  58  22.917   3.960   2.090
  719   3HD2  LEU  58          3HD2      LEU  58  22.765   2.321   2.728
  720    MD1  LEU  58           QD1      LEU  58  20.588   2.845   0.746
  721    MD2  LEU  58           QD2      LEU  58  23.290   3.018   2.203
  722    QB   LEU  58           QB       LEU  58  23.007   0.623   0.776
  723    QD   LEU  58           QQD      LEU  58  21.939   2.932   1.475
  724    H    GLU  59           H        GLU  59  21.910  -1.796   0.234
  725    HA   GLU  59           HA       GLU  59  23.866  -3.283  -1.329
  726   1HB   GLU  59          2HB       GLU  59  23.788  -3.194   1.700
  727   2HB   GLU  59          1HB       GLU  59  24.928  -4.088   0.704
  728   1HG   GLU  59          2HG       GLU  59  25.818  -1.971  -0.135
  729   2HG   GLU  59          1HG       GLU  59  24.684  -1.115   0.904
  730    QB   GLU  59           QB       GLU  59  24.358  -3.641   1.202
  731    QG   GLU  59           QG       GLU  59  25.251  -1.543   0.385
  732    H    HIS  60           H        HIS  60  23.703  -5.493   0.377
  733    HA   HIS  60           HA       HIS  60  20.879  -6.244   0.121
  734   1HB   HIS  60          2HB       HIS  60  23.324  -8.005   0.475
  735   2HB   HIS  60          1HB       HIS  60  21.675  -8.580   0.359
  736    HD1  HIS  60          1HD       HIS  60  24.548  -8.610  -1.595
  737    HD2  HIS  60          2HD       HIS  60  20.623  -7.450  -2.353
  738    HE1  HIS  60          1HE       HIS  60  24.232  -8.805  -4.073
  739    QB   HIS  60           QB       HIS  60  22.500  -8.293   0.417
  740    H    HIS  61           H        HIS  61  20.010  -5.547   2.147
  741    HA   HIS  61           HA       HIS  61  21.552  -6.436   4.387
  742   1HB   HIS  61          2HB       HIS  61  19.920  -5.476   5.938
  743   2HB   HIS  61          1HB       HIS  61  20.240  -4.292   4.697
  744    HD1  HIS  61          1HD       HIS  61  17.551  -6.483   6.113
  745    HD2  HIS  61          2HD       HIS  61  18.007  -3.544   3.221
  746    HE1  HIS  61          1HE       HIS  61  15.227  -5.723   5.529
  747    QB   HIS  61           QB       HIS  61  20.080  -4.884   5.318
  748    H    HIS  62           H        HIS  62  21.713  -8.351   4.731
  749    HA   HIS  62           HA       HIS  62  20.375 -10.316   3.390
  750   1HB   HIS  62          2HB       HIS  62  21.948 -10.607   5.943
  751   2HB   HIS  62          1HB       HIS  62  21.464 -11.942   4.901
  752    HD1  HIS  62          1HD       HIS  62  22.381 -11.433   2.213
  753    HD2  HIS  62          2HD       HIS  62  24.436  -9.782   5.425
  754    HE1  HIS  62          1HE       HIS  62  24.674 -10.861   1.358
  755    QB   HIS  62           QB       HIS  62  21.706 -11.274   5.422
  756    H    HIS  63           H        HIS  63  18.427 -10.812   3.418
  757    HA   HIS  63           HA       HIS  63  17.033 -11.463   5.865
  758   1HB   HIS  63          2HB       HIS  63  16.443  -9.100   5.388
  759   2HB   HIS  63          1HB       HIS  63  16.045  -9.525   3.731
  760    HD1  HIS  63          1HD       HIS  63  13.645 -10.166   3.294
  761    HD2  HIS  63          2HD       HIS  63  14.613 -10.243   7.332
  762    HE1  HIS  63          1HE       HIS  63  11.494 -10.580   4.512
  763    QB   HIS  63           QB       HIS  63  16.244  -9.313   4.560
  764    H    HIS  64           H        HIS  64  15.182 -12.909   5.316
  765    HA   HIS  64           HA       HIS  64  15.836 -14.466   2.994
  766   1HB   HIS  64          2HB       HIS  64  13.989 -15.002   5.321
  767   2HB   HIS  64          1HB       HIS  64  14.426 -16.142   4.060
  768    HD1  HIS  64          1HD       HIS  64  16.696 -17.391   4.345
  769    HD2  HIS  64          2HD       HIS  64  16.049 -14.422   7.174
  770    HE1  HIS  64          1HE       HIS  64  18.495 -17.659   6.059
  771    QB   HIS  64           QB       HIS  64  14.208 -15.572   4.690

  No H/Q in entry =         771
  Start of MODEL    5
    1    H1   MET   1          1HT       MET   1  13.469  -8.411   1.026
    2    H2   MET   1          3HT       MET   1  12.602  -7.111   1.662
    3    H3   MET   1          2HT       MET   1  12.529  -8.636   2.418
    4    HA   MET   1           HA       MET   1  11.516  -9.550   0.476
    5   1HB   MET   1          2HB       MET   1   9.303  -8.459   0.692
    6   2HB   MET   1          1HB       MET   1  10.034  -8.746   2.261
    7   1HG   MET   1          2HG       MET   1  10.676  -6.386   2.397
    8   2HG   MET   1          1HG       MET   1   9.974  -6.103   0.811
    9   1HE   MET   1          2HE       MET   1   7.455  -6.156   0.268
   10   2HE   MET   1          1HE       MET   1   7.282  -7.800   0.872
   11   3HE   MET   1          3HE       MET   1   6.171  -6.539   1.410
   12    QB   MET   1           QB       MET   1   9.669  -8.602   1.476
   13    QG   MET   1           QG       MET   1  10.325  -6.245   1.604
   14    ME   MET   1           QE       MET   1   6.970  -6.832   0.850
   15    H    ASN   2           H        ASN   2  10.896  -9.374  -1.578
   16    HA   ASN   2           HA       ASN   2  12.250  -7.470  -3.198
   17   1HB   ASN   2          2HB       ASN   2  11.844  -9.836  -3.845
   18   2HB   ASN   2          1HB       ASN   2  10.124  -9.518  -3.897
   19   1HD2  ASN   2          1HD2      ASN   2  11.946 -10.496  -5.927
   20   2HD2  ASN   2          2HD2      ASN   2  11.791  -9.434  -7.285
   21    QB   ASN   2           QB       ASN   2  10.984  -9.677  -3.871
   22    QD   ASN   2           QD2      ASN   2  11.868  -9.965  -6.606
   23    H    VAL   3           H        VAL   3  11.415  -5.754  -4.285
   24    HA   VAL   3           HA       VAL   3   9.332  -4.365  -3.052
   25    HB   VAL   3           HB       VAL   3   9.624  -2.658  -4.785
   26   1HG1  VAL   3          2HG1      VAL   3  12.190  -3.804  -3.678
   27   2HG1  VAL   3          1HG1      VAL   3  11.990  -2.154  -4.275
   28   3HG1  VAL   3          3HG1      VAL   3  11.103  -2.693  -2.850
   29   1HG2  VAL   3          1HG2      VAL   3  10.027  -4.096  -6.711
   30   2HG2  VAL   3          3HG2      VAL   3  11.347  -2.943  -6.520
   31   3HG2  VAL   3          2HG2      VAL   3  11.565  -4.622  -6.024
   32    MG1  VAL   3           QG1      VAL   3  11.761  -2.884  -3.601
   33    MG2  VAL   3           QG2      VAL   3  10.980  -3.887  -6.418
   34    QG   VAL   3           QQG      VAL   3  11.370  -3.385  -5.010
   35    H    THR   4           H        THR   4   9.262  -6.501  -5.816
   36    HA   THR   4           HA       THR   4   6.791  -5.610  -6.844
   37    HB   THR   4           HB       THR   4   8.308  -7.137  -8.142
   38    HG1  THR   4          1HG       THR   4   6.378  -7.178  -9.035
   39   1HG2  THR   4          3HG2      THR   4   7.251  -9.265  -6.279
   40   2HG2  THR   4          2HG2      THR   4   8.224  -9.565  -7.721
   41   3HG2  THR   4          1HG2      THR   4   8.918  -8.690  -6.350
   42    MG   THR   4           QG2      THR   4   8.131  -9.173  -6.783
   43    H    LYS   5           H        LYS   5   7.603  -7.497  -4.101
   44    HA   LYS   5           HA       LYS   5   4.993  -8.622  -3.754
   45   1HB   LYS   5          2HB       LYS   5   7.317  -8.461  -1.829
   46   2HB   LYS   5          1HB       LYS   5   5.841  -9.378  -1.558
   47   1HG   LYS   5          2HG       LYS   5   7.771  -9.849  -3.830
   48   2HG   LYS   5          1HG       LYS   5   7.716 -10.783  -2.336
   49   1HD   LYS   5          2HD       LYS   5   5.436 -11.498  -2.859
   50   2HD   LYS   5          1HD       LYS   5   5.453 -10.520  -4.324
   51   1HE   LYS   5          2HE       LYS   5   7.230 -11.864  -5.254
   52   2HE   LYS   5          1HE       LYS   5   7.351 -12.794  -3.766
   53   1HZ   LYS   5          1HZ       LYS   5   4.963 -12.699  -5.526
   54   2HZ   LYS   5          3HZ       LYS   5   6.092 -13.941  -5.489
   55   3HZ   LYS   5          2HZ       LYS   5   5.133 -13.641  -4.139
   56    QB   LYS   5           QB       LYS   5   6.579  -8.919  -1.694
   57    QD   LYS   5           QD       LYS   5   5.445 -11.009  -3.591
   58    QG   LYS   5           QG       LYS   5   7.743 -10.316  -3.083
   59    QE   LYS   5           QE       LYS   5   7.290 -12.329  -4.510
   60    QZ   LYS   5           QZ       LYS   5   5.396 -13.427  -5.051
   61    H    LEU   6           H        LEU   6   6.610  -5.711  -2.778
   62    HA   LEU   6           HA       LEU   6   4.670  -4.950  -0.821
   63   1HB   LEU   6          2HB       LEU   6   6.996  -3.947  -1.054
   64   2HB   LEU   6          1HB       LEU   6   6.413  -3.157  -2.507
   65    HG   LEU   6           HG       LEU   6   4.773  -1.873  -1.140
   66   1HD1  LEU   6          1HD1      LEU   6   6.125  -3.199   1.191
   67   2HD1  LEU   6          3HD1      LEU   6   4.967  -1.872   1.277
   68   3HD1  LEU   6          2HD1      LEU   6   4.458  -3.443   0.665
   69   1HD2  LEU   6          1HD2      LEU   6   6.981  -0.934  -1.664
   70   2HD2  LEU   6          3HD2      LEU   6   6.399  -0.402  -0.089
   71   3HD2  LEU   6          2HD2      LEU   6   7.632  -1.657  -0.195
   72    MD1  LEU   6           QD1      LEU   6   5.183  -2.838   1.044
   73    MD2  LEU   6           QD2      LEU   6   7.004  -0.997  -0.650
   74    QB   LEU   6           QB       LEU   6   6.705  -3.552  -1.780
   75    QD   LEU   6           QQD      LEU   6   6.094  -1.918   0.197
   76    H    ASN   7           H        ASN   7   5.151  -4.468  -4.256
   77    HA   ASN   7           HA       ASN   7   2.889  -2.884  -4.737
   78   1HB   ASN   7          2HB       ASN   7   4.813  -3.085  -6.309
   79   2HB   ASN   7          1HB       ASN   7   4.355  -4.745  -6.637
   80   1HD2  ASN   7          1HD2      ASN   7   2.053  -2.065  -6.326
   81   2HD2  ASN   7          2HD2      ASN   7   1.548  -2.106  -7.962
   82    QB   ASN   7           QB       ASN   7   4.584  -3.915  -6.473
   83    QD   ASN   7           QD2      ASN   7   1.800  -2.085  -7.144
   84    H    ASP   8           H        ASP   8   3.428  -6.317  -4.526
   85    HA   ASP   8           HA       ASP   8   0.913  -7.247  -5.443
   86   1HB   ASP   8          2HB       ASP   8   2.898  -8.717  -5.184
   87   2HB   ASP   8          1HB       ASP   8   2.794  -8.519  -3.439
   88    QB   ASP   8           QB       ASP   8   2.846  -8.618  -4.311
   89    H    ARG   9           H        ARG   9   2.121  -6.315  -2.261
   90    HA   ARG   9           HA       ARG   9  -0.145  -6.898  -0.708
   91   1HB   ARG   9          2HB       ARG   9   1.801  -4.606  -0.405
   92   2HB   ARG   9          1HB       ARG   9   0.601  -5.040   0.795
   93   1HG   ARG   9          2HG       ARG   9   2.892  -6.764  -0.116
   94   2HG   ARG   9          1HG       ARG   9   2.828  -5.831   1.381
   95   1HD   ARG   9          2HD       ARG   9   0.766  -7.170   1.976
   96   2HD   ARG   9          1HD       ARG   9   1.142  -8.198   0.592
   97    HE   ARG   9           HE       ARG   9   3.427  -7.962   2.132
   98   1HH1  ARG   9          1HH1      ARG   9   0.201  -9.456   2.429
   99   2HH1  ARG   9          2HH1      ARG   9   0.679 -10.586   3.587
  100   1HH2  ARG   9          1HH2      ARG   9   4.086  -9.530   3.707
  101   2HH2  ARG   9          2HH2      ARG   9   2.976 -10.639   4.352
  102    QB   ARG   9           QB       ARG   9   1.201  -4.823   0.195
  103    QG   ARG   9           QG       ARG   9   2.860  -6.298   0.632
  104    QD   ARG   9           QD       ARG   9   0.954  -7.684   1.284
  105    QH1  ARG   9           QH1      ARG   9   0.440 -10.021   3.008
  106    QH2  ARG   9           QH2      ARG   9   3.531 -10.084   4.029
  107    H    ILE  10           H        ILE  10   0.650  -4.108  -2.663
  108    HA   ILE  10           HA       ILE  10  -1.582  -2.498  -2.089
  109    HB   ILE  10           HB       ILE  10   0.018  -2.690  -4.664
  110   1HG1  ILE  10          2HG1      ILE  10   0.295  -0.771  -2.352
  111   2HG1  ILE  10          1HG1      ILE  10   1.343  -2.156  -2.644
  112   1HG2  ILE  10          1HG2      ILE  10  -2.140  -1.564  -5.049
  113   2HG2  ILE  10          3HG2      ILE  10  -1.808  -0.464  -3.712
  114   3HG2  ILE  10          2HG2      ILE  10  -0.810  -0.423  -5.163
  115   1HD1  ILE  10          2HD1      ILE  10   1.010   0.213  -4.460
  116   2HD1  ILE  10          1HD1      ILE  10   2.355  -0.078  -3.350
  117   3HD1  ILE  10          3HD1      ILE  10   2.093  -1.155  -4.717
  118    MG   ILE  10           QG2      ILE  10  -1.586  -0.817  -4.641
  119    MD   ILE  10           QD1      ILE  10   1.819  -0.340  -4.176
  120    QG   ILE  10           QG1      ILE  10   0.819  -1.463  -2.498
  121    H    GLU  11           H        GLU  11  -0.969  -4.841  -4.664
  122    HA   GLU  11           HA       GLU  11  -3.352  -4.651  -6.067
  123   1HB   GLU  11          2HB       GLU  11  -1.406  -5.926  -6.859
  124   2HB   GLU  11          1HB       GLU  11  -1.686  -7.115  -5.613
  125   1HG   GLU  11          2HG       GLU  11  -3.796  -7.747  -6.586
  126   2HG   GLU  11          1HG       GLU  11  -3.644  -6.475  -7.796
  127    QB   GLU  11           QB       GLU  11  -1.546  -6.521  -6.236
  128    QG   GLU  11           QG       GLU  11  -3.720  -7.111  -7.191
  129    H    ALA  12           H        ALA  12  -2.540  -6.865  -3.453
  130    HA   ALA  12           HA       ALA  12  -4.985  -8.186  -3.281
  131   1HB   ALA  12          3HB       ALA  12  -2.923  -8.937  -2.197
  132   2HB   ALA  12          1HB       ALA  12  -4.268  -8.863  -1.054
  133   3HB   ALA  12          2HB       ALA  12  -3.038  -7.595  -1.061
  134    MB   ALA  12           QB       ALA  12  -3.410  -8.465  -1.437
  135    H    LYS  13           H        LYS  13  -3.963  -5.117  -1.978
  136    HA   LYS  13           HA       LYS  13  -6.275  -4.905  -0.311
  137   1HB   LYS  13          2HB       LYS  13  -4.197  -3.905   0.465
  138   2HB   LYS  13          1HB       LYS  13  -4.158  -2.838  -0.925
  139   1HG   LYS  13          2HG       LYS  13  -6.065  -1.621  -0.157
  140   2HG   LYS  13          1HG       LYS  13  -6.386  -2.809   1.104
  141   1HD   LYS  13          2HD       LYS  13  -3.877  -1.146   0.973
  142   2HD   LYS  13          1HD       LYS  13  -5.312  -0.684   1.885
  143   1HE   LYS  13          2HE       LYS  13  -3.740  -3.237   2.302
  144   2HE   LYS  13          1HE       LYS  13  -3.600  -1.787   3.279
  145   1HZ   LYS  13          1HZ       LYS  13  -6.165  -3.326   3.005
  146   2HZ   LYS  13          3HZ       LYS  13  -5.036  -3.498   4.234
  147   3HZ   LYS  13          2HZ       LYS  13  -5.825  -2.046   4.064
  148    QB   LYS  13           QB       LYS  13  -4.177  -3.371  -0.230
  149    QD   LYS  13           QD       LYS  13  -4.595  -0.915   1.429
  150    QG   LYS  13           QG       LYS  13  -6.225  -2.215   0.474
  151    QE   LYS  13           QE       LYS  13  -3.670  -2.512   2.790
  152    QZ   LYS  13           QZ       LYS  13  -5.675  -2.956   3.768
  153    H    LYS  14           H        LYS  14  -5.339  -3.861  -3.466
  154    HA   LYS  14           HA       LYS  14  -7.401  -2.002  -3.971
  155   1HB   LYS  14          2HB       LYS  14  -6.129  -3.933  -5.926
  156   2HB   LYS  14          1HB       LYS  14  -7.039  -2.490  -6.347
  157   1HG   LYS  14          2HG       LYS  14  -5.352  -1.086  -5.373
  158   2HG   LYS  14          1HG       LYS  14  -4.466  -2.496  -4.789
  159   1HD   LYS  14          2HD       LYS  14  -3.364  -1.732  -6.742
  160   2HD   LYS  14          1HD       LYS  14  -4.236  -3.202  -7.165
  161   1HE   LYS  14          2HE       LYS  14  -6.059  -1.842  -8.108
  162   2HE   LYS  14          1HE       LYS  14  -5.157  -0.393  -7.649
  163   1HZ   LYS  14          1HZ       LYS  14  -3.415  -1.035  -9.186
  164   2HZ   LYS  14          3HZ       LYS  14  -4.254  -2.432  -9.605
  165   3HZ   LYS  14          2HZ       LYS  14  -4.875  -0.926  -9.999
  166    QB   LYS  14           QB       LYS  14  -6.584  -3.212  -6.136
  167    QD   LYS  14           QD       LYS  14  -3.800  -2.467  -6.954
  168    QG   LYS  14           QG       LYS  14  -4.909  -1.791  -5.081
  169    QE   LYS  14           QE       LYS  14  -5.608  -1.118  -7.878
  170    QZ   LYS  14           QZ       LYS  14  -4.182  -1.464  -9.596
  171    H    LYS  15           H        LYS  15  -7.212  -5.493  -4.315
  172    HA   LYS  15           HA       LYS  15  -9.799  -5.938  -5.428
  173   1HB   LYS  15          2HB       LYS  15  -8.410  -7.876  -3.582
  174   2HB   LYS  15          1HB       LYS  15  -9.488  -8.235  -4.917
  175   1HG   LYS  15          2HG       LYS  15  -6.665  -7.204  -5.121
  176   2HG   LYS  15          1HG       LYS  15  -7.198  -8.845  -5.433
  177   1HD   LYS  15          2HD       LYS  15  -8.032  -6.402  -7.005
  178   2HD   LYS  15          1HD       LYS  15  -6.780  -7.547  -7.474
  179   1HE   LYS  15          2HE       LYS  15  -8.501  -9.340  -7.478
  180   2HE   LYS  15          1HE       LYS  15  -9.720  -8.108  -7.149
  181   1HZ   LYS  15          1HZ       LYS  15  -9.062  -7.013  -9.255
  182   2HZ   LYS  15          3HZ       LYS  15  -7.989  -8.296  -9.545
  183   3HZ   LYS  15          2HZ       LYS  15  -9.638  -8.584  -9.466
  184    QB   LYS  15           QB       LYS  15  -8.949  -8.056  -4.250
  185    QD   LYS  15           QD       LYS  15  -7.406  -6.974  -7.240
  186    QG   LYS  15           QG       LYS  15  -6.932  -8.025  -5.277
  187    QE   LYS  15           QE       LYS  15  -9.111  -8.724  -7.314
  188    QZ   LYS  15           QZ       LYS  15  -8.896  -7.964  -9.422
  189    H    GLU  16           H        GLU  16  -8.491  -5.901  -2.213
  190    HA   GLU  16           HA       GLU  16 -10.649  -6.590  -0.618
  191   1HB   GLU  16          2HB       GLU  16  -8.359  -6.458   0.160
  192   2HB   GLU  16          1HB       GLU  16  -8.318  -4.742  -0.179
  193   1HG   GLU  16          2HG       GLU  16  -9.920  -4.340   1.596
  194   2HG   GLU  16          1HG       GLU  16  -9.988  -6.070   1.935
  195    QB   GLU  16           QB       GLU  16  -8.339  -5.600  -0.009
  196    QG   GLU  16           QG       GLU  16  -9.954  -5.205   1.765
  197    H    LEU  17           H        LEU  17  -9.504  -3.377  -1.613
  198    HA   LEU  17           HA       LEU  17 -11.489  -1.918  -0.336
  199   1HB   LEU  17          2HB       LEU  17  -9.429  -0.905  -1.118
  200   2HB   LEU  17          1HB       LEU  17  -9.887  -1.195  -2.784
  201    HG   LEU  17           HG       LEU  17 -11.726   0.413  -2.581
  202   1HD1  LEU  17          1HD1      LEU  17 -10.704   0.839   0.215
  203   2HD1  LEU  17          3HD1      LEU  17 -11.921   1.825  -0.590
  204   3HD1  LEU  17          2HD1      LEU  17 -12.260   0.129  -0.226
  205   1HD2  LEU  17          1HD2      LEU  17  -9.094   1.488  -1.613
  206   2HD2  LEU  17          3HD2      LEU  17  -9.546   1.220  -3.301
  207   3HD2  LEU  17          2HD2      LEU  17 -10.393   2.436  -2.335
  208    MD1  LEU  17           QD1      LEU  17 -11.628   0.931  -0.200
  209    MD2  LEU  17           QD2      LEU  17  -9.678   1.714  -2.417
  210    QB   LEU  17           QB       LEU  17  -9.658  -1.050  -1.951
  211    QD   LEU  17           QQD      LEU  17 -10.653   1.323  -1.308
  212    H    ILE  18           H        ILE  18 -11.427  -3.243  -3.617
  213    HA   ILE  18           HA       ILE  18 -13.841  -2.093  -4.488
  214    HB   ILE  18           HB       ILE  18 -12.725  -4.813  -5.287
  215   1HG1  ILE  18          2HG1      ILE  18 -12.422  -2.112  -6.627
  216   2HG1  ILE  18          1HG1      ILE  18 -11.170  -2.916  -5.688
  217   1HG2  ILE  18          3HG2      ILE  18 -14.764  -3.054  -6.669
  218   2HG2  ILE  18          2HG2      ILE  18 -14.084  -4.537  -7.333
  219   3HG2  ILE  18          1HG2      ILE  18 -15.089  -4.599  -5.883
  220   1HD1  ILE  18          1HD1      ILE  18 -11.120  -4.727  -7.331
  221   2HD1  ILE  18          3HD1      ILE  18 -12.371  -3.905  -8.266
  222   3HD1  ILE  18          2HD1      ILE  18 -10.786  -3.161  -8.070
  223    MG   ILE  18           QG2      ILE  18 -14.645  -4.063  -6.628
  224    MD   ILE  18           QD1      ILE  18 -11.426  -3.931  -7.889
  225    QG   ILE  18           QG1      ILE  18 -11.796  -2.514  -6.157
  226    H    TYR  19           H        TYR  19 -13.223  -5.148  -2.842
  227    HA   TYR  19           HA       TYR  19 -15.834  -6.127  -2.640
  228   1HB   TYR  19          2HB       TYR  19 -14.015  -7.583  -2.071
  229   2HB   TYR  19          1HB       TYR  19 -13.402  -6.459  -0.871
  230    HD1  TYR  19          1HD       TYR  19 -16.199  -8.785  -1.606
  231    HD2  TYR  19          2HD       TYR  19 -14.106  -6.596   1.378
  232    HE1  TYR  19          1HE       TYR  19 -17.449  -9.967   0.139
  233    HE2  TYR  19          2HE       TYR  19 -15.352  -7.776   3.133
  234    HH   TYR  19           HH       TYR  19 -17.164 -10.535   2.507
  235    QB   TYR  19           QB       TYR  19 -13.708  -7.021  -1.471
  236    QD   TYR  19           QD       TYR  19 -15.153  -7.690  -0.114
  237    QE   TYR  19           QE       TYR  19 -16.400  -8.872   1.636
  238    QR   TYR  19           QR       TYR  19 -15.777  -8.281   0.761
  239    H    LEU  20           H        LEU  20 -14.023  -4.013  -0.517
  240    HA   LEU  20           HA       LEU  20 -16.006  -3.771   1.458
  241   1HB   LEU  20          2HB       LEU  20 -13.594  -2.090   0.838
  242   2HB   LEU  20          1HB       LEU  20 -14.595  -1.868   2.263
  243    HG   LEU  20           HG       LEU  20 -13.140  -4.435   1.608
  244   1HD1  LEU  20          3HD1      LEU  20 -11.534  -2.660   2.032
  245   2HD1  LEU  20          2HD1      LEU  20 -12.368  -2.254   3.528
  246   3HD1  LEU  20          1HD1      LEU  20 -11.568  -3.817   3.363
  247   1HD2  LEU  20          3HD2      LEU  20 -14.553  -3.482   4.092
  248   2HD2  LEU  20          2HD2      LEU  20 -15.083  -4.772   3.014
  249   3HD2  LEU  20          1HD2      LEU  20 -13.613  -4.969   3.965
  250    MD1  LEU  20           QD1      LEU  20 -11.823  -2.911   2.974
  251    MD2  LEU  20           QD2      LEU  20 -14.416  -4.408   3.691
  252    QB   LEU  20           QB       LEU  20 -14.095  -1.979   1.551
  253    QD   LEU  20           QQD      LEU  20 -13.120  -3.659   3.332
  254    H    VAL  21           H        VAL  21 -15.352  -1.849  -1.436
  255    HA   VAL  21           HA       VAL  21 -17.173   0.234  -0.782
  256    HB   VAL  21           HB       VAL  21 -16.318  -0.699  -3.552
  257   1HG1  VAL  21          1HG1      VAL  21 -17.622   1.887  -2.688
  258   2HG1  VAL  21          3HG1      VAL  21 -17.028   1.543  -4.311
  259   3HG1  VAL  21          2HG1      VAL  21 -18.378   0.620  -3.650
  260   1HG2  VAL  21          2HG2      VAL  21 -15.279   1.510  -1.802
  261   2HG2  VAL  21          1HG2      VAL  21 -14.424   0.030  -2.228
  262   3HG2  VAL  21          3HG2      VAL  21 -14.789   1.234  -3.468
  263    MG1  VAL  21           QG1      VAL  21 -17.676   1.350  -3.550
  264    MG2  VAL  21           QG2      VAL  21 -14.831   0.924  -2.499
  265    QG   VAL  21           QQG      VAL  21 -16.253   1.137  -3.025
  266    H    GLU  22           H        GLU  22 -17.503  -2.813  -2.459
  267    HA   GLU  22           HA       GLU  22 -20.177  -2.588  -3.269
  268   1HB   GLU  22          2HB       GLU  22 -18.647  -5.029  -2.410
  269   2HB   GLU  22          1HB       GLU  22 -20.158  -5.064  -3.308
  270   1HG   GLU  22          2HG       GLU  22 -17.505  -3.992  -4.258
  271   2HG   GLU  22          1HG       GLU  22 -18.273  -5.496  -4.761
  272    QB   GLU  22           QB       GLU  22 -19.402  -5.047  -2.859
  273    QG   GLU  22           QG       GLU  22 -17.889  -4.744  -4.510
  274    H    LYS  23           H        LYS  23 -18.725  -3.611  -0.253
  275    HA   LYS  23           HA       LYS  23 -21.192  -4.471   0.932
  276   1HB   LYS  23          2HB       LYS  23 -18.431  -4.109   2.057
  277   2HB   LYS  23          1HB       LYS  23 -19.800  -4.628   3.026
  278   1HG   LYS  23          2HG       LYS  23 -18.770  -6.072   0.593
  279   2HG   LYS  23          1HG       LYS  23 -18.375  -6.488   2.261
  280   1HD   LYS  23          2HD       LYS  23 -20.776  -6.846   2.717
  281   2HD   LYS  23          1HD       LYS  23 -21.135  -6.486   1.031
  282   1HE   LYS  23          2HE       LYS  23 -19.803  -8.385   0.319
  283   2HE   LYS  23          1HE       LYS  23 -19.368  -8.721   1.988
  284   1HZ   LYS  23          3HZ       LYS  23 -22.143  -8.814   0.917
  285   2HZ   LYS  23          2HZ       LYS  23 -21.165 -10.146   1.205
  286   3HZ   LYS  23          1HZ       LYS  23 -21.654  -9.190   2.486
  287    QB   LYS  23           QB       LYS  23 -19.115  -4.369   2.541
  288    QD   LYS  23           QD       LYS  23 -20.955  -6.666   1.874
  289    QG   LYS  23           QG       LYS  23 -18.572  -6.280   1.427
  290    QE   LYS  23           QE       LYS  23 -19.586  -8.553   1.153
  291    QZ   LYS  23           QZ       LYS  23 -21.654  -9.383   1.536
  292    H    TYR  24           H        TYR  24 -19.086  -1.653   1.403
  293    HA   TYR  24           HA       TYR  24 -20.966  -0.691   3.367
  294   1HB   TYR  24          2HB       TYR  24 -18.237   0.239   2.572
  295   2HB   TYR  24          1HB       TYR  24 -19.277   1.207   3.621
  296    HD1  TYR  24          1HD       TYR  24 -20.188  -0.011   5.718
  297    HD2  TYR  24          2HD       TYR  24 -16.840  -1.367   3.476
  298    HE1  TYR  24          1HE       TYR  24 -19.420  -1.299   7.663
  299    HE2  TYR  24          2HE       TYR  24 -16.065  -2.666   5.419
  300    HH   TYR  24           HH       TYR  24 -16.383  -2.464   7.978
  301    QB   TYR  24           QB       TYR  24 -18.757   0.723   3.096
  302    QD   TYR  24           QD       TYR  24 -18.514  -0.689   4.597
  303    QE   TYR  24           QE       TYR  24 -17.742  -1.982   6.541
  304    QR   TYR  24           QR       TYR  24 -18.128  -1.336   5.569
  305    H    GLY  25           H        GLY  25 -19.929   0.285   0.127
  306   1HA   GLY  25          1HA       GLY  25 -21.881   2.455   0.364
  307   2HA   GLY  25          2HA       GLY  25 -21.889   1.383  -1.023
  308    QA   GLY  25           QA       GLY  25 -21.885   1.919  -0.330
  309    H    PHE  26           H        PHE  26 -21.528   3.224  -2.368
  310    HA   PHE  26           HA       PHE  26 -18.808   3.706  -2.939
  311   1HB   PHE  26          2HB       PHE  26 -21.321   5.013  -3.959
  312   2HB   PHE  26          1HB       PHE  26 -19.721   5.501  -4.493
  313    HD1  PHE  26          1HD       PHE  26 -22.321   2.980  -4.713
  314    HD2  PHE  26          2HD       PHE  26 -18.345   3.995  -5.825
  315    HE1  PHE  26          1HE       PHE  26 -22.364   1.241  -6.449
  316    HE2  PHE  26          2HE       PHE  26 -18.378   2.253  -7.562
  317    HZ   PHE  26           HZ       PHE  26 -20.387   0.873  -7.874
  318    QB   PHE  26           QB       PHE  26 -20.521   5.257  -4.226
  319    QD   PHE  26           QD       PHE  26 -20.333   3.487  -5.269
  320    QE   PHE  26           QE       PHE  26 -20.371   1.747  -7.005
  321    QR   PHE  26           QR       PHE  26 -20.359   2.268  -6.485
  322    H    THR  27           H        THR  27 -17.467   5.026  -2.093
  323    HA   THR  27           HA       THR  27 -16.490   6.746  -1.027
  324    HB   THR  27           HB       THR  27 -19.001   8.310  -1.735
  325    HG1  THR  27          1HG       THR  27 -17.682   8.753  -3.685
  326   1HG2  THR  27          2HG2      THR  27 -17.325   9.491  -0.301
  327   2HG2  THR  27          1HG2      THR  27 -16.096   9.175  -1.522
  328   3HG2  THR  27          3HG2      THR  27 -17.469  10.221  -1.899
  329    MG   THR  27           QG2      THR  27 -16.963   9.629  -1.241
  330    H    HIS  28           H        HIS  28 -18.387   4.937   0.415
  331    HA   HIS  28           HA       HIS  28 -19.559   6.377   2.533
  332   1HB   HIS  28          2HB       HIS  28 -20.318   4.116   2.088
  333   2HB   HIS  28          1HB       HIS  28 -18.701   3.473   2.315
  334    HD1  HIS  28          1HD       HIS  28 -21.510   5.039   4.391
  335    HD2  HIS  28          2HD       HIS  28 -18.137   2.669   4.819
  336    HE1  HIS  28          1HE       HIS  28 -21.483   4.285   6.789
  337    QB   HIS  28           QB       HIS  28 -19.510   3.794   2.202
  338    H    HIS  29           H        HIS  29 -18.863   6.491   4.701
  339    HA   HIS  29           HA       HIS  29 -16.484   7.741   5.178
  340   1HB   HIS  29          2HB       HIS  29 -18.390   7.872   6.669
  341   2HB   HIS  29          1HB       HIS  29 -18.222   6.177   7.088
  342    HD1  HIS  29          1HD       HIS  29 -16.744   9.567   7.820
  343    HD2  HIS  29          2HD       HIS  29 -16.305   5.608   8.985
  344    HE1  HIS  29          1HE       HIS  29 -15.388   9.608   9.910
  345    QB   HIS  29           QB       HIS  29 -18.306   7.024   6.879
  346    H    LYS  30           H        LYS  30 -17.148   4.315   6.023
  347    HA   LYS  30           HA       LYS  30 -14.537   3.757   6.938
  348   1HB   LYS  30          2HB       LYS  30 -16.527   1.807   5.738
  349   2HB   LYS  30          1HB       LYS  30 -15.092   1.375   6.642
  350   1HG   LYS  30          2HG       LYS  30 -17.447   2.892   7.746
  351   2HG   LYS  30          1HG       LYS  30 -17.116   1.179   7.995
  352   1HD   LYS  30          2HD       LYS  30 -14.973   1.800   9.084
  353   2HD   LYS  30          1HD       LYS  30 -15.403   3.498   8.902
  354   1HE   LYS  30          2HE       LYS  30 -17.437   3.097  10.250
  355   2HE   LYS  30          1HE       LYS  30 -16.924   1.424  10.467
  356   1HZ   LYS  30          1HZ       LYS  30 -14.942   2.216  11.590
  357   2HZ   LYS  30          3HZ       LYS  30 -15.457   3.825  11.415
  358   3HZ   LYS  30          2HZ       LYS  30 -16.341   2.739  12.352
  359    QB   LYS  30           QB       LYS  30 -15.809   1.591   6.190
  360    QD   LYS  30           QD       LYS  30 -15.188   2.649   8.993
  361    QG   LYS  30           QG       LYS  30 -17.282   2.036   7.870
  362    QE   LYS  30           QE       LYS  30 -17.181   2.261  10.358
  363    QZ   LYS  30           QZ       LYS  30 -15.580   2.927  11.786
  364    H    VAL  31           H        VAL  31 -15.998   3.611   3.785
  365    HA   VAL  31           HA       VAL  31 -14.000   2.221   2.395
  366    HB   VAL  31           HB       VAL  31 -16.044   4.233   1.417
  367   1HG1  VAL  31          1HG1      VAL  31 -14.293   2.391  -0.213
  368   2HG1  VAL  31          3HG1      VAL  31 -15.624   3.368  -0.837
  369   3HG1  VAL  31          2HG1      VAL  31 -14.194   4.152  -0.173
  370   1HG2  VAL  31          3HG2      VAL  31 -16.941   2.184   2.393
  371   2HG2  VAL  31          2HG2      VAL  31 -17.254   2.259   0.658
  372   3HG2  VAL  31          1HG2      VAL  31 -15.971   1.221   1.283
  373    MG1  VAL  31           QG1      VAL  31 -14.704   3.304  -0.408
  374    MG2  VAL  31           QG2      VAL  31 -16.722   1.888   1.445
  375    QG   VAL  31           QQG      VAL  31 -15.713   2.596   0.519
  376    H    ILE  32           H        ILE  32 -14.457   5.664   2.960
  377    HA   ILE  32           HA       ILE  32 -12.299   6.585   1.420
  378    HB   ILE  32           HB       ILE  32 -13.462   7.820   3.941
  379   1HG1  ILE  32          2HG1      ILE  32 -14.109   8.364   1.029
  380   2HG1  ILE  32          1HG1      ILE  32 -15.120   7.426   2.120
  381   1HG2  ILE  32          2HG2      ILE  32 -11.259   8.726   3.379
  382   2HG2  ILE  32          1HG2      ILE  32 -11.805   9.068   1.742
  383   3HG2  ILE  32          3HG2      ILE  32 -12.527   9.925   3.106
  384   1HD1  ILE  32          1HD1      ILE  32 -14.433  10.345   2.413
  385   2HD1  ILE  32          3HD1      ILE  32 -15.966   9.690   1.836
  386   3HD1  ILE  32          2HD1      ILE  32 -15.462   9.413   3.503
  387    MG   ILE  32           QG2      ILE  32 -11.864   9.240   2.743
  388    MD   ILE  32           QD1      ILE  32 -15.287   9.816   2.584
  389    QG   ILE  32           QG1      ILE  32 -14.615   7.895   1.575
  390    H    SER  33           H        SER  33 -12.489   5.416   4.717
  391    HA   SER  33           HA       SER  33  -9.850   6.081   5.472
  392   1HB   SER  33          2HB       SER  33 -11.781   5.600   7.035
  393   2HB   SER  33          1HB       SER  33 -11.621   3.900   6.617
  394    HG   SER  33           HG       SER  33  -9.848   3.753   7.779
  395    QB   SER  33           QB       SER  33 -11.701   4.750   6.826
  396    H    PHE  34           H        PHE  34 -11.339   3.186   4.030
  397    HA   PHE  34           HA       PHE  34  -8.984   1.568   4.102
  398   1HB   PHE  34          2HB       PHE  34 -11.259   1.371   2.124
  399   2HB   PHE  34          1HB       PHE  34 -10.107   0.107   2.512
  400    HD1  PHE  34          1HD       PHE  34 -10.188   0.250   5.499
  401    HD2  PHE  34          2HD       PHE  34 -13.257   0.445   2.585
  402    HE1  PHE  34          1HE       PHE  34 -11.797  -0.653   7.141
  403    HE2  PHE  34          2HE       PHE  34 -14.880  -0.439   4.215
  404    HZ   PHE  34           HZ       PHE  34 -14.147  -0.988   6.493
  405    QB   PHE  34           QB       PHE  34 -10.683   0.739   2.318
  406    QD   PHE  34           QD       PHE  34 -11.723   0.348   4.042
  407    QE   PHE  34           QE       PHE  34 -13.338  -0.546   5.678
  408    QR   PHE  34           QR       PHE  34 -12.854  -0.277   5.187
  409    H    SER  35           H        SER  35 -10.315   3.882   1.876
  410    HA   SER  35           HA       SER  35  -8.647   3.472  -0.322
  411   1HB   SER  35          2HB       SER  35 -10.684   4.860  -0.420
  412   2HB   SER  35          1HB       SER  35  -9.957   6.025   0.677
  413    HG   SER  35           HG       SER  35  -9.031   5.350  -1.919
  414    QB   SER  35           QB       SER  35 -10.321   5.442   0.128
  415    H    GLN  36           H        GLN  36  -8.243   5.351   2.628
  416    HA   GLN  36           HA       GLN  36  -5.815   6.564   1.873
  417   1HB   GLN  36          2HB       GLN  36  -6.825   5.993   4.667
  418   2HB   GLN  36          1HB       GLN  36  -5.532   7.114   4.244
  419   1HG   GLN  36          2HG       GLN  36  -8.418   7.328   3.434
  420   2HG   GLN  36          1HG       GLN  36  -7.585   8.315   4.636
  421   1HE2  GLN  36          1HE2      GLN  36  -8.943   8.932   2.078
  422   2HE2  GLN  36          2HE2      GLN  36  -7.797   9.859   1.179
  423    QB   GLN  36           QB       GLN  36  -6.178   6.553   4.456
  424    QG   GLN  36           QG       GLN  36  -8.002   7.822   4.035
  425    QE   GLN  36           QE2      GLN  36  -8.370   9.396   1.629
  426    H    GLU  37           H        GLU  37  -6.574   3.493   3.362
  427    HA   GLU  37           HA       GLU  37  -3.972   2.709   4.111
  428   1HB   GLU  37          2HB       GLU  37  -6.266   1.028   3.109
  429   2HB   GLU  37          1HB       GLU  37  -4.794   0.383   3.803
  430   1HG   GLU  37          2HG       GLU  37  -5.335   1.436   5.926
  431   2HG   GLU  37          1HG       GLU  37  -6.806   2.109   5.219
  432    QB   GLU  37           QB       GLU  37  -5.530   0.705   3.456
  433    QG   GLU  37           QG       GLU  37  -6.070   1.773   5.572
  434    H    LEU  38           H        LEU  38  -5.812   2.261   1.143
  435    HA   LEU  38           HA       LEU  38  -3.835   0.834  -0.273
  436   1HB   LEU  38          2HB       LEU  38  -6.300   0.885  -0.783
  437   2HB   LEU  38          1HB       LEU  38  -6.111   2.515  -1.374
  438    HG   LEU  38           HG       LEU  38  -6.324   0.720  -3.135
  439   1HD1  LEU  38          3HD1      LEU  38  -5.390   2.882  -3.745
  440   2HD1  LEU  38          2HD1      LEU  38  -3.785   2.333  -3.263
  441   3HD1  LEU  38          1HD1      LEU  38  -4.605   1.572  -4.625
  442   1HD2  LEU  38          1HD2      LEU  38  -3.572  -0.020  -2.172
  443   2HD2  LEU  38          3HD2      LEU  38  -5.030  -1.009  -2.064
  444   3HD2  LEU  38          2HD2      LEU  38  -4.332  -0.618  -3.638
  445    MD1  LEU  38           QD1      LEU  38  -4.594   2.263  -3.878
  446    MD2  LEU  38           QD2      LEU  38  -4.311  -0.549  -2.625
  447    QB   LEU  38           QB       LEU  38  -6.205   1.700  -1.078
  448    QD   LEU  38           QQD      LEU  38  -4.452   0.857  -3.251
  449    H    ASP  39           H        ASP  39  -4.755   4.237  -0.236
  450    HA   ASP  39           HA       ASP  39  -2.941   5.248  -2.075
  451   1HB   ASP  39          2HB       ASP  39  -4.739   6.598  -1.136
  452   2HB   ASP  39          1HB       ASP  39  -3.985   6.531   0.454
  453    QB   ASP  39           QB       ASP  39  -4.362   6.565  -0.341
  454    H    ARG  40           H        ARG  40  -2.566   4.891   1.429
  455    HA   ARG  40           HA       ARG  40   0.065   5.898   1.454
  456   1HB   ARG  40          2HB       ARG  40  -1.289   4.173   3.521
  457   2HB   ARG  40          1HB       ARG  40   0.250   4.987   3.743
  458   1HG   ARG  40          2HG       ARG  40  -2.483   6.201   3.491
  459   2HG   ARG  40          1HG       ARG  40  -1.335   6.327   4.825
  460   1HD   ARG  40          2HD       ARG  40   0.197   7.535   3.206
  461   2HD   ARG  40          1HD       ARG  40  -1.177   7.606   2.103
  462    HE   ARG  40           HE       ARG  40  -1.240   8.704   4.806
  463   1HH1  ARG  40          1HH1      ARG  40  -2.095   9.073   1.334
  464   2HH1  ARG  40          2HH1      ARG  40  -2.602  10.663   1.513
  465   1HH2  ARG  40          1HH2      ARG  40  -1.940  10.904   5.005
  466   2HH2  ARG  40          2HH2      ARG  40  -2.485  11.751   3.645
  467    QB   ARG  40           QB       ARG  40  -0.519   4.580   3.632
  468    QG   ARG  40           QG       ARG  40  -1.909   6.264   4.158
  469    QD   ARG  40           QD       ARG  40  -0.490   7.571   2.655
  470    QH1  ARG  40           QH1      ARG  40  -2.349   9.868   1.424
  471    QH2  ARG  40           QH2      ARG  40  -2.212  11.328   4.325
  472    H    LEU  41           H        LEU  41  -1.188   2.649   1.073
  473    HA   LEU  41           HA       LEU  41   1.221   1.244   1.368
  474   1HB   LEU  41          2HB       LEU  41  -1.446   0.684   0.851
  475   2HB   LEU  41          1HB       LEU  41  -0.654   0.226  -0.637
  476    HG   LEU  41           HG       LEU  41  -0.944  -1.672   0.766
  477   1HD1  LEU  41          3HD1      LEU  41   1.947  -0.844   0.692
  478   2HD1  LEU  41          2HD1      LEU  41   1.371  -2.494   0.963
  479   3HD1  LEU  41          1HD1      LEU  41   1.050  -1.682  -0.572
  480   1HD2  LEU  41          3HD2      LEU  41  -1.079  -0.608   2.930
  481   2HD2  LEU  41          2HD2      LEU  41   0.132  -1.884   2.963
  482   3HD2  LEU  41          1HD2      LEU  41   0.634  -0.196   2.868
  483    MD1  LEU  41           QD1      LEU  41   1.456  -1.674   0.361
  484    MD2  LEU  41           QD2      LEU  41  -0.104  -0.896   2.921
  485    QB   LEU  41           QB       LEU  41  -1.050   0.455   0.107
  486    QD   LEU  41           QQD      LEU  41   0.676  -1.285   1.641
  487    H    LEU  42           H        LEU  42  -0.382   2.739  -1.396
  488    HA   LEU  42           HA       LEU  42   1.586   2.014  -3.333
  489   1HB   LEU  42          2HB       LEU  42  -0.839   2.638  -3.742
  490   2HB   LEU  42          1HB       LEU  42  -0.404   4.300  -3.430
  491    HG   LEU  42           HG       LEU  42   0.749   2.681  -5.719
  492   1HD1  LEU  42          2HD1      LEU  42  -1.628   4.534  -5.695
  493   2HD1  LEU  42          1HD1      LEU  42  -0.883   3.835  -7.133
  494   3HD1  LEU  42          3HD1      LEU  42  -1.664   2.789  -5.949
  495   1HD2  LEU  42          2HD2      LEU  42   2.019   4.706  -5.089
  496   2HD2  LEU  42          1HD2      LEU  42   1.264   4.863  -6.674
  497   3HD2  LEU  42          3HD2      LEU  42   0.551   5.665  -5.276
  498    MD1  LEU  42           QD1      LEU  42  -1.392   3.719  -6.259
  499    MD2  LEU  42           QD2      LEU  42   1.278   5.078  -5.680
  500    QB   LEU  42           QB       LEU  42  -0.621   3.469  -3.586
  501    QD   LEU  42           QQD      LEU  42  -0.057   4.399  -5.969
  502    H    ASN  43           H        ASN  43   1.105   4.748  -1.201
  503    HA   ASN  43           HA       ASN  43   3.244   6.313  -2.222
  504   1HB   ASN  43          2HB       ASN  43   1.860   6.392   0.457
  505   2HB   ASN  43          1HB       ASN  43   3.277   7.373   0.153
  506   1HD2  ASN  43          1HD2      ASN  43   0.741   6.699  -2.231
  507   2HD2  ASN  43          2HD2      ASN  43   0.136   8.304  -2.301
  508    QB   ASN  43           QB       ASN  43   2.569   6.882   0.305
  509    QD   ASN  43           QD2      ASN  43   0.439   7.501  -2.266
  510    H    LEU  44           H        LEU  44   3.157   3.683   0.075
  511    HA   LEU  44           HA       LEU  44   5.796   3.890   1.065
  512   1HB   LEU  44          2HB       LEU  44   4.137   1.417   0.553
  513   2HB   LEU  44          1HB       LEU  44   5.652   1.425   1.417
  514    HG   LEU  44           HG       LEU  44   3.118   2.791   2.324
  515   1HD1  LEU  44          1HD1      LEU  44   2.990   0.340   2.330
  516   2HD1  LEU  44          3HD1      LEU  44   4.470   0.272   3.281
  517   3HD1  LEU  44          2HD1      LEU  44   3.012   0.993   3.969
  518   1HD2  LEU  44          1HD2      LEU  44   5.771   2.374   3.712
  519   2HD2  LEU  44          3HD2      LEU  44   5.138   3.917   3.137
  520   3HD2  LEU  44          2HD2      LEU  44   4.325   3.061   4.448
  521    MD1  LEU  44           QD1      LEU  44   3.491   0.535   3.193
  522    MD2  LEU  44           QD2      LEU  44   5.078   3.117   3.766
  523    QB   LEU  44           QB       LEU  44   4.895   1.421   0.985
  524    QD   LEU  44           QQD      LEU  44   4.284   1.826   3.479
  525    H    LEU  45           H        LEU  45   4.402   2.242  -1.690
  526    HA   LEU  45           HA       LEU  45   6.640   0.946  -2.716
  527   1HB   LEU  45          2HB       LEU  45   4.322   0.600  -3.428
  528   2HB   LEU  45          1HB       LEU  45   4.313   2.175  -4.187
  529    HG   LEU  45           HG       LEU  45   6.150   1.324  -5.695
  530   1HD1  LEU  45          3HD1      LEU  45   5.330  -1.314  -4.505
  531   2HD1  LEU  45          2HD1      LEU  45   6.334  -1.113  -5.938
  532   3HD1  LEU  45          1HD1      LEU  45   6.909  -0.544  -4.368
  533   1HD2  LEU  45          2HD2      LEU  45   3.445   0.004  -5.769
  534   2HD2  LEU  45          1HD2      LEU  45   3.858   1.565  -6.447
  535   3HD2  LEU  45          3HD2      LEU  45   4.559   0.097  -7.140
  536    MD1  LEU  45           QD1      LEU  45   6.191  -0.990  -4.937
  537    MD2  LEU  45           QD2      LEU  45   3.954   0.555  -6.452
  538    QB   LEU  45           QB       LEU  45   4.318   1.388  -3.808
  539    QD   LEU  45           QQD      LEU  45   5.072  -0.218  -5.695
  540    H    ILE  46           H        ILE  46   5.453   4.210  -3.260
  541    HA   ILE  46           HA       ILE  46   7.461   4.957  -5.137
  542    HB   ILE  46           HB       ILE  46   5.683   6.695  -3.396
  543   1HG1  ILE  46          2HG1      ILE  46   5.338   5.849  -6.285
  544   2HG1  ILE  46          1HG1      ILE  46   4.451   5.176  -4.923
  545   1HG2  ILE  46          3HG2      ILE  46   7.618   7.940  -4.202
  546   2HG2  ILE  46          2HG2      ILE  46   7.276   7.428  -5.858
  547   3HG2  ILE  46          1HG2      ILE  46   6.142   8.478  -5.005
  548   1HD1  ILE  46          2HD1      ILE  46   4.356   8.043  -5.854
  549   2HD1  ILE  46          1HD1      ILE  46   3.120   6.812  -6.135
  550   3HD1  ILE  46          3HD1      ILE  46   3.462   7.361  -4.495
  551    MG   ILE  46           QG2      ILE  46   7.012   7.949  -5.022
  552    MD   ILE  46           QD1      ILE  46   3.646   7.405  -5.495
  553    QG   ILE  46           QG1      ILE  46   4.894   5.512  -5.604
  554    H    GLU  47           H        GLU  47   6.995   5.572  -1.654
  555    HA   GLU  47           HA       GLU  47   9.254   7.241  -1.349
  556   1HB   GLU  47          2HB       GLU  47   7.253   7.111   0.210
  557   2HB   GLU  47          1HB       GLU  47   7.945   5.626   0.839
  558   1HG   GLU  47          2HG       GLU  47   9.978   6.882   1.470
  559   2HG   GLU  47          1HG       GLU  47   9.201   8.358   0.923
  560    QB   GLU  47           QB       GLU  47   7.599   6.368   0.525
  561    QG   GLU  47           QG       GLU  47   9.590   7.620   1.196
  562    H    LEU  48           H        LEU  48   8.802   3.789  -1.126
  563    HA   LEU  48           HA       LEU  48  11.129   3.101   0.220
  564   1HB   LEU  48          2HB       LEU  48   9.190   1.580  -0.294
  565   2HB   LEU  48          1HB       LEU  48   9.737   1.503  -1.946
  566    HG   LEU  48           HG       LEU  48  10.250  -0.510  -0.508
  567   1HD1  LEU  48          2HD1      LEU  48  12.633   0.843  -1.746
  568   2HD1  LEU  48          1HD1      LEU  48  12.508  -0.869  -1.340
  569   3HD1  LEU  48          3HD1      LEU  48  11.461  -0.177  -2.579
  570   1HD2  LEU  48          3HD2      LEU  48  12.218   1.379   0.783
  571   2HD2  LEU  48          2HD2      LEU  48  10.832   0.612   1.555
  572   3HD2  LEU  48          1HD2      LEU  48  12.187  -0.369   0.997
  573    MD1  LEU  48           QD1      LEU  48  12.201  -0.068  -1.888
  574    MD2  LEU  48           QD2      LEU  48  11.746   0.541   1.112
  575    QB   LEU  48           QB       LEU  48   9.464   1.541  -1.120
  576    QD   LEU  48           QQD      LEU  48  11.973   0.236  -0.388
  577    H    LYS  49           H        LYS  49  10.556   3.791  -3.174
  578    HA   LYS  49           HA       LYS  49  13.119   2.985  -4.120
  579   1HB   LYS  49          2HB       LYS  49  11.117   4.915  -5.303
  580   2HB   LYS  49          1HB       LYS  49  12.525   4.284  -6.143
  581   1HG   LYS  49          2HG       LYS  49  11.628   2.036  -5.958
  582   2HG   LYS  49          1HG       LYS  49  10.211   2.668  -5.112
  583   1HD   LYS  49          2HD       LYS  49   9.612   3.976  -7.069
  584   2HD   LYS  49          1HD       LYS  49  11.053   3.404  -7.914
  585   1HE   LYS  49          2HE       LYS  49   9.083   2.166  -8.621
  586   2HE   LYS  49          1HE       LYS  49  10.208   1.111  -7.770
  587   1HZ   LYS  49          2HZ       LYS  49   8.824   1.357  -5.785
  588   2HZ   LYS  49          1HZ       LYS  49   7.742   2.320  -6.641
  589   3HZ   LYS  49          3HZ       LYS  49   7.966   0.704  -7.081
  590    QB   LYS  49           QB       LYS  49  11.821   4.599  -5.723
  591    QD   LYS  49           QD       LYS  49  10.332   3.690  -7.491
  592    QG   LYS  49           QG       LYS  49  10.920   2.352  -5.535
  593    QE   LYS  49           QE       LYS  49   9.645   1.638  -8.195
  594    QZ   LYS  49           QZ       LYS  49   8.178   1.460  -6.503
  595    H    THR  50           H        THR  50  11.776   5.906  -2.804
  596    HA   THR  50           HA       THR  50  13.875   7.638  -3.498
  597    HB   THR  50           HB       THR  50  11.959   7.857  -1.168
  598    HG1  THR  50          1HG       THR  50  10.599   8.913  -2.658
  599   1HG2  THR  50          1HG2      THR  50  13.775   9.526  -1.210
  600   2HG2  THR  50          3HG2      THR  50  13.321   9.970  -2.857
  601   3HG2  THR  50          2HG2      THR  50  12.207  10.268  -1.523
  602    MG   THR  50           QG2      THR  50  13.101   9.921  -1.864
  603    H    LYS  51           H        LYS  51  13.109   5.681  -0.633
  604    HA   LYS  51           HA       LYS  51  15.372   6.735   0.739
  605   1HB   LYS  51          2HB       LYS  51  14.540   5.533   2.685
  606   2HB   LYS  51          1HB       LYS  51  13.285   6.506   1.937
  607   1HG   LYS  51          2HG       LYS  51  12.724   4.202   0.774
  608   2HG   LYS  51          1HG       LYS  51  13.526   3.562   2.206
  609   1HD   LYS  51          2HD       LYS  51  11.116   5.379   2.115
  610   2HD   LYS  51          1HD       LYS  51  11.167   3.708   2.660
  611   1HE   LYS  51          2HE       LYS  51  12.553   4.348   4.544
  612   2HE   LYS  51          1HE       LYS  51  12.592   6.015   3.979
  613   1HZ   LYS  51          3HZ       LYS  51  10.164   6.118   4.277
  614   2HZ   LYS  51          2HZ       LYS  51  10.180   4.531   4.849
  615   3HZ   LYS  51          1HZ       LYS  51  10.961   5.721   5.714
  616    QB   LYS  51           QB       LYS  51  13.913   6.020   2.311
  617    QD   LYS  51           QD       LYS  51  11.141   4.544   2.387
  618    QG   LYS  51           QG       LYS  51  13.125   3.882   1.490
  619    QE   LYS  51           QE       LYS  51  12.572   5.181   4.261
  620    QZ   LYS  51           QZ       LYS  51  10.435   5.457   4.947
  621    H    LYS  52           H        LYS  52  14.365   3.419  -0.206
  622    HA   LYS  52           HA       LYS  52  15.338   1.421  -0.120
  623   1HB   LYS  52          2HB       LYS  52  17.301   1.082  -1.555
  624   2HB   LYS  52          1HB       LYS  52  16.102   2.123  -2.290
  625   1HG   LYS  52          2HG       LYS  52  17.466   4.060  -1.830
  626   2HG   LYS  52          1HG       LYS  52  18.636   3.060  -0.966
  627   1HD   LYS  52          2HD       LYS  52  19.074   1.814  -3.018
  628   2HD   LYS  52          1HD       LYS  52  17.908   2.818  -3.880
  629   1HE   LYS  52          2HE       LYS  52  19.250   4.778  -3.507
  630   2HE   LYS  52          1HE       LYS  52  20.368   3.868  -2.494
  631   1HZ   LYS  52          3HZ       LYS  52  19.874   3.384  -5.375
  632   2HZ   LYS  52          2HZ       LYS  52  21.206   4.188  -4.745
  633   3HZ   LYS  52          1HZ       LYS  52  20.962   2.543  -4.408
  634    QB   LYS  52           QB       LYS  52  16.702   1.602  -1.922
  635    QD   LYS  52           QD       LYS  52  18.491   2.316  -3.449
  636    QG   LYS  52           QG       LYS  52  18.051   3.560  -1.398
  637    QE   LYS  52           QE       LYS  52  19.809   4.323  -3.000
  638    QZ   LYS  52           QZ       LYS  52  20.681   3.372  -4.842
  639    H    LYS  53           H        LYS  53  17.142   3.669   1.539
  640    HA   LYS  53           HA       LYS  53  19.127   2.104   2.740
  641   1HB   LYS  53          2HB       LYS  53  19.228   3.950   4.374
  642   2HB   LYS  53          1HB       LYS  53  19.256   4.499   2.704
  643   1HG   LYS  53          2HG       LYS  53  16.812   5.004   2.899
  644   2HG   LYS  53          1HG       LYS  53  16.913   4.600   4.605
  645   1HD   LYS  53          2HD       LYS  53  18.479   6.799   3.237
  646   2HD   LYS  53          1HD       LYS  53  16.996   7.042   4.142
  647   1HE   LYS  53          2HE       LYS  53  18.727   7.664   5.614
  648   2HE   LYS  53          1HE       LYS  53  18.238   6.063   6.146
  649   1HZ   LYS  53          2HZ       LYS  53  20.582   6.484   4.353
  650   2HZ   LYS  53          1HZ       LYS  53  20.696   6.478   6.032
  651   3HZ   LYS  53          3HZ       LYS  53  20.196   5.110   5.233
  652    QB   LYS  53           QB       LYS  53  19.242   4.224   3.539
  653    QD   LYS  53           QD       LYS  53  17.737   6.921   3.690
  654    QG   LYS  53           QG       LYS  53  16.863   4.802   3.752
  655    QE   LYS  53           QE       LYS  53  18.482   6.864   5.880
  656    QZ   LYS  53           QZ       LYS  53  20.492   6.024   5.206
  657    H    ARG  54           H        ARG  54  15.717   2.318   3.376
  658    HA   ARG  54           HA       ARG  54  15.828   1.195   5.987
  659   1HB   ARG  54          2HB       ARG  54  13.987   2.591   5.398
  660   2HB   ARG  54          1HB       ARG  54  13.701   1.694   3.908
  661   1HG   ARG  54          2HG       ARG  54  11.973   1.222   5.441
  662   2HG   ARG  54          1HG       ARG  54  13.015  -0.191   5.239
  663   1HD   ARG  54          2HD       ARG  54  12.397   0.062   7.601
  664   2HD   ARG  54          1HD       ARG  54  14.121   0.324   7.371
  665    HE   ARG  54           HE       ARG  54  12.602   2.758   7.359
  666   1HH1  ARG  54          1HH1      ARG  54  14.097   0.376   9.506
  667   2HH1  ARG  54          2HH1      ARG  54  14.237   1.440  10.824
  668   1HH2  ARG  54          1HH2      ARG  54  12.767   4.212   9.211
  669   2HH2  ARG  54          2HH2      ARG  54  13.499   3.662  10.641
  670    QB   ARG  54           QB       ARG  54  13.844   2.142   4.653
  671    QG   ARG  54           QG       ARG  54  12.494   0.516   5.340
  672    QD   ARG  54           QD       ARG  54  13.259   0.193   7.486
  673    QH1  ARG  54           QH1      ARG  54  14.167   0.908  10.165
  674    QH2  ARG  54           QH2      ARG  54  13.133   3.937   9.926
  675    H    TYR  55           H        TYR  55  15.874  -0.912   6.368
  676    HA   TYR  55           HA       TYR  55  16.850  -2.674   4.326
  677   1HB   TYR  55          2HB       TYR  55  16.210  -3.249   7.207
  678   2HB   TYR  55          1HB       TYR  55  16.993  -4.380   6.108
  679    HD1  TYR  55          1HD       TYR  55  17.601  -2.189   8.634
  680    HD2  TYR  55          2HD       TYR  55  19.009  -3.155   4.780
  681    HE1  TYR  55          1HE       TYR  55  19.775  -1.205   9.219
  682    HE2  TYR  55          2HE       TYR  55  21.238  -2.178   5.337
  683    HH   TYR  55           HH       TYR  55  22.240  -0.656   6.900
  684    QB   TYR  55           QB       TYR  55  16.601  -3.814   6.658
  685    QD   TYR  55           QD       TYR  55  18.305  -2.672   6.707
  686    QE   TYR  55           QE       TYR  55  20.507  -1.691   7.278
  687    QR   TYR  55           QR       TYR  55  19.406  -2.182   6.992
  688    H    SER  56           H        SER  56  14.185  -1.923   3.975
  689    HA   SER  56           HA       SER  56  12.359  -4.089   4.410
  690   1HB   SER  56          2HB       SER  56  11.569  -1.797   4.022
  691   2HB   SER  56          1HB       SER  56  12.305  -1.808   2.428
  692    HG   SER  56           HG       SER  56  10.099  -3.344   3.325
  693    QB   SER  56           QB       SER  56  11.937  -1.802   3.225
  694    H    LEU  57           H        LEU  57  14.510  -3.059   1.859
  695    HA   LEU  57           HA       LEU  57  13.697  -4.784  -0.196
  696   1HB   LEU  57          2HB       LEU  57  16.443  -3.597   0.320
  697   2HB   LEU  57          1HB       LEU  57  15.961  -4.368  -1.169
  698    HG   LEU  57           HG       LEU  57  14.254  -2.453  -1.455
  699   1HD1  LEU  57          1HD1      LEU  57  14.124  -1.715   0.821
  700   2HD1  LEU  57          3HD1      LEU  57  15.812  -1.196   0.758
  701   3HD1  LEU  57          2HD1      LEU  57  14.601  -0.433  -0.279
  702   1HD2  LEU  57          3HD2      LEU  57  17.180  -1.757  -1.355
  703   2HD2  LEU  57          2HD2      LEU  57  16.341  -2.537  -2.698
  704   3HD2  LEU  57          1HD2      LEU  57  15.930  -0.884  -2.242
  705    MD1  LEU  57           QD1      LEU  57  14.846  -1.115   0.433
  706    MD2  LEU  57           QD2      LEU  57  16.483  -1.726  -2.098
  707    QB   LEU  57           QB       LEU  57  16.202  -3.982  -0.424
  708    QD   LEU  57           QQD      LEU  57  15.665  -1.420  -0.833
  709    H    LEU  58           H        LEU  58  15.813  -5.148   2.500
  710    HA   LEU  58           HA       LEU  58  16.731  -7.766   1.668
  711   1HB   LEU  58          2HB       LEU  58  17.294  -6.116   4.125
  712   2HB   LEU  58          1HB       LEU  58  17.866  -7.751   3.938
  713    HG   LEU  58           HG       LEU  58  19.177  -6.982   1.932
  714   1HD1  LEU  58          1HD1      LEU  58  18.407  -4.238   2.902
  715   2HD1  LEU  58          3HD1      LEU  58  19.628  -4.599   1.681
  716   3HD1  LEU  58          2HD1      LEU  58  17.931  -4.975   1.374
  717   1HD2  LEU  58          1HD2      LEU  58  20.175  -7.295   4.119
  718   2HD2  LEU  58          3HD2      LEU  58  20.928  -5.966   3.246
  719   3HD2  LEU  58          2HD2      LEU  58  19.783  -5.628   4.547
  720    MD1  LEU  58           QD1      LEU  58  18.655  -4.604   1.985
  721    MD2  LEU  58           QD2      LEU  58  20.296  -6.296   3.971
  722    QB   LEU  58           QB       LEU  58  17.580  -6.934   4.031
  723    QD   LEU  58           QQD      LEU  58  19.475  -5.450   2.978
  724    H    GLU  59           H        GLU  59  15.110  -6.440   4.549
  725    HA   GLU  59           HA       GLU  59  14.288  -9.125   5.265
  726   1HB   GLU  59          2HB       GLU  59  14.108  -6.570   6.847
  727   2HB   GLU  59          1HB       GLU  59  13.784  -8.192   7.445
  728   1HG   GLU  59          2HG       GLU  59  16.130  -8.784   7.011
  729   2HG   GLU  59          1HG       GLU  59  16.421  -7.142   6.462
  730    QB   GLU  59           QB       GLU  59  13.946  -7.381   7.146
  731    QG   GLU  59           QG       GLU  59  16.276  -7.963   6.737
  732    H    HIS  60           H        HIS  60  12.417  -6.501   6.332
  733    HA   HIS  60           HA       HIS  60  10.215  -6.910   4.527
  734   1HB   HIS  60          2HB       HIS  60   9.955  -8.942   5.822
  735   2HB   HIS  60          1HB       HIS  60  10.156  -8.075   7.329
  736    HD1  HIS  60          1HD       HIS  60   7.551  -8.917   4.723
  737    HD2  HIS  60          2HD       HIS  60   7.864  -6.784   8.279
  738    HE1  HIS  60          1HE       HIS  60   5.204  -8.432   5.460
  739    QB   HIS  60           QB       HIS  60  10.056  -8.509   6.575
  740    H    HIS  61           H        HIS  61   8.552  -5.381   4.875
  741    HA   HIS  61           HA       HIS  61   8.810  -3.560   7.126
  742   1HB   HIS  61          2HB       HIS  61   9.984  -2.525   5.169
  743   2HB   HIS  61          1HB       HIS  61   8.498  -2.664   4.242
  744    HD1  HIS  61          1HD       HIS  61   6.510  -0.985   4.944
  745    HD2  HIS  61          2HD       HIS  61  10.135  -0.422   6.904
  746    HE1  HIS  61          1HE       HIS  61   6.376   1.270   6.024
  747    QB   HIS  61           QB       HIS  61   9.241  -2.594   4.705
  748    H    HIS  62           H        HIS  62   6.817  -2.892   7.794
  749    HA   HIS  62           HA       HIS  62   4.539  -3.799   6.195
  750   1HB   HIS  62          2HB       HIS  62   4.931  -5.107   8.348
  751   2HB   HIS  62          1HB       HIS  62   4.613  -3.627   9.230
  752    HD1  HIS  62          1HD       HIS  62   2.930  -6.514   7.684
  753    HD2  HIS  62          2HD       HIS  62   1.880  -2.708   8.966
  754    HE1  HIS  62          1HE       HIS  62   0.438  -6.515   7.896
  755    QB   HIS  62           QB       HIS  62   4.772  -4.367   8.789
  756    H    HIS  63           H        HIS  63   4.692  -1.807   9.135
  757    HA   HIS  63           HA       HIS  63   4.251   0.640   7.648
  758   1HB   HIS  63          2HB       HIS  63   2.272  -0.494   9.646
  759   2HB   HIS  63          1HB       HIS  63   2.348   1.218   9.288
  760    HD1  HIS  63          1HD       HIS  63   0.300  -1.513   8.523
  761    HD2  HIS  63          2HD       HIS  63   2.105   1.420   6.197
  762    HE1  HIS  63          1HE       HIS  63  -1.062  -1.350   6.406
  763    QB   HIS  63           QB       HIS  63   2.310   0.362   9.467
  764    H    HIS  64           H        HIS  64   4.021   2.472   9.513
  765    HA   HIS  64           HA       HIS  64   5.911   1.771  11.571
  766   1HB   HIS  64          2HB       HIS  64   5.394   4.334  10.090
  767   2HB   HIS  64          1HB       HIS  64   6.145   4.327  11.673
  768    HD1  HIS  64          1HD       HIS  64   8.259   2.257  11.540
  769    HD2  HIS  64          2HD       HIS  64   7.301   4.580   8.232
  770    HE1  HIS  64          1HE       HIS  64  10.271   2.174  10.035
  771    QB   HIS  64           QB       HIS  64   5.769   4.331  10.882

  No H/Q in entry =         771
  Start of MODEL    6
    1    H1   MET   1          2HT       MET   1  12.917  -9.279   1.560
    2    H2   MET   1          1HT       MET   1  14.383  -8.513   1.568
    3    H3   MET   1          3HT       MET   1  13.554  -8.725   3.023
    4    HA   MET   1           HA       MET   1  11.795  -7.277   2.225
    5   1HB   MET   1          2HB       MET   1  13.760  -6.326   3.438
    6   2HB   MET   1          1HB       MET   1  14.551  -6.057   1.895
    7   1HG   MET   1          2HG       MET   1  12.825  -4.470   1.265
    8   2HG   MET   1          1HG       MET   1  11.977  -4.777   2.777
    9   1HE   MET   1          1HE       MET   1  12.988  -4.184   5.185
   10   2HE   MET   1          3HE       MET   1  14.517  -4.997   4.835
   11   3HE   MET   1          2HE       MET   1  14.511  -3.336   5.422
   12    QB   MET   1           QB       MET   1  14.155  -6.192   2.666
   13    QG   MET   1           QG       MET   1  12.401  -4.624   2.021
   14    ME   MET   1           QE       MET   1  14.005  -4.172   5.148
   15    H    ASN   2           H        ASN   2  10.655  -7.288   0.364
   16    HA   ASN   2           HA       ASN   2  12.055  -6.648  -2.134
   17   1HB   ASN   2          2HB       ASN   2  10.100  -8.915  -1.687
   18   2HB   ASN   2          1HB       ASN   2  10.487  -8.278  -3.275
   19   1HD2  ASN   2          1HD2      ASN   2  10.876 -10.945  -2.132
   20   2HD2  ASN   2          2HD2      ASN   2  12.553 -11.283  -2.284
   21    QB   ASN   2           QB       ASN   2  10.293  -8.597  -2.481
   22    QD   ASN   2           QD2      ASN   2  11.714 -11.114  -2.208
   23    H    VAL   3           H        VAL   3  11.089  -4.999  -3.132
   24    HA   VAL   3           HA       VAL   3   8.692  -3.904  -2.110
   25    HB   VAL   3           HB       VAL   3   8.752  -2.276  -3.922
   26   1HG1  VAL   3          3HG1      VAL   3  11.446  -2.760  -2.679
   27   2HG1  VAL   3          2HG1      VAL   3  10.937  -1.247  -3.429
   28   3HG1  VAL   3          1HG1      VAL   3  10.109  -1.844  -1.989
   29   1HG2  VAL   3          3HG2      VAL   3   9.514  -3.705  -5.763
   30   2HG2  VAL   3          2HG2      VAL   3  10.530  -2.270  -5.621
   31   3HG2  VAL   3          1HG2      VAL   3  11.108  -3.822  -5.021
   32    MG1  VAL   3           QG1      VAL   3  10.831  -1.950  -2.699
   33    MG2  VAL   3           QG2      VAL   3  10.384  -3.266  -5.468
   34    QG   VAL   3           QQG      VAL   3  10.607  -2.608  -4.084
   35    H    THR   4           H        THR   4   9.335  -6.187  -4.609
   36    HA   THR   4           HA       THR   4   6.914  -5.932  -5.988
   37    HB   THR   4           HB       THR   4   8.749  -7.271  -6.938
   38    HG1  THR   4          1HG       THR   4   6.842  -7.779  -7.821
   39   1HG2  THR   4          1HG2      THR   4   8.084  -9.265  -4.777
   40   2HG2  THR   4          3HG2      THR   4   9.134  -9.593  -6.158
   41   3HG2  THR   4          2HG2      THR   4   9.596  -8.367  -4.975
   42    MG   THR   4           QG2      THR   4   8.938  -9.075  -5.303
   43    H    LYS   5           H        LYS   5   7.637  -7.560  -2.990
   44    HA   LYS   5           HA       LYS   5   5.029  -8.633  -2.920
   45   1HB   LYS   5          2HB       LYS   5   7.327  -8.845  -1.041
   46   2HB   LYS   5          1HB       LYS   5   5.710  -9.162  -0.418
   47   1HG   LYS   5          2HG       LYS   5   6.866 -10.525  -2.844
   48   2HG   LYS   5          1HG       LYS   5   6.910 -11.198  -1.211
   49   1HD   LYS   5          2HD       LYS   5   4.490 -11.225  -1.101
   50   2HD   LYS   5          1HD       LYS   5   4.342 -10.390  -2.634
   51   1HE   LYS   5          2HE       LYS   5   5.352 -12.351  -3.748
   52   2HE   LYS   5          1HE       LYS   5   5.416 -13.174  -2.187
   53   1HZ   LYS   5          1HZ       LYS   5   2.910 -12.205  -3.505
   54   2HZ   LYS   5          3HZ       LYS   5   3.431 -13.809  -3.465
   55   3HZ   LYS   5          2HZ       LYS   5   3.014 -13.032  -2.049
   56    QB   LYS   5           QB       LYS   5   6.518  -9.003  -0.729
   57    QD   LYS   5           QD       LYS   5   4.416 -10.807  -1.867
   58    QG   LYS   5           QG       LYS   5   6.888 -10.861  -2.027
   59    QE   LYS   5           QE       LYS   5   5.384 -12.763  -2.967
   60    QZ   LYS   5           QZ       LYS   5   3.119 -13.015  -3.006
   61    H    LEU   6           H        LEU   6   6.456  -5.743  -1.843
   62    HA   LEU   6           HA       LEU   6   4.287  -4.920  -0.204
   63   1HB   LEU   6          2HB       LEU   6   6.560  -3.790  -0.299
   64   2HB   LEU   6          1HB       LEU   6   6.094  -3.218  -1.895
   65    HG   LEU   6           HG       LEU   6   4.378  -1.784  -0.967
   66   1HD1  LEU   6          2HD1      LEU   6   5.136  -2.963   1.703
   67   2HD1  LEU   6          1HD1      LEU   6   4.060  -1.584   1.456
   68   3HD1  LEU   6          3HD1      LEU   6   3.607  -3.174   0.851
   69   1HD2  LEU   6          1HD2      LEU   6   6.682  -0.933  -1.034
   70   2HD2  LEU   6          3HD2      LEU   6   5.765  -0.254   0.307
   71   3HD2  LEU   6          2HD2      LEU   6   6.941  -1.532   0.602
   72    MD1  LEU   6           QD1      LEU   6   4.268  -2.574   1.337
   73    MD2  LEU   6           QD2      LEU   6   6.463  -0.906  -0.041
   74    QB   LEU   6           QB       LEU   6   6.327  -3.504  -1.097
   75    QD   LEU   6           QQD      LEU   6   5.365  -1.740   0.648
   76    H    ASN   7           H        ASN   7   5.097  -4.530  -3.639
   77    HA   ASN   7           HA       ASN   7   2.833  -3.216  -4.549
   78   1HB   ASN   7          2HB       ASN   7   4.600  -5.262  -5.910
   79   2HB   ASN   7          1HB       ASN   7   3.197  -4.613  -6.734
   80   1HD2  ASN   7          1HD2      ASN   7   3.309  -2.575  -7.566
   81   2HD2  ASN   7          2HD2      ASN   7   4.749  -1.629  -7.627
   82    QB   ASN   7           QB       ASN   7   3.898  -4.938  -6.322
   83    QD   ASN   7           QD2      ASN   7   4.029  -2.102  -7.596
   84    H    ASP   8           H        ASP   8   3.449  -6.613  -4.094
   85    HA   ASP   8           HA       ASP   8   1.102  -7.844  -4.929
   86   1HB   ASP   8          2HB       ASP   8   3.176  -9.001  -4.256
   87   2HB   ASP   8          1HB       ASP   8   2.870  -8.546  -2.594
   88    QB   ASP   8           QB       ASP   8   3.023  -8.773  -3.425
   89    H    ARG   9           H        ARG   9   1.890  -6.398  -1.803
   90    HA   ARG   9           HA       ARG   9  -0.498  -7.112  -0.449
   91   1HB   ARG   9          2HB       ARG   9   1.378  -4.789   0.084
   92   2HB   ARG   9          1HB       ARG   9   0.106  -5.315   1.167
   93   1HG   ARG   9          2HG       ARG   9   1.236  -7.456   1.475
   94   2HG   ARG   9          1HG       ARG   9   2.488  -6.955   0.340
   95   1HD   ARG   9          2HD       ARG   9   3.243  -6.675   2.635
   96   2HD   ARG   9          1HD       ARG   9   3.104  -5.112   1.836
   97    HE   ARG   9           HE       ARG   9   0.725  -5.784   3.208
   98   1HH1  ARG   9          1HH1      ARG   9   4.017  -4.628   3.870
   99   2HH1  ARG   9          2HH1      ARG   9   3.596  -3.813   5.294
  100   1HH2  ARG   9          1HH2      ARG   9   0.156  -4.708   5.153
  101   2HH2  ARG   9          2HH2      ARG   9   1.328  -3.850   6.062
  102    QB   ARG   9           QB       ARG   9   0.742  -5.052   0.625
  103    QG   ARG   9           QG       ARG   9   1.862  -7.205   0.907
  104    QD   ARG   9           QD       ARG   9   3.173  -5.894   2.236
  105    QH1  ARG   9           QH1      ARG   9   3.806  -4.220   4.582
  106    QH2  ARG   9           QH2      ARG   9   0.742  -4.279   5.608
  107    H    ILE  10           H        ILE  10   0.477  -4.295  -2.281
  108    HA   ILE  10           HA       ILE  10  -1.777  -2.668  -1.873
  109    HB   ILE  10           HB       ILE  10  -0.049  -2.847  -4.370
  110   1HG1  ILE  10          2HG1      ILE  10   0.202  -1.052  -1.971
  111   2HG1  ILE  10          1HG1      ILE  10   1.249  -2.431  -2.300
  112   1HG2  ILE  10          3HG2      ILE  10  -2.146  -1.624  -4.754
  113   2HG2  ILE  10          2HG2      ILE  10  -1.793  -0.584  -3.373
  114   3HG2  ILE  10          1HG2      ILE  10  -0.755  -0.535  -4.797
  115   1HD1  ILE  10          2HD1      ILE  10   2.007  -1.302  -4.357
  116   2HD1  ILE  10          1HD1      ILE  10   1.001   0.079  -3.938
  117   3HD1  ILE  10          3HD1      ILE  10   2.352  -0.371  -2.897
  118    MG   ILE  10           QG2      ILE  10  -1.565  -0.915  -4.308
  119    MD   ILE  10           QD1      ILE  10   1.787  -0.531  -3.731
  120    QG   ILE  10           QG1      ILE  10   0.726  -1.741  -2.135
  121    H    GLU  11           H        GLU  11  -1.051  -5.158  -4.204
  122    HA   GLU  11           HA       GLU  11  -3.214  -4.878  -5.925
  123   1HB   GLU  11          2HB       GLU  11  -1.108  -6.229  -6.249
  124   2HB   GLU  11          1HB       GLU  11  -1.844  -7.467  -5.247
  125   1HG   GLU  11          2HG       GLU  11  -2.089  -7.955  -7.622
  126   2HG   GLU  11          1HG       GLU  11  -3.654  -7.707  -6.844
  127    QB   GLU  11           QB       GLU  11  -1.476  -6.848  -5.748
  128    QG   GLU  11           QG       GLU  11  -2.871  -7.831  -7.233
  129    H    ALA  12           H        ALA  12  -2.868  -6.833  -3.007
  130    HA   ALA  12           HA       ALA  12  -5.455  -8.032  -3.226
  131   1HB   ALA  12          3HB       ALA  12  -3.610  -9.095  -1.992
  132   2HB   ALA  12          1HB       ALA  12  -5.041  -8.883  -0.981
  133   3HB   ALA  12          2HB       ALA  12  -3.666  -7.792  -0.805
  134    MB   ALA  12           QB       ALA  12  -4.106  -8.590  -1.259
  135    H    LYS  13           H        LYS  13  -4.246  -5.088  -1.927
  136    HA   LYS  13           HA       LYS  13  -6.573  -4.688  -0.294
  137   1HB   LYS  13          2HB       LYS  13  -4.319  -2.797  -0.974
  138   2HB   LYS  13          1HB       LYS  13  -5.678  -2.344   0.038
  139   1HG   LYS  13          2HG       LYS  13  -3.668  -4.521   0.609
  140   2HG   LYS  13          1HG       LYS  13  -3.754  -2.946   1.394
  141   1HD   LYS  13          2HD       LYS  13  -5.931  -5.057   1.513
  142   2HD   LYS  13          1HD       LYS  13  -4.725  -4.787   2.749
  143   1HE   LYS  13          2HE       LYS  13  -6.673  -2.671   1.835
  144   2HE   LYS  13          1HE       LYS  13  -6.959  -3.734   3.199
  145   1HZ   LYS  13          1HZ       LYS  13  -4.692  -1.813   2.979
  146   2HZ   LYS  13          3HZ       LYS  13  -6.101  -1.604   3.869
  147   3HZ   LYS  13          2HZ       LYS  13  -5.007  -2.811   4.299
  148    QB   LYS  13           QB       LYS  13  -4.998  -2.571  -0.468
  149    QD   LYS  13           QD       LYS  13  -5.328  -4.922   2.131
  150    QG   LYS  13           QG       LYS  13  -3.711  -3.734   1.002
  151    QE   LYS  13           QE       LYS  13  -6.816  -3.203   2.517
  152    QZ   LYS  13           QZ       LYS  13  -5.267  -2.076   3.716
  153    H    LYS  14           H        LYS  14  -5.548  -3.828  -3.462
  154    HA   LYS  14           HA       LYS  14  -7.534  -1.986  -4.185
  155   1HB   LYS  14          2HB       LYS  14  -6.425  -4.244  -5.847
  156   2HB   LYS  14          1HB       LYS  14  -7.274  -2.845  -6.461
  157   1HG   LYS  14          2HG       LYS  14  -5.445  -1.415  -5.894
  158   2HG   LYS  14          1HG       LYS  14  -4.627  -2.732  -5.039
  159   1HD   LYS  14          2HD       LYS  14  -4.544  -4.018  -7.068
  160   2HD   LYS  14          1HD       LYS  14  -5.331  -2.724  -7.967
  161   1HE   LYS  14          2HE       LYS  14  -3.393  -1.266  -7.462
  162   2HE   LYS  14          1HE       LYS  14  -2.631  -2.613  -6.615
  163   1HZ   LYS  14          3HZ       LYS  14  -3.376  -2.590  -9.486
  164   2HZ   LYS  14          2HZ       LYS  14  -1.807  -2.412  -8.891
  165   3HZ   LYS  14          1HZ       LYS  14  -2.624  -3.872  -8.689
  166    QB   LYS  14           QB       LYS  14  -6.850  -3.545  -6.154
  167    QD   LYS  14           QD       LYS  14  -4.938  -3.371  -7.518
  168    QG   LYS  14           QG       LYS  14  -5.036  -2.074  -5.466
  169    QE   LYS  14           QE       LYS  14  -3.012  -1.940  -7.038
  170    QZ   LYS  14           QZ       LYS  14  -2.602  -2.958  -9.022
  171    H    LYS  15           H        LYS  15  -7.449  -5.527  -4.463
  172    HA   LYS  15           HA       LYS  15 -10.086  -5.703  -5.433
  173   1HB   LYS  15          2HB       LYS  15  -9.867  -8.139  -5.289
  174   2HB   LYS  15          1HB       LYS  15  -8.449  -7.398  -6.001
  175   1HG   LYS  15          2HG       LYS  15  -7.673  -9.117  -4.681
  176   2HG   LYS  15          1HG       LYS  15  -7.332  -7.629  -3.799
  177   1HD   LYS  15          2HD       LYS  15  -8.113  -9.249  -2.239
  178   2HD   LYS  15          1HD       LYS  15  -9.355  -8.033  -2.432
  179   1HE   LYS  15          2HE       LYS  15 -10.380 -10.228  -2.370
  180   2HE   LYS  15          1HE       LYS  15 -10.589  -9.518  -3.964
  181   1HZ   LYS  15          1HZ       LYS  15  -8.555 -11.566  -3.235
  182   2HZ   LYS  15          3HZ       LYS  15  -9.970 -11.850  -4.080
  183   3HZ   LYS  15          2HZ       LYS  15  -8.749 -10.931  -4.767
  184    QB   LYS  15           QB       LYS  15  -9.158  -7.768  -5.645
  185    QD   LYS  15           QD       LYS  15  -8.734  -8.641  -2.335
  186    QG   LYS  15           QG       LYS  15  -7.503  -8.373  -4.240
  187    QE   LYS  15           QE       LYS  15 -10.484  -9.873  -3.167
  188    QZ   LYS  15           QZ       LYS  15  -9.091 -11.449  -4.028
  189    H    GLU  16           H        GLU  16  -8.817  -5.819  -2.237
  190    HA   GLU  16           HA       GLU  16 -11.178  -6.739  -0.991
  191   1HB   GLU  16          2HB       GLU  16  -8.922  -6.808   0.051
  192   2HB   GLU  16          1HB       GLU  16  -8.931  -5.057   0.137
  193   1HG   GLU  16          2HG       GLU  16 -10.784  -5.109   1.683
  194   2HG   GLU  16          1HG       GLU  16 -10.875  -6.865   1.550
  195    QB   GLU  16           QB       GLU  16  -8.927  -5.933   0.094
  196    QG   GLU  16           QG       GLU  16 -10.829  -5.987   1.617
  197    H    LEU  17           H        LEU  17  -9.833  -3.540  -1.675
  198    HA   LEU  17           HA       LEU  17 -11.796  -1.984  -0.457
  199   1HB   LEU  17          2HB       LEU  17  -9.575  -1.172  -1.256
  200   2HB   LEU  17          1HB       LEU  17 -10.109  -1.376  -2.901
  201    HG   LEU  17           HG       LEU  17 -10.007   0.996  -2.044
  202   1HD1  LEU  17          1HD1      LEU  17 -12.689   0.089  -3.034
  203   2HD1  LEU  17          3HD1      LEU  17 -12.092   1.746  -3.055
  204   3HD1  LEU  17          2HD1      LEU  17 -11.295   0.508  -4.031
  205   1HD2  LEU  17          3HD2      LEU  17 -10.855   0.594   0.175
  206   2HD2  LEU  17          2HD2      LEU  17 -11.820   1.818  -0.651
  207   3HD2  LEU  17          1HD2      LEU  17 -12.437   0.170  -0.475
  208    MD1  LEU  17           QD1      LEU  17 -12.025   0.781  -3.373
  209    MD2  LEU  17           QD2      LEU  17 -11.704   0.861  -0.317
  210    QB   LEU  17           QB       LEU  17  -9.842  -1.274  -2.079
  211    QD   LEU  17           QQD      LEU  17 -11.864   0.821  -1.845
  212    H    ILE  18           H        ILE  18 -11.534  -3.163  -3.785
  213    HA   ILE  18           HA       ILE  18 -13.867  -2.069  -4.844
  214    HB   ILE  18           HB       ILE  18 -12.612  -4.755  -5.519
  215   1HG1  ILE  18          2HG1      ILE  18 -12.262  -2.066  -6.867
  216   2HG1  ILE  18          1HG1      ILE  18 -11.121  -2.769  -5.730
  217   1HG2  ILE  18          2HG2      ILE  18 -14.907  -4.625  -6.370
  218   2HG2  ILE  18          1HG2      ILE  18 -14.547  -3.078  -7.136
  219   3HG2  ILE  18          3HG2      ILE  18 -13.745  -4.546  -7.695
  220   1HD1  ILE  18          1HD1      ILE  18 -11.907  -3.932  -8.386
  221   2HD1  ILE  18          3HD1      ILE  18 -10.403  -3.079  -8.031
  222   3HD1  ILE  18          2HD1      ILE  18 -10.742  -4.625  -7.257
  223    MG   ILE  18           QG2      ILE  18 -14.400  -4.083  -7.067
  224    MD   ILE  18           QD1      ILE  18 -11.017  -3.879  -7.891
  225    QG   ILE  18           QG1      ILE  18 -11.691  -2.417  -6.299
  226    H    TYR  19           H        TYR  19 -13.397  -5.199  -3.277
  227    HA   TYR  19           HA       TYR  19 -16.012  -6.177  -3.404
  228   1HB   TYR  19          2HB       TYR  19 -14.059  -7.558  -2.878
  229   2HB   TYR  19          1HB       TYR  19 -13.834  -6.691  -1.371
  230    HD1  TYR  19          1HD       TYR  19 -16.290  -8.847  -3.162
  231    HD2  TYR  19          2HD       TYR  19 -14.787  -7.526   0.595
  232    HE1  TYR  19          1HE       TYR  19 -17.666 -10.533  -2.017
  233    HE2  TYR  19          2HE       TYR  19 -16.169  -9.206   1.742
  234    HH   TYR  19           HH       TYR  19 -18.129 -10.543   1.379
  235    QB   TYR  19           QB       TYR  19 -13.946  -7.124  -2.124
  236    QD   TYR  19           QD       TYR  19 -15.539  -8.187  -1.284
  237    QE   TYR  19           QE       TYR  19 -16.918  -9.869  -0.137
  238    QR   TYR  19           QR       TYR  19 -16.228  -9.028  -0.711
  239    H    LEU  20           H        LEU  20 -14.412  -4.182  -0.980
  240    HA   LEU  20           HA       LEU  20 -16.608  -4.172   0.811
  241   1HB   LEU  20          2HB       LEU  20 -14.246  -2.310   0.618
  242   2HB   LEU  20          1HB       LEU  20 -15.385  -2.339   1.948
  243    HG   LEU  20           HG       LEU  20 -13.600  -4.643   1.156
  244   1HD1  LEU  20          2HD1      LEU  20 -13.367  -2.726   3.451
  245   2HD1  LEU  20          1HD1      LEU  20 -12.376  -4.161   3.196
  246   3HD1  LEU  20          3HD1      LEU  20 -12.298  -2.824   2.052
  247   1HD2  LEU  20          2HD2      LEU  20 -15.424  -4.280   3.528
  248   2HD2  LEU  20          1HD2      LEU  20 -15.653  -5.416   2.200
  249   3HD2  LEU  20          3HD2      LEU  20 -14.292  -5.614   3.305
  250    MD1  LEU  20           QD1      LEU  20 -12.680  -3.237   2.900
  251    MD2  LEU  20           QD2      LEU  20 -15.123  -5.104   3.011
  252    QB   LEU  20           QB       LEU  20 -14.815  -2.324   1.283
  253    QD   LEU  20           QQD      LEU  20 -13.902  -4.170   2.955
  254    H    VAL  21           H        VAL  21 -15.654  -2.073  -1.826
  255    HA   VAL  21           HA       VAL  21 -17.650  -0.119  -1.309
  256    HB   VAL  21           HB       VAL  21 -16.348  -0.801  -3.975
  257   1HG1  VAL  21          2HG1      VAL  21 -18.458   0.424  -4.270
  258   2HG1  VAL  21          1HG1      VAL  21 -17.903   1.658  -3.149
  259   3HG1  VAL  21          3HG1      VAL  21 -17.083   1.442  -4.696
  260   1HG2  VAL  21          3HG2      VAL  21 -14.749  -0.088  -2.289
  261   2HG2  VAL  21          2HG2      VAL  21 -14.930   1.142  -3.542
  262   3HG2  VAL  21          1HG2      VAL  21 -15.709   1.356  -1.974
  263    MG1  VAL  21           QG1      VAL  21 -17.815   1.175  -4.038
  264    MG2  VAL  21           QG2      VAL  21 -15.129   0.803  -2.602
  265    QG   VAL  21           QQG      VAL  21 -16.472   0.989  -3.320
  266    H    GLU  22           H        GLU  22 -17.659  -3.149  -3.035
  267    HA   GLU  22           HA       GLU  22 -20.181  -2.969  -4.277
  268   1HB   GLU  22          2HB       GLU  22 -18.820  -5.409  -3.114
  269   2HB   GLU  22          1HB       GLU  22 -20.182  -5.444  -4.215
  270   1HG   GLU  22          2HG       GLU  22 -17.471  -4.320  -4.870
  271   2HG   GLU  22          1HG       GLU  22 -18.012  -5.945  -5.274
  272    QB   GLU  22           QB       GLU  22 -19.501  -5.427  -3.664
  273    QG   GLU  22           QG       GLU  22 -17.741  -5.133  -5.072
  274    H    LYS  23           H        LYS  23 -19.231  -4.200  -1.108
  275    HA   LYS  23           HA       LYS  23 -21.954  -4.800  -0.385
  276   1HB   LYS  23          2HB       LYS  23 -19.417  -5.046   1.209
  277   2HB   LYS  23          1HB       LYS  23 -20.990  -5.611   1.735
  278   1HG   LYS  23          2HG       LYS  23 -19.442  -6.608  -0.651
  279   2HG   LYS  23          1HG       LYS  23 -19.664  -7.457   0.876
  280   1HD   LYS  23          2HD       LYS  23 -22.117  -7.476   0.451
  281   2HD   LYS  23          1HD       LYS  23 -21.818  -6.722  -1.115
  282   1HE   LYS  23          2HE       LYS  23 -22.099  -9.062  -1.461
  283   2HE   LYS  23          1HE       LYS  23 -20.397  -8.673  -1.709
  284   1HZ   LYS  23          3HZ       LYS  23 -19.995  -9.492   0.612
  285   2HZ   LYS  23          2HZ       LYS  23 -21.614  -9.919   0.683
  286   3HZ   LYS  23          1HZ       LYS  23 -20.620 -10.686  -0.415
  287    QB   LYS  23           QB       LYS  23 -20.204  -5.328   1.472
  288    QD   LYS  23           QD       LYS  23 -21.968  -7.099  -0.332
  289    QG   LYS  23           QG       LYS  23 -19.553  -7.032   0.113
  290    QE   LYS  23           QE       LYS  23 -21.248  -8.867  -1.585
  291    QZ   LYS  23           QZ       LYS  23 -20.743 -10.032   0.294
  292    H    TYR  24           H        TYR  24 -19.615  -2.359   0.631
  293    HA   TYR  24           HA       TYR  24 -21.608  -1.336   2.506
  294   1HB   TYR  24          2HB       TYR  24 -18.673  -0.742   2.201
  295   2HB   TYR  24          1HB       TYR  24 -19.717   0.066   3.362
  296    HD1  TYR  24          1HD       TYR  24 -20.689  -1.222   5.234
  297    HD2  TYR  24          2HD       TYR  24 -17.862  -2.960   2.580
  298    HE1  TYR  24          1HE       TYR  24 -20.296  -3.020   6.847
  299    HE2  TYR  24          2HE       TYR  24 -17.462  -4.777   4.192
  300    HH   TYR  24           HH       TYR  24 -19.488  -5.345   6.810
  301    QB   TYR  24           QB       TYR  24 -19.195  -0.338   2.782
  302    QD   TYR  24           QD       TYR  24 -19.275  -2.091   3.907
  303    QE   TYR  24           QE       TYR  24 -18.879  -3.899   5.519
  304    QR   TYR  24           QR       TYR  24 -19.077  -2.995   4.713
  305    H    GLY  25           H        GLY  25 -19.695  -0.319  -0.234
  306   1HA   GLY  25          1HA       GLY  25 -21.573   1.895  -0.628
  307   2HA   GLY  25          2HA       GLY  25 -20.470   1.248  -1.840
  308    QA   GLY  25           QA       GLY  25 -21.021   1.571  -1.234
  309    H    PHE  26           H        PHE  26 -19.330   3.053  -2.394
  310    HA   PHE  26           HA       PHE  26 -17.479   3.989  -0.390
  311   1HB   PHE  26          2HB       PHE  26 -16.799   3.429  -2.787
  312   2HB   PHE  26          1HB       PHE  26 -17.672   4.871  -3.282
  313    HD1  PHE  26          1HD       PHE  26 -16.875   7.120  -2.402
  314    HD2  PHE  26          2HD       PHE  26 -14.637   3.540  -1.958
  315    HE1  PHE  26          1HE       PHE  26 -14.850   8.447  -1.978
  316    HE2  PHE  26          2HE       PHE  26 -12.612   4.855  -1.527
  317    HZ   PHE  26           HZ       PHE  26 -12.712   7.307  -1.534
  318    QB   PHE  26           QB       PHE  26 -17.236   4.150  -3.035
  319    QD   PHE  26           QD       PHE  26 -15.756   5.330  -2.180
  320    QE   PHE  26           QE       PHE  26 -13.731   6.651  -1.752
  321    QR   PHE  26           QR       PHE  26 -14.337   6.254  -1.880
  322    H    THR  27           H        THR  27 -18.722   5.160   0.936
  323    HA   THR  27           HA       THR  27 -19.188   7.831   0.106
  324    HB   THR  27           HB       THR  27 -21.319   6.979  -0.662
  325    HG1  THR  27          1HG       THR  27 -21.151   8.969   0.748
  326   1HG2  THR  27          2HG2      THR  27 -21.468   4.923   0.670
  327   2HG2  THR  27          1HG2      THR  27 -21.742   5.879   2.128
  328   3HG2  THR  27          3HG2      THR  27 -22.944   5.875   0.834
  329    MG   THR  27           QG2      THR  27 -22.052   5.559   1.211
  330    H    HIS  28           H        HIS  28 -19.568   5.413   2.667
  331    HA   HIS  28           HA       HIS  28 -19.327   7.537   4.574
  332   1HB   HIS  28          2HB       HIS  28 -19.605   5.746   6.312
  333   2HB   HIS  28          1HB       HIS  28 -20.937   5.890   5.190
  334    HD1  HIS  28          1HD       HIS  28 -21.833   3.661   4.538
  335    HD2  HIS  28          2HD       HIS  28 -17.749   3.549   5.269
  336    HE1  HIS  28          1HE       HIS  28 -21.155   1.264   4.305
  337    QB   HIS  28           QB       HIS  28 -20.271   5.818   5.751
  338    H    HIS  29           H        HIS  29 -17.819   7.296   6.415
  339    HA   HIS  29           HA       HIS  29 -15.280   7.805   5.402
  340   1HB   HIS  29          2HB       HIS  29 -16.075   7.261   8.258
  341   2HB   HIS  29          1HB       HIS  29 -14.545   7.955   7.749
  342    HD1  HIS  29          1HD       HIS  29 -17.971   8.917   8.674
  343    HD2  HIS  29          2HD       HIS  29 -14.833  10.531   6.467
  344    HE1  HIS  29          1HE       HIS  29 -18.484  11.348   8.407
  345    QB   HIS  29           QB       HIS  29 -15.310   7.608   8.004
  346    H    LYS  30           H        LYS  30 -16.508   4.932   6.978
  347    HA   LYS  30           HA       LYS  30 -14.201   3.536   7.517
  348   1HB   LYS  30          2HB       LYS  30 -16.284   2.658   8.228
  349   2HB   LYS  30          1HB       LYS  30 -16.924   2.576   6.607
  350   1HG   LYS  30          2HG       LYS  30 -15.302   0.824   6.098
  351   2HG   LYS  30          1HG       LYS  30 -14.783   0.826   7.791
  352   1HD   LYS  30          2HD       LYS  30 -17.087   0.280   8.466
  353   2HD   LYS  30          1HD       LYS  30 -17.581   0.288   6.771
  354   1HE   LYS  30          2HE       LYS  30 -17.276  -1.985   7.441
  355   2HE   LYS  30          1HE       LYS  30 -15.958  -1.556   6.357
  356   1HZ   LYS  30          1HZ       LYS  30 -14.542  -1.230   8.365
  357   2HZ   LYS  30          3HZ       LYS  30 -15.824  -1.738   9.317
  358   3HZ   LYS  30          2HZ       LYS  30 -15.136  -2.802   8.249
  359    QB   LYS  30           QB       LYS  30 -16.604   2.617   7.418
  360    QD   LYS  30           QD       LYS  30 -17.334   0.284   7.618
  361    QG   LYS  30           QG       LYS  30 -15.043   0.825   6.945
  362    QE   LYS  30           QE       LYS  30 -16.617  -1.771   6.899
  363    QZ   LYS  30           QZ       LYS  30 -15.167  -1.923   8.644
  364    H    VAL  31           H        VAL  31 -15.957   3.568   4.426
  365    HA   VAL  31           HA       VAL  31 -14.100   1.821   3.170
  366    HB   VAL  31           HB       VAL  31 -16.291   3.522   1.935
  367   1HG1  VAL  31          3HG1      VAL  31 -14.595   2.936   0.268
  368   2HG1  VAL  31          2HG1      VAL  31 -14.725   1.236   0.726
  369   3HG1  VAL  31          1HG1      VAL  31 -16.098   2.058  -0.012
  370   1HG2  VAL  31          3HG2      VAL  31 -17.116   1.851   3.501
  371   2HG2  VAL  31          2HG2      VAL  31 -17.546   1.425   1.843
  372   3HG2  VAL  31          1HG2      VAL  31 -16.217   0.595   2.654
  373    MG1  VAL  31           QG1      VAL  31 -15.139   2.077   0.328
  374    MG2  VAL  31           QG2      VAL  31 -16.960   1.290   2.666
  375    QG   VAL  31           QQG      VAL  31 -16.050   1.684   1.497
  376    H    ILE  32           H        ILE  32 -14.589   5.297   3.220
  377    HA   ILE  32           HA       ILE  32 -12.747   5.935   1.168
  378    HB   ILE  32           HB       ILE  32 -13.540   7.665   3.543
  379   1HG1  ILE  32          2HG1      ILE  32 -14.761   7.519   0.773
  380   2HG1  ILE  32          1HG1      ILE  32 -15.483   6.843   2.224
  381   1HG2  ILE  32          3HG2      ILE  32 -11.547   8.487   2.363
  382   2HG2  ILE  32          2HG2      ILE  32 -12.415   8.410   0.832
  383   3HG2  ILE  32          1HG2      ILE  32 -12.925   9.551   2.075
  384   1HD1  ILE  32          3HD1      ILE  32 -14.938   9.762   1.722
  385   2HD1  ILE  32          2HD1      ILE  32 -16.507   8.961   1.628
  386   3HD1  ILE  32          1HD1      ILE  32 -15.669   9.086   3.175
  387    MG   ILE  32           QG2      ILE  32 -12.295   8.816   1.757
  388    MD   ILE  32           QD1      ILE  32 -15.705   9.270   2.175
  389    QG   ILE  32           QG1      ILE  32 -15.122   7.181   1.498
  390    H    SER  33           H        SER  33 -12.386   5.462   4.643
  391    HA   SER  33           HA       SER  33  -9.712   6.236   4.828
  392   1HB   SER  33          2HB       SER  33 -11.283   4.295   6.519
  393   2HB   SER  33          1HB       SER  33  -9.718   4.995   6.968
  394    HG   SER  33           HG       SER  33 -11.852   5.982   7.673
  395    QB   SER  33           QB       SER  33 -10.501   4.645   6.743
  396    H    PHE  34           H        PHE  34 -11.168   3.237   3.687
  397    HA   PHE  34           HA       PHE  34  -8.771   1.694   3.870
  398   1HB   PHE  34          2HB       PHE  34 -11.134   1.318   2.025
  399   2HB   PHE  34          1HB       PHE  34  -9.846   0.141   2.255
  400    HD1  PHE  34          1HD       PHE  34 -13.010   0.265   2.690
  401    HD2  PHE  34          2HD       PHE  34  -9.603   0.204   5.217
  402    HE1  PHE  34          1HE       PHE  34 -14.370  -0.732   4.487
  403    HE2  PHE  34          2HE       PHE  34 -10.946  -0.804   7.012
  404    HZ   PHE  34           HZ       PHE  34 -13.332  -1.266   6.651
  405    QB   PHE  34           QB       PHE  34 -10.490   0.729   2.140
  406    QD   PHE  34           QD       PHE  34 -11.306   0.234   3.954
  407    QE   PHE  34           QE       PHE  34 -12.658  -0.768   5.750
  408    QR   PHE  34           QR       PHE  34 -12.252  -0.467   5.212
  409    H    SER  35           H        SER  35 -10.219   3.737   1.377
  410    HA   SER  35           HA       SER  35  -8.370   3.207  -0.652
  411   1HB   SER  35          2HB       SER  35  -9.923   5.739  -0.107
  412   2HB   SER  35          1HB       SER  35  -9.200   5.270  -1.651
  413    HG   SER  35           HG       SER  35 -10.526   3.411  -1.591
  414    QB   SER  35           QB       SER  35  -9.562   5.505  -0.879
  415    H    GLN  36           H        GLN  36  -8.284   5.352   2.094
  416    HA   GLN  36           HA       GLN  36  -5.994   6.840   1.384
  417   1HB   GLN  36          2HB       GLN  36  -7.026   6.111   4.117
  418   2HB   GLN  36          1HB       GLN  36  -5.770   7.300   3.809
  419   1HG   GLN  36          2HG       GLN  36  -7.393   8.654   2.562
  420   2HG   GLN  36          1HG       GLN  36  -8.641   7.457   2.922
  421   1HE2  GLN  36          1HE2      GLN  36  -9.880   8.917   4.081
  422   2HE2  GLN  36          2HE2      GLN  36  -9.426   9.480   5.638
  423    QB   GLN  36           QB       GLN  36  -6.398   6.706   3.963
  424    QG   GLN  36           QG       GLN  36  -8.017   8.055   2.742
  425    QE   GLN  36           QE2      GLN  36  -9.653   9.199   4.859
  426    H    GLU  37           H        GLU  37  -6.423   3.664   2.819
  427    HA   GLU  37           HA       GLU  37  -3.757   3.266   3.674
  428   1HB   GLU  37          2HB       GLU  37  -5.667   1.161   2.641
  429   2HB   GLU  37          1HB       GLU  37  -4.266   0.894   3.661
  430   1HG   GLU  37          2HG       GLU  37  -5.372   2.111   5.477
  431   2HG   GLU  37          1HG       GLU  37  -6.781   2.357   4.439
  432    QB   GLU  37           QB       GLU  37  -4.967   1.027   3.151
  433    QG   GLU  37           QG       GLU  37  -6.076   2.234   4.958
  434    H    LEU  38           H        LEU  38  -5.481   2.556   0.671
  435    HA   LEU  38           HA       LEU  38  -3.343   1.428  -0.775
  436   1HB   LEU  38          2HB       LEU  38  -5.866   2.801  -1.625
  437   2HB   LEU  38          1HB       LEU  38  -4.656   2.423  -2.824
  438    HG   LEU  38           HG       LEU  38  -6.361   0.746  -2.856
  439   1HD1  LEU  38          2HD1      LEU  38  -4.091   0.051  -3.298
  440   2HD1  LEU  38          1HD1      LEU  38  -3.858  -0.346  -1.603
  441   3HD1  LEU  38          3HD1      LEU  38  -5.033  -1.251  -2.563
  442   1HD2  LEU  38          1HD2      LEU  38  -7.220   0.974  -0.580
  443   2HD2  LEU  38          3HD2      LEU  38  -6.830  -0.708  -0.944
  444   3HD2  LEU  38          2HD2      LEU  38  -5.742   0.257   0.059
  445    MD1  LEU  38           QD1      LEU  38  -4.327  -0.515  -2.488
  446    MD2  LEU  38           QD2      LEU  38  -6.597   0.174  -0.488
  447    QB   LEU  38           QB       LEU  38  -5.261   2.612  -2.225
  448    QD   LEU  38           QQD      LEU  38  -5.462  -0.171  -1.488
  449    H    ASP  39           H        ASP  39  -4.407   4.718  -0.431
  450    HA   ASP  39           HA       ASP  39  -2.675   6.039  -2.164
  451   1HB   ASP  39          2HB       ASP  39  -4.496   7.183  -1.020
  452   2HB   ASP  39          1HB       ASP  39  -3.726   6.911   0.533
  453    QB   ASP  39           QB       ASP  39  -4.111   7.047  -0.243
  454    H    ARG  40           H        ARG  40  -2.201   5.068   1.195
  455    HA   ARG  40           HA       ARG  40   0.405   6.199   1.341
  456   1HB   ARG  40          2HB       ARG  40  -0.774   4.130   3.204
  457   2HB   ARG  40          1HB       ARG  40   0.626   5.142   3.515
  458   1HG   ARG  40          2HG       ARG  40  -2.273   5.915   3.439
  459   2HG   ARG  40          1HG       ARG  40  -1.118   6.111   4.751
  460   1HD   ARG  40          2HD       ARG  40  -1.228   7.635   2.153
  461   2HD   ARG  40          1HD       ARG  40  -1.557   8.254   3.763
  462    HE   ARG  40           HE       ARG  40   0.864   7.699   4.191
  463   1HH1  ARG  40          1HH1      ARG  40  -0.409   8.780   1.019
  464   2HH1  ARG  40          2HH1      ARG  40   1.058   9.456   0.521
  465   1HH2  ARG  40          1HH2      ARG  40   2.903   8.666   3.471
  466   2HH2  ARG  40          2HH2      ARG  40   3.004   9.363   1.930
  467    QB   ARG  40           QB       ARG  40  -0.074   4.636   3.360
  468    QG   ARG  40           QG       ARG  40  -1.696   6.013   4.095
  469    QD   ARG  40           QD       ARG  40  -1.393   7.945   2.958
  470    QH1  ARG  40           QH1      ARG  40   0.325   9.118   0.770
  471    QH2  ARG  40           QH2      ARG  40   2.953   9.015   2.701
  472    H    LEU  41           H        LEU  41  -0.826   2.926   0.857
  473    HA   LEU  41           HA       LEU  41   1.655   1.617   0.900
  474   1HB   LEU  41          2HB       LEU  41  -0.810   0.828  -0.668
  475   2HB   LEU  41          1HB       LEU  41   0.580  -0.181  -0.318
  476    HG   LEU  41           HG       LEU  41  -1.309   0.897   1.765
  477   1HD1  LEU  41          2HD1      LEU  41  -1.069  -1.858   0.572
  478   2HD1  LEU  41          1HD1      LEU  41  -2.094  -1.409   1.934
  479   3HD1  LEU  41          3HD1      LEU  41  -2.403  -0.729   0.338
  480   1HD2  LEU  41          3HD2      LEU  41   0.960  -1.091   1.949
  481   2HD2  LEU  41          2HD2      LEU  41   0.936   0.532   2.641
  482   3HD2  LEU  41          1HD2      LEU  41  -0.166  -0.700   3.249
  483    MD1  LEU  41           QD1      LEU  41  -1.855  -1.332   0.948
  484    MD2  LEU  41           QD2      LEU  41   0.577  -0.420   2.613
  485    QB   LEU  41           QB       LEU  41  -0.115   0.323  -0.493
  486    QD   LEU  41           QQD      LEU  41  -0.639  -0.876   1.780
  487    H    LEU  42           H        LEU  42  -0.161   3.011  -1.800
  488    HA   LEU  42           HA       LEU  42   1.610   2.431  -3.882
  489   1HB   LEU  42          2HB       LEU  42  -0.579   3.395  -4.286
  490   2HB   LEU  42          1HB       LEU  42  -0.125   4.863  -3.446
  491    HG   LEU  42           HG       LEU  42   1.580   5.273  -5.229
  492   1HD1  LEU  42          2HD1      LEU  42   0.204   2.994  -6.627
  493   2HD1  LEU  42          1HD1      LEU  42   1.358   4.117  -7.358
  494   3HD1  LEU  42          3HD1      LEU  42   1.874   3.040  -6.060
  495   1HD2  LEU  42          2HD2      LEU  42  -1.295   5.090  -6.116
  496   2HD2  LEU  42          1HD2      LEU  42  -0.539   6.430  -5.243
  497   3HD2  LEU  42          3HD2      LEU  42  -0.035   6.059  -6.890
  498    MD1  LEU  42           QD1      LEU  42   1.145   3.384  -6.682
  499    MD2  LEU  42           QD2      LEU  42  -0.623   5.860  -6.083
  500    QB   LEU  42           QB       LEU  42  -0.352   4.129  -3.866
  501    QD   LEU  42           QQD      LEU  42   0.261   4.622  -6.382
  502    H    ASN  43           H        ASN  43   1.583   5.105  -1.580
  503    HA   ASN  43           HA       ASN  43   3.742   6.489  -2.771
  504   1HB   ASN  43          2HB       ASN  43   2.041   7.536  -1.234
  505   2HB   ASN  43          1HB       ASN  43   2.831   6.709   0.101
  506   1HD2  ASN  43          1HD2      ASN  43   4.418   8.179  -2.676
  507   2HD2  ASN  43          2HD2      ASN  43   5.267   9.389  -1.787
  508    QB   ASN  43           QB       ASN  43   2.436   7.122  -0.566
  509    QD   ASN  43           QD2      ASN  43   4.843   8.784  -2.231
  510    H    LEU  44           H        LEU  44   3.506   3.982  -0.334
  511    HA   LEU  44           HA       LEU  44   6.040   4.166   0.805
  512   1HB   LEU  44          2HB       LEU  44   4.365   1.700   0.388
  513   2HB   LEU  44          1HB       LEU  44   5.815   1.751   1.361
  514    HG   LEU  44           HG       LEU  44   3.242   3.220   1.922
  515   1HD1  LEU  44          1HD1      LEU  44   3.152   0.809   2.325
  516   2HD1  LEU  44          3HD1      LEU  44   4.584   0.930   3.347
  517   3HD1  LEU  44          2HD1      LEU  44   3.085   1.726   3.830
  518   1HD2  LEU  44          1HD2      LEU  44   5.827   3.151   3.494
  519   2HD2  LEU  44          3HD2      LEU  44   5.146   4.558   2.667
  520   3HD2  LEU  44          2HD2      LEU  44   4.310   3.852   4.047
  521    MD1  LEU  44           QD1      LEU  44   3.607   1.155   3.167
  522    MD2  LEU  44           QD2      LEU  44   5.095   3.854   3.403
  523    QB   LEU  44           QB       LEU  44   5.090   1.726   0.875
  524    QD   LEU  44           QQD      LEU  44   4.351   2.504   3.285
  525    H    LEU  45           H        LEU  45   5.079   2.672  -2.203
  526    HA   LEU  45           HA       LEU  45   7.415   1.203  -2.791
  527   1HB   LEU  45          2HB       LEU  45   5.667   2.740  -4.715
  528   2HB   LEU  45          1HB       LEU  45   6.793   1.476  -5.144
  529    HG   LEU  45           HG       LEU  45   4.286   1.095  -3.512
  530   1HD1  LEU  45          2HD1      LEU  45   4.925   0.401  -6.377
  531   2HD1  LEU  45          1HD1      LEU  45   3.454  -0.045  -5.513
  532   3HD1  LEU  45          3HD1      LEU  45   3.810   1.652  -5.828
  533   1HD2  LEU  45          1HD2      LEU  45   6.256  -0.904  -4.630
  534   2HD2  LEU  45          3HD2      LEU  45   6.034  -0.509  -2.926
  535   3HD2  LEU  45          2HD2      LEU  45   4.738  -1.298  -3.826
  536    MD1  LEU  45           QD1      LEU  45   4.063   0.669  -5.906
  537    MD2  LEU  45           QD2      LEU  45   5.676  -0.904  -3.794
  538    QB   LEU  45           QB       LEU  45   6.230   2.108  -4.929
  539    QD   LEU  45           QQD      LEU  45   4.870  -0.117  -4.850
  540    H    ILE  46           H        ILE  46   6.480   4.481  -3.496
  541    HA   ILE  46           HA       ILE  46   8.840   5.290  -4.858
  542    HB   ILE  46           HB       ILE  46   6.865   7.055  -3.390
  543   1HG1  ILE  46          2HG1      ILE  46   6.662   6.059  -6.245
  544   2HG1  ILE  46          1HG1      ILE  46   5.704   5.438  -4.912
  545   1HG2  ILE  46          2HG2      ILE  46   8.634   7.554  -5.788
  546   2HG2  ILE  46          1HG2      ILE  46   7.487   8.712  -5.112
  547   3HG2  ILE  46          3HG2      ILE  46   8.883   8.192  -4.164
  548   1HD1  ILE  46          1HD1      ILE  46   4.700   7.656  -4.625
  549   2HD1  ILE  46          3HD1      ILE  46   5.663   8.244  -5.980
  550   3HD1  ILE  46          2HD1      ILE  46   4.438   7.005  -6.241
  551    MG   ILE  46           QG2      ILE  46   8.335   8.153  -5.021
  552    MD   ILE  46           QD1      ILE  46   4.934   7.635  -5.615
  553    QG   ILE  46           QG1      ILE  46   6.183   5.749  -5.578
  554    H    GLU  47           H        GLU  47   7.556   5.721  -1.633
  555    HA   GLU  47           HA       GLU  47   9.480   7.348  -0.497
  556   1HB   GLU  47          2HB       GLU  47   7.159   6.682   0.330
  557   2HB   GLU  47          1HB       GLU  47   7.895   5.210   0.922
  558   1HG   GLU  47          2HG       GLU  47   8.693   7.973   1.830
  559   2HG   GLU  47          1HG       GLU  47   7.478   6.990   2.628
  560    QB   GLU  47           QB       GLU  47   7.527   5.946   0.626
  561    QG   GLU  47           QG       GLU  47   8.086   7.482   2.229
  562    H    LEU  48           H        LEU  48   9.282   3.793  -0.582
  563    HA   LEU  48           HA       LEU  48  11.338   3.068   1.114
  564   1HB   LEU  48          2HB       LEU  48   9.616   1.595   0.018
  565   2HB   LEU  48          1HB       LEU  48  10.544   1.672  -1.453
  566    HG   LEU  48           HG       LEU  48  10.759  -0.475  -0.224
  567   1HD1  LEU  48          3HD1      LEU  48  12.549   0.136  -1.725
  568   2HD1  LEU  48          2HD1      LEU  48  13.358   1.013  -0.427
  569   3HD1  LEU  48          1HD1      LEU  48  13.168  -0.735  -0.322
  570   1HD2  LEU  48          3HD2      LEU  48  10.586   0.357   2.035
  571   2HD2  LEU  48          2HD2      LEU  48  12.057  -0.590   1.826
  572   3HD2  LEU  48          1HD2      LEU  48  12.141   1.172   1.879
  573    MD1  LEU  48           QD1      LEU  48  13.025   0.138  -0.825
  574    MD2  LEU  48           QD2      LEU  48  11.595   0.313   1.913
  575    QB   LEU  48           QB       LEU  48  10.080   1.633  -0.717
  576    QD   LEU  48           QQD      LEU  48  12.310   0.226   0.544
  577    H    LYS  49           H        LYS  49  11.578   3.588  -2.384
  578    HA   LYS  49           HA       LYS  49  14.403   3.206  -2.360
  579   1HB   LYS  49          2HB       LYS  49  14.319   4.088  -4.689
  580   2HB   LYS  49          1HB       LYS  49  13.349   2.640  -4.403
  581   1HG   LYS  49          2HG       LYS  49  11.353   4.127  -4.226
  582   2HG   LYS  49          1HG       LYS  49  12.385   5.487  -4.652
  583   1HD   LYS  49          2HD       LYS  49  11.926   3.042  -6.360
  584   2HD   LYS  49          1HD       LYS  49  11.139   4.602  -6.582
  585   1HE   LYS  49          2HE       LYS  49  13.334   5.635  -6.944
  586   2HE   LYS  49          1HE       LYS  49  14.101   4.060  -6.742
  587   1HZ   LYS  49          3HZ       LYS  49  12.109   4.714  -8.804
  588   2HZ   LYS  49          2HZ       LYS  49  13.772   4.675  -9.080
  589   3HZ   LYS  49          1HZ       LYS  49  12.940   3.265  -8.655
  590    QB   LYS  49           QB       LYS  49  13.834   3.364  -4.546
  591    QD   LYS  49           QD       LYS  49  11.533   3.822  -6.471
  592    QG   LYS  49           QG       LYS  49  11.869   4.807  -4.439
  593    QE   LYS  49           QE       LYS  49  13.718   4.848  -6.843
  594    QZ   LYS  49           QZ       LYS  49  12.941   4.218  -8.847
  595    H    THR  50           H        THR  50  12.348   5.943  -2.017
  596    HA   THR  50           HA       THR  50  14.317   7.886  -2.590
  597    HB   THR  50           HB       THR  50  11.647   8.138  -1.160
  598    HG1  THR  50          1HG       THR  50  11.200   7.524  -3.157
  599   1HG2  THR  50          1HG2      THR  50  13.111  10.094  -0.720
  600   2HG2  THR  50          3HG2      THR  50  13.344  10.287  -2.458
  601   3HG2  THR  50          2HG2      THR  50  11.746  10.520  -1.748
  602    MG   THR  50           QG2      THR  50  12.734  10.300  -1.642
  603    H    LYS  51           H        LYS  51  13.633   5.964   0.174
  604    HA   LYS  51           HA       LYS  51  14.488   7.585   2.319
  605   1HB   LYS  51          2HB       LYS  51  14.966   4.612   2.142
  606   2HB   LYS  51          1HB       LYS  51  14.764   5.574   3.593
  607   1HG   LYS  51          2HG       LYS  51  12.421   6.002   2.919
  608   2HG   LYS  51          1HG       LYS  51  12.659   4.923   1.550
  609   1HD   LYS  51          2HD       LYS  51  11.671   3.540   3.135
  610   2HD   LYS  51          1HD       LYS  51  13.392   3.206   3.350
  611   1HE   LYS  51          2HE       LYS  51  12.429   3.486   5.510
  612   2HE   LYS  51          1HE       LYS  51  13.399   4.913   5.164
  613   1HZ   LYS  51          1HZ       LYS  51  11.356   6.048   4.483
  614   2HZ   LYS  51          3HZ       LYS  51  10.474   4.690   4.870
  615   3HZ   LYS  51          2HZ       LYS  51  11.263   5.544   6.097
  616    QB   LYS  51           QB       LYS  51  14.865   5.093   2.868
  617    QD   LYS  51           QD       LYS  51  12.531   3.373   3.242
  618    QG   LYS  51           QG       LYS  51  12.540   5.463   2.235
  619    QE   LYS  51           QE       LYS  51  12.914   4.199   5.337
  620    QZ   LYS  51           QZ       LYS  51  11.031   5.427   5.150
  621    H    LYS  52           H        LYS  52  16.173   6.012  -0.164
  622    HA   LYS  52           HA       LYS  52  18.259   5.601  -0.779
  623   1HB   LYS  52          2HB       LYS  52  19.877   7.414  -0.697
  624   2HB   LYS  52          1HB       LYS  52  18.274   8.045  -1.015
  625   1HG   LYS  52          2HG       LYS  52  18.113   8.959   1.150
  626   2HG   LYS  52          1HG       LYS  52  19.518   8.050   1.712
  627   1HD   LYS  52          2HD       LYS  52  20.132  10.371   1.308
  628   2HD   LYS  52          1HD       LYS  52  20.925   9.314   0.139
  629   1HE   LYS  52          2HE       LYS  52  19.236   9.879  -1.520
  630   2HE   LYS  52          1HE       LYS  52  18.443  10.949  -0.362
  631   1HZ   LYS  52          2HZ       LYS  52  20.557  12.197  -0.255
  632   2HZ   LYS  52          1HZ       LYS  52  21.157  11.228  -1.497
  633   3HZ   LYS  52          3HZ       LYS  52  19.827  12.234  -1.788
  634    QB   LYS  52           QB       LYS  52  19.075   7.730  -0.856
  635    QD   LYS  52           QD       LYS  52  20.528   9.842   0.724
  636    QG   LYS  52           QG       LYS  52  18.815   8.505   1.431
  637    QE   LYS  52           QE       LYS  52  18.840  10.414  -0.941
  638    QZ   LYS  52           QZ       LYS  52  20.514  11.887  -1.180
  639    H    LYS  53           H        LYS  53  17.550   4.743   2.022
  640    HA   LYS  53           HA       LYS  53  20.267   4.374   2.998
  641   1HB   LYS  53          2HB       LYS  53  19.275   3.503   5.054
  642   2HB   LYS  53          1HB       LYS  53  18.626   5.084   4.637
  643   1HG   LYS  53          2HG       LYS  53  16.557   4.162   3.960
  644   2HG   LYS  53          1HG       LYS  53  17.205   2.517   4.010
  645   1HD   LYS  53          2HD       LYS  53  17.554   2.746   6.430
  646   2HD   LYS  53          1HD       LYS  53  16.838   4.358   6.369
  647   1HE   LYS  53          2HE       LYS  53  14.729   3.451   5.690
  648   2HE   LYS  53          1HE       LYS  53  15.427   1.842   5.516
  649   1HZ   LYS  53          2HZ       LYS  53  15.283   3.315   8.092
  650   2HZ   LYS  53          1HZ       LYS  53  14.178   2.132   7.590
  651   3HZ   LYS  53          3HZ       LYS  53  15.790   1.728   7.827
  652    QB   LYS  53           QB       LYS  53  18.951   4.293   4.845
  653    QD   LYS  53           QD       LYS  53  17.196   3.552   6.400
  654    QG   LYS  53           QG       LYS  53  16.881   3.339   3.985
  655    QE   LYS  53           QE       LYS  53  15.078   2.647   5.603
  656    QZ   LYS  53           QZ       LYS  53  15.084   2.392   7.836
  657    H    ARG  54           H        ARG  54  18.480   3.064   0.809
  658    HA   ARG  54           HA       ARG  54  18.669   0.279   1.314
  659   1HB   ARG  54          2HB       ARG  54  18.297   1.900  -1.201
  660   2HB   ARG  54          1HB       ARG  54  18.486   0.160  -1.259
  661   1HG   ARG  54          2HG       ARG  54  16.298   1.668   0.167
  662   2HG   ARG  54          1HG       ARG  54  16.143   0.797  -1.360
  663   1HD   ARG  54          2HD       ARG  54  16.738  -0.369   1.360
  664   2HD   ARG  54          1HD       ARG  54  15.294  -0.615   0.383
  665    HE   ARG  54           HE       ARG  54  17.201  -1.530  -1.242
  666   1HH1  ARG  54          1HH1      ARG  54  16.591  -2.243   2.197
  667   2HH1  ARG  54          2HH1      ARG  54  17.240  -3.819   2.089
  668   1HH2  ARG  54          1HH2      ARG  54  18.113  -3.668  -1.309
  669   2HH2  ARG  54          2HH2      ARG  54  18.099  -4.652   0.081
  670    QB   ARG  54           QB       ARG  54  18.391   1.030  -1.230
  671    QG   ARG  54           QG       ARG  54  16.221   1.232  -0.596
  672    QD   ARG  54           QD       ARG  54  16.016  -0.492   0.871
  673    QH1  ARG  54           QH1      ARG  54  16.915  -3.031   2.143
  674    QH2  ARG  54           QH2      ARG  54  18.106  -4.160  -0.614
  675    H    TYR  55           H        TYR  55  20.182  -1.163   0.451
  676    HA   TYR  55           HA       TYR  55  22.771  -0.303   1.019
  677   1HB   TYR  55          2HB       TYR  55  21.824  -2.901  -0.174
  678   2HB   TYR  55          1HB       TYR  55  23.471  -2.612   0.398
  679    HD1  TYR  55          1HD       TYR  55  19.995  -3.134   1.397
  680    HD2  TYR  55          2HD       TYR  55  23.929  -2.284   2.771
  681    HE1  TYR  55          1HE       TYR  55  19.280  -3.581   3.701
  682    HE2  TYR  55          2HE       TYR  55  23.225  -2.740   5.074
  683    HH   TYR  55           HH       TYR  55  20.239  -4.192   5.823
  684    QB   TYR  55           QB       TYR  55  22.648  -2.757   0.112
  685    QD   TYR  55           QD       TYR  55  21.962  -2.709   2.084
  686    QE   TYR  55           QE       TYR  55  21.252  -3.161   4.387
  687    QR   TYR  55           QR       TYR  55  21.607  -2.935   3.235
  688    H    SER  56           H        SER  56  21.117  -0.393  -1.968
  689    HA   SER  56           HA       SER  56  23.301  -0.372  -3.720
  690   1HB   SER  56          2HB       SER  56  21.438   0.669  -5.189
  691   2HB   SER  56          1HB       SER  56  21.260  -0.994  -4.617
  692    HG   SER  56           HG       SER  56  19.613   1.020  -4.229
  693    QB   SER  56           QB       SER  56  21.349  -0.163  -4.903
  694    H    LEU  57           H        LEU  57  22.136   2.009  -1.565
  695    HA   LEU  57           HA       LEU  57  23.245   4.195  -3.149
  696   1HB   LEU  57          2HB       LEU  57  21.603   4.147  -0.628
  697   2HB   LEU  57          1HB       LEU  57  22.422   5.590  -1.172
  698    HG   LEU  57           HG       LEU  57  20.103   5.704  -1.729
  699   1HD1  LEU  57          3HD1      LEU  57  21.591   6.775  -3.222
  700   2HD1  LEU  57          2HD1      LEU  57  21.758   5.299  -4.183
  701   3HD1  LEU  57          1HD1      LEU  57  20.208   6.134  -4.103
  702   1HD2  LEU  57          3HD2      LEU  57  20.480   3.168  -3.317
  703   2HD2  LEU  57          2HD2      LEU  57  19.543   3.351  -1.835
  704   3HD2  LEU  57          1HD2      LEU  57  19.021   4.167  -3.310
  705    MD1  LEU  57           QD1      LEU  57  21.186   6.069  -3.836
  706    MD2  LEU  57           QD2      LEU  57  19.681   3.562  -2.820
  707    QB   LEU  57           QB       LEU  57  22.013   4.869  -0.900
  708    QD   LEU  57           QQD      LEU  57  20.433   4.816  -3.328
  709    H    LEU  58           H        LEU  58  24.257   1.980  -0.931
  710    HA   LEU  58           HA       LEU  58  26.282   3.779   0.163
  711   1HB   LEU  58          2HB       LEU  58  25.489   0.985   1.018
  712   2HB   LEU  58          1HB       LEU  58  26.858   1.854   1.665
  713    HG   LEU  58           HG       LEU  58  25.160   1.976   3.262
  714   1HD1  LEU  58          2HD1      LEU  58  26.347   4.032   2.995
  715   2HD1  LEU  58          1HD1      LEU  58  25.176   4.577   1.794
  716   3HD1  LEU  58          3HD1      LEU  58  24.676   4.350   3.469
  717   1HD2  LEU  58          1HD2      LEU  58  23.278   2.895   1.105
  718   2HD2  LEU  58          3HD2      LEU  58  23.227   1.367   1.983
  719   3HD2  LEU  58          2HD2      LEU  58  22.900   2.882   2.826
  720    MD1  LEU  58           QD1      LEU  58  25.400   4.320   2.753
  721    MD2  LEU  58           QD2      LEU  58  23.135   2.381   1.971
  722    QB   LEU  58           QB       LEU  58  26.173   1.420   1.341
  723    QD   LEU  58           QQD      LEU  58  24.268   3.351   2.362
  724    H    GLU  59           H        GLU  59  26.182   0.377  -0.741
  725    HA   GLU  59           HA       GLU  59  27.841  -0.982  -1.385
  726   1HB   GLU  59          2HB       GLU  59  27.589   0.808  -3.784
  727   2HB   GLU  59          1HB       GLU  59  28.129  -0.876  -3.803
  728   1HG   GLU  59          2HG       GLU  59  25.914  -1.447  -2.780
  729   2HG   GLU  59          1HG       GLU  59  25.408   0.195  -3.117
  730    QB   GLU  59           QB       GLU  59  27.859  -0.034  -3.793
  731    QG   GLU  59           QG       GLU  59  25.661  -0.626  -2.948
  732    H    HIS  60           H        HIS  60  29.280  -0.135   0.205
  733    HA   HIS  60           HA       HIS  60  31.454   1.500  -0.838
  734   1HB   HIS  60          2HB       HIS  60  30.820   0.610   1.973
  735   2HB   HIS  60          1HB       HIS  60  32.302   1.456   1.546
  736    HD1  HIS  60          1HD       HIS  60  29.071   2.196   2.856
  737    HD2  HIS  60          2HD       HIS  60  31.572   3.971   0.052
  738    HE1  HIS  60          1HE       HIS  60  28.343   4.599   2.678
  739    QB   HIS  60           QB       HIS  60  31.561   1.033   1.760
  740    H    HIS  61           H        HIS  61  30.767  -1.606  -0.852
  741    HA   HIS  61           HA       HIS  61  33.420  -2.587  -0.363
  742   1HB   HIS  61          2HB       HIS  61  32.505  -4.748  -1.417
  743   2HB   HIS  61          1HB       HIS  61  31.723  -4.234   0.059
  744    HD1  HIS  61          1HD       HIS  61  31.066  -4.682  -3.618
  745    HD2  HIS  61          2HD       HIS  61  29.069  -3.457  -0.192
  746    HE1  HIS  61          1HE       HIS  61  28.605  -4.616  -4.215
  747    QB   HIS  61           QB       HIS  61  32.114  -4.491  -0.679
  748    H    HIS  62           H        HIS  62  34.970  -2.025  -1.684
  749    HA   HIS  62           HA       HIS  62  34.217  -1.443  -4.445
  750   1HB   HIS  62          2HB       HIS  62  36.422  -0.236  -2.795
  751   2HB   HIS  62          1HB       HIS  62  36.184   0.071  -4.508
  752    HD1  HIS  62          1HD       HIS  62  35.674   1.797  -1.560
  753    HD2  HIS  62          2HD       HIS  62  33.143   0.834  -4.699
  754    HE1  HIS  62          1HE       HIS  62  33.816   3.493  -1.507
  755    QB   HIS  62           QB       HIS  62  36.303  -0.082  -3.651
  756    H    HIS  63           H        HIS  63  34.751  -2.972  -5.748
  757    HA   HIS  63           HA       HIS  63  37.161  -4.520  -5.297
  758   1HB   HIS  63          2HB       HIS  63  35.084  -5.696  -6.012
  759   2HB   HIS  63          1HB       HIS  63  35.064  -4.747  -7.488
  760    HD1  HIS  63          1HD       HIS  63  36.198  -7.978  -6.204
  761    HD2  HIS  63          2HD       HIS  63  37.447  -5.337  -9.168
  762    HE1  HIS  63          1HE       HIS  63  37.629  -9.302  -7.762
  763    QB   HIS  63           QB       HIS  63  35.074  -5.221  -6.750
  764    H    HIS  64           H        HIS  64  38.750  -2.966  -5.628
  765    HA   HIS  64           HA       HIS  64  38.912  -1.615  -8.157
  766   1HB   HIS  64          2HB       HIS  64  40.746  -1.707  -5.751
  767   2HB   HIS  64          1HB       HIS  64  41.000  -0.714  -7.170
  768    HD1  HIS  64          1HD       HIS  64  39.051   1.223  -7.475
  769    HD2  HIS  64          2HD       HIS  64  39.379  -0.588  -3.756
  770    HE1  HIS  64          1HE       HIS  64  37.928   2.770  -5.847
  771    QB   HIS  64           QB       HIS  64  40.873  -1.210  -6.460

  No H/Q in entry =         771
  Start of MODEL    7
    1    H1   MET   1          3HT       MET   1  12.485  -9.146   3.035
    2    H2   MET   1          2HT       MET   1  12.599 -10.794   3.428
    3    H3   MET   1          1HT       MET   1  13.771 -10.046   2.447
    4    HA   MET   1           HA       MET   1  12.394 -11.288   1.063
    5   1HB   MET   1          2HB       MET   1  10.200  -9.799   2.473
    6   2HB   MET   1          1HB       MET   1   9.949 -10.464   0.869
    7   1HG   MET   1          2HG       MET   1   9.103 -11.948   2.605
    8   2HG   MET   1          1HG       MET   1  10.411 -12.700   1.702
    9   1HE   MET   1          2HE       MET   1  10.574 -14.554   3.553
   10   2HE   MET   1          1HE       MET   1  10.783 -14.206   5.268
   11   3HE   MET   1          3HE       MET   1   9.278 -13.778   4.460
   12    QB   MET   1           QB       MET   1  10.075 -10.131   1.671
   13    QG   MET   1           QG       MET   1   9.757 -12.324   2.153
   14    ME   MET   1           QE       MET   1  10.212 -14.179   4.427
   15    H    ASN   2           H        ASN   2  11.261 -10.391  -0.902
   16    HA   ASN   2           HA       ASN   2  12.884  -8.203  -1.839
   17   1HB   ASN   2          2HB       ASN   2  10.785  -9.911  -3.181
   18   2HB   ASN   2          1HB       ASN   2  11.797  -8.734  -4.012
   19   1HD2  ASN   2          1HD2      ASN   2  11.516 -11.657  -4.338
   20   2HD2  ASN   2          2HD2      ASN   2  13.105 -12.277  -4.122
   21    QB   ASN   2           QB       ASN   2  11.291  -9.323  -3.597
   22    QD   ASN   2           QD2      ASN   2  12.310 -11.967  -4.230
   23    H    VAL   3           H        VAL   3  11.928  -6.348  -2.997
   24    HA   VAL   3           HA       VAL   3   9.917  -5.148  -1.383
   25    HB   VAL   3           HB       VAL   3  10.049  -3.191  -2.819
   26   1HG1  VAL   3          3HG1      VAL   3  11.721  -3.437  -1.086
   27   2HG1  VAL   3          2HG1      VAL   3  12.758  -4.351  -2.180
   28   3HG1  VAL   3          1HG1      VAL   3  12.433  -2.647  -2.494
   29   1HG2  VAL   3          3HG2      VAL   3  10.276  -4.254  -5.003
   30   2HG2  VAL   3          2HG2      VAL   3  11.578  -3.093  -4.752
   31   3HG2  VAL   3          1HG2      VAL   3  11.890  -4.819  -4.581
   32    MG1  VAL   3           QG1      VAL   3  12.304  -3.478  -1.920
   33    MG2  VAL   3           QG2      VAL   3  11.248  -4.056  -4.779
   34    QG   VAL   3           QQG      VAL   3  11.776  -3.767  -3.349
   35    H    THR   4           H        THR   4   9.771  -6.945  -4.244
   36    HA   THR   4           HA       THR   4   7.447  -6.078  -5.459
   37    HB   THR   4           HB       THR   4   8.931  -7.728  -6.467
   38    HG1  THR   4          1HG       THR   4   7.057  -9.389  -6.858
   39   1HG2  THR   4          3HG2      THR   4   9.447  -9.057  -4.503
   40   2HG2  THR   4          2HG2      THR   4   7.795  -9.680  -4.469
   41   3HG2  THR   4          1HG2      THR   4   8.867 -10.100  -5.807
   42    MG   THR   4           QG2      THR   4   8.703  -9.612  -4.926
   43    H    LYS   5           H        LYS   5   7.768  -7.874  -2.495
   44    HA   LYS   5           HA       LYS   5   5.225  -9.046  -2.291
   45   1HB   LYS   5          2HB       LYS   5   5.591  -9.179   0.113
   46   2HB   LYS   5          1HB       LYS   5   7.104  -9.524  -0.708
   47   1HG   LYS   5          2HG       LYS   5   7.963  -7.354  -0.197
   48   2HG   LYS   5          1HG       LYS   5   6.402  -6.828   0.428
   49   1HD   LYS   5          2HD       LYS   5   6.613  -8.540   2.212
   50   2HD   LYS   5          1HD       LYS   5   8.235  -8.906   1.616
   51   1HE   LYS   5          2HE       LYS   5   8.951  -6.637   2.048
   52   2HE   LYS   5          1HE       LYS   5   7.321  -6.180   2.534
   53   1HZ   LYS   5          2HZ       LYS   5   7.512  -7.771   4.363
   54   2HZ   LYS   5          1HZ       LYS   5   9.091  -8.106   3.928
   55   3HZ   LYS   5          3HZ       LYS   5   8.679  -6.559   4.461
   56    QB   LYS   5           QB       LYS   5   6.347  -9.352  -0.297
   57    QD   LYS   5           QD       LYS   5   7.424  -8.723   1.914
   58    QG   LYS   5           QG       LYS   5   7.182  -7.091   0.115
   59    QE   LYS   5           QE       LYS   5   8.136  -6.408   2.291
   60    QZ   LYS   5           QZ       LYS   5   8.427  -7.479   4.251
   61    H    LEU   6           H        LEU   6   6.313  -5.789  -1.733
   62    HA   LEU   6           HA       LEU   6   4.087  -4.866  -0.253
   63   1HB   LEU   6          2HB       LEU   6   6.340  -3.815  -0.271
   64   2HB   LEU   6          1HB       LEU   6   6.070  -3.342  -1.929
   65    HG   LEU   6           HG       LEU   6   4.267  -1.820  -1.217
   66   1HD1  LEU   6          2HD1      LEU   6   4.992  -2.729   1.562
   67   2HD1  LEU   6          1HD1      LEU   6   3.906  -1.397   1.157
   68   3HD1  LEU   6          3HD1      LEU   6   3.473  -3.048   0.723
   69   1HD2  LEU   6          2HD2      LEU   6   6.575  -1.020  -1.350
   70   2HD2  LEU   6          1HD2      LEU   6   5.678  -0.212  -0.065
   71   3HD2  LEU   6          3HD2      LEU   6   6.828  -1.486   0.330
   72    MD1  LEU   6           QD1      LEU   6   4.124  -2.391   1.147
   73    MD2  LEU   6           QD2      LEU   6   6.360  -0.906  -0.362
   74    QB   LEU   6           QB       LEU   6   6.205  -3.579  -1.100
   75    QD   LEU   6           QQD      LEU   6   5.242  -1.648   0.393
   76    H    ASN   7           H        ASN   7   5.021  -4.730  -3.639
   77    HA   ASN   7           HA       ASN   7   2.797  -3.227  -4.520
   78   1HB   ASN   7          2HB       ASN   7   4.859  -3.372  -5.853
   79   2HB   ASN   7          1HB       ASN   7   4.599  -5.093  -6.091
   80   1HD2  ASN   7          1HD2      ASN   7   3.162  -5.768  -7.658
   81   2HD2  ASN   7          2HD2      ASN   7   2.419  -4.682  -8.775
   82    QB   ASN   7           QB       ASN   7   4.729  -4.233  -5.972
   83    QD   ASN   7           QD2      ASN   7   2.791  -5.225  -8.217
   84    H    ASP   8           H        ASP   8   3.391  -6.647  -4.134
   85    HA   ASP   8           HA       ASP   8   1.042  -7.553  -5.459
   86   1HB   ASP   8          2HB       ASP   8   3.018  -9.006  -4.997
   87   2HB   ASP   8          1HB       ASP   8   2.609  -8.959  -3.290
   88    QB   ASP   8           QB       ASP   8   2.814  -8.982  -4.144
   89    H    ARG   9           H        ARG   9   1.781  -6.682  -2.133
   90    HA   ARG   9           HA       ARG   9  -0.752  -7.496  -1.132
   91   1HB   ARG   9          2HB       ARG   9   1.189  -5.504   0.060
   92   2HB   ARG   9          1HB       ARG   9  -0.223  -6.155   0.883
   93   1HG   ARG   9          2HG       ARG   9   0.758  -8.422   0.633
   94   2HG   ARG   9          1HG       ARG   9   2.214  -7.670  -0.018
   95   1HD   ARG   9          2HD       ARG   9   2.590  -8.079   2.297
   96   2HD   ARG   9          1HD       ARG   9   2.348  -6.341   2.087
   97    HE   ARG   9           HE       ARG   9   0.008  -7.891   2.764
   98   1HH1  ARG   9          1HH1      ARG   9   2.602  -5.824   3.966
   99   2HH1  ARG   9          2HH1      ARG   9   1.845  -5.463   5.438
  100   1HH2  ARG   9          1HH2      ARG   9  -1.050  -7.438   4.795
  101   2HH2  ARG   9          2HH2      ARG   9  -0.340  -6.378   5.910
  102    QB   ARG   9           QB       ARG   9   0.483  -5.829   0.472
  103    QG   ARG   9           QG       ARG   9   1.486  -8.046   0.307
  104    QD   ARG   9           QD       ARG   9   2.469  -7.210   2.192
  105    QH1  ARG   9           QH1      ARG   9   2.224  -5.643   4.702
  106    QH2  ARG   9           QH2      ARG   9  -0.695  -6.908   5.352
  107    H    ILE  10           H        ILE  10   0.455  -4.544  -2.552
  108    HA   ILE  10           HA       ILE  10  -1.771  -2.916  -2.007
  109    HB   ILE  10           HB       ILE  10   0.058  -2.824  -4.439
  110   1HG1  ILE  10          2HG1      ILE  10   0.161  -1.245  -1.873
  111   2HG1  ILE  10          1HG1      ILE  10   1.230  -2.589  -2.269
  112   1HG2  ILE  10          3HG2      ILE  10  -2.027  -1.592  -4.819
  113   2HG2  ILE  10          2HG2      ILE  10  -1.792  -0.709  -3.310
  114   3HG2  ILE  10          1HG2      ILE  10  -0.670  -0.476  -4.652
  115   1HD1  ILE  10          2HD1      ILE  10   1.038   0.004  -3.774
  116   2HD1  ILE  10          1HD1      ILE  10   2.297  -0.421  -2.605
  117   3HD1  ILE  10          3HD1      ILE  10   2.147  -1.319  -4.114
  118    MG   ILE  10           QG2      ILE  10  -1.496  -0.925  -4.260
  119    MD   ILE  10           QD1      ILE  10   1.827  -0.578  -3.498
  120    QG   ILE  10           QG1      ILE  10   0.696  -1.917  -2.071
  121    H    GLU  11           H        GLU  11  -1.053  -5.115  -4.690
  122    HA   GLU  11           HA       GLU  11  -3.273  -4.888  -6.328
  123   1HB   GLU  11          2HB       GLU  11  -1.741  -7.342  -5.483
  124   2HB   GLU  11          1HB       GLU  11  -3.013  -7.389  -6.695
  125   1HG   GLU  11          2HG       GLU  11  -0.552  -5.678  -6.893
  126   2HG   GLU  11          1HG       GLU  11  -0.708  -7.279  -7.609
  127    QB   GLU  11           QB       GLU  11  -2.377  -7.365  -6.089
  128    QG   GLU  11           QG       GLU  11  -0.630  -6.478  -7.251
  129    H    ALA  12           H        ALA  12  -2.943  -6.847  -3.442
  130    HA   ALA  12           HA       ALA  12  -5.556  -7.912  -3.516
  131   1HB   ALA  12          2HB       ALA  12  -3.760  -9.048  -2.357
  132   2HB   ALA  12          3HB       ALA  12  -5.081  -8.683  -1.251
  133   3HB   ALA  12          1HB       ALA  12  -3.620  -7.700  -1.224
  134    MB   ALA  12           QB       ALA  12  -4.154  -8.477  -1.611
  135    H    LYS  13           H        LYS  13  -4.273  -4.871  -2.278
  136    HA   LYS  13           HA       LYS  13  -6.355  -4.704  -0.300
  137   1HB   LYS  13          2HB       LYS  13  -4.033  -3.808   0.095
  138   2HB   LYS  13          1HB       LYS  13  -4.368  -2.568  -1.101
  139   1HG   LYS  13          2HG       LYS  13  -5.976  -1.528   0.263
  140   2HG   LYS  13          1HG       LYS  13  -6.095  -2.929   1.330
  141   1HD   LYS  13          2HD       LYS  13  -3.759  -2.544   2.047
  142   2HD   LYS  13          1HD       LYS  13  -3.711  -1.102   1.028
  143   1HE   LYS  13          2HE       LYS  13  -5.375  -0.024   2.350
  144   2HE   LYS  13          1HE       LYS  13  -5.719  -1.507   3.235
  145   1HZ   LYS  13          2HZ       LYS  13  -3.102  -0.063   3.386
  146   2HZ   LYS  13          1HZ       LYS  13  -4.345  -0.005   4.543
  147   3HZ   LYS  13          3HZ       LYS  13  -3.563  -1.429   4.216
  148    QB   LYS  13           QB       LYS  13  -4.200  -3.188  -0.503
  149    QD   LYS  13           QD       LYS  13  -3.735  -1.823   1.537
  150    QG   LYS  13           QG       LYS  13  -6.036  -2.228   0.796
  151    QE   LYS  13           QE       LYS  13  -5.547  -0.766   2.792
  152    QZ   LYS  13           QZ       LYS  13  -3.670  -0.499   4.048
  153    H    LYS  14           H        LYS  14  -5.669  -3.623  -3.440
  154    HA   LYS  14           HA       LYS  14  -7.763  -1.705  -3.659
  155   1HB   LYS  14          2HB       LYS  14  -6.282  -3.252  -5.788
  156   2HB   LYS  14          1HB       LYS  14  -7.269  -1.814  -6.069
  157   1HG   LYS  14          2HG       LYS  14  -5.818  -0.456  -4.777
  158   2HG   LYS  14          1HG       LYS  14  -4.890  -1.849  -4.230
  159   1HD   LYS  14          2HD       LYS  14  -4.956  -0.624  -7.001
  160   2HD   LYS  14          1HD       LYS  14  -3.669  -0.672  -5.764
  161   1HE   LYS  14          2HE       LYS  14  -3.476  -3.018  -5.955
  162   2HE   LYS  14          1HE       LYS  14  -4.747  -3.081  -7.179
  163   1HZ   LYS  14          3HZ       LYS  14  -3.288  -1.706  -8.619
  164   2HZ   LYS  14          2HZ       LYS  14  -2.087  -1.766  -7.442
  165   3HZ   LYS  14          1HZ       LYS  14  -2.566  -3.170  -8.202
  166    QB   LYS  14           QB       LYS  14  -6.775  -2.533  -5.929
  167    QD   LYS  14           QD       LYS  14  -4.312  -0.648  -6.382
  168    QG   LYS  14           QG       LYS  14  -5.354  -1.152  -4.503
  169    QE   LYS  14           QE       LYS  14  -4.111  -3.050  -6.567
  170    QZ   LYS  14           QZ       LYS  14  -2.647  -2.214  -8.087
  171    H    LYS  15           H        LYS  15  -7.482  -5.150  -4.305
  172    HA   LYS  15           HA       LYS  15 -10.128  -5.322  -5.406
  173   1HB   LYS  15          2HB       LYS  15  -8.344  -7.541  -4.391
  174   2HB   LYS  15          1HB       LYS  15  -9.780  -7.735  -5.396
  175   1HG   LYS  15          2HG       LYS  15  -8.688  -6.443  -7.177
  176   2HG   LYS  15          1HG       LYS  15  -7.242  -6.317  -6.184
  177   1HD   LYS  15          2HD       LYS  15  -6.898  -8.072  -7.758
  178   2HD   LYS  15          1HD       LYS  15  -7.133  -8.813  -6.177
  179   1HE   LYS  15          2HE       LYS  15  -9.404  -9.396  -6.724
  180   2HE   LYS  15          1HE       LYS  15  -9.323  -8.495  -8.228
  181   1HZ   LYS  15          3HZ       LYS  15  -7.544 -10.068  -8.923
  182   2HZ   LYS  15          2HZ       LYS  15  -7.877 -10.994  -7.544
  183   3HZ   LYS  15          1HZ       LYS  15  -9.061 -10.774  -8.715
  184    QB   LYS  15           QB       LYS  15  -9.062  -7.638  -4.894
  185    QD   LYS  15           QD       LYS  15  -7.016  -8.442  -6.967
  186    QG   LYS  15           QG       LYS  15  -7.965  -6.380  -6.680
  187    QE   LYS  15           QE       LYS  15  -9.364  -8.946  -7.476
  188    QZ   LYS  15           QZ       LYS  15  -8.161 -10.612  -8.394
  189    H    GLU  16           H        GLU  16  -8.678  -5.686  -2.288
  190    HA   GLU  16           HA       GLU  16 -10.773  -6.764  -0.776
  191   1HB   GLU  16          2HB       GLU  16  -8.353  -6.297  -0.115
  192   2HB   GLU  16          1HB       GLU  16  -8.817  -4.613   0.049
  193   1HG   GLU  16          2HG       GLU  16  -8.839  -5.488   2.213
  194   2HG   GLU  16          1HG       GLU  16 -10.533  -5.409   1.729
  195    QB   GLU  16           QB       GLU  16  -8.585  -5.455  -0.033
  196    QG   GLU  16           QG       GLU  16  -9.686  -5.448   1.971
  197    H    LEU  17           H        LEU  17  -9.828  -3.476  -1.645
  198    HA   LEU  17           HA       LEU  17 -11.888  -2.151  -0.290
  199   1HB   LEU  17          2HB       LEU  17  -9.746  -1.117  -1.032
  200   2HB   LEU  17          1HB       LEU  17 -10.329  -1.174  -2.680
  201    HG   LEU  17           HG       LEU  17 -12.144   0.389  -2.094
  202   1HD1  LEU  17          2HD1      LEU  17 -10.836   0.379   0.625
  203   2HD1  LEU  17          1HD1      LEU  17 -12.061   1.531   0.096
  204   3HD1  LEU  17          3HD1      LEU  17 -12.465  -0.177   0.229
  205   1HD2  LEU  17          2HD2      LEU  17  -9.989   1.251  -2.911
  206   2HD2  LEU  17          1HD2      LEU  17 -10.751   2.363  -1.764
  207   3HD2  LEU  17          3HD2      LEU  17  -9.416   1.340  -1.245
  208    MD1  LEU  17           QD1      LEU  17 -11.787   0.578   0.316
  209    MD2  LEU  17           QD2      LEU  17 -10.052   1.651  -1.973
  210    QB   LEU  17           QB       LEU  17 -10.037  -1.145  -1.856
  211    QD   LEU  17           QQD      LEU  17 -10.920   1.115  -0.828
  212    H    ILE  18           H        ILE  18 -11.672  -3.454  -3.557
  213    HA   ILE  18           HA       ILE  18 -14.063  -2.414  -4.591
  214    HB   ILE  18           HB       ILE  18 -12.861  -5.159  -5.132
  215   1HG1  ILE  18          2HG1      ILE  18 -12.644  -2.577  -6.705
  216   2HG1  ILE  18          1HG1      ILE  18 -11.374  -3.273  -5.706
  217   1HG2  ILE  18          3HG2      ILE  18 -14.963  -3.652  -6.701
  218   2HG2  ILE  18          2HG2      ILE  18 -14.202  -5.165  -7.204
  219   3HG2  ILE  18          1HG2      ILE  18 -15.216  -5.123  -5.764
  220   1HD1  ILE  18          3HD1      ILE  18 -11.296  -5.224  -7.210
  221   2HD1  ILE  18          2HD1      ILE  18 -12.548  -4.482  -8.205
  222   3HD1  ILE  18          1HD1      ILE  18 -10.969  -3.709  -8.053
  223    MG   ILE  18           QG2      ILE  18 -14.794  -4.647  -6.556
  224    MD   ILE  18           QD1      ILE  18 -11.604  -4.472  -7.822
  225    QG   ILE  18           QG1      ILE  18 -12.009  -2.925  -6.205
  226    H    TYR  19           H        TYR  19 -13.489  -5.282  -2.633
  227    HA   TYR  19           HA       TYR  19 -16.127  -6.247  -2.544
  228   1HB   TYR  19          2HB       TYR  19 -14.272  -7.645  -1.883
  229   2HB   TYR  19          1HB       TYR  19 -13.825  -6.548  -0.586
  230    HD1  TYR  19          1HD       TYR  19 -14.823  -6.797   1.570
  231    HD2  TYR  19          2HD       TYR  19 -16.458  -8.895  -1.747
  232    HE1  TYR  19          1HE       TYR  19 -16.279  -8.061   3.093
  233    HE2  TYR  19          2HE       TYR  19 -17.911 -10.169  -0.234
  234    HH   TYR  19           HH       TYR  19 -18.035 -10.809   2.080
  235    QB   TYR  19           QB       TYR  19 -14.049  -7.097  -1.235
  236    QD   TYR  19           QD       TYR  19 -15.640  -7.846  -0.088
  237    QE   TYR  19           QE       TYR  19 -17.095  -9.115   1.430
  238    QR   TYR  19           QR       TYR  19 -16.368  -8.480   0.671
  239    H    LEU  20           H        LEU  20 -14.438  -3.907  -0.598
  240    HA   LEU  20           HA       LEU  20 -16.493  -3.550   1.318
  241   1HB   LEU  20          2HB       LEU  20 -14.205  -1.760   0.544
  242   2HB   LEU  20          1HB       LEU  20 -15.212  -1.542   1.962
  243    HG   LEU  20           HG       LEU  20 -13.498  -3.985   1.475
  244   1HD1  LEU  20          3HD1      LEU  20 -12.126  -1.999   1.753
  245   2HD1  LEU  20          2HD1      LEU  20 -12.986  -1.634   3.246
  246   3HD1  LEU  20          1HD1      LEU  20 -12.005  -3.090   3.128
  247   1HD2  LEU  20          3HD2      LEU  20 -14.993  -3.028   3.916
  248   2HD2  LEU  20          2HD2      LEU  20 -15.431  -4.412   2.914
  249   3HD2  LEU  20          1HD2      LEU  20 -13.941  -4.438   3.843
  250    MD1  LEU  20           QD1      LEU  20 -12.372  -2.241   2.709
  251    MD2  LEU  20           QD2      LEU  20 -14.788  -3.959   3.558
  252    QB   LEU  20           QB       LEU  20 -14.708  -1.651   1.253
  253    QD   LEU  20           QQD      LEU  20 -13.580  -3.100   3.134
  254    H    VAL  21           H        VAL  21 -15.682  -1.939  -1.706
  255    HA   VAL  21           HA       VAL  21 -17.692   0.079  -1.466
  256    HB   VAL  21           HB       VAL  21 -16.363  -0.969  -4.005
  257   1HG1  VAL  21          1HG1      VAL  21 -18.434   0.226  -4.513
  258   2HG1  VAL  21          3HG1      VAL  21 -17.886   1.599  -3.551
  259   3HG1  VAL  21          2HG1      VAL  21 -17.029   1.165  -5.025
  260   1HG2  VAL  21          3HG2      VAL  21 -15.678   1.422  -2.299
  261   2HG2  VAL  21          2HG2      VAL  21 -14.731  -0.061  -2.450
  262   3HG2  VAL  21          1HG2      VAL  21 -14.919   1.009  -3.837
  263    MG1  VAL  21           QG1      VAL  21 -17.783   0.997  -4.363
  264    MG2  VAL  21           QG2      VAL  21 -15.110   0.790  -2.862
  265    QG   VAL  21           QQG      VAL  21 -16.446   0.893  -3.612
  266    H    GLU  22           H        GLU  22 -17.614  -3.191  -2.837
  267    HA   GLU  22           HA       GLU  22 -20.008  -3.318  -4.115
  268   1HB   GLU  22          2HB       GLU  22 -17.922  -4.809  -3.866
  269   2HB   GLU  22          1HB       GLU  22 -18.705  -5.420  -2.432
  270   1HG   GLU  22          2HG       GLU  22 -19.798  -5.515  -5.194
  271   2HG   GLU  22          1HG       GLU  22 -18.857  -6.770  -4.374
  272    QB   GLU  22           QB       GLU  22 -18.313  -5.114  -3.149
  273    QG   GLU  22           QG       GLU  22 -19.327  -6.143  -4.784
  274    H    LYS  23           H        LYS  23 -19.156  -4.123  -0.745
  275    HA   LYS  23           HA       LYS  23 -21.920  -4.500  -0.138
  276   1HB   LYS  23          2HB       LYS  23 -19.444  -5.157   1.336
  277   2HB   LYS  23          1HB       LYS  23 -20.954  -5.051   2.236
  278   1HG   LYS  23          2HG       LYS  23 -20.622  -6.735  -0.235
  279   2HG   LYS  23          1HG       LYS  23 -20.365  -7.348   1.404
  280   1HD   LYS  23          2HD       LYS  23 -22.630  -6.858   2.012
  281   2HD   LYS  23          1HD       LYS  23 -22.940  -6.024   0.506
  282   1HE   LYS  23          2HE       LYS  23 -22.240  -8.941   0.731
  283   2HE   LYS  23          1HE       LYS  23 -23.883  -8.319   0.643
  284   1HZ   LYS  23          1HZ       LYS  23 -21.842  -7.859  -1.505
  285   2HZ   LYS  23          3HZ       LYS  23 -23.002  -9.082  -1.516
  286   3HZ   LYS  23          2HZ       LYS  23 -23.464  -7.473  -1.544
  287    QB   LYS  23           QB       LYS  23 -20.199  -5.104   1.786
  288    QD   LYS  23           QD       LYS  23 -22.785  -6.441   1.259
  289    QG   LYS  23           QG       LYS  23 -20.494  -7.042   0.584
  290    QE   LYS  23           QE       LYS  23 -23.062  -8.630   0.687
  291    QZ   LYS  23           QZ       LYS  23 -22.769  -8.138  -1.522
  292    H    TYR  24           H        TYR  24 -19.723  -1.925   0.575
  293    HA   TYR  24           HA       TYR  24 -21.825  -0.794   2.297
  294   1HB   TYR  24          2HB       TYR  24 -18.930  -0.027   1.995
  295   2HB   TYR  24          1HB       TYR  24 -20.096   0.909   2.912
  296    HD1  TYR  24          1HD       TYR  24 -21.542  -0.930   4.503
  297    HD2  TYR  24          2HD       TYR  24 -17.448  -1.089   3.363
  298    HE1  TYR  24          1HE       TYR  24 -21.029  -2.202   6.534
  299    HE2  TYR  24          2HE       TYR  24 -16.928  -2.369   5.388
  300    HH   TYR  24           HH       TYR  24 -19.270  -3.795   7.283
  301    QB   TYR  24           QB       TYR  24 -19.513   0.441   2.454
  302    QD   TYR  24           QD       TYR  24 -19.495  -1.009   3.933
  303    QE   TYR  24           QE       TYR  24 -18.979  -2.285   5.961
  304    QR   TYR  24           QR       TYR  24 -19.237  -1.647   4.947
  305    H    GLY  25           H        GLY  25 -19.720   0.030  -0.363
  306   1HA   GLY  25          1HA       GLY  25 -21.459   2.333  -0.951
  307   2HA   GLY  25          2HA       GLY  25 -20.757   1.302  -2.206
  308    QA   GLY  25           QA       GLY  25 -21.108   1.818  -1.578
  309    H    PHE  26           H        PHE  26 -20.172   3.921  -2.421
  310    HA   PHE  26           HA       PHE  26 -17.379   3.915  -1.567
  311   1HB   PHE  26          2HB       PHE  26 -16.966   5.603  -3.342
  312   2HB   PHE  26          1HB       PHE  26 -17.591   4.090  -3.963
  313    HD1  PHE  26          1HD       PHE  26 -18.302   7.646  -3.405
  314    HD2  PHE  26          2HD       PHE  26 -19.761   3.989  -5.018
  315    HE1  PHE  26          1HE       PHE  26 -20.033   8.885  -4.644
  316    HE2  PHE  26          2HE       PHE  26 -21.489   5.221  -6.248
  317    HZ   PHE  26           HZ       PHE  26 -21.626   7.670  -6.066
  318    QB   PHE  26           QB       PHE  26 -17.278   4.846  -3.652
  319    QD   PHE  26           QD       PHE  26 -19.031   5.818  -4.212
  320    QE   PHE  26           QE       PHE  26 -20.761   7.053  -5.446
  321    QR   PHE  26           QR       PHE  26 -20.242   6.682  -5.076
  322    H    THR  27           H        THR  27 -20.282   5.347  -0.754
  323    HA   THR  27           HA       THR  27 -19.114   7.833   0.172
  324    HB   THR  27           HB       THR  27 -21.542   8.204   0.893
  325    HG1  THR  27          1HG       THR  27 -22.223   6.062   0.858
  326   1HG2  THR  27          2HG2      THR  27 -20.929   7.721  -2.028
  327   2HG2  THR  27          1HG2      THR  27 -22.248   8.707  -1.401
  328   3HG2  THR  27          3HG2      THR  27 -20.579   9.201  -1.133
  329    MG   THR  27           QG2      THR  27 -21.252   8.543  -1.521
  330    H    HIS  28           H        HIS  28 -18.615   5.063   1.329
  331    HA   HIS  28           HA       HIS  28 -19.684   5.453   4.024
  332   1HB   HIS  28          2HB       HIS  28 -20.028   3.274   2.747
  333   2HB   HIS  28          1HB       HIS  28 -18.296   3.019   2.887
  334    HD1  HIS  28          1HD       HIS  28 -21.471   2.700   4.766
  335    HD2  HIS  28          2HD       HIS  28 -17.409   2.477   5.498
  336    HE1  HIS  28          1HE       HIS  28 -21.240   1.572   6.997
  337    QB   HIS  28           QB       HIS  28 -19.162   3.146   2.817
  338    H    HIS  29           H        HIS  29 -18.333   5.971   5.650
  339    HA   HIS  29           HA       HIS  29 -15.882   7.150   5.085
  340   1HB   HIS  29          2HB       HIS  29 -17.256   7.869   6.971
  341   2HB   HIS  29          1HB       HIS  29 -16.987   6.334   7.780
  342    HD1  HIS  29          1HD       HIS  29 -15.002   6.249   9.359
  343    HD2  HIS  29          2HD       HIS  29 -14.820   9.460   6.721
  344    HE1  HIS  29          1HE       HIS  29 -13.021   7.624  10.066
  345    QB   HIS  29           QB       HIS  29 -17.122   7.102   7.376
  346    H    LYS  30           H        LYS  30 -16.504   3.904   6.401
  347    HA   LYS  30           HA       LYS  30 -13.853   3.241   7.089
  348   1HB   LYS  30          2HB       LYS  30 -15.804   1.299   5.808
  349   2HB   LYS  30          1HB       LYS  30 -14.384   0.893   6.731
  350   1HG   LYS  30          2HG       LYS  30 -15.428   1.825   8.751
  351   2HG   LYS  30          1HG       LYS  30 -16.876   2.197   7.807
  352   1HD   LYS  30          2HD       LYS  30 -16.990  -0.234   7.183
  353   2HD   LYS  30          1HD       LYS  30 -15.694  -0.530   8.336
  354   1HE   LYS  30          2HE       LYS  30 -17.139   0.397  10.130
  355   2HE   LYS  30          1HE       LYS  30 -18.418   0.599   8.939
  356   1HZ   LYS  30          2HZ       LYS  30 -18.318  -1.842   8.556
  357   2HZ   LYS  30          1HZ       LYS  30 -17.195  -1.955   9.788
  358   3HZ   LYS  30          3HZ       LYS  30 -18.757  -1.442  10.136
  359    QB   LYS  30           QB       LYS  30 -15.094   1.096   6.269
  360    QD   LYS  30           QD       LYS  30 -16.342  -0.382   7.760
  361    QG   LYS  30           QG       LYS  30 -16.152   2.011   8.279
  362    QE   LYS  30           QE       LYS  30 -17.779   0.498   9.534
  363    QZ   LYS  30           QZ       LYS  30 -18.090  -1.746   9.493
  364    H    VAL  31           H        VAL  31 -15.538   2.990   4.022
  365    HA   VAL  31           HA       VAL  31 -13.529   1.790   2.485
  366    HB   VAL  31           HB       VAL  31 -15.758   3.681   1.655
  367   1HG1  VAL  31          2HG1      VAL  31 -14.005   3.554  -0.066
  368   2HG1  VAL  31          1HG1      VAL  31 -14.154   1.797  -0.079
  369   3HG1  VAL  31          3HG1      VAL  31 -15.507   2.804  -0.601
  370   1HG2  VAL  31          2HG2      VAL  31 -16.536   1.650   2.769
  371   2HG2  VAL  31          1HG2      VAL  31 -16.961   1.634   1.054
  372   3HG2  VAL  31          3HG2      VAL  31 -15.606   0.672   1.640
  373    MG1  VAL  31           QG1      VAL  31 -14.555   2.718  -0.249
  374    MG2  VAL  31           QG2      VAL  31 -16.368   1.319   1.821
  375    QG   VAL  31           QQG      VAL  31 -15.461   2.018   0.786
  376    H    ILE  32           H        ILE  32 -14.266   5.176   3.098
  377    HA   ILE  32           HA       ILE  32 -12.234   6.269   1.452
  378    HB   ILE  32           HB       ILE  32 -13.590   7.493   3.887
  379   1HG1  ILE  32          2HG1      ILE  32 -14.273   7.732   0.942
  380   2HG1  ILE  32          1HG1      ILE  32 -15.143   6.745   2.112
  381   1HG2  ILE  32          2HG2      ILE  32 -11.530   8.700   3.286
  382   2HG2  ILE  32          1HG2      ILE  32 -12.088   8.835   1.622
  383   3HG2  ILE  32          3HG2      ILE  32 -12.959   9.668   2.909
  384   1HD1  ILE  32          2HD1      ILE  32 -14.897   9.744   2.169
  385   2HD1  ILE  32          1HD1      ILE  32 -16.303   8.825   1.637
  386   3HD1  ILE  32          3HD1      ILE  32 -15.793   8.754   3.321
  387    MG   ILE  32           QG2      ILE  32 -12.192   9.068   2.605
  388    MD   ILE  32           QD1      ILE  32 -15.664   9.108   2.375
  389    QG   ILE  32           QG1      ILE  32 -14.708   7.239   1.527
  390    H    SER  33           H        SER  33 -12.329   5.270   4.814
  391    HA   SER  33           HA       SER  33  -9.776   6.184   5.569
  392   1HB   SER  33          2HB       SER  33 -11.495   5.559   7.226
  393   2HB   SER  33          1HB       SER  33 -11.427   3.889   6.682
  394    HG   SER  33           HG       SER  33  -9.270   5.336   7.829
  395    QB   SER  33           QB       SER  33 -11.461   4.724   6.954
  396    H    PHE  34           H        PHE  34 -10.884   3.084   4.202
  397    HA   PHE  34           HA       PHE  34  -8.287   1.927   4.296
  398   1HB   PHE  34          2HB       PHE  34 -10.683   1.157   2.626
  399   2HB   PHE  34          1HB       PHE  34  -9.182   0.244   2.661
  400    HD1  PHE  34          1HD       PHE  34 -12.378   0.478   3.945
  401    HD2  PHE  34          2HD       PHE  34  -8.415  -0.428   5.115
  402    HE1  PHE  34          1HE       PHE  34 -13.257  -0.814   5.835
  403    HE2  PHE  34          2HE       PHE  34  -9.266  -1.726   7.033
  404    HZ   PHE  34           HZ       PHE  34 -11.695  -1.920   7.401
  405    QB   PHE  34           QB       PHE  34  -9.932   0.701   2.643
  406    QD   PHE  34           QD       PHE  34 -10.396   0.025   4.530
  407    QE   PHE  34           QE       PHE  34 -11.262  -1.270   6.434
  408    QR   PHE  34           QR       PHE  34 -11.002  -0.882   5.866
  409    H    SER  35           H        SER  35 -10.030   3.772   1.903
  410    HA   SER  35           HA       SER  35  -8.319   3.344  -0.249
  411   1HB   SER  35          2HB       SER  35 -10.605   4.327  -0.429
  412   2HB   SER  35          1HB       SER  35 -10.003   5.806   0.310
  413    HG   SER  35           HG       SER  35  -9.826   4.931  -2.255
  414    QB   SER  35           QB       SER  35 -10.304   5.067  -0.060
  415    H    GLN  36           H        GLN  36  -8.254   5.946   2.184
  416    HA   GLN  36           HA       GLN  36  -5.966   7.181   1.061
  417   1HB   GLN  36          2HB       GLN  36  -5.824   8.443   3.186
  418   2HB   GLN  36          1HB       GLN  36  -7.440   8.446   2.496
  419   1HG   GLN  36          2HG       GLN  36  -8.061   6.649   4.065
  420   2HG   GLN  36          1HG       GLN  36  -6.467   6.802   4.804
  421   1HE2  GLN  36          1HE2      GLN  36  -9.553   8.251   4.352
  422   2HE2  GLN  36          2HE2      GLN  36  -9.362   9.473   5.570
  423    QB   GLN  36           QB       GLN  36  -6.632   8.445   2.841
  424    QG   GLN  36           QG       GLN  36  -7.264   6.725   4.435
  425    QE   GLN  36           QE2      GLN  36  -9.458   8.862   4.961
  426    H    GLU  37           H        GLU  37  -6.346   4.582   3.314
  427    HA   GLU  37           HA       GLU  37  -3.610   4.482   4.165
  428   1HB   GLU  37          2HB       GLU  37  -5.889   2.537   4.275
  429   2HB   GLU  37          1HB       GLU  37  -4.268   2.066   4.759
  430   1HG   GLU  37          2HG       GLU  37  -5.832   4.338   5.959
  431   2HG   GLU  37          1HG       GLU  37  -5.710   2.716   6.644
  432    QB   GLU  37           QB       GLU  37  -5.078   2.301   4.517
  433    QG   GLU  37           QG       GLU  37  -5.771   3.527   6.302
  434    H    LEU  38           H        LEU  38  -5.473   3.118   1.593
  435    HA   LEU  38           HA       LEU  38  -3.519   1.314   0.583
  436   1HB   LEU  38          2HB       LEU  38  -6.036   1.326   0.207
  437   2HB   LEU  38          1HB       LEU  38  -5.802   2.690  -0.848
  438    HG   LEU  38           HG       LEU  38  -4.654  -0.059  -1.373
  439   1HD1  LEU  38          2HD1      LEU  38  -7.093  -0.073  -1.279
  440   2HD1  LEU  38          1HD1      LEU  38  -7.148   1.251  -2.444
  441   3HD1  LEU  38          3HD1      LEU  38  -6.503  -0.320  -2.922
  442   1HD2  LEU  38          2HD2      LEU  38  -3.514   1.806  -2.554
  443   2HD2  LEU  38          1HD2      LEU  38  -4.391   0.755  -3.668
  444   3HD2  LEU  38          3HD2      LEU  38  -5.072   2.316  -3.206
  445    MD1  LEU  38           QD1      LEU  38  -6.915   0.286  -2.215
  446    MD2  LEU  38           QD2      LEU  38  -4.326   1.625  -3.143
  447    QB   LEU  38           QB       LEU  38  -5.919   2.008  -0.320
  448    QD   LEU  38           QQD      LEU  38  -5.620   0.956  -2.679
  449    H    ASP  39           H        ASP  39  -4.537   4.592  -0.098
  450    HA   ASP  39           HA       ASP  39  -2.868   5.266  -2.205
  451   1HB   ASP  39          2HB       ASP  39  -4.725   6.671  -1.388
  452   2HB   ASP  39          1HB       ASP  39  -3.807   7.017   0.074
  453    QB   ASP  39           QB       ASP  39  -4.266   6.844  -0.657
  454    H    ARG  40           H        ARG  40  -2.310   5.563   1.265
  455    HA   ARG  40           HA       ARG  40   0.328   6.542   1.129
  456   1HB   ARG  40          2HB       ARG  40  -0.973   6.761   3.169
  457   2HB   ARG  40          1HB       ARG  40  -1.103   5.019   3.321
  458   1HG   ARG  40          2HG       ARG  40   0.506   5.927   4.915
  459   2HG   ARG  40          1HG       ARG  40   1.300   4.867   3.755
  460   1HD   ARG  40          2HD       ARG  40   2.645   6.844   4.150
  461   2HD   ARG  40          1HD       ARG  40   2.046   6.835   2.492
  462    HE   ARG  40           HE       ARG  40   0.357   8.293   4.256
  463   1HH1  ARG  40          1HH1      ARG  40   3.340   8.535   2.366
  464   2HH1  ARG  40          2HH1      ARG  40   3.312  10.237   2.265
  465   1HH2  ARG  40          1HH2      ARG  40   0.304  10.627   4.089
  466   2HH2  ARG  40          2HH2      ARG  40   1.518  11.458   3.240
  467    QB   ARG  40           QB       ARG  40  -1.038   5.890   3.245
  468    QG   ARG  40           QG       ARG  40   0.903   5.397   4.335
  469    QD   ARG  40           QD       ARG  40   2.346   6.840   3.321
  470    QH1  ARG  40           QH1      ARG  40   3.326   9.386   2.315
  471    QH2  ARG  40           QH2      ARG  40   0.911  11.043   3.664
  472    H    LEU  41           H        LEU  41  -0.962   3.253   1.089
  473    HA   LEU  41           HA       LEU  41   1.447   1.889   1.552
  474   1HB   LEU  41          2HB       LEU  41  -0.871   0.960   1.776
  475   2HB   LEU  41          1HB       LEU  41  -1.013   1.019   0.038
  476    HG   LEU  41           HG       LEU  41   0.862  -0.532  -0.130
  477   1HD1  LEU  41          3HD1      LEU  41   0.531  -0.769   2.858
  478   2HD1  LEU  41          2HD1      LEU  41   1.502  -1.849   1.862
  479   3HD1  LEU  41          1HD1      LEU  41   1.943  -0.149   2.007
  480   1HD2  LEU  41          2HD2      LEU  41  -1.429  -1.321  -0.300
  481   2HD2  LEU  41          1HD2      LEU  41  -0.427  -2.528   0.511
  482   3HD2  LEU  41          3HD2      LEU  41  -1.510  -1.505   1.451
  483    MD1  LEU  41           QD1      LEU  41   1.325  -0.922   2.242
  484    MD2  LEU  41           QD2      LEU  41  -1.122  -1.785   0.554
  485    QB   LEU  41           QB       LEU  41  -0.942   0.990   0.907
  486    QD   LEU  41           QQD      LEU  41   0.102  -1.353   1.398
  487    H    LEU  42           H        LEU  42  -0.241   2.995  -1.324
  488    HA   LEU  42           HA       LEU  42   1.518   1.899  -3.253
  489   1HB   LEU  42          2HB       LEU  42  -0.773   2.640  -3.760
  490   2HB   LEU  42          1HB       LEU  42  -0.311   4.295  -3.431
  491    HG   LEU  42           HG       LEU  42   1.258   4.188  -5.364
  492   1HD1  LEU  42          2HD1      LEU  42   1.624   1.792  -5.429
  493   2HD1  LEU  42          1HD1      LEU  42  -0.062   1.531  -5.873
  494   3HD1  LEU  42          3HD1      LEU  42   1.020   2.378  -6.981
  495   1HD2  LEU  42          1HD2      LEU  42  -1.626   3.567  -5.962
  496   2HD2  LEU  42          3HD2      LEU  42  -0.958   5.160  -5.610
  497   3HD2  LEU  42          2HD2      LEU  42  -0.484   4.308  -7.080
  498    MD1  LEU  42           QD1      LEU  42   0.861   1.900  -6.094
  499    MD2  LEU  42           QD2      LEU  42  -1.023   4.345  -6.217
  500    QB   LEU  42           QB       LEU  42  -0.542   3.468  -3.596
  501    QD   LEU  42           QQD      LEU  42  -0.081   3.123  -6.156
  502    H    ASN  43           H        ASN  43   1.471   4.916  -1.475
  503    HA   ASN  43           HA       ASN  43   3.454   6.356  -2.854
  504   1HB   ASN  43          2HB       ASN  43   2.811   6.364   0.102
  505   2HB   ASN  43          1HB       ASN  43   3.965   7.453  -0.642
  506   1HD2  ASN  43          1HD2      ASN  43   2.363   7.942  -3.054
  507   2HD2  ASN  43          2HD2      ASN  43   1.038   8.891  -2.503
  508    QB   ASN  43           QB       ASN  43   3.388   6.908  -0.270
  509    QD   ASN  43           QD2      ASN  43   1.701   8.417  -2.779
  510    H    LEU  44           H        LEU  44   3.677   3.806  -0.506
  511    HA   LEU  44           HA       LEU  44   6.330   4.085   0.266
  512   1HB   LEU  44          2HB       LEU  44   4.631   1.625   0.099
  513   2HB   LEU  44          1HB       LEU  44   6.204   1.656   0.871
  514    HG   LEU  44           HG       LEU  44   3.749   3.191   1.735
  515   1HD1  LEU  44          1HD1      LEU  44   3.666   0.798   2.194
  516   2HD1  LEU  44          3HD1      LEU  44   5.215   0.900   3.027
  517   3HD1  LEU  44          2HD1      LEU  44   3.809   1.741   3.680
  518   1HD2  LEU  44          3HD2      LEU  44   6.516   3.092   2.945
  519   2HD2  LEU  44          2HD2      LEU  44   5.753   4.491   2.192
  520   3HD2  LEU  44          1HD2      LEU  44   5.100   3.836   3.687
  521    MD1  LEU  44           QD1      LEU  44   4.230   1.146   2.967
  522    MD2  LEU  44           QD2      LEU  44   5.790   3.806   2.941
  523    QB   LEU  44           QB       LEU  44   5.418   1.641   0.485
  524    QD   LEU  44           QQD      LEU  44   5.010   2.476   2.954
  525    H    LEU  45           H        LEU  45   5.041   2.573  -2.636
  526    HA   LEU  45           HA       LEU  45   7.385   1.184  -3.393
  527   1HB   LEU  45          2HB       LEU  45   5.269   2.454  -5.140
  528   2HB   LEU  45          1HB       LEU  45   6.527   1.392  -5.729
  529    HG   LEU  45           HG       LEU  45   4.312   0.618  -3.827
  530   1HD1  LEU  45          1HD1      LEU  45   4.759  -0.008  -6.743
  531   2HD1  LEU  45          3HD1      LEU  45   3.479  -0.680  -5.734
  532   3HD1  LEU  45          2HD1      LEU  45   3.511   1.048  -6.083
  533   1HD2  LEU  45          1HD2      LEU  45   6.360  -0.683  -3.443
  534   2HD2  LEU  45          3HD2      LEU  45   5.104  -1.673  -4.186
  535   3HD2  LEU  45          2HD2      LEU  45   6.438  -1.066  -5.163
  536    MD1  LEU  45           QD1      LEU  45   3.916   0.120  -6.187
  537    MD2  LEU  45           QD2      LEU  45   5.967  -1.141  -4.264
  538    QB   LEU  45           QB       LEU  45   5.898   1.923  -5.435
  539    QD   LEU  45           QQD      LEU  45   4.942  -0.510  -5.225
  540    H    ILE  46           H        ILE  46   6.308   4.461  -3.976
  541    HA   ILE  46           HA       ILE  46   8.588   5.195  -5.526
  542    HB   ILE  46           HB       ILE  46   6.532   6.976  -4.156
  543   1HG1  ILE  46          2HG1      ILE  46   5.737   7.381  -6.545
  544   2HG1  ILE  46          1HG1      ILE  46   6.731   6.017  -7.018
  545   1HG2  ILE  46          1HG2      ILE  46   8.631   7.693  -6.195
  546   2HG2  ILE  46          3HG2      ILE  46   7.345   8.762  -5.638
  547   3HG2  ILE  46          2HG2      ILE  46   8.580   8.201  -4.507
  548   1HD1  ILE  46          1HD1      ILE  46   4.403   5.914  -5.106
  549   2HD1  ILE  46          3HD1      ILE  46   4.381   5.406  -6.793
  550   3HD1  ILE  46          2HD1      ILE  46   5.380   4.540  -5.630
  551    MG   ILE  46           QG2      ILE  46   8.186   8.218  -5.447
  552    MD   ILE  46           QD1      ILE  46   4.721   5.287  -5.843
  553    QG   ILE  46           QG1      ILE  46   6.234   6.699  -6.781
  554    H    GLU  47           H        GLU  47   7.496   5.740  -2.234
  555    HA   GLU  47           HA       GLU  47   9.581   7.395  -1.437
  556   1HB   GLU  47          2HB       GLU  47   7.787   5.656   0.220
  557   2HB   GLU  47          1HB       GLU  47   8.921   6.820   0.887
  558   1HG   GLU  47          2HG       GLU  47   6.560   7.407  -0.887
  559   2HG   GLU  47          1HG       GLU  47   6.740   7.792   0.825
  560    QB   GLU  47           QB       GLU  47   8.354   6.238   0.554
  561    QG   GLU  47           QG       GLU  47   6.650   7.600  -0.031
  562    H    LEU  48           H        LEU  48   9.348   3.873  -1.254
  563    HA   LEU  48           HA       LEU  48  11.572   3.508   0.412
  564   1HB   LEU  48          2HB       LEU  48   9.780   1.809  -0.080
  565   2HB   LEU  48          1HB       LEU  48  10.481   1.580  -1.658
  566    HG   LEU  48           HG       LEU  48  10.971  -0.235   0.010
  567   1HD1  LEU  48          3HD1      LEU  48  13.399   1.169  -1.073
  568   2HD1  LEU  48          2HD1      LEU  48  13.335  -0.502  -0.512
  569   3HD1  LEU  48          1HD1      LEU  48  12.403  -0.009  -1.927
  570   1HD2  LEU  48          2HD2      LEU  48  11.224   1.129   2.002
  571   2HD2  LEU  48          1HD2      LEU  48  12.672   0.167   1.727
  572   3HD2  LEU  48          3HD2      LEU  48  12.669   1.884   1.329
  573    MD1  LEU  48           QD1      LEU  48  13.046   0.219  -1.171
  574    MD2  LEU  48           QD2      LEU  48  12.188   1.060   1.686
  575    QB   LEU  48           QB       LEU  48  10.131   1.694  -0.869
  576    QD   LEU  48           QQD      LEU  48  12.617   0.640   0.258
  577    H    LYS  49           H        LYS  49  11.332   3.525  -3.137
  578    HA   LYS  49           HA       LYS  49  14.124   3.036  -3.428
  579   1HB   LYS  49          2HB       LYS  49  13.856   3.738  -5.789
  580   2HB   LYS  49          1HB       LYS  49  12.766   2.427  -5.320
  581   1HG   LYS  49          2HG       LYS  49  10.923   4.005  -5.228
  582   2HG   LYS  49          1HG       LYS  49  12.023   5.350  -5.536
  583   1HD   LYS  49          2HD       LYS  49  10.871   4.802  -7.575
  584   2HD   LYS  49          1HD       LYS  49  12.557   4.328  -7.745
  585   1HE   LYS  49          2HE       LYS  49  11.169   2.630  -8.680
  586   2HE   LYS  49          1HE       LYS  49  11.880   1.989  -7.204
  587   1HZ   LYS  49          1HZ       LYS  49   9.139   3.089  -7.465
  588   2HZ   LYS  49          3HZ       LYS  49   9.530   1.459  -7.415
  589   3HZ   LYS  49          2HZ       LYS  49   9.778   2.417  -6.050
  590    QB   LYS  49           QB       LYS  49  13.311   3.083  -5.554
  591    QD   LYS  49           QD       LYS  49  11.714   4.565  -7.660
  592    QG   LYS  49           QG       LYS  49  11.473   4.677  -5.382
  593    QE   LYS  49           QE       LYS  49  11.524   2.310  -7.942
  594    QZ   LYS  49           QZ       LYS  49   9.482   2.322  -6.977
  595    H    THR  50           H        THR  50  12.191   5.888  -3.106
  596    HA   THR  50           HA       THR  50  14.202   7.667  -3.912
  597    HB   THR  50           HB       THR  50  11.771   8.246  -2.160
  598    HG1  THR  50          1HG       THR  50  11.103   7.419  -4.167
  599   1HG2  THR  50          1HG2      THR  50  13.469  10.033  -2.151
  600   2HG2  THR  50          3HG2      THR  50  13.405  10.084  -3.914
  601   3HG2  THR  50          2HG2      THR  50  11.984  10.533  -2.970
  602    MG   THR  50           QG2      THR  50  12.953  10.217  -3.012
  603    H    LYS  51           H        LYS  51  13.734   5.856  -1.042
  604    HA   LYS  51           HA       LYS  51  15.071   7.493   0.879
  605   1HB   LYS  51          2HB       LYS  51  14.776   4.484   0.781
  606   2HB   LYS  51          1HB       LYS  51  15.395   5.374   2.148
  607   1HG   LYS  51          2HG       LYS  51  12.577   5.666   1.087
  608   2HG   LYS  51          1HG       LYS  51  13.034   4.542   2.353
  609   1HD   LYS  51          2HD       LYS  51  12.207   6.344   3.554
  610   2HD   LYS  51          1HD       LYS  51  13.935   6.650   3.571
  611   1HE   LYS  51          2HE       LYS  51  12.763   8.715   3.153
  612   2HE   LYS  51          1HE       LYS  51  13.599   8.280   1.678
  613   1HZ   LYS  51          1HZ       LYS  51  10.730   7.863   2.259
  614   2HZ   LYS  51          3HZ       LYS  51  11.365   9.060   1.288
  615   3HZ   LYS  51          2HZ       LYS  51  11.468   7.433   0.795
  616    QB   LYS  51           QB       LYS  51  15.085   4.929   1.464
  617    QD   LYS  51           QD       LYS  51  13.071   6.497   3.562
  618    QG   LYS  51           QG       LYS  51  12.806   5.104   1.720
  619    QE   LYS  51           QE       LYS  51  13.181   8.498   2.416
  620    QZ   LYS  51           QZ       LYS  51  11.188   8.119   1.447
  621    H    LYS  52           H        LYS  52  16.190   5.750  -1.804
  622    HA   LYS  52           HA       LYS  52  18.130   5.258  -2.732
  623   1HB   LYS  52          2HB       LYS  52  19.965   6.862  -2.612
  624   2HB   LYS  52          1HB       LYS  52  18.426   7.685  -2.727
  625   1HG   LYS  52          2HG       LYS  52  18.535   8.235  -0.358
  626   2HG   LYS  52          1HG       LYS  52  20.048   7.345  -0.207
  627   1HD   LYS  52          2HD       LYS  52  21.115   8.886  -1.778
  628   2HD   LYS  52          1HD       LYS  52  19.596   9.760  -1.965
  629   1HE   LYS  52          2HE       LYS  52  21.102   9.447   0.628
  630   2HE   LYS  52          1HE       LYS  52  21.185  10.868  -0.407
  631   1HZ   LYS  52          2HZ       LYS  52  18.790  11.186  -0.048
  632   2HZ   LYS  52          1HZ       LYS  52  18.731   9.850   0.951
  633   3HZ   LYS  52          3HZ       LYS  52  19.626  11.196   1.407
  634    QB   LYS  52           QB       LYS  52  19.196   7.273  -2.670
  635    QD   LYS  52           QD       LYS  52  20.356   9.323  -1.872
  636    QG   LYS  52           QG       LYS  52  19.292   7.790  -0.282
  637    QE   LYS  52           QE       LYS  52  21.143  10.158   0.111
  638    QZ   LYS  52           QZ       LYS  52  19.049  10.744   0.770
  639    H    LYS  53           H        LYS  53  17.677   4.231   0.127
  640    HA   LYS  53           HA       LYS  53  20.407   3.466   0.734
  641   1HB   LYS  53          2HB       LYS  53  19.474   2.575   2.882
  642   2HB   LYS  53          1HB       LYS  53  19.186   4.279   2.610
  643   1HG   LYS  53          2HG       LYS  53  17.173   3.529   3.528
  644   2HG   LYS  53          1HG       LYS  53  16.849   3.591   1.803
  645   1HD   LYS  53          2HD       LYS  53  15.904   1.567   2.745
  646   2HD   LYS  53          1HD       LYS  53  17.241   1.148   1.677
  647   1HE   LYS  53          2HE       LYS  53  17.327  -0.182   3.720
  648   2HE   LYS  53          1HE       LYS  53  18.718   0.880   3.618
  649   1HZ   LYS  53          1HZ       LYS  53  16.298   1.368   5.300
  650   2HZ   LYS  53          3HZ       LYS  53  17.803   0.871   5.841
  651   3HZ   LYS  53          2HZ       LYS  53  17.630   2.392   5.200
  652    QB   LYS  53           QB       LYS  53  19.330   3.427   2.746
  653    QD   LYS  53           QD       LYS  53  16.572   1.358   2.211
  654    QG   LYS  53           QG       LYS  53  17.011   3.560   2.665
  655    QE   LYS  53           QE       LYS  53  18.022   0.349   3.669
  656    QZ   LYS  53           QZ       LYS  53  17.244   1.544   5.447
  657    H    ARG  54           H        ARG  54  18.805   2.534  -1.482
  658    HA   ARG  54           HA       ARG  54  19.238  -0.356  -1.202
  659   1HB   ARG  54          2HB       ARG  54  17.134   1.159  -2.770
  660   2HB   ARG  54          1HB       ARG  54  17.557  -0.502  -3.142
  661   1HG   ARG  54          2HG       ARG  54  16.612   0.348  -0.422
  662   2HG   ARG  54          1HG       ARG  54  15.504  -0.134  -1.707
  663   1HD   ARG  54          2HD       ARG  54  17.765  -1.851  -0.658
  664   2HD   ARG  54          1HD       ARG  54  16.087  -1.986  -0.134
  665    HE   ARG  54           HE       ARG  54  16.067  -2.182  -2.896
  666   1HH1  ARG  54          1HH1      ARG  54  17.468  -4.090  -0.244
  667   2HH1  ARG  54          2HH1      ARG  54  17.331  -5.566  -1.075
  668   1HH2  ARG  54          1HH2      ARG  54  15.887  -4.197  -4.006
  669   2HH2  ARG  54          2HH2      ARG  54  16.413  -5.630  -3.274
  670    QB   ARG  54           QB       ARG  54  17.346   0.329  -2.956
  671    QG   ARG  54           QG       ARG  54  16.058   0.107  -1.064
  672    QD   ARG  54           QD       ARG  54  16.926  -1.919  -0.396
  673    QH1  ARG  54           QH1      ARG  54  17.399  -4.828  -0.659
  674    QH2  ARG  54           QH2      ARG  54  16.150  -4.913  -3.640
  675    H    TYR  55           H        TYR  55  20.495  -1.253  -2.893
  676    HA   TYR  55           HA       TYR  55  22.067   0.643  -4.281
  677   1HB   TYR  55          2HB       TYR  55  22.899  -1.469  -3.202
  678   2HB   TYR  55          1HB       TYR  55  22.076  -2.376  -4.468
  679    HD1  TYR  55          1HD       TYR  55  24.456   0.370  -4.017
  680    HD2  TYR  55          2HD       TYR  55  23.259  -2.927  -6.336
  681    HE1  TYR  55          1HE       TYR  55  26.463   0.686  -5.447
  682    HE2  TYR  55          2HE       TYR  55  25.240  -2.664  -7.798
  683    HH   TYR  55           HH       TYR  55  26.740  -0.836  -8.428
  684    QB   TYR  55           QB       TYR  55  22.487  -1.922  -3.835
  685    QD   TYR  55           QD       TYR  55  23.857  -1.279  -5.176
  686    QE   TYR  55           QE       TYR  55  25.852  -0.989  -6.623
  687    QR   TYR  55           QR       TYR  55  24.854  -1.134  -5.900
  688    H    SER  56           H        SER  56  19.137  -0.812  -4.813
  689    HA   SER  56           HA       SER  56  18.906  -1.583  -7.415
  690   1HB   SER  56          2HB       SER  56  16.886   0.119  -5.978
  691   2HB   SER  56          1HB       SER  56  16.596  -1.168  -7.153
  692    HG   SER  56           HG       SER  56  17.737  -2.534  -5.551
  693    QB   SER  56           QB       SER  56  16.741  -0.525  -6.566
  694    H    LEU  57           H        LEU  57  19.162   1.702  -6.155
  695    HA   LEU  57           HA       LEU  57  18.291   3.067  -8.482
  696   1HB   LEU  57          2HB       LEU  57  20.023   4.020  -6.196
  697   2HB   LEU  57          1HB       LEU  57  19.489   5.062  -7.495
  698    HG   LEU  57           HG       LEU  57  17.106   4.546  -6.747
  699   1HD1  LEU  57          1HD1      LEU  57  18.490   3.474  -4.311
  700   2HD1  LEU  57          3HD1      LEU  57  16.766   3.818  -4.464
  701   3HD1  LEU  57          2HD1      LEU  57  17.502   2.558  -5.449
  702   1HD2  LEU  57          2HD2      LEU  57  18.944   5.987  -4.854
  703   2HD2  LEU  57          1HD2      LEU  57  18.192   6.662  -6.297
  704   3HD2  LEU  57          3HD2      LEU  57  17.191   6.170  -4.931
  705    MD1  LEU  57           QD1      LEU  57  17.586   3.283  -4.741
  706    MD2  LEU  57           QD2      LEU  57  18.109   6.273  -5.361
  707    QB   LEU  57           QB       LEU  57  19.756   4.541  -6.846
  708    QD   LEU  57           QQD      LEU  57  17.848   4.778  -5.051
  709    H    LEU  58           H        LEU  58  21.357   1.708  -7.544
  710    HA   LEU  58           HA       LEU  58  22.724   3.086  -9.710
  711   1HB   LEU  58          2HB       LEU  58  23.756   1.143  -7.632
  712   2HB   LEU  58          1HB       LEU  58  24.747   1.822  -8.899
  713    HG   LEU  58           HG       LEU  58  25.279   3.017  -6.971
  714   1HD1  LEU  58          2HD1      LEU  58  25.028   4.421  -8.899
  715   2HD1  LEU  58          1HD1      LEU  58  23.346   4.734  -8.490
  716   3HD1  LEU  58          3HD1      LEU  58  24.631   5.304  -7.426
  717   1HD2  LEU  58          3HD2      LEU  58  23.413   2.368  -5.544
  718   2HD2  LEU  58          2HD2      LEU  58  23.647   4.116  -5.492
  719   3HD2  LEU  58          1HD2      LEU  58  22.331   3.428  -6.446
  720    MD1  LEU  58           QD1      LEU  58  24.335   4.820  -8.272
  721    MD2  LEU  58           QD2      LEU  58  23.130   3.304  -5.827
  722    QB   LEU  58           QB       LEU  58  24.252   1.483  -8.266
  723    QD   LEU  58           QQD      LEU  58  23.733   4.062  -7.050
  724    H    GLU  59           H        GLU  59  21.054   0.276  -9.103
  725    HA   GLU  59           HA       GLU  59  22.265  -1.214 -11.290
  726   1HB   GLU  59          2HB       GLU  59  19.908  -1.877  -9.508
  727   2HB   GLU  59          1HB       GLU  59  20.634  -2.967 -10.677
  728   1HG   GLU  59          2HG       GLU  59  22.731  -2.905  -9.427
  729   2HG   GLU  59          1HG       GLU  59  21.991  -1.824  -8.250
  730    QB   GLU  59           QB       GLU  59  20.271  -2.422 -10.093
  731    QG   GLU  59           QG       GLU  59  22.361  -2.364  -8.839
  732    H    HIS  60           H        HIS  60  20.107   1.194 -10.877
  733    HA   HIS  60           HA       HIS  60  18.256   0.466 -12.974
  734   1HB   HIS  60          2HB       HIS  60  17.500   1.670 -10.905
  735   2HB   HIS  60          1HB       HIS  60  18.502   3.031 -11.373
  736    HD1  HIS  60          1HD       HIS  60  17.587   4.548 -13.361
  737    HD2  HIS  60          2HD       HIS  60  15.092   1.421 -12.215
  738    HE1  HIS  60          1HE       HIS  60  15.361   5.032 -14.382
  739    QB   HIS  60           QB       HIS  60  18.001   2.351 -11.139
  740    H    HIS  61           H        HIS  61  19.609   0.375 -14.734
  741    HA   HIS  61           HA       HIS  61  21.133   2.732 -15.471
  742   1HB   HIS  61          2HB       HIS  61  22.054   0.418 -15.844
  743   2HB   HIS  61          1HB       HIS  61  20.738   0.110 -16.963
  744    HD1  HIS  61          1HD       HIS  61  21.215   0.671 -19.390
  745    HD2  HIS  61          2HD       HIS  61  23.834   2.544 -16.758
  746    HE1  HIS  61          1HE       HIS  61  22.962   1.792 -20.816
  747    QB   HIS  61           QB       HIS  61  21.396   0.264 -16.404
  748    H    HIS  62           H        HIS  62  20.415   4.181 -16.914
  749    HA   HIS  62           HA       HIS  62  18.272   3.627 -18.746
  750   1HB   HIS  62          2HB       HIS  62  16.963   4.004 -16.689
  751   2HB   HIS  62          1HB       HIS  62  17.790   5.527 -16.426
  752    HD1  HIS  62          1HD       HIS  62  14.817   4.076 -18.074
  753    HD2  HIS  62          2HD       HIS  62  17.060   7.564 -18.373
  754    HE1  HIS  62          1HE       HIS  62  13.371   5.744 -19.271
  755    QB   HIS  62           QB       HIS  62  17.377   4.765 -16.558
  756    H    HIS  63           H        HIS  63  20.056   6.182 -17.057
  757    HA   HIS  63           HA       HIS  63  19.987   7.756 -19.504
  758   1HB   HIS  63          2HB       HIS  63  20.692   9.649 -18.123
  759   2HB   HIS  63          1HB       HIS  63  19.241   8.906 -17.477
  760    HD1  HIS  63          1HD       HIS  63  19.425   7.892 -15.083
  761    HD2  HIS  63          2HD       HIS  63  22.999   9.401 -16.565
  762    HE1  HIS  63          1HE       HIS  63  21.014   7.986 -13.128
  763    QB   HIS  63           QB       HIS  63  19.966   9.277 -17.800
  764    H    HIS  64           H        HIS  64  22.079   9.211 -19.563
  765    HA   HIS  64           HA       HIS  64  24.494   7.714 -19.063
  766   1HB   HIS  64          2HB       HIS  64  23.802   6.989 -21.321
  767   2HB   HIS  64          1HB       HIS  64  23.666   8.653 -21.841
  768    HD1  HIS  64          1HD       HIS  64  25.826   9.733 -22.756
  769    HD2  HIS  64          2HD       HIS  64  26.462   6.086 -20.863
  770    HE1  HIS  64          1HE       HIS  64  28.172   9.061 -23.311
  771    QB   HIS  64           QB       HIS  64  23.734   7.821 -21.581

  No H/Q in entry =         771
  Start of MODEL    8
    1    H1   MET   1          1HT       MET   1   8.218  -6.149   3.561
    2    H2   MET   1          3HT       MET   1   9.433  -7.309   3.625
    3    H3   MET   1          2HT       MET   1   8.936  -6.521   5.026
    4    HA   MET   1           HA       MET   1   9.709  -4.409   4.169
    5   1HB   MET   1          2HB       MET   1  11.237  -5.921   5.500
    6   2HB   MET   1          1HB       MET   1  11.892  -6.490   3.971
    7   1HG   MET   1          2HG       MET   1  13.340  -4.819   4.916
    8   2HG   MET   1          1HG       MET   1  12.591  -4.202   3.444
    9   1HE   MET   1          1HE       MET   1  13.356  -1.740   4.192
   10   2HE   MET   1          3HE       MET   1  12.922  -1.016   5.741
   11   3HE   MET   1          2HE       MET   1  14.038  -2.381   5.688
   12    QB   MET   1           QB       MET   1  11.565  -6.205   4.735
   13    QG   MET   1           QG       MET   1  12.966  -4.511   4.180
   14    ME   MET   1           QE       MET   1  13.439  -1.712   5.207
   15    H    ASN   2           H        ASN   2  10.947  -7.052   2.117
   16    HA   ASN   2           HA       ASN   2  11.704  -5.457  -0.035
   17   1HB   ASN   2          2HB       ASN   2  10.930  -8.382   0.135
   18   2HB   ASN   2          1HB       ASN   2  11.551  -7.641  -1.334
   19   1HD2  ASN   2          1HD2      ASN   2  13.362  -9.003  -1.319
   20   2HD2  ASN   2          2HD2      ASN   2  14.668  -8.776  -0.226
   21    QB   ASN   2           QB       ASN   2  11.240  -8.011  -0.599
   22    QD   ASN   2           QD2      ASN   2  14.015  -8.889  -0.773
   23    H    VAL   3           H        VAL   3  10.768  -4.910  -1.929
   24    HA   VAL   3           HA       VAL   3   8.241  -3.856  -1.560
   25    HB   VAL   3           HB       VAL   3   8.292  -3.105  -3.912
   26   1HG1  VAL   3          2HG1      VAL   3  10.844  -2.703  -2.364
   27   2HG1  VAL   3          1HG1      VAL   3  10.278  -1.683  -3.684
   28   3HG1  VAL   3          3HG1      VAL   3   9.355  -1.780  -2.187
   29   1HG2  VAL   3          3HG2      VAL   3   9.417  -5.037  -4.910
   30   2HG2  VAL   3          2HG2      VAL   3  10.276  -3.535  -5.276
   31   3HG2  VAL   3          1HG2      VAL   3  10.894  -4.628  -4.038
   32    MG1  VAL   3           QG1      VAL   3  10.159  -2.055  -2.745
   33    MG2  VAL   3           QG2      VAL   3  10.196  -4.400  -4.742
   34    QG   VAL   3           QQG      VAL   3  10.177  -3.228  -3.743
   35    H    THR   4           H        THR   4   9.047  -6.876  -3.002
   36    HA   THR   4           HA       THR   4   6.769  -7.320  -4.517
   37    HB   THR   4           HB       THR   4   8.676  -8.851  -4.598
   38    HG1  THR   4          1HG       THR   4   7.145 -10.034  -5.340
   39   1HG2  THR   4          3HG2      THR   4   9.284  -8.860  -2.223
   40   2HG2  THR   4          2HG2      THR   4   7.817  -9.770  -1.856
   41   3HG2  THR   4          1HG2      THR   4   9.092 -10.512  -2.824
   42    MG   THR   4           QG2      THR   4   8.731  -9.714  -2.301
   43    H    LYS   5           H        LYS   5   7.166  -7.644  -1.038
   44    HA   LYS   5           HA       LYS   5   4.530  -8.716  -0.668
   45   1HB   LYS   5          2HB       LYS   5   6.650  -7.831   1.258
   46   2HB   LYS   5          1HB       LYS   5   5.060  -8.364   1.788
   47   1HG   LYS   5          2HG       LYS   5   6.999 -10.009   0.174
   48   2HG   LYS   5          1HG       LYS   5   6.737 -10.152   1.913
   49   1HD   LYS   5          2HD       LYS   5   4.355 -10.694   1.465
   50   2HD   LYS   5          1HD       LYS   5   4.693 -10.647  -0.261
   51   1HE   LYS   5          2HE       LYS   5   6.257 -12.462  -0.055
   52   2HE   LYS   5          1HE       LYS   5   6.048 -12.489   1.696
   53   1HZ   LYS   5          1HZ       LYS   5   3.877 -13.063  -0.273
   54   2HZ   LYS   5          3HZ       LYS   5   4.742 -14.223   0.584
   55   3HZ   LYS   5          2HZ       LYS   5   3.751 -13.138   1.388
   56    QB   LYS   5           QB       LYS   5   5.855  -8.098   1.523
   57    QD   LYS   5           QD       LYS   5   4.524 -10.670   0.602
   58    QG   LYS   5           QG       LYS   5   6.868 -10.080   1.043
   59    QE   LYS   5           QE       LYS   5   6.152 -12.475   0.820
   60    QZ   LYS   5           QZ       LYS   5   4.123 -13.475   0.567
   61    H    LEU   6           H        LEU   6   5.967  -5.614  -0.716
   62    HA   LEU   6           HA       LEU   6   3.834  -4.276   0.633
   63   1HB   LEU   6          2HB       LEU   6   6.197  -3.408   0.407
   64   2HB   LEU   6          1HB       LEU   6   5.864  -3.144  -1.291
   65    HG   LEU   6           HG       LEU   6   4.243  -1.380  -0.748
   66   1HD1  LEU   6          1HD1      LEU   6   4.876  -2.022   2.127
   67   2HD1  LEU   6          3HD1      LEU   6   3.902  -0.673   1.551
   68   3HD1  LEU   6          2HD1      LEU   6   3.341  -2.326   1.312
   69   1HD2  LEU   6          2HD2      LEU   6   6.621  -0.802  -0.915
   70   2HD2  LEU   6          1HD2      LEU   6   5.765   0.225   0.242
   71   3HD2  LEU   6          3HD2      LEU   6   6.801  -1.083   0.814
   72    MD1  LEU   6           QD1      LEU   6   4.039  -1.673   1.663
   73    MD2  LEU   6           QD2      LEU   6   6.396  -0.553   0.047
   74    QB   LEU   6           QB       LEU   6   6.030  -3.276  -0.442
   75    QD   LEU   6           QQD      LEU   6   5.218  -1.113   0.855
   76    H    ASN   7           H        ASN   7   4.836  -4.712  -2.735
   77    HA   ASN   7           HA       ASN   7   2.710  -3.466  -4.017
   78   1HB   ASN   7          2HB       ASN   7   4.524  -5.708  -4.873
   79   2HB   ASN   7          1HB       ASN   7   3.222  -5.176  -5.918
   80   1HD2  ASN   7          1HD2      ASN   7   3.341  -3.120  -6.821
   81   2HD2  ASN   7          2HD2      ASN   7   4.814  -2.238  -6.946
   82    QB   ASN   7           QB       ASN   7   3.873  -5.442  -5.395
   83    QD   ASN   7           QD2      ASN   7   4.078  -2.679  -6.883
   84    H    ASP   8           H        ASP   8   3.068  -6.811  -2.980
   85    HA   ASP   8           HA       ASP   8   0.714  -7.895  -3.981
   86   1HB   ASP   8          2HB       ASP   8   2.365  -9.350  -3.037
   87   2HB   ASP   8          1HB       ASP   8   2.241  -8.562  -1.468
   88    QB   ASP   8           QB       ASP   8   2.303  -8.956  -2.253
   89    H    ARG   9           H        ARG   9   1.205  -6.226  -0.912
   90    HA   ARG   9           HA       ARG   9  -1.475  -6.574  -0.062
   91   1HB   ARG   9          2HB       ARG   9   0.746  -4.810   0.877
   92   2HB   ARG   9          1HB       ARG   9  -0.879  -4.630   1.527
   93   1HG   ARG   9          2HG       ARG   9  -0.868  -6.920   2.291
   94   2HG   ARG   9          1HG       ARG   9   0.712  -7.178   1.552
   95   1HD   ARG   9          2HD       ARG   9   0.220  -5.082   3.643
   96   2HD   ARG   9          1HD       ARG   9   0.700  -6.730   4.042
   97    HE   ARG   9           HE       ARG   9   2.600  -6.251   2.456
   98   1HH1  ARG   9          1HH1      ARG   9   1.173  -3.662   4.455
   99   2HH1  ARG   9          2HH1      ARG   9   2.655  -2.941   4.817
  100   1HH2  ARG   9          1HH2      ARG   9   4.654  -5.216   2.969
  101   2HH2  ARG   9          2HH2      ARG   9   4.673  -3.822   3.937
  102    QB   ARG   9           QB       ARG   9  -0.067  -4.720   1.202
  103    QG   ARG   9           QG       ARG   9  -0.078  -7.049   1.922
  104    QD   ARG   9           QD       ARG   9   0.460  -5.906   3.842
  105    QH1  ARG   9           QH1      ARG   9   1.914  -3.302   4.636
  106    QH2  ARG   9           QH2      ARG   9   4.663  -4.519   3.453
  107    H    ILE  10           H        ILE  10   0.078  -4.112  -1.978
  108    HA   ILE  10           HA       ILE  10  -2.048  -2.227  -1.899
  109    HB   ILE  10           HB       ILE  10  -0.110  -2.709  -4.195
  110   1HG1  ILE  10          2HG1      ILE  10   0.123  -0.805  -1.884
  111   2HG1  ILE  10          1HG1      ILE  10   1.037  -2.306  -2.016
  112   1HG2  ILE  10          3HG2      ILE  10  -2.060  -1.315  -4.762
  113   2HG2  ILE  10          2HG2      ILE  10  -1.684  -0.246  -3.413
  114   3HG2  ILE  10          1HG2      ILE  10  -0.569  -0.369  -4.773
  115   1HD1  ILE  10          1HD1      ILE  10   2.096  -1.422  -4.056
  116   2HD1  ILE  10          3HD1      ILE  10   1.204   0.083  -3.838
  117   3HD1  ILE  10          2HD1      ILE  10   2.406  -0.416  -2.642
  118    MG   ILE  10           QG2      ILE  10  -1.437  -0.643  -4.316
  119    MD   ILE  10           QD1      ILE  10   1.902  -0.585  -3.512
  120    QG   ILE  10           QG1      ILE  10   0.580  -1.555  -1.950
  121    H    GLU  11           H        GLU  11  -1.172  -4.856  -4.033
  122    HA   GLU  11           HA       GLU  11  -3.168  -4.692  -5.963
  123   1HB   GLU  11          2HB       GLU  11  -1.047  -6.172  -5.780
  124   2HB   GLU  11          1HB       GLU  11  -2.082  -7.289  -4.907
  125   1HG   GLU  11          2HG       GLU  11  -2.024  -8.006  -7.149
  126   2HG   GLU  11          1HG       GLU  11  -3.604  -7.259  -6.891
  127    QB   GLU  11           QB       GLU  11  -1.564  -6.730  -5.344
  128    QG   GLU  11           QG       GLU  11  -2.814  -7.633  -7.020
  129    H    ALA  12           H        ALA  12  -3.003  -6.580  -2.986
  130    HA   ALA  12           HA       ALA  12  -5.504  -7.802  -3.052
  131   1HB   ALA  12          1HB       ALA  12  -3.674  -8.466  -1.571
  132   2HB   ALA  12          2HB       ALA  12  -5.183  -8.224  -0.689
  133   3HB   ALA  12          3HB       ALA  12  -3.915  -6.999  -0.625
  134    MB   ALA  12           QB       ALA  12  -4.257  -7.896  -0.962
  135    H    LYS  13           H        LYS  13  -4.560  -4.627  -1.894
  136    HA   LYS  13           HA       LYS  13  -7.015  -4.193  -0.517
  137   1HB   LYS  13          2HB       LYS  13  -4.616  -2.525  -1.061
  138   2HB   LYS  13          1HB       LYS  13  -6.110  -1.697  -0.650
  139   1HG   LYS  13          2HG       LYS  13  -4.962  -3.903   1.054
  140   2HG   LYS  13          1HG       LYS  13  -4.544  -2.201   1.277
  141   1HD   LYS  13          2HD       LYS  13  -6.888  -1.648   1.651
  142   2HD   LYS  13          1HD       LYS  13  -7.359  -3.315   1.353
  143   1HE   LYS  13          2HE       LYS  13  -5.505  -2.483   3.580
  144   2HE   LYS  13          1HE       LYS  13  -7.253  -2.608   3.773
  145   1HZ   LYS  13          3HZ       LYS  13  -7.108  -4.932   3.158
  146   2HZ   LYS  13          2HZ       LYS  13  -5.403  -4.856   3.077
  147   3HZ   LYS  13          1HZ       LYS  13  -6.194  -4.606   4.527
  148    QB   LYS  13           QB       LYS  13  -5.363  -2.111  -0.855
  149    QD   LYS  13           QD       LYS  13  -7.123  -2.481   1.502
  150    QG   LYS  13           QG       LYS  13  -4.753  -3.052   1.166
  151    QE   LYS  13           QE       LYS  13  -6.379  -2.545   3.677
  152    QZ   LYS  13           QZ       LYS  13  -6.235  -4.798   3.587
  153    H    LYS  14           H        LYS  14  -5.877  -3.554  -3.700
  154    HA   LYS  14           HA       LYS  14  -7.830  -1.727  -4.578
  155   1HB   LYS  14          2HB       LYS  14  -6.590  -3.995  -6.124
  156   2HB   LYS  14          1HB       LYS  14  -7.384  -2.591  -6.810
  157   1HG   LYS  14          2HG       LYS  14  -5.627  -1.163  -6.133
  158   2HG   LYS  14          1HG       LYS  14  -4.906  -2.429  -5.122
  159   1HD   LYS  14          2HD       LYS  14  -4.590  -3.784  -7.081
  160   2HD   LYS  14          1HD       LYS  14  -5.211  -2.489  -8.116
  161   1HE   LYS  14          2HE       LYS  14  -3.340  -1.059  -7.298
  162   2HE   LYS  14          1HE       LYS  14  -2.751  -2.437  -6.369
  163   1HZ   LYS  14          2HZ       LYS  14  -2.622  -3.682  -8.464
  164   2HZ   LYS  14          1HZ       LYS  14  -2.991  -2.297  -9.316
  165   3HZ   LYS  14          3HZ       LYS  14  -1.555  -2.363  -8.431
  166    QB   LYS  14           QB       LYS  14  -6.987  -3.293  -6.467
  167    QD   LYS  14           QD       LYS  14  -4.900  -3.137  -7.598
  168    QG   LYS  14           QG       LYS  14  -5.267  -1.796  -5.627
  169    QE   LYS  14           QE       LYS  14  -3.045  -1.748  -6.833
  170    QZ   LYS  14           QZ       LYS  14  -2.389  -2.781  -8.737
  171    H    LYS  15           H        LYS  15  -7.686  -5.247  -4.675
  172    HA   LYS  15           HA       LYS  15 -10.236  -5.601  -5.914
  173   1HB   LYS  15          2HB       LYS  15  -8.669  -7.663  -4.365
  174   2HB   LYS  15          1HB       LYS  15  -9.861  -7.955  -5.621
  175   1HG   LYS  15          2HG       LYS  15  -7.162  -6.667  -6.009
  176   2HG   LYS  15          1HG       LYS  15  -7.598  -8.321  -6.419
  177   1HD   LYS  15          2HD       LYS  15  -9.183  -7.512  -8.084
  178   2HD   LYS  15          1HD       LYS  15  -8.857  -5.841  -7.615
  179   1HE   LYS  15          2HE       LYS  15  -6.543  -6.072  -8.330
  180   2HE   LYS  15          1HE       LYS  15  -6.819  -7.763  -8.736
  181   1HZ   LYS  15          3HZ       LYS  15  -8.124  -5.435 -10.045
  182   2HZ   LYS  15          2HZ       LYS  15  -6.870  -6.344 -10.700
  183   3HZ   LYS  15          1HZ       LYS  15  -8.380  -7.057 -10.440
  184    QB   LYS  15           QB       LYS  15  -9.265  -7.809  -4.993
  185    QD   LYS  15           QD       LYS  15  -9.020  -6.676  -7.850
  186    QG   LYS  15           QG       LYS  15  -7.380  -7.494  -6.214
  187    QE   LYS  15           QE       LYS  15  -6.681  -6.917  -8.533
  188    QZ   LYS  15           QZ       LYS  15  -7.791  -6.279 -10.395
  189    H    GLU  16           H        GLU  16  -9.143  -5.293  -2.705
  190    HA   GLU  16           HA       GLU  16 -11.377  -6.578  -1.429
  191   1HB   GLU  16          2HB       GLU  16  -9.116  -6.587  -0.461
  192   2HB   GLU  16          1HB       GLU  16  -9.179  -4.841  -0.323
  193   1HG   GLU  16          2HG       GLU  16 -10.834  -4.956   1.357
  194   2HG   GLU  16          1HG       GLU  16 -11.079  -6.686   1.081
  195    QB   GLU  16           QB       GLU  16  -9.148  -5.714  -0.392
  196    QG   GLU  16           QG       GLU  16 -10.956  -5.821   1.219
  197    H    LEU  17           H        LEU  17 -10.250  -3.349  -2.145
  198    HA   LEU  17           HA       LEU  17 -12.277  -1.931  -0.897
  199   1HB   LEU  17          2HB       LEU  17 -10.367  -1.438  -3.068
  200   2HB   LEU  17          1HB       LEU  17 -11.715  -0.337  -2.964
  201    HG   LEU  17           HG       LEU  17  -9.682  -0.905  -0.786
  202   1HD1  LEU  17          2HD1      LEU  17  -8.799   0.390  -2.664
  203   2HD1  LEU  17          1HD1      LEU  17 -10.119   1.545  -2.473
  204   3HD1  LEU  17          3HD1      LEU  17  -8.925   1.354  -1.189
  205   1HD2  LEU  17          2HD2      LEU  17 -12.048   0.949  -0.883
  206   2HD2  LEU  17          1HD2      LEU  17 -11.814  -0.376   0.235
  207   3HD2  LEU  17          3HD2      LEU  17 -10.777   1.054   0.332
  208    MD1  LEU  17           QD1      LEU  17  -9.281   1.096  -2.109
  209    MD2  LEU  17           QD2      LEU  17 -11.546   0.542  -0.105
  210    QB   LEU  17           QB       LEU  17 -11.041  -0.888  -3.016
  211    QD   LEU  17           QQD      LEU  17 -10.414   0.819  -1.107
  212    H    ILE  18           H        ILE  18 -12.095  -3.378  -4.082
  213    HA   ILE  18           HA       ILE  18 -14.501  -2.425  -5.100
  214    HB   ILE  18           HB       ILE  18 -13.185  -5.119  -5.589
  215   1HG1  ILE  18          2HG1      ILE  18 -13.049  -2.528  -7.148
  216   2HG1  ILE  18          1HG1      ILE  18 -11.786  -3.144  -6.094
  217   1HG2  ILE  18          2HG2      ILE  18 -15.318  -3.700  -7.207
  218   2HG2  ILE  18          1HG2      ILE  18 -14.480  -5.173  -7.694
  219   3HG2  ILE  18          3HG2      ILE  18 -15.535  -5.181  -6.279
  220   1HD1  ILE  18          1HD1      ILE  18 -12.788  -4.441  -8.621
  221   2HD1  ILE  18          3HD1      ILE  18 -11.284  -3.546  -8.431
  222   3HD1  ILE  18          2HD1      ILE  18 -11.511  -5.075  -7.581
  223    MG   ILE  18           QG2      ILE  18 -15.111  -4.685  -7.060
  224    MD   ILE  18           QD1      ILE  18 -11.861  -4.354  -8.211
  225    QG   ILE  18           QG1      ILE  18 -12.418  -2.836  -6.621
  226    H    TYR  19           H        TYR  19 -13.864  -5.301  -3.145
  227    HA   TYR  19           HA       TYR  19 -16.507  -6.249  -2.955
  228   1HB   TYR  19          2HB       TYR  19 -14.710  -7.682  -2.209
  229   2HB   TYR  19          1HB       TYR  19 -14.184  -6.503  -1.015
  230    HD1  TYR  19          1HD       TYR  19 -16.917  -8.876  -1.868
  231    HD2  TYR  19          2HD       TYR  19 -15.154  -6.473   1.171
  232    HE1  TYR  19          1HE       TYR  19 -18.371  -9.929  -0.179
  233    HE2  TYR  19          2HE       TYR  19 -16.601  -7.525   2.855
  234    HH   TYR  19           HH       TYR  19 -18.338 -10.326   2.240
  235    QB   TYR  19           QB       TYR  19 -14.447  -7.092  -1.612
  236    QD   TYR  19           QD       TYR  19 -16.035  -7.674  -0.349
  237    QE   TYR  19           QE       TYR  19 -17.486  -8.727   1.338
  238    QR   TYR  19           QR       TYR  19 -16.761  -8.201   0.495
  239    H    LEU  20           H        LEU  20 -14.737  -4.034  -0.850
  240    HA   LEU  20           HA       LEU  20 -16.819  -3.645   0.995
  241   1HB   LEU  20          2HB       LEU  20 -14.535  -1.797   0.314
  242   2HB   LEU  20          1HB       LEU  20 -15.546  -1.723   1.745
  243    HG   LEU  20           HG       LEU  20 -13.729  -4.036   1.078
  244   1HD1  LEU  20          2HD1      LEU  20 -13.361  -1.767   3.011
  245   2HD1  LEU  20          1HD1      LEU  20 -12.315  -3.180   2.864
  246   3HD1  LEU  20          3HD1      LEU  20 -12.447  -2.041   1.526
  247   1HD2  LEU  20          3HD2      LEU  20 -15.264  -3.353   3.587
  248   2HD2  LEU  20          2HD2      LEU  20 -15.643  -4.666   2.473
  249   3HD2  LEU  20          1HD2      LEU  20 -14.143  -4.702   3.397
  250    MD1  LEU  20           QD1      LEU  20 -12.708  -2.329   2.467
  251    MD2  LEU  20           QD2      LEU  20 -15.017  -4.240   3.152
  252    QB   LEU  20           QB       LEU  20 -15.041  -1.760   1.029
  253    QD   LEU  20           QQD      LEU  20 -13.862  -3.285   2.809
  254    H    VAL  21           H        VAL  21 -15.875  -1.811  -1.882
  255    HA   VAL  21           HA       VAL  21 -17.819   0.187  -1.703
  256    HB   VAL  21           HB       VAL  21 -16.485  -1.011  -4.158
  257   1HG1  VAL  21          1HG1      VAL  21 -18.187   1.481  -3.978
  258   2HG1  VAL  21          3HG1      VAL  21 -17.265   0.962  -5.387
  259   3HG1  VAL  21          2HG1      VAL  21 -18.621  -0.009  -4.815
  260   1HG2  VAL  21          3HG2      VAL  21 -16.023   1.566  -2.654
  261   2HG2  VAL  21          2HG2      VAL  21 -14.980   0.143  -2.642
  262   3HG2  VAL  21          1HG2      VAL  21 -15.183   1.070  -4.125
  263    MG1  VAL  21           QG1      VAL  21 -18.024   0.811  -4.727
  264    MG2  VAL  21           QG2      VAL  21 -15.395   0.926  -3.140
  265    QG   VAL  21           QQG      VAL  21 -16.710   0.869  -3.934
  266    H    GLU  22           H        GLU  22 -17.984  -3.007  -3.244
  267    HA   GLU  22           HA       GLU  22 -20.600  -2.573  -4.199
  268   1HB   GLU  22          2HB       GLU  22 -19.195  -5.206  -3.746
  269   2HB   GLU  22          1HB       GLU  22 -20.691  -5.007  -4.644
  270   1HG   GLU  22          2HG       GLU  22 -19.362  -3.377  -6.119
  271   2HG   GLU  22          1HG       GLU  22 -17.937  -4.063  -5.355
  272    QB   GLU  22           QB       GLU  22 -19.943  -5.106  -4.195
  273    QG   GLU  22           QG       GLU  22 -18.649  -3.720  -5.737
  274    H    LYS  23           H        LYS  23 -19.400  -3.756  -1.185
  275    HA   LYS  23           HA       LYS  23 -21.997  -4.626  -0.291
  276   1HB   LYS  23          2HB       LYS  23 -19.386  -4.392   1.177
  277   2HB   LYS  23          1HB       LYS  23 -20.859  -4.980   1.920
  278   1HG   LYS  23          2HG       LYS  23 -19.497  -6.236  -0.461
  279   2HG   LYS  23          1HG       LYS  23 -19.323  -6.779   1.205
  280   1HD   LYS  23          2HD       LYS  23 -21.932  -6.693  -0.331
  281   2HD   LYS  23          1HD       LYS  23 -20.939  -8.126  -0.102
  282   1HE   LYS  23          2HE       LYS  23 -22.229  -6.519   2.121
  283   2HE   LYS  23          1HE       LYS  23 -22.827  -8.041   1.471
  284   1HZ   LYS  23          3HZ       LYS  23 -20.207  -7.683   2.842
  285   2HZ   LYS  23          2HZ       LYS  23 -21.581  -8.365   3.512
  286   3HZ   LYS  23          1HZ       LYS  23 -20.812  -9.125   2.219
  287    QB   LYS  23           QB       LYS  23 -20.123  -4.686   1.549
  288    QD   LYS  23           QD       LYS  23 -21.436  -7.409  -0.216
  289    QG   LYS  23           QG       LYS  23 -19.410  -6.507   0.372
  290    QE   LYS  23           QE       LYS  23 -22.528  -7.280   1.796
  291    QZ   LYS  23           QZ       LYS  23 -20.866  -8.391   2.858
  292    H    TYR  24           H        TYR  24 -19.913  -1.862   0.510
  293    HA   TYR  24           HA       TYR  24 -22.112  -0.875   2.208
  294   1HB   TYR  24          2HB       TYR  24 -19.221  -0.018   2.222
  295   2HB   TYR  24          1HB       TYR  24 -20.472   0.469   3.353
  296    HD1  TYR  24          1HD       TYR  24 -21.386  -1.210   4.970
  297    HD2  TYR  24          2HD       TYR  24 -18.042  -2.032   2.483
  298    HE1  TYR  24          1HE       TYR  24 -20.762  -3.090   6.431
  299    HE2  TYR  24          2HE       TYR  24 -17.414  -3.904   3.929
  300    HH   TYR  24           HH       TYR  24 -17.725  -4.723   6.078
  301    QB   TYR  24           QB       TYR  24 -19.846   0.225   2.788
  302    QD   TYR  24           QD       TYR  24 -19.714  -1.621   3.726
  303    QE   TYR  24           QE       TYR  24 -19.088  -3.497   5.180
  304    QR   TYR  24           QR       TYR  24 -19.401  -2.559   4.453
  305    H    GLY  25           H        GLY  25 -19.951   0.001  -0.399
  306   1HA   GLY  25          1HA       GLY  25 -21.443   2.522  -0.687
  307   2HA   GLY  25          2HA       GLY  25 -20.786   1.597  -2.035
  308    QA   GLY  25           QA       GLY  25 -21.115   2.059  -1.361
  309    H    PHE  26           H        PHE  26 -20.231   4.320  -1.538
  310    HA   PHE  26           HA       PHE  26 -17.313   4.158  -1.216
  311   1HB   PHE  26          2HB       PHE  26 -19.033   6.244  -2.559
  312   2HB   PHE  26          1HB       PHE  26 -17.292   6.344  -2.380
  313    HD1  PHE  26          1HD       PHE  26 -15.853   4.702  -3.590
  314    HD2  PHE  26          2HD       PHE  26 -20.035   5.039  -4.309
  315    HE1  PHE  26          1HE       PHE  26 -15.563   3.588  -5.763
  316    HE2  PHE  26          2HE       PHE  26 -19.755   3.916  -6.477
  317    HZ   PHE  26           HZ       PHE  26 -17.515   3.198  -7.212
  318    QB   PHE  26           QB       PHE  26 -18.163   6.294  -2.469
  319    QD   PHE  26           QD       PHE  26 -17.944   4.870  -3.950
  320    QE   PHE  26           QE       PHE  26 -17.659   3.752  -6.120
  321    QR   PHE  26           QR       PHE  26 -17.744   4.088  -5.470
  322    H    THR  27           H        THR  27 -20.107   5.334   0.364
  323    HA   THR  27           HA       THR  27 -18.895   7.687   1.489
  324    HB   THR  27           HB       THR  27 -21.487   6.359   2.319
  325    HG1  THR  27          1HG       THR  27 -22.424   7.243   0.596
  326   1HG2  THR  27          1HG2      THR  27 -20.692   8.231   3.729
  327   2HG2  THR  27          3HG2      THR  27 -20.594   9.256   2.294
  328   3HG2  THR  27          2HG2      THR  27 -22.158   8.659   2.849
  329    MG   THR  27           QG2      THR  27 -21.148   8.715   2.957
  330    H    HIS  28           H        HIS  28 -19.080   4.399   2.233
  331    HA   HIS  28           HA       HIS  28 -19.022   4.362   5.017
  332   1HB   HIS  28          2HB       HIS  28 -19.441   2.394   3.575
  333   2HB   HIS  28          1HB       HIS  28 -17.745   2.390   3.118
  334    HD1  HIS  28          1HD       HIS  28 -20.048   1.479   5.950
  335    HD2  HIS  28          2HD       HIS  28 -16.006   1.381   5.029
  336    HE1  HIS  28          1HE       HIS  28 -18.958  -0.006   7.674
  337    QB   HIS  28           QB       HIS  28 -18.593   2.392   3.346
  338    H    HIS  29           H        HIS  29 -17.627   4.932   6.416
  339    HA   HIS  29           HA       HIS  29 -15.406   6.485   5.897
  340   1HB   HIS  29          2HB       HIS  29 -15.982   4.988   8.449
  341   2HB   HIS  29          1HB       HIS  29 -14.934   6.390   8.298
  342    HD1  HIS  29          1HD       HIS  29 -16.157   8.733   8.017
  343    HD2  HIS  29          2HD       HIS  29 -18.680   5.481   8.508
  344    HE1  HIS  29          1HE       HIS  29 -18.437   9.686   8.488
  345    QB   HIS  29           QB       HIS  29 -15.458   5.689   8.374
  346    H    LYS  30           H        LYS  30 -15.445   3.044   6.802
  347    HA   LYS  30           HA       LYS  30 -12.638   2.797   6.980
  348   1HB   LYS  30          2HB       LYS  30 -14.669   0.634   6.364
  349   2HB   LYS  30          1HB       LYS  30 -12.977   0.352   6.727
  350   1HG   LYS  30          2HG       LYS  30 -13.300   1.283   8.964
  351   2HG   LYS  30          1HG       LYS  30 -15.003   1.574   8.584
  352   1HD   LYS  30          2HD       LYS  30 -15.357  -0.817   8.252
  353   2HD   LYS  30          1HD       LYS  30 -13.653  -1.130   8.575
  354   1HE   LYS  30          2HE       LYS  30 -15.620   0.059  10.536
  355   2HE   LYS  30          1HE       LYS  30 -15.078  -1.615  10.518
  356   1HZ   LYS  30          3HZ       LYS  30 -12.824  -0.852  10.954
  357   2HZ   LYS  30          2HZ       LYS  30 -13.342   0.756  10.968
  358   3HZ   LYS  30          1HZ       LYS  30 -13.881  -0.305  12.139
  359    QB   LYS  30           QB       LYS  30 -13.823   0.493   6.546
  360    QD   LYS  30           QD       LYS  30 -14.505  -0.974   8.413
  361    QG   LYS  30           QG       LYS  30 -14.152   1.428   8.774
  362    QE   LYS  30           QE       LYS  30 -15.349  -0.778  10.527
  363    QZ   LYS  30           QZ       LYS  30 -13.349  -0.134  11.354
  364    H    VAL  31           H        VAL  31 -14.852   2.524   4.270
  365    HA   VAL  31           HA       VAL  31 -13.059   1.393   2.403
  366    HB   VAL  31           HB       VAL  31 -15.484   3.180   1.938
  367   1HG1  VAL  31          3HG1      VAL  31 -13.978   3.217  -0.013
  368   2HG1  VAL  31          2HG1      VAL  31 -13.997   1.454  -0.048
  369   3HG1  VAL  31          1HG1      VAL  31 -15.476   2.355  -0.370
  370   1HG2  VAL  31          2HG2      VAL  31 -15.995   1.066   3.046
  371   2HG2  VAL  31          1HG2      VAL  31 -16.622   1.072   1.394
  372   3HG2  VAL  31          3HG2      VAL  31 -15.136   0.205   1.776
  373    MG1  VAL  31           QG1      VAL  31 -14.484   2.342  -0.144
  374    MG2  VAL  31           QG2      VAL  31 -15.917   0.781   2.072
  375    QG   VAL  31           QQG      VAL  31 -15.201   1.562   0.964
  376    H    ILE  32           H        ILE  32 -13.941   4.712   3.161
  377    HA   ILE  32           HA       ILE  32 -12.231   6.005   1.349
  378    HB   ILE  32           HB       ILE  32 -13.055   6.978   4.109
  379   1HG1  ILE  32          2HG1      ILE  32 -14.442   7.400   1.446
  380   2HG1  ILE  32          1HG1      ILE  32 -14.993   6.302   2.703
  381   1HG2  ILE  32          3HG2      ILE  32 -12.178   8.507   1.647
  382   2HG2  ILE  32          2HG2      ILE  32 -12.738   9.230   3.154
  383   3HG2  ILE  32          1HG2      ILE  32 -11.240   8.297   3.129
  384   1HD1  ILE  32          3HD1      ILE  32 -14.781   9.299   2.934
  385   2HD1  ILE  32          2HD1      ILE  32 -16.264   8.371   2.704
  386   3HD1  ILE  32          1HD1      ILE  32 -15.344   8.210   4.201
  387    MG   ILE  32           QG2      ILE  32 -12.052   8.678   2.643
  388    MD   ILE  32           QD1      ILE  32 -15.463   8.626   3.280
  389    QG   ILE  32           QG1      ILE  32 -14.717   6.851   2.075
  390    H    SER  33           H        SER  33 -11.763   5.009   4.694
  391    HA   SER  33           HA       SER  33  -9.155   5.928   5.059
  392   1HB   SER  33          2HB       SER  33 -10.535   3.570   6.352
  393   2HB   SER  33          1HB       SER  33  -9.094   4.375   6.972
  394    HG   SER  33           HG       SER  33 -11.689   5.516   6.625
  395    QB   SER  33           QB       SER  33  -9.814   3.972   6.662
  396    H    PHE  34           H        PHE  34 -10.283   2.781   3.795
  397    HA   PHE  34           HA       PHE  34  -7.639   1.753   3.549
  398   1HB   PHE  34          2HB       PHE  34 -10.192   0.802   2.244
  399   2HB   PHE  34          1HB       PHE  34  -8.654  -0.047   2.143
  400    HD1  PHE  34          1HD       PHE  34  -7.637  -0.078   4.828
  401    HD2  PHE  34          2HD       PHE  34 -11.656  -0.358   3.489
  402    HE1  PHE  34          1HE       PHE  34  -8.235  -1.316   6.873
  403    HE2  PHE  34          2HE       PHE  34 -12.268  -1.573   5.505
  404    HZ   PHE  34           HZ       PHE  34 -10.552  -2.066   7.222
  405    QB   PHE  34           QB       PHE  34  -9.423   0.377   2.194
  406    QD   PHE  34           QD       PHE  34  -9.647  -0.218   4.159
  407    QE   PHE  34           QE       PHE  34 -10.251  -1.444   6.189
  408    QR   PHE  34           QR       PHE  34 -10.069  -1.078   5.583
  409    H    SER  35           H        SER  35  -9.725   3.592   1.448
  410    HA   SER  35           HA       SER  35  -8.235   3.261  -0.927
  411   1HB   SER  35          2HB       SER  35  -9.860   5.670  -0.033
  412   2HB   SER  35          1HB       SER  35  -9.363   5.324  -1.690
  413    HG   SER  35           HG       SER  35 -11.076   3.697  -0.088
  414    QB   SER  35           QB       SER  35  -9.611   5.497  -0.861
  415    H    GLN  36           H        GLN  36  -8.011   5.474   1.758
  416    HA   GLN  36           HA       GLN  36  -5.832   7.036   0.830
  417   1HB   GLN  36          2HB       GLN  36  -6.782   6.487   3.648
  418   2HB   GLN  36          1HB       GLN  36  -5.688   7.781   3.171
  419   1HG   GLN  36          2HG       GLN  36  -7.401   8.887   1.950
  420   2HG   GLN  36          1HG       GLN  36  -8.485   7.508   2.116
  421   1HE2  GLN  36          1HE2      GLN  36  -8.916  10.225   2.844
  422   2HE2  GLN  36          2HE2      GLN  36  -9.285  10.262   4.527
  423    QB   GLN  36           QB       GLN  36  -6.235   7.134   3.410
  424    QG   GLN  36           QG       GLN  36  -7.943   8.197   2.033
  425    QE   GLN  36           QE2      GLN  36  -9.100  10.243   3.685
  426    H    GLU  37           H        GLU  37  -6.133   4.064   2.669
  427    HA   GLU  37           HA       GLU  37  -3.473   3.749   3.533
  428   1HB   GLU  37          2HB       GLU  37  -5.443   2.473   4.384
  429   2HB   GLU  37          1HB       GLU  37  -5.520   1.635   2.843
  430   1HG   GLU  37          2HG       GLU  37  -4.476   0.183   4.366
  431   2HG   GLU  37          1HG       GLU  37  -3.215   0.798   3.290
  432    QB   GLU  37           QB       GLU  37  -5.481   2.054   3.614
  433    QG   GLU  37           QG       GLU  37  -3.846   0.491   3.828
  434    H    LEU  38           H        LEU  38  -5.242   2.462   0.748
  435    HA   LEU  38           HA       LEU  38  -3.191   1.064  -0.540
  436   1HB   LEU  38          2HB       LEU  38  -5.678   0.980  -0.997
  437   2HB   LEU  38          1HB       LEU  38  -5.538   2.516  -1.795
  438    HG   LEU  38           HG       LEU  38  -4.204  -0.030  -2.785
  439   1HD1  LEU  38          3HD1      LEU  38  -6.785   1.260  -3.620
  440   2HD1  LEU  38          2HD1      LEU  38  -6.002  -0.091  -4.433
  441   3HD1  LEU  38          1HD1      LEU  38  -6.601  -0.281  -2.787
  442   1HD2  LEU  38          1HD2      LEU  38  -3.159   2.047  -3.632
  443   2HD2  LEU  38          3HD2      LEU  38  -4.005   1.175  -4.910
  444   3HD2  LEU  38          2HD2      LEU  38  -4.740   2.604  -4.187
  445    MD1  LEU  38           QD1      LEU  38  -6.463   0.296  -3.613
  446    MD2  LEU  38           QD2      LEU  38  -3.968   1.942  -4.243
  447    QB   LEU  38           QB       LEU  38  -5.608   1.748  -1.396
  448    QD   LEU  38           QQD      LEU  38  -5.215   1.119  -3.928
  449    H    ASP  39           H        ASP  39  -4.307   4.381  -0.915
  450    HA   ASP  39           HA       ASP  39  -2.538   5.243  -2.908
  451   1HB   ASP  39          2HB       ASP  39  -4.461   6.579  -2.297
  452   2HB   ASP  39          1HB       ASP  39  -3.843   6.790  -0.663
  453    QB   ASP  39           QB       ASP  39  -4.152   6.684  -1.480
  454    H    ARG  40           H        ARG  40  -2.241   5.207   0.581
  455    HA   ARG  40           HA       ARG  40   0.268   6.484   0.682
  456   1HB   ARG  40          2HB       ARG  40  -1.257   6.413   2.607
  457   2HB   ARG  40          1HB       ARG  40  -1.062   4.672   2.708
  458   1HG   ARG  40          2HG       ARG  40   0.263   5.773   4.402
  459   2HG   ARG  40          1HG       ARG  40   1.313   4.982   3.225
  460   1HD   ARG  40          2HD       ARG  40   1.635   7.153   2.097
  461   2HD   ARG  40          1HD       ARG  40   0.643   7.921   3.343
  462    HE   ARG  40           HE       ARG  40   2.526   6.625   4.752
  463   1HH1  ARG  40          1HH1      ARG  40   2.689   9.070   2.188
  464   2HH1  ARG  40          2HH1      ARG  40   4.246   9.589   2.613
  465   1HH2  ARG  40          1HH2      ARG  40   4.633   7.353   5.324
  466   2HH2  ARG  40          2HH2      ARG  40   5.394   8.586   4.419
  467    QB   ARG  40           QB       ARG  40  -1.159   5.543   2.657
  468    QG   ARG  40           QG       ARG  40   0.788   5.378   3.814
  469    QD   ARG  40           QD       ARG  40   1.139   7.537   2.720
  470    QH1  ARG  40           QH1      ARG  40   3.467   9.329   2.400
  471    QH2  ARG  40           QH2      ARG  40   5.014   7.969   4.871
  472    H    LEU  41           H        LEU  41  -0.726   3.086   0.581
  473    HA   LEU  41           HA       LEU  41   1.818   1.925   0.918
  474   1HB   LEU  41          2HB       LEU  41  -0.566   0.892  -0.641
  475   2HB   LEU  41          1HB       LEU  41   0.885  -0.026  -0.288
  476    HG   LEU  41           HG       LEU  41  -0.967   1.032   1.846
  477   1HD1  LEU  41          2HD1      LEU  41  -2.123  -0.594   0.413
  478   2HD1  LEU  41          1HD1      LEU  41  -0.790  -1.727   0.629
  479   3HD1  LEU  41          3HD1      LEU  41  -1.786  -1.268   2.009
  480   1HD2  LEU  41          2HD2      LEU  41   1.341   0.605   2.573
  481   2HD2  LEU  41          1HD2      LEU  41   0.222  -0.566   3.262
  482   3HD2  LEU  41          3HD2      LEU  41   1.244  -1.026   1.903
  483    MD1  LEU  41           QD1      LEU  41  -1.566  -1.196   1.017
  484    MD2  LEU  41           QD2      LEU  41   0.936  -0.329   2.579
  485    QB   LEU  41           QB       LEU  41   0.160   0.433  -0.464
  486    QD   LEU  41           QQD      LEU  41  -0.315  -0.763   1.798
  487    H    LEU  42           H        LEU  42   0.084   2.928  -1.986
  488    HA   LEU  42           HA       LEU  42   2.034   2.256  -3.900
  489   1HB   LEU  42          2HB       LEU  42  -0.227   2.949  -4.516
  490   2HB   LEU  42          1HB       LEU  42   0.065   4.545  -3.863
  491    HG   LEU  42           HG       LEU  42   1.862   4.817  -5.602
  492   1HD1  LEU  42          3HD1      LEU  42   0.623   2.339  -6.769
  493   2HD1  LEU  42          2HD1      LEU  42   1.764   3.401  -7.585
  494   3HD1  LEU  42          1HD1      LEU  42   2.266   2.508  -6.149
  495   1HD2  LEU  42          2HD2      LEU  42  -0.972   4.423  -6.533
  496   2HD2  LEU  42          1HD2      LEU  42  -0.280   5.885  -5.822
  497   3HD2  LEU  42          3HD2      LEU  42   0.276   5.329  -7.399
  498    MD1  LEU  42           QD1      LEU  42   1.551   2.750  -6.834
  499    MD2  LEU  42           QD2      LEU  42  -0.325   5.212  -6.584
  500    QB   LEU  42           QB       LEU  42  -0.081   3.747  -4.189
  501    QD   LEU  42           QQD      LEU  42   0.613   3.981  -6.709
  502    H    ASN  43           H        ASN  43   1.508   5.184  -2.002
  503    HA   ASN  43           HA       ASN  43   3.599   6.678  -3.078
  504   1HB   ASN  43          2HB       ASN  43   1.694   7.634  -1.811
  505   2HB   ASN  43          1HB       ASN  43   2.367   6.947  -0.336
  506   1HD2  ASN  43          1HD2      ASN  43   2.848   9.238  -2.869
  507   2HD2  ASN  43          2HD2      ASN  43   3.985  10.249  -2.047
  508    QB   ASN  43           QB       ASN  43   2.031   7.290  -1.074
  509    QD   ASN  43           QD2      ASN  43   3.416   9.744  -2.458
  510    H    LEU  44           H        LEU  44   3.593   4.223  -0.630
  511    HA   LEU  44           HA       LEU  44   6.118   4.778   0.496
  512   1HB   LEU  44          2HB       LEU  44   4.640   2.183   0.166
  513   2HB   LEU  44          1HB       LEU  44   6.081   2.300   1.134
  514    HG   LEU  44           HG       LEU  44   3.404   3.602   1.638
  515   1HD1  LEU  44          3HD1      LEU  44   4.943   1.522   3.172
  516   2HD1  LEU  44          2HD1      LEU  44   3.420   2.255   3.673
  517   3HD1  LEU  44          1HD1      LEU  44   3.486   1.267   2.212
  518   1HD2  LEU  44          3HD2      LEU  44   5.970   3.931   3.202
  519   2HD2  LEU  44          2HD2      LEU  44   5.112   5.185   2.302
  520   3HD2  LEU  44          1HD2      LEU  44   4.376   4.473   3.729
  521    MD1  LEU  44           QD1      LEU  44   3.950   1.682   3.019
  522    MD2  LEU  44           QD2      LEU  44   5.153   4.530   3.078
  523    QB   LEU  44           QB       LEU  44   5.361   2.242   0.650
  524    QD   LEU  44           QQD      LEU  44   4.551   3.106   3.049
  525    H    LEU  45           H        LEU  45   5.148   2.929  -2.330
  526    HA   LEU  45           HA       LEU  45   7.729   1.955  -3.046
  527   1HB   LEU  45          2HB       LEU  45   5.372   2.590  -4.821
  528   2HB   LEU  45          1HB       LEU  45   6.774   1.665  -5.296
  529    HG   LEU  45           HG       LEU  45   4.766   0.816  -3.206
  530   1HD1  LEU  45          3HD1      LEU  45   5.186  -0.061  -6.055
  531   2HD1  LEU  45          2HD1      LEU  45   4.065  -0.795  -4.910
  532   3HD1  LEU  45          1HD1      LEU  45   3.816   0.865  -5.446
  533   1HD2  LEU  45          2HD2      LEU  45   7.038  -0.091  -2.850
  534   2HD2  LEU  45          1HD2      LEU  45   5.885  -1.337  -3.328
  535   3HD2  LEU  45          3HD2      LEU  45   7.027  -0.698  -4.506
  536    MD1  LEU  45           QD1      LEU  45   4.356   0.003  -5.470
  537    MD2  LEU  45           QD2      LEU  45   6.650  -0.709  -3.561
  538    QB   LEU  45           QB       LEU  45   6.073   2.128  -5.058
  539    QD   LEU  45           QQD      LEU  45   5.503  -0.353  -4.516
  540    H    ILE  46           H        ILE  46   5.862   4.801  -3.809
  541    HA   ILE  46           HA       ILE  46   7.614   5.973  -5.669
  542    HB   ILE  46           HB       ILE  46   5.616   7.313  -3.813
  543   1HG1  ILE  46          2HG1      ILE  46   5.322   6.422  -6.695
  544   2HG1  ILE  46          1HG1      ILE  46   4.620   5.611  -5.304
  545   1HG2  ILE  46          2HG2      ILE  46   6.942   8.369  -6.318
  546   2HG2  ILE  46          1HG2      ILE  46   5.656   9.177  -5.422
  547   3HG2  ILE  46          3HG2      ILE  46   7.231   8.925  -4.669
  548   1HD1  ILE  46          2HD1      ILE  46   3.258   7.593  -4.856
  549   2HD1  ILE  46          1HD1      ILE  46   3.959   8.382  -6.268
  550   3HD1  ILE  46          3HD1      ILE  46   2.966   6.936  -6.467
  551    MG   ILE  46           QG2      ILE  46   6.610   8.824  -5.469
  552    MD   ILE  46           QD1      ILE  46   3.394   7.637  -5.864
  553    QG   ILE  46           QG1      ILE  46   4.971   6.016  -6.000
  554    H    GLU  47           H        GLU  47   7.237   6.456  -2.169
  555    HA   GLU  47           HA       GLU  47   9.262   8.332  -1.957
  556   1HB   GLU  47          2HB       GLU  47   7.959   6.604   0.096
  557   2HB   GLU  47          1HB       GLU  47   9.295   7.672   0.519
  558   1HG   GLU  47          2HG       GLU  47   6.669   8.475  -0.697
  559   2HG   GLU  47          1HG       GLU  47   7.212   8.782   0.957
  560    QB   GLU  47           QB       GLU  47   8.627   7.138   0.307
  561    QG   GLU  47           QG       GLU  47   6.941   8.629   0.130
  562    H    LEU  48           H        LEU  48   9.510   4.853  -1.864
  563    HA   LEU  48           HA       LEU  48  12.145   4.721  -0.938
  564   1HB   LEU  48          2HB       LEU  48  10.759   2.990  -2.937
  565   2HB   LEU  48          1HB       LEU  48  12.320   2.635  -2.222
  566    HG   LEU  48           HG       LEU  48   9.647   2.736  -0.845
  567   1HD1  LEU  48          3HD1      LEU  48  11.770   0.743  -1.203
  568   2HD1  LEU  48          2HD1      LEU  48  10.279   0.466  -0.264
  569   3HD1  LEU  48          1HD1      LEU  48  10.210   0.740  -2.032
  570   1HD2  LEU  48          3HD2      LEU  48  12.390   2.511   0.421
  571   2HD2  LEU  48          2HD2      LEU  48  11.237   3.832   0.648
  572   3HD2  LEU  48          1HD2      LEU  48  10.857   2.226   1.240
  573    MD1  LEU  48           QD1      LEU  48  10.753   0.649  -1.166
  574    MD2  LEU  48           QD2      LEU  48  11.495   2.856   0.770
  575    QB   LEU  48           QB       LEU  48  11.540   2.813  -2.579
  576    QD   LEU  48           QQD      LEU  48  11.124   1.753  -0.198
  577    H    LYS  49           H        LYS  49  10.846   5.234  -4.134
  578    HA   LYS  49           HA       LYS  49  13.368   5.462  -5.443
  579   1HB   LYS  49          2HB       LYS  49  10.642   6.395  -6.352
  580   2HB   LYS  49          1HB       LYS  49  12.067   6.214  -7.368
  581   1HG   LYS  49          2HG       LYS  49  12.084   3.811  -6.925
  582   2HG   LYS  49          1HG       LYS  49  10.660   3.997  -5.902
  583   1HD   LYS  49          2HD       LYS  49   9.427   4.872  -7.862
  584   2HD   LYS  49          1HD       LYS  49  10.844   4.541  -8.857
  585   1HE   LYS  49          2HE       LYS  49   9.241   2.724  -9.054
  586   2HE   LYS  49          1HE       LYS  49  10.715   2.168  -8.264
  587   1HZ   LYS  49          3HZ       LYS  49   8.200   2.923  -6.894
  588   2HZ   LYS  49          2HZ       LYS  49   8.705   1.352  -7.176
  589   3HZ   LYS  49          1HZ       LYS  49   9.591   2.342  -6.126
  590    QB   LYS  49           QB       LYS  49  11.355   6.305  -6.860
  591    QD   LYS  49           QD       LYS  49  10.136   4.706  -8.359
  592    QG   LYS  49           QG       LYS  49  11.372   3.904  -6.414
  593    QE   LYS  49           QE       LYS  49   9.978   2.446  -8.659
  594    QZ   LYS  49           QZ       LYS  49   8.832   2.206  -6.732
  595    H    THR  50           H        THR  50  11.134   7.734  -3.933
  596    HA   THR  50           HA       THR  50  12.282  10.143  -4.786
  597    HB   THR  50           HB       THR  50  11.000   9.560  -2.095
  598    HG1  THR  50          1HG       THR  50   9.093  10.032  -3.016
  599   1HG2  THR  50          2HG2      THR  50  12.204  11.707  -2.187
  600   2HG2  THR  50          1HG2      THR  50  11.277  12.165  -3.609
  601   3HG2  THR  50          3HG2      THR  50  10.461  11.950  -2.060
  602    MG   THR  50           QG2      THR  50  11.314  11.940  -2.619
  603    H    LYS  51           H        LYS  51  12.985   8.064  -2.016
  604    HA   LYS  51           HA       LYS  51  15.036   9.654  -0.922
  605   1HB   LYS  51          2HB       LYS  51  14.555   6.676  -0.663
  606   2HB   LYS  51          1HB       LYS  51  15.607   7.634   0.369
  607   1HG   LYS  51          2HG       LYS  51  13.728   8.866   1.219
  608   2HG   LYS  51          1HG       LYS  51  12.645   8.041   0.094
  609   1HD   LYS  51          2HD       LYS  51  13.227   5.898   1.189
  610   2HD   LYS  51          1HD       LYS  51  14.191   6.798   2.363
  611   1HE   LYS  51          2HE       LYS  51  11.216   7.079   1.892
  612   2HE   LYS  51          1HE       LYS  51  11.972   6.283   3.269
  613   1HZ   LYS  51          1HZ       LYS  51  12.948   8.428   3.886
  614   2HZ   LYS  51          3HZ       LYS  51  12.130   9.181   2.607
  615   3HZ   LYS  51          2HZ       LYS  51  11.277   8.466   3.871
  616    QB   LYS  51           QB       LYS  51  15.081   7.155  -0.147
  617    QD   LYS  51           QD       LYS  51  13.709   6.348   1.776
  618    QG   LYS  51           QG       LYS  51  13.187   8.453   0.657
  619    QE   LYS  51           QE       LYS  51  11.594   6.681   2.580
  620    QZ   LYS  51           QZ       LYS  51  12.118   8.692   3.455
  621    H    LYS  52           H        LYS  52  14.979   6.806  -3.006
  622    HA   LYS  52           HA       LYS  52  16.381   5.702  -4.267
  623   1HB   LYS  52          2HB       LYS  52  17.710   6.902  -5.939
  624   2HB   LYS  52          1HB       LYS  52  16.097   7.554  -5.772
  625   1HG   LYS  52          2HG       LYS  52  16.994   9.443  -4.509
  626   2HG   LYS  52          1HG       LYS  52  18.617   8.759  -4.662
  627   1HD   LYS  52          2HD       LYS  52  16.882   9.418  -7.018
  628   2HD   LYS  52          1HD       LYS  52  18.027  10.587  -6.337
  629   1HE   LYS  52          2HE       LYS  52  18.689   7.863  -7.491
  630   2HE   LYS  52          1HE       LYS  52  18.910   9.404  -8.303
  631   1HZ   LYS  52          1HZ       LYS  52  20.298   8.568  -5.812
  632   2HZ   LYS  52          3HZ       LYS  52  20.956   8.590  -7.358
  633   3HZ   LYS  52          2HZ       LYS  52  20.518  10.034  -6.605
  634    QB   LYS  52           QB       LYS  52  16.903   7.228  -5.856
  635    QD   LYS  52           QD       LYS  52  17.454  10.002  -6.678
  636    QG   LYS  52           QG       LYS  52  17.806   9.101  -4.586
  637    QE   LYS  52           QE       LYS  52  18.799   8.634  -7.897
  638    QZ   LYS  52           QZ       LYS  52  20.590   9.064  -6.592
  639    H    LYS  53           H        LYS  53  17.546   6.867  -1.642
  640    HA   LYS  53           HA       LYS  53  20.306   6.010  -1.977
  641   1HB   LYS  53          2HB       LYS  53  20.547   6.815   0.345
  642   2HB   LYS  53          1HB       LYS  53  19.935   8.051  -0.741
  643   1HG   LYS  53          2HG       LYS  53  17.641   7.607   0.090
  644   2HG   LYS  53          1HG       LYS  53  18.309   6.459   1.250
  645   1HD   LYS  53          2HD       LYS  53  18.951   9.408   1.087
  646   2HD   LYS  53          1HD       LYS  53  17.900   8.650   2.283
  647   1HE   LYS  53          2HE       LYS  53  19.799   7.362   3.136
  648   2HE   LYS  53          1HE       LYS  53  20.841   8.075   1.911
  649   1HZ   LYS  53          2HZ       LYS  53  20.404  10.253   2.902
  650   2HZ   LYS  53          1HZ       LYS  53  19.483   9.535   4.110
  651   3HZ   LYS  53          3HZ       LYS  53  21.130   9.207   3.989
  652    QB   LYS  53           QB       LYS  53  20.241   7.433  -0.198
  653    QD   LYS  53           QD       LYS  53  18.425   9.029   1.685
  654    QG   LYS  53           QG       LYS  53  17.975   7.033   0.670
  655    QE   LYS  53           QE       LYS  53  20.320   7.719   2.524
  656    QZ   LYS  53           QZ       LYS  53  20.339   9.665   3.667
  657    H    ARG  54           H        ARG  54  17.857   4.340  -2.023
  658    HA   ARG  54           HA       ARG  54  18.134   2.654   0.321
  659   1HB   ARG  54          2HB       ARG  54  16.284   2.393  -2.063
  660   2HB   ARG  54          1HB       ARG  54  16.234   1.401  -0.619
  661   1HG   ARG  54          2HG       ARG  54  15.704   4.373  -0.716
  662   2HG   ARG  54          1HG       ARG  54  14.471   3.117  -0.657
  663   1HD   ARG  54          2HD       ARG  54  16.565   3.612   1.467
  664   2HD   ARG  54          1HD       ARG  54  14.889   4.143   1.544
  665    HE   ARG  54           HE       ARG  54  14.935   1.370   1.130
  666   1HH1  ARG  54          1HH1      ARG  54  15.673   3.728   3.688
  667   2HH1  ARG  54          2HH1      ARG  54  15.399   2.634   4.955
  668   1HH2  ARG  54          1HH2      ARG  54  14.565  -0.164   2.991
  669   2HH2  ARG  54          2HH2      ARG  54  14.791   0.482   4.553
  670    QB   ARG  54           QB       ARG  54  16.259   1.897  -1.341
  671    QG   ARG  54           QG       ARG  54  15.088   3.745  -0.687
  672    QD   ARG  54           QD       ARG  54  15.727   3.877   1.505
  673    QH1  ARG  54           QH1      ARG  54  15.536   3.181   4.322
  674    QH2  ARG  54           QH2      ARG  54  14.678   0.159   3.772
  675    H    TYR  55           H        TYR  55  18.935   0.664   0.244
  676    HA   TYR  55           HA       TYR  55  21.018  -0.133  -1.289
  677   1HB   TYR  55          2HB       TYR  55  20.388  -2.491  -0.437
  678   2HB   TYR  55          1HB       TYR  55  20.731  -1.231   0.747
  679    HD1  TYR  55          1HD       TYR  55  19.074  -0.443   2.207
  680    HD2  TYR  55          2HD       TYR  55  18.009  -3.147  -0.877
  681    HE1  TYR  55          1HE       TYR  55  16.852  -0.708   3.228
  682    HE2  TYR  55          2HE       TYR  55  15.774  -3.433   0.132
  683    HH   TYR  55           HH       TYR  55  14.711  -3.154   2.308
  684    QB   TYR  55           QB       TYR  55  20.559  -1.861   0.155
  685    QD   TYR  55           QD       TYR  55  18.541  -1.795   0.665
  686    QE   TYR  55           QE       TYR  55  16.313  -2.070   1.680
  687    QR   TYR  55           QR       TYR  55  17.427  -1.933   1.172
  688    H    SER  56           H        SER  56  17.707  -0.306  -2.334
  689    HA   SER  56           HA       SER  56  17.874  -2.511  -4.045
  690   1HB   SER  56          2HB       SER  56  15.784  -1.326  -4.969
  691   2HB   SER  56          1HB       SER  56  15.755  -1.911  -3.301
  692    HG   SER  56           HG       SER  56  15.252   0.464  -4.095
  693    QB   SER  56           QB       SER  56  15.769  -1.618  -4.135
  694    H    LEU  57           H        LEU  57  19.050   0.729  -4.343
  695    HA   LEU  57           HA       LEU  57  19.365   0.370  -7.236
  696   1HB   LEU  57          2HB       LEU  57  19.868   2.819  -5.536
  697   2HB   LEU  57          1HB       LEU  57  20.081   2.734  -7.268
  698    HG   LEU  57           HG       LEU  57  17.473   2.579  -5.750
  699   1HD1  LEU  57          3HD1      LEU  57  18.394   4.822  -5.944
  700   2HD1  LEU  57          2HD1      LEU  57  18.552   4.627  -7.683
  701   3HD1  LEU  57          1HD1      LEU  57  16.958   4.655  -6.944
  702   1HD2  LEU  57          3HD2      LEU  57  17.962   2.352  -8.722
  703   2HD2  LEU  57          2HD2      LEU  57  17.382   1.064  -7.661
  704   3HD2  LEU  57          1HD2      LEU  57  16.383   2.487  -7.944
  705    MD1  LEU  57           QD1      LEU  57  17.968   4.701  -6.857
  706    MD2  LEU  57           QD2      LEU  57  17.242   1.968  -8.109
  707    QB   LEU  57           QB       LEU  57  19.975   2.776  -6.402
  708    QD   LEU  57           QQD      LEU  57  17.605   3.334  -7.483
  709    H    LEU  58           H        LEU  58  20.943  -0.437  -4.558
  710    HA   LEU  58           HA       LEU  58  23.602   0.161  -5.650
  711   1HB   LEU  58          2HB       LEU  58  22.743  -0.501  -2.842
  712   2HB   LEU  58          1HB       LEU  58  24.424  -0.484  -3.310
  713    HG   LEU  58           HG       LEU  58  24.156   1.976  -3.872
  714   1HD1  LEU  58          3HD1      LEU  58  21.743   2.030  -4.136
  715   2HD1  LEU  58          2HD1      LEU  58  21.544   1.678  -2.423
  716   3HD1  LEU  58          1HD1      LEU  58  22.286   3.202  -2.928
  717   1HD2  LEU  58          1HD2      LEU  58  23.607   1.151  -1.035
  718   2HD2  LEU  58          3HD2      LEU  58  25.192   1.259  -1.801
  719   3HD2  LEU  58          2HD2      LEU  58  24.234   2.719  -1.545
  720    MD1  LEU  58           QD1      LEU  58  21.858   2.303  -3.162
  721    MD2  LEU  58           QD2      LEU  58  24.344   1.710  -1.460
  722    QB   LEU  58           QB       LEU  58  23.583  -0.493  -3.076
  723    QD   LEU  58           QQD      LEU  58  23.101   2.007  -2.311
  724    H    GLU  59           H        GLU  59  21.977  -2.306  -3.733
  725    HA   GLU  59           HA       GLU  59  21.708  -4.466  -3.847
  726   1HB   GLU  59          2HB       GLU  59  22.551  -4.082  -6.645
  727   2HB   GLU  59          1HB       GLU  59  21.700  -5.515  -6.027
  728   1HG   GLU  59          2HG       GLU  59  19.778  -4.141  -5.488
  729   2HG   GLU  59          1HG       GLU  59  20.663  -2.693  -5.954
  730    QB   GLU  59           QB       GLU  59  22.126  -4.799  -6.336
  731    QG   GLU  59           QG       GLU  59  20.221  -3.417  -5.721
  732    H    HIS  60           H        HIS  60  24.561  -4.013  -5.724
  733    HA   HIS  60           HA       HIS  60  25.540  -6.546  -4.664
  734   1HB   HIS  60          2HB       HIS  60  25.718  -5.988  -7.123
  735   2HB   HIS  60          1HB       HIS  60  26.971  -4.830  -6.695
  736    HD1  HIS  60          1HD       HIS  60  29.152  -5.891  -7.461
  737    HD2  HIS  60          2HD       HIS  60  26.608  -8.624  -5.629
  738    HE1  HIS  60          1HE       HIS  60  30.393  -8.069  -7.402
  739    QB   HIS  60           QB       HIS  60  26.345  -5.409  -6.909
  740    H    HIS  61           H        HIS  61  26.131  -6.253  -2.640
  741    HA   HIS  61           HA       HIS  61  28.388  -4.444  -2.105
  742   1HB   HIS  61          2HB       HIS  61  26.215  -5.413  -0.223
  743   2HB   HIS  61          1HB       HIS  61  27.666  -4.579   0.311
  744    HD1  HIS  61          1HD       HIS  61  24.237  -3.858  -0.317
  745    HD2  HIS  61          2HD       HIS  61  27.829  -1.947  -1.204
  746    HE1  HIS  61          1HE       HIS  61  23.666  -1.478  -0.719
  747    QB   HIS  61           QB       HIS  61  26.941  -4.996   0.044
  748    H    HIS  62           H        HIS  62  29.739  -5.296  -0.236
  749    HA   HIS  62           HA       HIS  62  31.336  -6.703   0.224
  750   1HB   HIS  62          2HB       HIS  62  30.544  -8.918   1.372
  751   2HB   HIS  62          1HB       HIS  62  30.187  -7.374   2.110
  752    HD1  HIS  62          1HD       HIS  62  27.759  -6.918   2.627
  753    HD2  HIS  62          2HD       HIS  62  28.256 -10.179   0.099
  754    HE1  HIS  62          1HE       HIS  62  25.485  -7.953   2.387
  755    QB   HIS  62           QB       HIS  62  30.365  -8.146   1.741
  756    H    HIS  63           H        HIS  63  32.304  -6.814  -1.613
  757    HA   HIS  63           HA       HIS  63  32.591  -9.447  -2.715
  758   1HB   HIS  63          2HB       HIS  63  32.314  -8.664  -5.054
  759   2HB   HIS  63          1HB       HIS  63  30.810  -8.534  -4.158
  760    HD1  HIS  63          1HD       HIS  63  32.996  -6.590  -6.353
  761    HD2  HIS  63          2HD       HIS  63  30.292  -5.758  -3.300
  762    HE1  HIS  63          1HE       HIS  63  32.411  -4.166  -6.577
  763    QB   HIS  63           QB       HIS  63  31.562  -8.599  -4.606
  764    H    HIS  64           H        HIS  64  34.426  -9.182  -4.502
  765    HA   HIS  64           HA       HIS  64  36.250  -7.040  -3.877
  766   1HB   HIS  64          2HB       HIS  64  36.647  -8.799  -2.145
  767   2HB   HIS  64          1HB       HIS  64  36.964  -9.955  -3.426
  768    HD1  HIS  64          1HD       HIS  64  39.418 -10.384  -3.439
  769    HD2  HIS  64          2HD       HIS  64  38.541  -6.396  -2.739
  770    HE1  HIS  64          1HE       HIS  64  41.630  -9.228  -3.138
  771    QB   HIS  64           QB       HIS  64  36.806  -9.377  -2.785

  No H/Q in entry =         771
  Start of MODEL    9
    1    H1   MET   1          3HT       MET   1  12.226  -8.345   2.008
    2    H2   MET   1          2HT       MET   1  12.596  -7.250   3.194
    3    H3   MET   1          1HT       MET   1  11.722  -8.639   3.595
    4    HA   MET   1           HA       MET   1   9.903  -7.849   2.218
    5   1HB   MET   1          2HB       MET   1  10.873  -5.761   4.191
    6   2HB   MET   1          1HB       MET   1   9.229  -5.872   3.586
    7   1HG   MET   1          2HG       MET   1  10.663  -7.873   5.323
    8   2HG   MET   1          1HG       MET   1   9.332  -6.818   5.792
    9   1HE   MET   1          3HE       MET   1   9.375  -9.967   6.317
   10   2HE   MET   1          2HE       MET   1   8.025  -8.930   6.784
   11   3HE   MET   1          1HE       MET   1   7.725 -10.403   5.867
   12    QB   MET   1           QB       MET   1  10.051  -5.817   3.888
   13    QG   MET   1           QG       MET   1   9.997  -7.346   5.557
   14    ME   MET   1           QE       MET   1   8.375  -9.767   6.322
   15    H    ASN   2           H        ASN   2  10.197  -7.419   0.151
   16    HA   ASN   2           HA       ASN   2  11.832  -5.130  -0.686
   17   1HB   ASN   2          2HB       ASN   2  10.550  -7.120  -2.528
   18   2HB   ASN   2          1HB       ASN   2  12.045  -6.210  -2.737
   19   1HD2  ASN   2          1HD2      ASN   2  13.968  -6.988  -1.673
   20   2HD2  ASN   2          2HD2      ASN   2  14.039  -8.614  -1.149
   21    QB   ASN   2           QB       ASN   2  11.297  -6.665  -2.633
   22    QD   ASN   2           QD2      ASN   2  14.003  -7.801  -1.411
   23    H    VAL   3           H        VAL   3  10.903  -3.849  -2.512
   24    HA   VAL   3           HA       VAL   3   8.327  -2.966  -1.761
   25    HB   VAL   3           HB       VAL   3   8.421  -1.382  -3.661
   26   1HG1  VAL   3          3HG1      VAL   3  10.904  -1.535  -1.972
   27   2HG1  VAL   3          2HG1      VAL   3  10.398  -0.110  -2.882
   28   3HG1  VAL   3          1HG1      VAL   3   9.394  -0.729  -1.567
   29   1HG2  VAL   3          1HG2      VAL   3   9.628  -2.780  -5.281
   30   2HG2  VAL   3          3HG2      VAL   3  10.426  -1.225  -5.056
   31   3HG2  VAL   3          2HG2      VAL   3  11.085  -2.668  -4.287
   32    MG1  VAL   3           QG1      VAL   3  10.232  -0.792  -2.140
   33    MG2  VAL   3           QG2      VAL   3  10.380  -2.224  -4.875
   34    QG   VAL   3           QQG      VAL   3  10.306  -1.508  -3.508
   35    H    THR   4           H        THR   4   9.376  -5.238  -4.113
   36    HA   THR   4           HA       THR   4   7.000  -5.258  -5.627
   37    HB   THR   4           HB       THR   4   9.010  -6.296  -6.532
   38    HG1  THR   4          1HG       THR   4   7.814  -7.549  -7.599
   39   1HG2  THR   4          3HG2      THR   4   8.706  -8.308  -4.316
   40   2HG2  THR   4          2HG2      THR   4   9.812  -8.485  -5.681
   41   3HG2  THR   4          1HG2      THR   4  10.027  -7.162  -4.527
   42    MG   THR   4           QG2      THR   4   9.515  -7.985  -4.841
   43    H    LYS   5           H        LYS   5   7.884  -6.828  -2.623
   44    HA   LYS   5           HA       LYS   5   5.590  -8.518  -2.404
   45   1HB   LYS   5          2HB       LYS   5   7.528  -7.425  -0.367
   46   2HB   LYS   5          1HB       LYS   5   6.185  -8.458   0.077
   47   1HG   LYS   5          2HG       LYS   5   7.118 -10.277  -1.223
   48   2HG   LYS   5          1HG       LYS   5   8.418  -9.227  -1.798
   49   1HD   LYS   5          2HD       LYS   5   9.351  -9.045   0.381
   50   2HD   LYS   5          1HD       LYS   5   7.924  -9.764   1.122
   51   1HE   LYS   5          2HE       LYS   5   9.861 -11.292   1.037
   52   2HE   LYS   5          1HE       LYS   5   8.459 -11.913   0.178
   53   1HZ   LYS   5          2HZ       LYS   5  10.766 -10.572  -1.170
   54   2HZ   LYS   5          1HZ       LYS   5  10.594 -12.234  -0.961
   55   3HZ   LYS   5          3HZ       LYS   5   9.468 -11.408  -1.877
   56    QB   LYS   5           QB       LYS   5   6.856  -7.941  -0.145
   57    QD   LYS   5           QD       LYS   5   8.638  -9.404   0.752
   58    QG   LYS   5           QG       LYS   5   7.768  -9.752  -1.511
   59    QE   LYS   5           QE       LYS   5   9.160 -11.603   0.607
   60    QZ   LYS   5           QZ       LYS   5  10.276 -11.404  -1.336
   61    H    LEU   6           H        LEU   6   6.426  -5.296  -1.409
   62    HA   LEU   6           HA       LEU   6   4.165  -4.670   0.130
   63   1HB   LEU   6          2HB       LEU   6   6.334  -3.409   0.066
   64   2HB   LEU   6          1HB       LEU   6   5.901  -2.852  -1.532
   65    HG   LEU   6           HG       LEU   6   4.097  -1.471  -0.625
   66   1HD1  LEU   6          3HD1      LEU   6   4.903  -2.596   2.056
   67   2HD1  LEU   6          2HD1      LEU   6   3.747  -1.295   1.786
   68   3HD1  LEU   6          1HD1      LEU   6   3.389  -2.925   1.214
   69   1HD2  LEU   6          2HD2      LEU   6   6.349  -0.546  -0.694
   70   2HD2  LEU   6          1HD2      LEU   6   5.438   0.078   0.681
   71   3HD2  LEU   6          3HD2      LEU   6   6.661  -1.167   0.927
   72    MD1  LEU   6           QD1      LEU   6   4.013  -2.272   1.685
   73    MD2  LEU   6           QD2      LEU   6   6.149  -0.545   0.304
   74    QB   LEU   6           QB       LEU   6   6.118  -3.131  -0.733
   75    QD   LEU   6           QQD      LEU   6   5.081  -1.408   0.995
   76    H    ASN   7           H        ASN   7   4.914  -4.232  -3.295
   77    HA   ASN   7           HA       ASN   7   2.543  -2.942  -4.036
   78   1HB   ASN   7          2HB       ASN   7   4.565  -3.036  -5.475
   79   2HB   ASN   7          1HB       ASN   7   4.253  -4.739  -5.769
   80   1HD2  ASN   7          1HD2      ASN   7   1.801  -2.159  -5.645
   81   2HD2  ASN   7          2HD2      ASN   7   1.357  -2.271  -7.298
   82    QB   ASN   7           QB       ASN   7   4.409  -3.887  -5.622
   83    QD   ASN   7           QD2      ASN   7   1.579  -2.215  -6.471
   84    H    ASP   8           H        ASP   8   3.408  -6.366  -3.988
   85    HA   ASP   8           HA       ASP   8   1.055  -7.429  -5.087
   86   1HB   ASP   8          2HB       ASP   8   2.973  -8.843  -4.842
   87   2HB   ASP   8          1HB       ASP   8   3.016  -8.583  -3.107
   88    QB   ASP   8           QB       ASP   8   2.994  -8.713  -3.975
   89    H    ARG   9           H        ARG   9   1.825  -6.543  -1.787
   90    HA   ARG   9           HA       ARG   9  -0.549  -7.485  -0.544
   91   1HB   ARG   9          2HB       ARG   9   1.280  -5.206   0.209
   92   2HB   ARG   9          1HB       ARG   9  -0.048  -5.749   1.215
   93   1HG   ARG   9          2HG       ARG   9   1.025  -7.944   1.433
   94   2HG   ARG   9          1HG       ARG   9   2.363  -7.377   0.429
   95   1HD   ARG   9          2HD       ARG   9   2.890  -7.245   2.835
   96   2HD   ARG   9          1HD       ARG   9   2.896  -5.657   2.061
   97    HE   ARG   9           HE       ARG   9   0.372  -6.353   3.208
   98   1HH1  ARG   9          1HH1      ARG   9   3.578  -4.995   4.029
   99   2HH1  ARG   9          2HH1      ARG   9   3.006  -4.060   5.318
  100   1HH2  ARG   9          1HH2      ARG   9  -0.400  -5.074   5.026
  101   2HH2  ARG   9          2HH2      ARG   9   0.686  -4.121   5.919
  102    QB   ARG   9           QB       ARG   9   0.616  -5.477   0.712
  103    QG   ARG   9           QG       ARG   9   1.694  -7.660   0.931
  104    QD   ARG   9           QD       ARG   9   2.893  -6.451   2.448
  105    QH1  ARG   9           QH1      ARG   9   3.292  -4.527   4.674
  106    QH2  ARG   9           QH2      ARG   9   0.143  -4.598   5.473
  107    H    ILE  10           H        ILE  10   0.315  -4.443  -2.058
  108    HA   ILE  10           HA       ILE  10  -1.989  -2.963  -1.538
  109    HB   ILE  10           HB       ILE  10  -0.080  -2.895  -3.884
  110   1HG1  ILE  10          2HG1      ILE  10  -0.294  -1.154  -1.430
  111   2HG1  ILE  10          1HG1      ILE  10   0.910  -2.407  -1.703
  112   1HG2  ILE  10          3HG2      ILE  10  -2.193  -1.902  -4.566
  113   2HG2  ILE  10          2HG2      ILE  10  -2.160  -0.842  -3.158
  114   3HG2  ILE  10          1HG2      ILE  10  -0.936  -0.669  -4.416
  115   1HD1  ILE  10          1HD1      ILE  10   1.759  -1.140  -3.612
  116   2HD1  ILE  10          3HD1      ILE  10   0.568   0.117  -3.294
  117   3HD1  ILE  10          2HD1      ILE  10   1.835  -0.216  -2.114
  118    MG   ILE  10           QG2      ILE  10  -1.763  -1.138  -4.046
  119    MD   ILE  10           QD1      ILE  10   1.388  -0.413  -3.007
  120    QG   ILE  10           QG1      ILE  10   0.308  -1.780  -1.567
  121    H    GLU  11           H        GLU  11  -1.188  -5.163  -4.175
  122    HA   GLU  11           HA       GLU  11  -3.499  -4.767  -5.682
  123   1HB   GLU  11          2HB       GLU  11  -1.773  -7.238  -5.522
  124   2HB   GLU  11          1HB       GLU  11  -2.952  -6.902  -6.784
  125   1HG   GLU  11          2HG       GLU  11  -1.676  -4.841  -7.343
  126   2HG   GLU  11          1HG       GLU  11  -0.449  -5.350  -6.189
  127    QB   GLU  11           QB       GLU  11  -2.363  -7.070  -6.153
  128    QG   GLU  11           QG       GLU  11  -1.062  -5.096  -6.766
  129    H    ALA  12           H        ALA  12  -2.879  -6.925  -3.005
  130    HA   ALA  12           HA       ALA  12  -5.359  -8.310  -3.228
  131   1HB   ALA  12          3HB       ALA  12  -3.426  -9.303  -2.101
  132   2HB   ALA  12          1HB       ALA  12  -4.818  -9.215  -1.021
  133   3HB   ALA  12          2HB       ALA  12  -3.501  -8.049  -0.865
  134    MB   ALA  12           QB       ALA  12  -3.915  -8.856  -1.329
  135    H    LYS  13           H        LYS  13  -4.242  -5.472  -1.495
  136    HA   LYS  13           HA       LYS  13  -6.575  -5.201   0.133
  137   1HB   LYS  13          2HB       LYS  13  -4.250  -3.427  -0.477
  138   2HB   LYS  13          1HB       LYS  13  -5.637  -2.811   0.406
  139   1HG   LYS  13          2HG       LYS  13  -5.261  -4.329   2.196
  140   2HG   LYS  13          1HG       LYS  13  -4.037  -5.208   1.267
  141   1HD   LYS  13          2HD       LYS  13  -2.546  -3.361   1.326
  142   2HD   LYS  13          1HD       LYS  13  -3.794  -2.290   1.946
  143   1HE   LYS  13          2HE       LYS  13  -2.820  -4.686   3.475
  144   2HE   LYS  13          1HE       LYS  13  -2.034  -3.117   3.600
  145   1HZ   LYS  13          2HZ       LYS  13  -4.180  -2.191   4.302
  146   2HZ   LYS  13          1HZ       LYS  13  -4.874  -3.722   4.276
  147   3HZ   LYS  13          3HZ       LYS  13  -3.636  -3.368   5.369
  148    QB   LYS  13           QB       LYS  13  -4.943  -3.119  -0.036
  149    QD   LYS  13           QD       LYS  13  -3.170  -2.826   1.636
  150    QG   LYS  13           QG       LYS  13  -4.649  -4.769   1.731
  151    QE   LYS  13           QE       LYS  13  -2.427  -3.901   3.538
  152    QZ   LYS  13           QZ       LYS  13  -4.230  -3.094   4.649
  153    H    LYS  14           H        LYS  14  -5.608  -3.933  -2.975
  154    HA   LYS  14           HA       LYS  14  -7.750  -2.070  -3.052
  155   1HB   LYS  14          2HB       LYS  14  -7.141  -1.655  -5.378
  156   2HB   LYS  14          1HB       LYS  14  -5.726  -1.651  -4.343
  157   1HG   LYS  14          2HG       LYS  14  -5.430  -4.088  -5.092
  158   2HG   LYS  14          1HG       LYS  14  -6.572  -3.685  -6.371
  159   1HD   LYS  14          2HD       LYS  14  -3.955  -2.291  -5.815
  160   2HD   LYS  14          1HD       LYS  14  -4.259  -3.417  -7.129
  161   1HE   LYS  14          2HE       LYS  14  -5.652  -0.761  -6.758
  162   2HE   LYS  14          1HE       LYS  14  -4.318  -1.063  -7.862
  163   1HZ   LYS  14          3HZ       LYS  14  -5.700  -2.644  -9.046
  164   2HZ   LYS  14          2HZ       LYS  14  -6.999  -2.347  -8.012
  165   3HZ   LYS  14          1HZ       LYS  14  -6.409  -1.125  -8.996
  166    QB   LYS  14           QB       LYS  14  -6.434  -1.653  -4.861
  167    QD   LYS  14           QD       LYS  14  -4.107  -2.854  -6.472
  168    QG   LYS  14           QG       LYS  14  -6.001  -3.887  -5.731
  169    QE   LYS  14           QE       LYS  14  -4.985  -0.912  -7.310
  170    QZ   LYS  14           QZ       LYS  14  -6.369  -2.039  -8.685
  171    H    LYS  15           H        LYS  15  -7.444  -5.404  -3.991
  172    HA   LYS  15           HA       LYS  15  -9.836  -5.515  -5.502
  173   1HB   LYS  15          2HB       LYS  15  -8.279  -7.624  -4.053
  174   2HB   LYS  15          1HB       LYS  15  -9.717  -7.978  -5.002
  175   1HG   LYS  15          2HG       LYS  15  -8.686  -7.021  -6.953
  176   2HG   LYS  15          1HG       LYS  15  -7.241  -6.646  -6.011
  177   1HD   LYS  15          2HD       LYS  15  -6.869  -8.968  -5.583
  178   2HD   LYS  15          1HD       LYS  15  -8.377  -9.387  -6.406
  179   1HE   LYS  15          2HE       LYS  15  -7.556  -8.409  -8.412
  180   2HE   LYS  15          1HE       LYS  15  -6.041  -7.990  -7.623
  181   1HZ   LYS  15          1HZ       LYS  15  -7.050 -10.777  -7.989
  182   2HZ   LYS  15          3HZ       LYS  15  -5.762 -10.101  -8.852
  183   3HZ   LYS  15          2HZ       LYS  15  -5.639 -10.345  -7.198
  184    QB   LYS  15           QB       LYS  15  -8.998  -7.801  -4.528
  185    QD   LYS  15           QD       LYS  15  -7.623  -9.178  -5.994
  186    QG   LYS  15           QG       LYS  15  -7.963  -6.834  -6.482
  187    QE   LYS  15           QE       LYS  15  -6.799  -8.199  -8.017
  188    QZ   LYS  15           QZ       LYS  15  -6.150 -10.408  -8.013
  189    H    GLU  16           H        GLU  16  -9.006  -5.662  -2.198
  190    HA   GLU  16           HA       GLU  16 -11.317  -6.826  -1.008
  191   1HB   GLU  16          2HB       GLU  16  -8.966  -6.491  -0.013
  192   2HB   GLU  16          1HB       GLU  16  -9.409  -4.810   0.183
  193   1HG   GLU  16          2HG       GLU  16  -9.686  -5.898   2.259
  194   2HG   GLU  16          1HG       GLU  16 -11.295  -5.552   1.623
  195    QB   GLU  16           QB       GLU  16  -9.188  -5.651   0.085
  196    QG   GLU  16           QG       GLU  16 -10.491  -5.725   1.941
  197    H    LEU  17           H        LEU  17 -10.062  -3.635  -1.598
  198    HA   LEU  17           HA       LEU  17 -12.057  -2.007  -0.658
  199   1HB   LEU  17          2HB       LEU  17  -9.983  -1.840  -2.693
  200   2HB   LEU  17          1HB       LEU  17 -11.185  -0.593  -2.759
  201    HG   LEU  17           HG       LEU  17  -9.380  -1.286  -0.416
  202   1HD1  LEU  17          2HD1      LEU  17  -8.248  -0.162  -2.275
  203   2HD1  LEU  17          1HD1      LEU  17  -9.420   1.156  -2.173
  204   3HD1  LEU  17          3HD1      LEU  17  -8.334   0.829  -0.818
  205   1HD2  LEU  17          1HD2      LEU  17 -11.489   0.848  -0.682
  206   2HD2  LEU  17          3HD2      LEU  17 -11.482  -0.491   0.468
  207   3HD2  LEU  17          2HD2      LEU  17 -10.283   0.797   0.593
  208    MD1  LEU  17           QD1      LEU  17  -8.667   0.608  -1.755
  209    MD2  LEU  17           QD2      LEU  17 -11.085   0.385   0.126
  210    QB   LEU  17           QB       LEU  17 -10.584  -1.217  -2.726
  211    QD   LEU  17           QQD      LEU  17  -9.876   0.496  -0.814
  212    H    ILE  18           H        ILE  18 -11.755  -3.460  -3.831
  213    HA   ILE  18           HA       ILE  18 -13.927  -2.293  -5.133
  214    HB   ILE  18           HB       ILE  18 -13.115  -5.200  -5.377
  215   1HG1  ILE  18          2HG1      ILE  18 -11.183  -3.685  -5.505
  216   2HG1  ILE  18          1HG1      ILE  18 -11.460  -4.511  -7.051
  217   1HG2  ILE  18          1HG2      ILE  18 -15.185  -4.674  -6.547
  218   2HG2  ILE  18          3HG2      ILE  18 -14.394  -3.336  -7.382
  219   3HG2  ILE  18          2HG2      ILE  18 -13.894  -4.995  -7.704
  220   1HD1  ILE  18          1HD1      ILE  18 -12.481  -2.404  -7.847
  221   2HD1  ILE  18          3HD1      ILE  18 -12.082  -1.682  -6.273
  222   3HD1  ILE  18          2HD1      ILE  18 -10.789  -2.267  -7.320
  223    MG   ILE  18           QG2      ILE  18 -14.491  -4.335  -7.211
  224    MD   ILE  18           QD1      ILE  18 -11.784  -2.118  -7.146
  225    QG   ILE  18           QG1      ILE  18 -11.321  -4.098  -6.278
  226    H    TYR  19           H        TYR  19 -13.777  -5.234  -3.223
  227    HA   TYR  19           HA       TYR  19 -16.489  -5.929  -3.309
  228   1HB   TYR  19          2HB       TYR  19 -14.773  -7.515  -2.671
  229   2HB   TYR  19          1HB       TYR  19 -14.340  -6.569  -1.259
  230    HD1  TYR  19          1HD       TYR  19 -16.939  -8.694  -2.795
  231    HD2  TYR  19          2HD       TYR  19 -15.616  -6.837   0.792
  232    HE1  TYR  19          1HE       TYR  19 -18.573 -10.007  -1.525
  233    HE2  TYR  19          2HE       TYR  19 -17.251  -8.149   2.076
  234    HH   TYR  19           HH       TYR  19 -18.930 -10.793   0.698
  235    QB   TYR  19           QB       TYR  19 -14.557  -7.042  -1.965
  236    QD   TYR  19           QD       TYR  19 -16.277  -7.765  -1.002
  237    QE   TYR  19           QE       TYR  19 -17.912  -9.078   0.276
  238    QR   TYR  19           QR       TYR  19 -17.095  -8.422  -0.363
  239    H    LEU  20           H        LEU  20 -14.632  -4.095  -0.938
  240    HA   LEU  20           HA       LEU  20 -16.704  -3.661   0.899
  241   1HB   LEU  20          2HB       LEU  20 -14.271  -1.959   0.386
  242   2HB   LEU  20          1HB       LEU  20 -15.288  -1.873   1.807
  243    HG   LEU  20           HG       LEU  20 -13.568  -4.226   1.006
  244   1HD1  LEU  20          1HD1      LEU  20 -12.265  -2.349   1.770
  245   2HD1  LEU  20          3HD1      LEU  20 -13.262  -2.246   3.222
  246   3HD1  LEU  20          2HD1      LEU  20 -12.253  -3.665   2.948
  247   1HD2  LEU  20          3HD2      LEU  20 -15.266  -3.799   3.457
  248   2HD2  LEU  20          2HD2      LEU  20 -15.568  -4.967   2.164
  249   3HD2  LEU  20          1HD2      LEU  20 -14.148  -5.138   3.194
  250    MD1  LEU  20           QD1      LEU  20 -12.593  -2.753   2.647
  251    MD2  LEU  20           QD2      LEU  20 -14.994  -4.635   2.938
  252    QB   LEU  20           QB       LEU  20 -14.780  -1.916   1.096
  253    QD   LEU  20           QQD      LEU  20 -13.794  -3.694   2.793
  254    H    VAL  21           H        VAL  21 -15.536  -1.616  -1.753
  255    HA   VAL  21           HA       VAL  21 -17.233   0.562  -1.352
  256    HB   VAL  21           HB       VAL  21 -16.038  -0.464  -3.955
  257   1HG1  VAL  21          3HG1      VAL  21 -17.303   2.215  -3.385
  258   2HG1  VAL  21          2HG1      VAL  21 -16.449   1.783  -4.867
  259   3HG1  VAL  21          1HG1      VAL  21 -17.960   0.970  -4.446
  260   1HG2  VAL  21          2HG2      VAL  21 -15.174   1.736  -2.083
  261   2HG2  VAL  21          1HG2      VAL  21 -14.373   0.181  -2.323
  262   3HG2  VAL  21          3HG2      VAL  21 -14.419   1.362  -3.631
  263    MG1  VAL  21           QG1      VAL  21 -17.237   1.656  -4.232
  264    MG2  VAL  21           QG2      VAL  21 -14.655   1.093  -2.679
  265    QG   VAL  21           QQG      VAL  21 -15.946   1.374  -3.456
  266    H    GLU  22           H        GLU  22 -17.782  -2.381  -3.233
  267    HA   GLU  22           HA       GLU  22 -20.291  -1.640  -4.332
  268   1HB   GLU  22          2HB       GLU  22 -19.358  -4.399  -3.583
  269   2HB   GLU  22          1HB       GLU  22 -20.674  -4.008  -4.665
  270   1HG   GLU  22          2HG       GLU  22 -19.124  -3.120  -6.276
  271   2HG   GLU  22          1HG       GLU  22 -17.780  -3.371  -5.155
  272    QB   GLU  22           QB       GLU  22 -20.016  -4.203  -4.124
  273    QG   GLU  22           QG       GLU  22 -18.452  -3.246  -5.715
  274    H    LYS  23           H        LYS  23 -19.399  -3.441  -1.441
  275    HA   LYS  23           HA       LYS  23 -22.141  -4.056  -0.859
  276   1HB   LYS  23          2HB       LYS  23 -19.686  -4.659   0.780
  277   2HB   LYS  23          1HB       LYS  23 -21.285  -5.346   1.016
  278   1HG   LYS  23          2HG       LYS  23 -19.585  -5.726  -1.451
  279   2HG   LYS  23          1HG       LYS  23 -19.741  -6.890  -0.137
  280   1HD   LYS  23          2HD       LYS  23 -22.103  -7.166  -0.631
  281   2HD   LYS  23          1HD       LYS  23 -22.024  -5.899  -1.853
  282   1HE   LYS  23          2HE       LYS  23 -20.430  -8.459  -1.971
  283   2HE   LYS  23          1HE       LYS  23 -21.989  -8.236  -2.762
  284   1HZ   LYS  23          3HZ       LYS  23 -19.514  -6.638  -3.384
  285   2HZ   LYS  23          2HZ       LYS  23 -20.162  -7.868  -4.300
  286   3HZ   LYS  23          1HZ       LYS  23 -21.041  -6.472  -4.085
  287    QB   LYS  23           QB       LYS  23 -20.485  -5.002   0.898
  288    QD   LYS  23           QD       LYS  23 -22.064  -6.533  -1.242
  289    QG   LYS  23           QG       LYS  23 -19.663  -6.308  -0.794
  290    QE   LYS  23           QE       LYS  23 -21.209  -8.347  -2.367
  291    QZ   LYS  23           QZ       LYS  23 -20.239  -6.992  -3.923
  292    H    TYR  24           H        TYR  24 -19.718  -1.900   0.586
  293    HA   TYR  24           HA       TYR  24 -21.733  -1.136   2.566
  294   1HB   TYR  24          2HB       TYR  24 -18.781  -0.474   2.496
  295   2HB   TYR  24          1HB       TYR  24 -19.896  -0.045   3.788
  296    HD1  TYR  24          1HD       TYR  24 -17.702  -2.542   2.505
  297    HD2  TYR  24          2HD       TYR  24 -21.062  -1.956   5.030
  298    HE1  TYR  24          1HE       TYR  24 -17.290  -4.725   3.543
  299    HE2  TYR  24          2HE       TYR  24 -20.654  -4.142   6.089
  300    HH   TYR  24           HH       TYR  24 -17.783  -5.864   5.679
  301    QB   TYR  24           QB       TYR  24 -19.338  -0.260   3.142
  302    QD   TYR  24           QD       TYR  24 -19.382  -2.249   3.767
  303    QE   TYR  24           QE       TYR  24 -18.972  -4.434   4.816
  304    QR   TYR  24           QR       TYR  24 -19.177  -3.341   4.292
  305    H    GLY  25           H        GLY  25 -20.007   0.118  -0.175
  306   1HA   GLY  25          1HA       GLY  25 -21.484   2.626   0.216
  307   2HA   GLY  25          2HA       GLY  25 -21.258   1.871  -1.351
  308    QA   GLY  25           QA       GLY  25 -21.371   2.249  -0.568
  309    H    PHE  26           H        PHE  26 -20.161   3.570  -2.299
  310    HA   PHE  26           HA       PHE  26 -17.380   3.833  -1.678
  311   1HB   PHE  26          2HB       PHE  26 -17.258   5.376  -3.555
  312   2HB   PHE  26          1HB       PHE  26 -18.268   4.017  -4.015
  313    HD1  PHE  26          1HD       PHE  26 -18.017   7.570  -3.717
  314    HD2  PHE  26          2HD       PHE  26 -20.804   4.362  -3.976
  315    HE1  PHE  26          1HE       PHE  26 -19.769   9.151  -4.402
  316    HE2  PHE  26          2HE       PHE  26 -22.556   5.937  -4.654
  317    HZ   PHE  26           HZ       PHE  26 -22.042   8.336  -4.873
  318    QB   PHE  26           QB       PHE  26 -17.763   4.697  -3.785
  319    QD   PHE  26           QD       PHE  26 -19.411   5.966  -3.846
  320    QE   PHE  26           QE       PHE  26 -21.163   7.544  -4.528
  321    QR   PHE  26           QR       PHE  26 -20.638   7.071  -4.324
  322    H    THR  27           H        THR  27 -20.171   5.339  -0.587
  323    HA   THR  27           HA       THR  27 -18.939   7.799   0.274
  324    HB   THR  27           HB       THR  27 -21.676   6.757   1.009
  325    HG1  THR  27          1HG       THR  27 -22.234   7.988  -1.025
  326   1HG2  THR  27          1HG2      THR  27 -20.896   8.868   2.050
  327   2HG2  THR  27          3HG2      THR  27 -20.609   9.540   0.446
  328   3HG2  THR  27          2HG2      THR  27 -22.248   9.149   0.956
  329    MG   THR  27           QG2      THR  27 -21.251   9.186   1.151
  330    H    HIS  28           H        HIS  28 -18.886   4.654   1.346
  331    HA   HIS  28           HA       HIS  28 -19.375   5.152   4.135
  332   1HB   HIS  28          2HB       HIS  28 -19.833   2.946   2.883
  333   2HB   HIS  28          1HB       HIS  28 -18.095   2.693   2.925
  334    HD1  HIS  28          1HD       HIS  28 -21.157   2.549   5.053
  335    HD2  HIS  28          2HD       HIS  28 -17.048   2.112   5.470
  336    HE1  HIS  28          1HE       HIS  28 -20.799   1.470   7.286
  337    QB   HIS  28           QB       HIS  28 -18.964   2.820   2.904
  338    H    HIS  29           H        HIS  29 -17.970   6.213   5.260
  339    HA   HIS  29           HA       HIS  29 -15.472   6.939   4.274
  340   1HB   HIS  29          2HB       HIS  29 -16.695   7.373   6.973
  341   2HB   HIS  29          1HB       HIS  29 -15.093   7.982   6.556
  342    HD1  HIS  29          1HD       HIS  29 -18.651   8.908   6.348
  343    HD2  HIS  29          2HD       HIS  29 -15.165   9.756   4.234
  344    HE1  HIS  29          1HE       HIS  29 -19.124  10.970   5.023
  345    QB   HIS  29           QB       HIS  29 -15.894   7.677   6.764
  346    H    LYS  30           H        LYS  30 -16.199   4.332   6.482
  347    HA   LYS  30           HA       LYS  30 -13.499   3.931   7.234
  348   1HB   LYS  30          2HB       LYS  30 -15.725   1.893   7.047
  349   2HB   LYS  30          1HB       LYS  30 -14.141   1.563   7.729
  350   1HG   LYS  30          2HG       LYS  30 -16.091   3.605   8.757
  351   2HG   LYS  30          1HG       LYS  30 -15.816   2.007   9.458
  352   1HD   LYS  30          2HD       LYS  30 -13.440   2.674   9.830
  353   2HD   LYS  30          1HD       LYS  30 -13.852   4.291   9.258
  354   1HE   LYS  30          2HE       LYS  30 -15.089   2.907  11.641
  355   2HE   LYS  30          1HE       LYS  30 -13.841   4.147  11.700
  356   1HZ   LYS  30          1HZ       LYS  30 -15.425   5.711  10.697
  357   2HZ   LYS  30          3HZ       LYS  30 -16.620   4.515  10.695
  358   3HZ   LYS  30          2HZ       LYS  30 -15.983   5.079  12.141
  359    QB   LYS  30           QB       LYS  30 -14.933   1.728   7.388
  360    QD   LYS  30           QD       LYS  30 -13.646   3.483   9.544
  361    QG   LYS  30           QG       LYS  30 -15.953   2.806   9.107
  362    QE   LYS  30           QE       LYS  30 -14.465   3.527  11.671
  363    QZ   LYS  30           QZ       LYS  30 -16.010   5.102  11.177
  364    H    VAL  31           H        VAL  31 -15.305   2.946   4.423
  365    HA   VAL  31           HA       VAL  31 -13.291   1.244   3.364
  366    HB   VAL  31           HB       VAL  31 -15.520   2.715   1.905
  367   1HG1  VAL  31          2HG1      VAL  31 -13.871   0.347   1.035
  368   2HG1  VAL  31          1HG1      VAL  31 -15.243   1.019   0.154
  369   3HG1  VAL  31          3HG1      VAL  31 -13.776   1.977   0.372
  370   1HG2  VAL  31          2HG2      VAL  31 -15.433  -0.080   3.032
  371   2HG2  VAL  31          1HG2      VAL  31 -16.417   1.254   3.621
  372   3HG2  VAL  31          3HG2      VAL  31 -16.732   0.566   2.026
  373    MG1  VAL  31           QG1      VAL  31 -14.297   1.114   0.520
  374    MG2  VAL  31           QG2      VAL  31 -16.194   0.580   2.893
  375    QG   VAL  31           QQG      VAL  31 -15.245   0.847   1.707
  376    H    ILE  32           H        ILE  32 -14.117   4.625   3.058
  377    HA   ILE  32           HA       ILE  32 -12.161   5.340   1.159
  378    HB   ILE  32           HB       ILE  32 -13.422   7.071   3.321
  379   1HG1  ILE  32          2HG1      ILE  32 -14.175   6.664   0.416
  380   2HG1  ILE  32          1HG1      ILE  32 -15.051   6.025   1.800
  381   1HG2  ILE  32          2HG2      ILE  32 -11.374   8.098   2.442
  382   2HG2  ILE  32          1HG2      ILE  32 -11.967   7.899   0.794
  383   3HG2  ILE  32          3HG2      ILE  32 -12.799   8.988   1.906
  384   1HD1  ILE  32          3HD1      ILE  32 -15.568   8.314   2.504
  385   2HD1  ILE  32          2HD1      ILE  32 -14.696   8.930   1.101
  386   3HD1  ILE  32          1HD1      ILE  32 -16.156   7.968   0.878
  387    MG   ILE  32           QG2      ILE  32 -12.046   8.328   1.714
  388    MD   ILE  32           QD1      ILE  32 -15.473   8.404   1.495
  389    QG   ILE  32           QG1      ILE  32 -14.613   6.345   1.108
  390    H    SER  33           H        SER  33 -12.071   5.135   4.680
  391    HA   SER  33           HA       SER  33  -9.500   6.137   5.076
  392   1HB   SER  33          2HB       SER  33 -11.121   5.675   6.923
  393   2HB   SER  33          1HB       SER  33 -10.889   3.948   6.665
  394    HG   SER  33           HG       SER  33  -8.886   5.816   7.386
  395    QB   SER  33           QB       SER  33 -11.005   4.811   6.794
  396    H    PHE  34           H        PHE  34 -10.611   2.839   4.285
  397    HA   PHE  34           HA       PHE  34  -8.023   1.666   4.333
  398   1HB   PHE  34          2HB       PHE  34 -10.376   0.755   2.670
  399   2HB   PHE  34          1HB       PHE  34  -8.977  -0.210   3.111
  400    HD1  PHE  34          1HD       PHE  34  -8.822   0.475   6.035
  401    HD2  PHE  34          2HD       PHE  34 -12.088  -0.423   3.492
  402    HE1  PHE  34          1HE       PHE  34 -10.090  -0.366   7.975
  403    HE2  PHE  34          2HE       PHE  34 -13.377  -1.264   5.402
  404    HZ   PHE  34           HZ       PHE  34 -12.372  -1.232   7.668
  405    QB   PHE  34           QB       PHE  34  -9.677   0.272   2.891
  406    QD   PHE  34           QD       PHE  34 -10.455   0.026   4.764
  407    QE   PHE  34           QE       PHE  34 -11.734  -0.815   6.689
  408    QR   PHE  34           QR       PHE  34 -11.350  -0.562   6.114
  409    H    SER  35           H        SER  35  -9.887   3.301   1.884
  410    HA   SER  35           HA       SER  35  -8.225   2.733  -0.310
  411   1HB   SER  35          2HB       SER  35 -10.564   3.664  -0.464
  412   2HB   SER  35          1HB       SER  35  -9.942   5.207   0.110
  413    HG   SER  35           HG       SER  35 -10.156   4.583  -2.312
  414    QB   SER  35           QB       SER  35 -10.253   4.435  -0.177
  415    H    GLN  36           H        GLN  36  -8.140   5.287   2.096
  416    HA   GLN  36           HA       GLN  36  -5.912   6.682   1.005
  417   1HB   GLN  36          2HB       GLN  36  -7.028   6.594   3.807
  418   2HB   GLN  36          1HB       GLN  36  -5.795   7.723   3.265
  419   1HG   GLN  36          2HG       GLN  36  -7.310   8.752   1.740
  420   2HG   GLN  36          1HG       GLN  36  -8.532   7.517   2.042
  421   1HE2  GLN  36          1HE2      GLN  36  -9.697   7.587   3.882
  422   2HE2  GLN  36          2HE2      GLN  36  -9.739   8.949   4.945
  423    QB   GLN  36           QB       GLN  36  -6.412   7.158   3.536
  424    QG   GLN  36           QG       GLN  36  -7.921   8.134   1.891
  425    QE   GLN  36           QE2      GLN  36  -9.718   8.268   4.414
  426    H    GLU  37           H        GLU  37  -6.315   4.069   3.237
  427    HA   GLU  37           HA       GLU  37  -3.684   3.801   4.254
  428   1HB   GLU  37          2HB       GLU  37  -5.922   2.776   5.055
  429   2HB   GLU  37          1HB       GLU  37  -5.730   1.616   3.771
  430   1HG   GLU  37          2HG       GLU  37  -3.729   1.937   5.987
  431   2HG   GLU  37          1HG       GLU  37  -5.133   0.886   6.114
  432    QB   GLU  37           QB       GLU  37  -5.826   2.196   4.413
  433    QG   GLU  37           QG       GLU  37  -4.431   1.412   6.051
  434    H    LEU  38           H        LEU  38  -5.393   2.427   1.541
  435    HA   LEU  38           HA       LEU  38  -3.353   0.849   0.405
  436   1HB   LEU  38          2HB       LEU  38  -5.853   0.732   0.006
  437   2HB   LEU  38          1HB       LEU  38  -5.717   2.188  -0.935
  438    HG   LEU  38           HG       LEU  38  -5.977   0.092  -2.256
  439   1HD1  LEU  38          2HD1      LEU  38  -3.413   1.572  -2.793
  440   2HD1  LEU  38          1HD1      LEU  38  -4.274   0.543  -3.934
  441   3HD1  LEU  38          3HD1      LEU  38  -5.025   2.027  -3.349
  442   1HD2  LEU  38          3HD2      LEU  38  -4.680  -1.339  -0.806
  443   2HD2  LEU  38          2HD2      LEU  38  -4.113  -1.429  -2.474
  444   3HD2  LEU  38          1HD2      LEU  38  -3.205  -0.504  -1.274
  445    MD1  LEU  38           QD1      LEU  38  -4.237   1.381  -3.359
  446    MD2  LEU  38           QD2      LEU  38  -3.999  -1.091  -1.518
  447    QB   LEU  38           QB       LEU  38  -5.785   1.460  -0.464
  448    QD   LEU  38           QQD      LEU  38  -4.118   0.145  -2.438
  449    H    ASP  39           H        ASP  39  -4.537   4.100  -0.250
  450    HA   ASP  39           HA       ASP  39  -2.893   4.857  -2.362
  451   1HB   ASP  39          2HB       ASP  39  -4.813   6.180  -1.727
  452   2HB   ASP  39          1HB       ASP  39  -4.102   6.520  -0.156
  453    QB   ASP  39           QB       ASP  39  -4.458   6.350  -0.941
  454    H    ARG  40           H        ARG  40  -2.339   5.113   1.108
  455    HA   ARG  40           HA       ARG  40   0.103   6.491   0.856
  456   1HB   ARG  40          2HB       ARG  40  -1.320   6.372   2.947
  457   2HB   ARG  40          1HB       ARG  40  -0.698   4.745   3.187
  458   1HG   ARG  40          2HG       ARG  40   0.519   6.351   4.559
  459   2HG   ARG  40          1HG       ARG  40   1.583   5.639   3.344
  460   1HD   ARG  40          2HD       ARG  40   1.335   7.606   1.933
  461   2HD   ARG  40          1HD       ARG  40   0.195   8.304   3.088
  462    HE   ARG  40           HE       ARG  40   2.566   7.800   4.426
  463   1HH1  ARG  40          1HH1      ARG  40   1.424   9.873   1.800
  464   2HH1  ARG  40          2HH1      ARG  40   2.550  11.114   2.074
  465   1HH2  ARG  40          1HH2      ARG  40   4.097   9.470   4.828
  466   2HH2  ARG  40          2HH2      ARG  40   4.129  10.885   3.860
  467    QB   ARG  40           QB       ARG  40  -1.009   5.559   3.067
  468    QG   ARG  40           QG       ARG  40   1.051   5.995   3.952
  469    QD   ARG  40           QD       ARG  40   0.765   7.955   2.510
  470    QH1  ARG  40           QH1      ARG  40   1.987  10.494   1.937
  471    QH2  ARG  40           QH2      ARG  40   4.113  10.178   4.344
  472    H    LEU  41           H        LEU  41  -0.700   3.061   1.015
  473    HA   LEU  41           HA       LEU  41   1.955   2.092   1.161
  474   1HB   LEU  41          2HB       LEU  41  -0.511   0.837  -0.040
  475   2HB   LEU  41          1HB       LEU  41   1.005  -0.001   0.189
  476    HG   LEU  41           HG       LEU  41  -0.703   1.119   2.404
  477   1HD1  LEU  41          3HD1      LEU  41  -1.758  -0.748   1.251
  478   2HD1  LEU  41          2HD1      LEU  41  -0.289  -1.705   1.450
  479   3HD1  LEU  41          1HD1      LEU  41  -1.219  -1.212   2.864
  480   1HD2  LEU  41          3HD2      LEU  41   1.754  -0.633   2.456
  481   2HD2  LEU  41          2HD2      LEU  41   1.660   1.047   2.992
  482   3HD2  LEU  41          1HD2      LEU  41   0.768  -0.204   3.855
  483    MD1  LEU  41           QD1      LEU  41  -1.089  -1.221   1.855
  484    MD2  LEU  41           QD2      LEU  41   1.394   0.070   3.101
  485    QB   LEU  41           QB       LEU  41   0.247   0.418   0.074
  486    QD   LEU  41           QQD      LEU  41   0.153  -0.576   2.478
  487    H    LEU  42           H        LEU  42  -0.173   2.853  -1.512
  488    HA   LEU  42           HA       LEU  42   1.533   2.112  -3.618
  489   1HB   LEU  42          2HB       LEU  42  -0.817   2.607  -3.990
  490   2HB   LEU  42          1HB       LEU  42  -0.578   4.265  -3.484
  491    HG   LEU  42           HG       LEU  42   0.882   4.625  -5.451
  492   1HD1  LEU  42          1HD1      LEU  42   1.625   2.361  -5.820
  493   2HD1  LEU  42          3HD1      LEU  42  -0.012   1.872  -6.271
  494   3HD1  LEU  42          2HD1      LEU  42   0.880   3.033  -7.263
  495   1HD2  LEU  42          1HD2      LEU  42  -1.910   3.652  -6.050
  496   2HD2  LEU  42          3HD2      LEU  42  -1.439   5.271  -5.527
  497   3HD2  LEU  42          2HD2      LEU  42  -0.923   4.673  -7.101
  498    MD1  LEU  42           QD1      LEU  42   0.831   2.422  -6.451
  499    MD2  LEU  42           QD2      LEU  42  -1.424   4.532  -6.226
  500    QB   LEU  42           QB       LEU  42  -0.697   3.436  -3.737
  501    QD   LEU  42           QQD      LEU  42  -0.297   3.477  -6.339
  502    H    ASN  43           H        ASN  43   1.253   5.024  -1.721
  503    HA   ASN  43           HA       ASN  43   2.976   6.609  -3.296
  504   1HB   ASN  43          2HB       ASN  43   1.297   7.403  -1.481
  505   2HB   ASN  43          1HB       ASN  43   2.572   7.013  -0.349
  506   1HD2  ASN  43          1HD2      ASN  43   3.144   8.338  -3.567
  507   2HD2  ASN  43          2HD2      ASN  43   3.767   9.840  -3.027
  508    QB   ASN  43           QB       ASN  43   1.935   7.208  -0.915
  509    QD   ASN  43           QD2      ASN  43   3.456   9.089  -3.297
  510    H    LEU  44           H        LEU  44   3.470   4.380  -0.656
  511    HA   LEU  44           HA       LEU  44   6.114   4.913   0.037
  512   1HB   LEU  44          2HB       LEU  44   4.600   2.330  -0.099
  513   2HB   LEU  44          1HB       LEU  44   6.183   2.376   0.602
  514    HG   LEU  44           HG       LEU  44   3.667   3.721   1.601
  515   1HD1  LEU  44          1HD1      LEU  44   3.827   1.344   2.071
  516   2HD1  LEU  44          3HD1      LEU  44   5.415   1.583   2.797
  517   3HD1  LEU  44          2HD1      LEU  44   3.989   2.292   3.549
  518   1HD2  LEU  44          1HD2      LEU  44   6.468   3.932   2.705
  519   2HD2  LEU  44          3HD2      LEU  44   5.519   5.246   1.999
  520   3HD2  LEU  44          2HD2      LEU  44   5.002   4.491   3.503
  521    MD1  LEU  44           QD1      LEU  44   4.410   1.740   2.805
  522    MD2  LEU  44           QD2      LEU  44   5.663   4.556   2.736
  523    QB   LEU  44           QB       LEU  44   5.391   2.353   0.251
  524    QD   LEU  44           QQD      LEU  44   5.037   3.148   2.770
  525    H    LEU  45           H        LEU  45   4.852   2.839  -2.513
  526    HA   LEU  45           HA       LEU  45   7.295   1.850  -3.502
  527   1HB   LEU  45          2HB       LEU  45   4.779   2.460  -5.048
  528   2HB   LEU  45          1HB       LEU  45   6.088   1.435  -5.590
  529    HG   LEU  45           HG       LEU  45   4.242   0.859  -3.272
  530   1HD1  LEU  45          3HD1      LEU  45   4.442  -0.309  -6.035
  531   2HD1  LEU  45          2HD1      LEU  45   3.424  -0.925  -4.743
  532   3HD1  LEU  45          1HD1      LEU  45   3.130   0.688  -5.410
  533   1HD2  LEU  45          3HD2      LEU  45   6.422  -0.809  -4.523
  534   2HD2  LEU  45          2HD2      LEU  45   6.477  -0.072  -2.920
  535   3HD2  LEU  45          1HD2      LEU  45   5.305  -1.343  -3.269
  536    MD1  LEU  45           QD1      LEU  45   3.665  -0.182  -5.396
  537    MD2  LEU  45           QD2      LEU  45   6.068  -0.741  -3.571
  538    QB   LEU  45           QB       LEU  45   5.434   1.947  -5.319
  539    QD   LEU  45           QQD      LEU  45   4.867  -0.462  -4.483
  540    H    ILE  46           H        ILE  46   5.338   4.578  -4.470
  541    HA   ILE  46           HA       ILE  46   6.957   5.538  -6.541
  542    HB   ILE  46           HB       ILE  46   5.048   7.098  -4.769
  543   1HG1  ILE  46          2HG1      ILE  46   4.546   5.730  -7.421
  544   2HG1  ILE  46          1HG1      ILE  46   4.035   5.101  -5.860
  545   1HG2  ILE  46          3HG2      ILE  46   6.537   8.549  -6.066
  546   2HG2  ILE  46          2HG2      ILE  46   6.084   7.696  -7.542
  547   3HG2  ILE  46          1HG2      ILE  46   4.880   8.645  -6.670
  548   1HD1  ILE  46          3HD1      ILE  46   3.119   7.664  -7.138
  549   2HD1  ILE  46          2HD1      ILE  46   2.199   6.163  -7.043
  550   3HD1  ILE  46          1HD1      ILE  46   2.588   7.055  -5.572
  551    MG   ILE  46           QG2      ILE  46   5.834   8.297  -6.759
  552    MD   ILE  46           QD1      ILE  46   2.635   6.960  -6.584
  553    QG   ILE  46           QG1      ILE  46   4.290   5.415  -6.641
  554    H    GLU  47           H        GLU  47   6.776   6.437  -3.125
  555    HA   GLU  47           HA       GLU  47   8.541   8.587  -3.056
  556   1HB   GLU  47          2HB       GLU  47   6.914   7.332  -1.296
  557   2HB   GLU  47          1HB       GLU  47   8.459   6.709  -0.753
  558   1HG   GLU  47          2HG       GLU  47   7.698   9.613  -0.958
  559   2HG   GLU  47          1HG       GLU  47   7.728   8.659   0.516
  560    QB   GLU  47           QB       GLU  47   7.687   7.021  -1.025
  561    QG   GLU  47           QG       GLU  47   7.713   9.136  -0.221
  562    H    LEU  48           H        LEU  48   9.148   5.144  -2.324
  563    HA   LEU  48           HA       LEU  48  11.911   5.536  -1.988
  564   1HB   LEU  48          2HB       LEU  48  10.230   3.081  -2.206
  565   2HB   LEU  48          1HB       LEU  48  11.962   2.933  -2.354
  566    HG   LEU  48           HG       LEU  48  11.307   2.417  -0.101
  567   1HD1  LEU  48          3HD1      LEU  48  13.435   3.531  -0.398
  568   2HD1  LEU  48          2HD1      LEU  48  12.660   5.103  -0.171
  569   3HD1  LEU  48          1HD1      LEU  48  12.703   3.949   1.150
  570   1HD2  LEU  48          1HD2      LEU  48  10.093   5.181   0.029
  571   2HD2  LEU  48          3HD2      LEU  48   9.203   3.659   0.032
  572   3HD2  LEU  48          2HD2      LEU  48  10.255   4.068   1.387
  573    MD1  LEU  48           QD1      LEU  48  12.933   4.194   0.194
  574    MD2  LEU  48           QD2      LEU  48   9.850   4.303   0.483
  575    QB   LEU  48           QB       LEU  48  11.096   3.007  -2.280
  576    QD   LEU  48           QQD      LEU  48  11.391   4.248   0.338
  577    H    LYS  49           H        LYS  49  10.050   4.604  -4.814
  578    HA   LYS  49           HA       LYS  49  12.407   4.058  -6.311
  579   1HB   LYS  49          2HB       LYS  49   9.571   4.483  -7.252
  580   2HB   LYS  49          1HB       LYS  49  10.898   4.048  -8.324
  581   1HG   LYS  49          2HG       LYS  49  11.278   2.007  -6.974
  582   2HG   LYS  49          1HG       LYS  49   9.877   2.432  -5.998
  583   1HD   LYS  49          2HD       LYS  49   8.436   2.249  -7.961
  584   2HD   LYS  49          1HD       LYS  49   9.841   1.883  -8.968
  585   1HE   LYS  49          2HE       LYS  49  10.280  -0.115  -7.582
  586   2HE   LYS  49          1HE       LYS  49   8.834   0.241  -6.648
  587   1HZ   LYS  49          1HZ       LYS  49   7.508  -0.092  -8.659
  588   2HZ   LYS  49          3HZ       LYS  49   8.908  -0.438  -9.544
  589   3HZ   LYS  49          2HZ       LYS  49   8.433  -1.437  -8.291
  590    QB   LYS  49           QB       LYS  49  10.235   4.266  -7.788
  591    QD   LYS  49           QD       LYS  49   9.139   2.066  -8.465
  592    QG   LYS  49           QG       LYS  49  10.578   2.220  -6.486
  593    QE   LYS  49           QE       LYS  49   9.557   0.063  -7.115
  594    QZ   LYS  49           QZ       LYS  49   8.283  -0.656  -8.831
  595    H    THR  50           H        THR  50  10.641   6.942  -5.683
  596    HA   THR  50           HA       THR  50  11.849   8.532  -7.693
  597    HB   THR  50           HB       THR  50  10.804   9.393  -4.959
  598    HG1  THR  50          1HG       THR  50   9.246   8.347  -6.348
  599   1HG2  THR  50          3HG2      THR  50  11.274  10.993  -7.477
  600   2HG2  THR  50          2HG2      THR  50  10.543  11.611  -5.994
  601   3HG2  THR  50          1HG2      THR  50  12.229  11.088  -6.000
  602    MG   THR  50           QG2      THR  50  11.349  11.231  -6.490
  603    H    LYS  51           H        LYS  51  12.719   7.680  -4.376
  604    HA   LYS  51           HA       LYS  51  15.072   9.264  -4.289
  605   1HB   LYS  51          2HB       LYS  51  13.962   7.073  -2.567
  606   2HB   LYS  51          1HB       LYS  51  15.575   7.708  -2.301
  607   1HG   LYS  51          2HG       LYS  51  14.675   9.904  -1.846
  608   2HG   LYS  51          1HG       LYS  51  13.049   9.351  -2.255
  609   1HD   LYS  51          2HD       LYS  51  12.944   7.927  -0.375
  610   2HD   LYS  51          1HD       LYS  51  14.675   8.052  -0.085
  611   1HE   LYS  51          2HE       LYS  51  13.264   9.338   1.515
  612   2HE   LYS  51          1HE       LYS  51  14.458  10.309   0.678
  613   1HZ   LYS  51          1HZ       LYS  51  11.571  10.148  -0.082
  614   2HZ   LYS  51          3HZ       LYS  51  12.267  11.379   0.822
  615   3HZ   LYS  51          2HZ       LYS  51  12.731  11.165  -0.756
  616    QB   LYS  51           QB       LYS  51  14.769   7.391  -2.434
  617    QD   LYS  51           QD       LYS  51  13.810   7.989  -0.230
  618    QG   LYS  51           QG       LYS  51  13.862   9.627  -2.051
  619    QE   LYS  51           QE       LYS  51  13.861   9.823   1.097
  620    QZ   LYS  51           QZ       LYS  51  12.190  10.897  -0.006
  621    H    LYS  52           H        LYS  52  14.536   5.760  -4.468
  622    HA   LYS  52           HA       LYS  52  15.765   3.992  -4.838
  623   1HB   LYS  52          2HB       LYS  52  16.999   3.766  -6.962
  624   2HB   LYS  52          1HB       LYS  52  15.423   4.489  -7.164
  625   1HG   LYS  52          2HG       LYS  52  16.451   6.685  -7.414
  626   2HG   LYS  52          1HG       LYS  52  18.040   5.972  -7.156
  627   1HD   LYS  52          2HD       LYS  52  16.270   4.934  -9.316
  628   2HD   LYS  52          1HD       LYS  52  17.178   6.421  -9.589
  629   1HE   LYS  52          2HE       LYS  52  18.398   4.533 -10.497
  630   2HE   LYS  52          1HE       LYS  52  19.277   5.172  -9.118
  631   1HZ   LYS  52          3HZ       LYS  52  17.572   2.730  -9.128
  632   2HZ   LYS  52          2HZ       LYS  52  19.228   2.751  -9.202
  633   3HZ   LYS  52          1HZ       LYS  52  18.466   3.265  -7.803
  634    QB   LYS  52           QB       LYS  52  16.211   4.128  -7.063
  635    QD   LYS  52           QD       LYS  52  16.724   5.677  -9.453
  636    QG   LYS  52           QG       LYS  52  17.246   6.328  -7.285
  637    QE   LYS  52           QE       LYS  52  18.837   4.853  -9.807
  638    QZ   LYS  52           QZ       LYS  52  18.422   2.915  -8.711
  639    H    LYS  53           H        LYS  53  17.738   6.663  -4.475
  640    HA   LYS  53           HA       LYS  53  20.295   5.681  -4.185
  641   1HB   LYS  53          2HB       LYS  53  20.668   7.693  -2.830
  642   2HB   LYS  53          1HB       LYS  53  19.788   8.004  -4.323
  643   1HG   LYS  53          2HG       LYS  53  17.677   8.062  -3.047
  644   2HG   LYS  53          1HG       LYS  53  18.592   7.814  -1.561
  645   1HD   LYS  53          2HD       LYS  53  19.809   9.894  -1.969
  646   2HD   LYS  53          1HD       LYS  53  18.893  10.135  -3.460
  647   1HE   LYS  53          2HE       LYS  53  16.815  10.132  -2.122
  648   2HE   LYS  53          1HE       LYS  53  17.796  10.008  -0.666
  649   1HZ   LYS  53          1HZ       LYS  53  18.825  12.127  -1.231
  650   2HZ   LYS  53          3HZ       LYS  53  17.883  12.242  -2.622
  651   3HZ   LYS  53          2HZ       LYS  53  17.165  12.306  -1.092
  652    QB   LYS  53           QB       LYS  53  20.228   7.848  -3.576
  653    QD   LYS  53           QD       LYS  53  19.351  10.014  -2.714
  654    QG   LYS  53           QG       LYS  53  18.135   7.938  -2.304
  655    QE   LYS  53           QE       LYS  53  17.305  10.070  -1.394
  656    QZ   LYS  53           QZ       LYS  53  17.957  12.225  -1.649
  657    H    ARG  54           H        ARG  54  17.678   4.998  -2.129
  658    HA   ARG  54           HA       ARG  54  19.378   4.559   0.188
  659   1HB   ARG  54          2HB       ARG  54  16.392   4.245  -0.143
  660   2HB   ARG  54          1HB       ARG  54  17.251   3.914   1.353
  661   1HG   ARG  54          2HG       ARG  54  17.100   6.574  -0.051
  662   2HG   ARG  54          1HG       ARG  54  16.211   6.108   1.402
  663   1HD   ARG  54          2HD       ARG  54  19.223   6.273   1.164
  664   2HD   ARG  54          1HD       ARG  54  18.191   7.467   1.926
  665    HE   ARG  54           HE       ARG  54  17.574   5.166   3.217
  666   1HH1  ARG  54          1HH1      ARG  54  20.606   6.903   2.637
  667   2HH1  ARG  54          2HH1      ARG  54  21.295   6.418   4.121
  668   1HH2  ARG  54          1HH2      ARG  54  18.586   4.465   5.215
  669   2HH2  ARG  54          2HH2      ARG  54  20.176   4.994   5.554
  670    QB   ARG  54           QB       ARG  54  16.822   4.080   0.605
  671    QG   ARG  54           QG       ARG  54  16.655   6.341   0.675
  672    QD   ARG  54           QD       ARG  54  18.707   6.870   1.545
  673    QH1  ARG  54           QH1      ARG  54  20.950   6.660   3.379
  674    QH2  ARG  54           QH2      ARG  54  19.381   4.729   5.384
  675    H    TYR  55           H        TYR  55  18.290   2.884  -2.511
  676    HA   TYR  55           HA       TYR  55  18.079   0.904  -3.227
  677   1HB   TYR  55          2HB       TYR  55  20.354   0.378  -1.341
  678   2HB   TYR  55          1HB       TYR  55  19.829  -0.604  -2.728
  679    HD1  TYR  55          1HD       TYR  55  21.557   2.409  -1.721
  680    HD2  TYR  55          2HD       TYR  55  20.025   0.219  -4.995
  681    HE1  TYR  55          1HE       TYR  55  22.859   3.844  -3.272
  682    HE2  TYR  55          2HE       TYR  55  21.310   1.626  -6.565
  683    HH   TYR  55           HH       TYR  55  22.236   3.949  -6.549
  684    QB   TYR  55           QB       TYR  55  20.091  -0.113  -2.035
  685    QD   TYR  55           QD       TYR  55  20.791   1.314  -3.358
  686    QE   TYR  55           QE       TYR  55  22.085   2.735  -4.918
  687    QR   TYR  55           QR       TYR  55  21.438   2.025  -4.138
  688    H    SER  56           H        SER  56  16.822   1.407  -0.421
  689    HA   SER  56           HA       SER  56  16.199  -1.211   0.489
  690   1HB   SER  56          2HB       SER  56  14.822   1.417   1.012
  691   2HB   SER  56          1HB       SER  56  14.577  -0.071   1.931
  692    HG   SER  56           HG       SER  56  16.538   0.038   2.723
  693    QB   SER  56           QB       SER  56  14.699   0.673   1.471
  694    H    LEU  57           H        LEU  57  15.534  -0.124  -2.309
  695    HA   LEU  57           HA       LEU  57  12.785  -0.905  -2.697
  696   1HB   LEU  57          2HB       LEU  57  15.090  -0.482  -4.639
  697   2HB   LEU  57          1HB       LEU  57  13.464  -0.868  -5.138
  698    HG   LEU  57           HG       LEU  57  12.720   1.359  -4.280
  699   1HD1  LEU  57          2HD1      LEU  57  14.467   1.688  -2.569
  700   2HD1  LEU  57          1HD1      LEU  57  15.655   1.910  -3.851
  701   3HD1  LEU  57          3HD1      LEU  57  14.324   3.059  -3.668
  702   1HD2  LEU  57          2HD2      LEU  57  14.990   1.382  -6.256
  703   2HD2  LEU  57          1HD2      LEU  57  13.289   1.103  -6.613
  704   3HD2  LEU  57          3HD2      LEU  57  13.835   2.684  -6.049
  705    MD1  LEU  57           QD1      LEU  57  14.815   2.219  -3.363
  706    MD2  LEU  57           QD2      LEU  57  14.038   1.723  -6.306
  707    QB   LEU  57           QB       LEU  57  14.277  -0.675  -4.889
  708    QD   LEU  57           QQD      LEU  57  14.427   1.971  -4.834
  709    H    LEU  58           H        LEU  58  15.945  -2.158  -2.501
  710    HA   LEU  58           HA       LEU  58  15.224  -4.819  -3.454
  711   1HB   LEU  58          2HB       LEU  58  17.932  -3.568  -2.914
  712   2HB   LEU  58          1HB       LEU  58  17.693  -5.231  -3.371
  713    HG   LEU  58           HG       LEU  58  16.806  -4.410  -5.585
  714   1HD1  LEU  58          1HD1      LEU  58  17.882  -1.754  -4.646
  715   2HD1  LEU  58          3HD1      LEU  58  17.363  -2.142  -6.288
  716   3HD1  LEU  58          2HD1      LEU  58  16.192  -2.145  -4.968
  717   1HD2  LEU  58          2HD2      LEU  58  19.063  -5.236  -5.325
  718   2HD2  LEU  58          1HD2      LEU  58  19.015  -3.902  -6.478
  719   3HD2  LEU  58          3HD2      LEU  58  19.614  -3.632  -4.843
  720    MD1  LEU  58           QD1      LEU  58  17.146  -2.014  -5.301
  721    MD2  LEU  58           QD2      LEU  58  19.231  -4.257  -5.549
  722    QB   LEU  58           QB       LEU  58  17.812  -4.399  -3.143
  723    QD   LEU  58           QQD      LEU  58  18.188  -3.135  -5.425
  724    H    GLU  59           H        GLU  59  17.130  -3.170  -0.917
  725    HA   GLU  59           HA       GLU  59  16.928  -5.480   0.786
  726   1HB   GLU  59          2HB       GLU  59  18.674  -4.302   2.110
  727   2HB   GLU  59          1HB       GLU  59  19.142  -4.575   0.448
  728   1HG   GLU  59          2HG       GLU  59  18.489  -2.200  -0.045
  729   2HG   GLU  59          1HG       GLU  59  18.245  -1.976   1.683
  730    QB   GLU  59           QB       GLU  59  18.908  -4.439   1.279
  731    QG   GLU  59           QG       GLU  59  18.367  -2.088   0.819
  732    H    HIS  60           H        HIS  60  17.212  -4.227   3.142
  733    HA   HIS  60           HA       HIS  60  14.461  -3.341   3.672
  734   1HB   HIS  60          2HB       HIS  60  16.599  -4.524   5.412
  735   2HB   HIS  60          1HB       HIS  60  15.209  -3.729   6.115
  736    HD1  HIS  60          1HD       HIS  60  16.377  -7.015   5.119
  737    HD2  HIS  60          2HD       HIS  60  12.715  -5.027   5.200
  738    HE1  HIS  60          1HE       HIS  60  14.624  -8.785   5.127
  739    QB   HIS  60           QB       HIS  60  15.904  -4.126   5.763
  740    H    HIS  61           H        HIS  61  14.424  -1.947   5.799
  741    HA   HIS  61           HA       HIS  61  16.177   0.382   5.415
  742   1HB   HIS  61          2HB       HIS  61  13.392   0.152   6.565
  743   2HB   HIS  61          1HB       HIS  61  14.391   1.569   6.799
  744    HD1  HIS  61          1HD       HIS  61  11.997   0.059   4.461
  745    HD2  HIS  61          2HD       HIS  61  14.949   2.978   4.372
  746    HE1  HIS  61          1HE       HIS  61  11.485   1.504   2.470
  747    QB   HIS  61           QB       HIS  61  13.891   0.860   6.682
  748    H    HIS  62           H        HIS  62  14.257  -1.034   8.037
  749    HA   HIS  62           HA       HIS  62  16.427  -0.354   9.868
  750   1HB   HIS  62          2HB       HIS  62  14.722  -0.356  11.673
  751   2HB   HIS  62          1HB       HIS  62  14.360   0.815  10.420
  752    HD1  HIS  62          1HD       HIS  62  12.668  -1.380  12.560
  753    HD2  HIS  62          2HD       HIS  62  12.352  -0.549   8.505
  754    HE1  HIS  62          1HE       HIS  62  10.357  -2.117  11.866
  755    QB   HIS  62           QB       HIS  62  14.541   0.230  11.046
  756    H    HIS  63           H        HIS  63  16.419  -2.628   8.243
  757    HA   HIS  63           HA       HIS  63  17.046  -4.645  10.169
  758   1HB   HIS  63          2HB       HIS  63  14.539  -4.936   9.697
  759   2HB   HIS  63          1HB       HIS  63  14.952  -5.192   8.013
  760    HD1  HIS  63          1HD       HIS  63  15.788  -7.574   7.364
  761    HD2  HIS  63          2HD       HIS  63  15.208  -7.031  11.448
  762    HE1  HIS  63          1HE       HIS  63  15.898  -9.857   8.393
  763    QB   HIS  63           QB       HIS  63  14.745  -5.064   8.855
  764    H    HIS  64           H        HIS  64  18.015  -6.542   8.684
  765    HA   HIS  64           HA       HIS  64  18.779  -5.489   6.082
  766   1HB   HIS  64          2HB       HIS  64  20.646  -5.184   7.785
  767   2HB   HIS  64          1HB       HIS  64  20.708  -6.940   7.915
  768    HD1  HIS  64          1HD       HIS  64  21.811  -8.226   5.884
  769    HD2  HIS  64          2HD       HIS  64  21.658  -4.092   5.459
  770    HE1  HIS  64          1HE       HIS  64  23.282  -7.663   3.924
  771    QB   HIS  64           QB       HIS  64  20.677  -6.062   7.850

  No H/Q in entry =         771
  Start of MODEL   10
    1    H1   MET   1          1HT       MET   1  14.727  -5.978  -0.898
    2    H2   MET   1          3HT       MET   1  14.513  -4.833  -2.098
    3    H3   MET   1          2HT       MET   1  15.273  -4.414  -0.657
    4    HA   MET   1           HA       MET   1  13.269  -4.851   0.592
    5   1HB   MET   1          2HB       MET   1  12.886  -2.948  -1.725
    6   2HB   MET   1          1HB       MET   1  11.759  -3.076  -0.392
    7   1HG   MET   1          2HG       MET   1  13.139  -1.194  -0.028
    8   2HG   MET   1          1HG       MET   1  13.581  -2.410   1.154
    9   1HE   MET   1          1HE       MET   1  14.579  -1.979  -2.679
   10   2HE   MET   1          3HE       MET   1  14.695  -0.351  -2.011
   11   3HE   MET   1          2HE       MET   1  16.151  -1.207  -2.505
   12    QB   MET   1           QB       MET   1  12.322  -3.012  -1.058
   13    QG   MET   1           QG       MET   1  13.360  -1.802   0.563
   14    ME   MET   1           QE       MET   1  15.142  -1.179  -2.398
   15    H    ASN   2           H        ASN   2  12.921  -5.499  -2.853
   16    HA   ASN   2           HA       ASN   2  11.514  -6.648  -4.067
   17   1HB   ASN   2          2HB       ASN   2  10.527  -7.841  -1.454
   18   2HB   ASN   2          1HB       ASN   2   9.914  -8.314  -3.025
   19   1HD2  ASN   2          1HD2      ASN   2  12.574  -8.543  -0.804
   20   2HD2  ASN   2          2HD2      ASN   2  13.447  -9.721  -1.694
   21    QB   ASN   2           QB       ASN   2  10.220  -8.078  -2.239
   22    QD   ASN   2           QD2      ASN   2  13.011  -9.132  -1.249
   23    H    VAL   3           H        VAL   3  10.603  -4.816  -4.816
   24    HA   VAL   3           HA       VAL   3   8.417  -3.586  -3.477
   25    HB   VAL   3           HB       VAL   3   8.107  -2.242  -5.539
   26   1HG1  VAL   3          2HG1      VAL   3  10.952  -2.420  -4.555
   27   2HG1  VAL   3          1HG1      VAL   3  10.271  -1.064  -5.457
   28   3HG1  VAL   3          3HG1      VAL   3   9.655  -1.457  -3.853
   29   1HG2  VAL   3          3HG2      VAL   3   8.756  -3.914  -7.211
   30   2HG2  VAL   3          2HG2      VAL   3   9.702  -2.439  -7.400
   31   3HG2  VAL   3          1HG2      VAL   3  10.421  -3.856  -6.634
   32    MG1  VAL   3           QG1      VAL   3  10.293  -1.647  -4.622
   33    MG2  VAL   3           QG2      VAL   3   9.626  -3.403  -7.082
   34    QG   VAL   3           QQG      VAL   3   9.959  -2.525  -5.852
   35    H    THR   4           H        THR   4   8.744  -6.196  -5.626
   36    HA   THR   4           HA       THR   4   6.142  -6.229  -6.683
   37    HB   THR   4           HB       THR   4   8.003  -7.581  -7.648
   38    HG1  THR   4          1HG       THR   4   5.650  -8.163  -7.825
   39   1HG2  THR   4          1HG2      THR   4   9.009  -8.366  -5.542
   40   2HG2  THR   4          3HG2      THR   4   7.593  -9.369  -5.243
   41   3HG2  THR   4          2HG2      THR   4   8.647  -9.719  -6.615
   42    MG   THR   4           QG2      THR   4   8.416  -9.152  -5.800
   43    H    LYS   5           H        LYS   5   7.425  -7.271  -3.599
   44    HA   LYS   5           HA       LYS   5   5.056  -8.745  -2.894
   45   1HB   LYS   5          2HB       LYS   5   7.338  -7.786  -1.161
   46   2HB   LYS   5          1HB       LYS   5   6.043  -8.845  -0.623
   47   1HG   LYS   5          2HG       LYS   5   6.753 -10.519  -2.275
   48   2HG   LYS   5          1HG       LYS   5   8.083  -9.467  -2.755
   49   1HD   LYS   5          2HD       LYS   5   8.942  -9.550  -0.447
   50   2HD   LYS   5          1HD       LYS   5   7.633 -10.653  -0.015
   51   1HE   LYS   5          2HE       LYS   5   8.462 -12.243  -1.708
   52   2HE   LYS   5          1HE       LYS   5   9.792 -11.142  -2.053
   53   1HZ   LYS   5          2HZ       LYS   5  10.499 -11.383   0.278
   54   2HZ   LYS   5          1HZ       LYS   5   9.287 -12.504   0.534
   55   3HZ   LYS   5          3HZ       LYS   5  10.536 -12.841  -0.536
   56    QB   LYS   5           QB       LYS   5   6.690  -8.316  -0.892
   57    QD   LYS   5           QD       LYS   5   8.288 -10.102  -0.231
   58    QG   LYS   5           QG       LYS   5   7.418  -9.993  -2.515
   59    QE   LYS   5           QE       LYS   5   9.127 -11.693  -1.880
   60    QZ   LYS   5           QZ       LYS   5  10.107 -12.242   0.092
   61    H    LEU   6           H        LEU   6   6.273  -5.553  -2.534
   62    HA   LEU   6           HA       LEU   6   4.312  -4.634  -0.689
   63   1HB   LEU   6          2HB       LEU   6   6.549  -3.559  -1.128
   64   2HB   LEU   6          1HB       LEU   6   5.935  -3.095  -2.700
   65    HG   LEU   6           HG       LEU   6   4.313  -1.602  -1.675
   66   1HD1  LEU   6          1HD1      LEU   6   5.489  -2.529   0.949
   67   2HD1  LEU   6          3HD1      LEU   6   4.361  -1.194   0.744
   68   3HD1  LEU   6          2HD1      LEU   6   3.845  -2.835   0.371
   69   1HD2  LEU   6          3HD2      LEU   6   6.549  -0.766  -2.172
   70   2HD2  LEU   6          2HD2      LEU   6   5.880   0.018  -0.740
   71   3HD2  LEU   6          1HD2      LEU   6   7.096  -1.248  -0.568
   72    MD1  LEU   6           QD1      LEU   6   4.565  -2.186   0.688
   73    MD2  LEU   6           QD2      LEU   6   6.508  -0.665  -1.160
   74    QB   LEU   6           QB       LEU   6   6.242  -3.327  -1.914
   75    QD   LEU   6           QQD      LEU   6   5.537  -1.426  -0.236
   76    H    ASN   7           H        ASN   7   4.732  -4.579  -4.179
   77    HA   ASN   7           HA       ASN   7   2.416  -3.253  -4.958
   78   1HB   ASN   7          2HB       ASN   7   4.222  -3.759  -6.522
   79   2HB   ASN   7          1HB       ASN   7   3.926  -5.478  -6.347
   80   1HD2  ASN   7          1HD2      ASN   7   1.423  -2.972  -6.739
   81   2HD2  ASN   7          2HD2      ASN   7   0.881  -3.542  -8.261
   82    QB   ASN   7           QB       ASN   7   4.074  -4.618  -6.434
   83    QD   ASN   7           QD2      ASN   7   1.152  -3.257  -7.500
   84    H    ASP   8           H        ASP   8   3.010  -6.675  -4.330
   85    HA   ASP   8           HA       ASP   8   0.514  -7.732  -4.953
   86   1HB   ASP   8          2HB       ASP   8   2.376  -9.199  -4.509
   87   2HB   ASP   8          1HB       ASP   8   2.521  -8.598  -2.864
   88    QB   ASP   8           QB       ASP   8   2.448  -8.898  -3.686
   89    H    ARG   9           H        ARG   9   1.572  -6.089  -2.063
   90    HA   ARG   9           HA       ARG   9  -0.739  -6.637  -0.477
   91   1HB   ARG   9          2HB       ARG   9   1.282  -4.400  -0.283
   92   2HB   ARG   9          1HB       ARG   9   0.056  -4.748   0.926
   93   1HG   ARG   9          2HG       ARG   9   1.060  -6.894   1.385
   94   2HG   ARG   9          1HG       ARG   9   2.232  -6.644   0.087
   95   1HD   ARG   9          2HD       ARG   9   3.203  -6.175   2.282
   96   2HD   ARG   9          1HD       ARG   9   3.159  -4.735   1.270
   97    HE   ARG   9           HE       ARG   9   0.841  -4.826   2.816
   98   1HH1  ARG   9          1HH1      ARG   9   4.326  -4.277   3.262
   99   2HH1  ARG   9          2HH1      ARG   9   4.134  -3.290   4.637
  100   1HH2  ARG   9          1HH2      ARG   9   0.585  -3.525   4.681
  101   2HH2  ARG   9          2HH2      ARG   9   1.948  -2.878   5.504
  102    QB   ARG   9           QB       ARG   9   0.669  -4.574   0.321
  103    QG   ARG   9           QG       ARG   9   1.646  -6.769   0.736
  104    QD   ARG   9           QD       ARG   9   3.181  -5.455   1.776
  105    QH1  ARG   9           QH1      ARG   9   4.230  -3.784   3.949
  106    QH2  ARG   9           QH2      ARG   9   1.266  -3.201   5.092
  107    H    ILE  10           H        ILE  10   0.254  -3.981  -2.548
  108    HA   ILE  10           HA       ILE  10  -1.958  -2.269  -2.183
  109    HB   ILE  10           HB       ILE  10  -0.257  -2.667  -4.670
  110   1HG1  ILE  10          2HG1      ILE  10   0.042  -0.655  -2.435
  111   2HG1  ILE  10          1HG1      ILE  10   1.047  -2.085  -2.648
  112   1HG2  ILE  10          1HG2      ILE  10  -2.330  -1.490  -5.173
  113   2HG2  ILE  10          3HG2      ILE  10  -2.000  -0.329  -3.888
  114   3HG2  ILE  10          2HG2      ILE  10  -0.949  -0.399  -5.305
  115   1HD1  ILE  10          2HD1      ILE  10   0.838   0.233  -4.552
  116   2HD1  ILE  10          1HD1      ILE  10   2.164  -0.086  -3.436
  117   3HD1  ILE  10          3HD1      ILE  10   1.852  -1.195  -4.773
  118    MG   ILE  10           QG2      ILE  10  -1.760  -0.739  -4.789
  119    MD   ILE  10           QD1      ILE  10   1.618  -0.349  -4.254
  120    QG   ILE  10           QG1      ILE  10   0.545  -1.370  -2.542
  121    H    GLU  11           H        GLU  11  -1.274  -4.789  -4.500
  122    HA   GLU  11           HA       GLU  11  -3.570  -4.714  -6.067
  123   1HB   GLU  11          2HB       GLU  11  -1.393  -5.900  -6.490
  124   2HB   GLU  11          1HB       GLU  11  -1.903  -7.115  -5.339
  125   1HG   GLU  11          2HG       GLU  11  -3.808  -7.661  -6.765
  126   2HG   GLU  11          1HG       GLU  11  -3.270  -6.447  -7.925
  127    QB   GLU  11           QB       GLU  11  -1.648  -6.507  -5.915
  128    QG   GLU  11           QG       GLU  11  -3.539  -7.054  -7.345
  129    H    ALA  12           H        ALA  12  -2.861  -6.452  -3.069
  130    HA   ALA  12           HA       ALA  12  -5.320  -7.880  -2.937
  131   1HB   ALA  12          1HB       ALA  12  -3.276  -8.602  -1.808
  132   2HB   ALA  12          2HB       ALA  12  -4.630  -8.450  -0.682
  133   3HB   ALA  12          3HB       ALA  12  -3.376  -7.210  -0.734
  134    MB   ALA  12           QB       ALA  12  -3.761  -8.087  -1.075
  135    H    LYS  13           H        LYS  13  -4.219  -4.783  -1.777
  136    HA   LYS  13           HA       LYS  13  -6.383  -4.340   0.017
  137   1HB   LYS  13          2HB       LYS  13  -4.229  -3.175   0.231
  138   2HB   LYS  13          1HB       LYS  13  -4.478  -2.397  -1.314
  139   1HG   LYS  13          2HG       LYS  13  -4.892  -0.858   0.533
  140   2HG   LYS  13          1HG       LYS  13  -6.359  -1.135  -0.398
  141   1HD   LYS  13          2HD       LYS  13  -6.768  -1.096   2.037
  142   2HD   LYS  13          1HD       LYS  13  -7.205  -2.634   1.308
  143   1HE   LYS  13          2HE       LYS  13  -5.160  -3.644   2.122
  144   2HE   LYS  13          1HE       LYS  13  -4.608  -2.085   2.745
  145   1HZ   LYS  13          1HZ       LYS  13  -7.119  -3.372   3.652
  146   2HZ   LYS  13          3HZ       LYS  13  -5.620  -3.637   4.395
  147   3HZ   LYS  13          2HZ       LYS  13  -6.253  -2.081   4.358
  148    QB   LYS  13           QB       LYS  13  -4.354  -2.786  -0.541
  149    QD   LYS  13           QD       LYS  13  -6.987  -1.865   1.672
  150    QG   LYS  13           QG       LYS  13  -5.625  -0.996   0.068
  151    QE   LYS  13           QE       LYS  13  -4.884  -2.864   2.434
  152    QZ   LYS  13           QZ       LYS  13  -6.331  -3.030   4.135
  153    H    LYS  14           H        LYS  14  -5.732  -3.650  -3.306
  154    HA   LYS  14           HA       LYS  14  -7.988  -2.129  -3.931
  155   1HB   LYS  14          2HB       LYS  14  -6.292  -3.994  -5.556
  156   2HB   LYS  14          1HB       LYS  14  -7.621  -3.077  -6.257
  157   1HG   LYS  14          2HG       LYS  14  -6.554  -1.017  -5.728
  158   2HG   LYS  14          1HG       LYS  14  -5.313  -1.855  -4.789
  159   1HD   LYS  14          2HD       LYS  14  -4.379  -2.820  -6.654
  160   2HD   LYS  14          1HD       LYS  14  -5.767  -2.451  -7.687
  161   1HE   LYS  14          2HE       LYS  14  -3.859  -0.451  -6.479
  162   2HE   LYS  14          1HE       LYS  14  -3.859  -0.994  -8.162
  163   1HZ   LYS  14          1HZ       LYS  14  -6.160  -0.095  -8.327
  164   2HZ   LYS  14          3HZ       LYS  14  -5.984   0.606  -6.804
  165   3HZ   LYS  14          2HZ       LYS  14  -4.998   1.072  -8.077
  166    QB   LYS  14           QB       LYS  14  -6.956  -3.536  -5.907
  167    QD   LYS  14           QD       LYS  14  -5.073  -2.636  -7.170
  168    QG   LYS  14           QG       LYS  14  -5.934  -1.436  -5.258
  169    QE   LYS  14           QE       LYS  14  -3.859  -0.722  -7.320
  170    QZ   LYS  14           QZ       LYS  14  -5.714   0.528  -7.736
  171    H    LYS  15           H        LYS  15  -7.523  -5.644  -3.826
  172    HA   LYS  15           HA       LYS  15 -10.063  -6.348  -4.888
  173   1HB   LYS  15          2HB       LYS  15  -8.391  -7.922  -2.925
  174   2HB   LYS  15          1HB       LYS  15  -9.700  -8.552  -3.902
  175   1HG   LYS  15          2HG       LYS  15  -7.041  -7.547  -4.865
  176   2HG   LYS  15          1HG       LYS  15  -7.601  -9.214  -4.823
  177   1HD   LYS  15          2HD       LYS  15  -9.404  -8.579  -6.420
  178   2HD   LYS  15          1HD       LYS  15  -8.680  -6.971  -6.528
  179   1HE   LYS  15          2HE       LYS  15  -7.405  -9.592  -7.292
  180   2HE   LYS  15          1HE       LYS  15  -7.938  -8.312  -8.379
  181   1HZ   LYS  15          1HZ       LYS  15  -5.772  -8.097  -6.375
  182   2HZ   LYS  15          3HZ       LYS  15  -5.557  -8.277  -8.040
  183   3HZ   LYS  15          2HZ       LYS  15  -6.248  -6.862  -7.430
  184    QB   LYS  15           QB       LYS  15  -9.046  -8.237  -3.414
  185    QD   LYS  15           QD       LYS  15  -9.042  -7.775  -6.474
  186    QG   LYS  15           QG       LYS  15  -7.321  -8.380  -4.844
  187    QE   LYS  15           QE       LYS  15  -7.671  -8.952  -7.836
  188    QZ   LYS  15           QZ       LYS  15  -5.859  -7.745  -7.282
  189    H    GLU  16           H        GLU  16  -8.925  -5.450  -1.784
  190    HA   GLU  16           HA       GLU  16 -11.140  -6.380  -0.238
  191   1HB   GLU  16          2HB       GLU  16  -8.865  -6.069   0.686
  192   2HB   GLU  16          1HB       GLU  16  -8.978  -4.352   0.369
  193   1HG   GLU  16          2HG       GLU  16 -10.726  -4.122   2.005
  194   2HG   GLU  16          1HG       GLU  16 -10.755  -5.867   2.264
  195    QB   GLU  16           QB       GLU  16  -8.922  -5.210   0.528
  196    QG   GLU  16           QG       GLU  16 -10.741  -4.995   2.135
  197    H    LEU  17           H        LEU  17  -9.997  -3.288  -1.441
  198    HA   LEU  17           HA       LEU  17 -12.120  -1.710  -0.642
  199   1HB   LEU  17          2HB       LEU  17  -9.948  -1.525  -2.562
  200   2HB   LEU  17          1HB       LEU  17 -11.328  -0.562  -3.007
  201    HG   LEU  17           HG       LEU  17  -9.717   0.791  -1.785
  202   1HD1  LEU  17          1HD1      LEU  17 -12.062   1.302  -1.431
  203   2HD1  LEU  17          3HD1      LEU  17 -12.117   0.205  -0.055
  204   3HD1  LEU  17          2HD1      LEU  17 -11.115   1.650   0.013
  205   1HD2  LEU  17          2HD2      LEU  17  -8.611  -1.014  -0.535
  206   2HD2  LEU  17          1HD2      LEU  17  -9.098   0.313   0.527
  207   3HD2  LEU  17          3HD2      LEU  17 -10.041  -1.175   0.482
  208    MD1  LEU  17           QD1      LEU  17 -11.765   1.052  -0.491
  209    MD2  LEU  17           QD2      LEU  17  -9.250  -0.625   0.158
  210    QB   LEU  17           QB       LEU  17 -10.638  -1.044  -2.785
  211    QD   LEU  17           QQD      LEU  17 -10.507   0.213  -0.166
  212    H    ILE  18           H        ILE  18 -11.702  -3.379  -3.754
  213    HA   ILE  18           HA       ILE  18 -14.096  -2.581  -4.938
  214    HB   ILE  18           HB       ILE  18 -12.604  -5.208  -5.291
  215   1HG1  ILE  18          2HG1      ILE  18 -12.572  -2.691  -6.977
  216   2HG1  ILE  18          1HG1      ILE  18 -11.319  -3.160  -5.834
  217   1HG2  ILE  18          1HG2      ILE  18 -14.910  -5.456  -6.078
  218   2HG2  ILE  18          3HG2      ILE  18 -14.735  -4.015  -7.079
  219   3HG2  ILE  18          2HG2      ILE  18 -13.784  -5.454  -7.435
  220   1HD1  ILE  18          3HD1      ILE  18 -12.106  -4.666  -8.322
  221   2HD1  ILE  18          2HD1      ILE  18 -10.673  -3.654  -8.127
  222   3HD1  ILE  18          1HD1      ILE  18 -10.838  -5.136  -7.189
  223    MG   ILE  18           QG2      ILE  18 -14.476  -4.975  -6.864
  224    MD   ILE  18           QD1      ILE  18 -11.206  -4.486  -7.879
  225    QG   ILE  18           QG1      ILE  18 -11.945  -2.925  -6.406
  226    H    TYR  19           H        TYR  19 -13.457  -5.214  -2.724
  227    HA   TYR  19           HA       TYR  19 -15.989  -6.468  -2.791
  228   1HB   TYR  19          2HB       TYR  19 -13.945  -7.547  -1.891
  229   2HB   TYR  19          1HB       TYR  19 -13.915  -6.385  -0.576
  230    HD1  TYR  19          1HD       TYR  19 -15.296  -9.484  -1.793
  231    HD2  TYR  19          2HD       TYR  19 -15.741  -6.452   1.154
  232    HE1  TYR  19          1HE       TYR  19 -16.717 -10.978  -0.467
  233    HE2  TYR  19          2HE       TYR  19 -17.159  -7.938   2.484
  234    HH   TYR  19           HH       TYR  19 -17.396 -11.210   1.922
  235    QB   TYR  19           QB       TYR  19 -13.930  -6.966  -1.233
  236    QD   TYR  19           QD       TYR  19 -15.518  -7.968  -0.320
  237    QE   TYR  19           QE       TYR  19 -16.938  -9.458   1.009
  238    QR   TYR  19           QR       TYR  19 -16.228  -8.713   0.345
  239    H    LEU  20           H        LEU  20 -14.581  -4.023  -0.666
  240    HA   LEU  20           HA       LEU  20 -16.769  -3.759   1.086
  241   1HB   LEU  20          2HB       LEU  20 -14.627  -1.754   0.408
  242   2HB   LEU  20          1HB       LEU  20 -15.704  -1.667   1.784
  243    HG   LEU  20           HG       LEU  20 -13.637  -3.831   1.343
  244   1HD1  LEU  20          2HD1      LEU  20 -12.623  -1.699   1.759
  245   2HD1  LEU  20          1HD1      LEU  20 -13.646  -1.492   3.186
  246   3HD1  LEU  20          3HD1      LEU  20 -12.443  -2.778   3.143
  247   1HD2  LEU  20          3HD2      LEU  20 -15.411  -3.233   3.705
  248   2HD2  LEU  20          2HD2      LEU  20 -15.542  -4.629   2.636
  249   3HD2  LEU  20          1HD2      LEU  20 -14.121  -4.437   3.660
  250    MD1  LEU  20           QD1      LEU  20 -12.904  -1.990   2.696
  251    MD2  LEU  20           QD2      LEU  20 -15.025  -4.100   3.333
  252    QB   LEU  20           QB       LEU  20 -15.165  -1.710   1.096
  253    QD   LEU  20           QQD      LEU  20 -13.964  -3.045   3.015
  254    H    VAL  21           H        VAL  21 -15.843  -1.990  -1.816
  255    HA   VAL  21           HA       VAL  21 -17.924  -0.124  -1.759
  256    HB   VAL  21           HB       VAL  21 -16.469  -1.263  -4.176
  257   1HG1  VAL  21          3HG1      VAL  21 -18.588  -0.222  -4.876
  258   2HG1  VAL  21          2HG1      VAL  21 -18.167   1.243  -3.992
  259   3HG1  VAL  21          1HG1      VAL  21 -17.210   0.752  -5.391
  260   1HG2  VAL  21          2HG2      VAL  21 -16.027   1.280  -2.617
  261   2HG2  VAL  21          1HG2      VAL  21 -14.992  -0.151  -2.608
  262   3HG2  VAL  21          3HG2      VAL  21 -15.158   0.808  -4.075
  263    MG1  VAL  21           QG1      VAL  21 -17.988   0.591  -4.753
  264    MG2  VAL  21           QG2      VAL  21 -15.392   0.646  -3.100
  265    QG   VAL  21           QQG      VAL  21 -16.690   0.618  -3.926
  266    H    GLU  22           H        GLU  22 -17.888  -3.442  -2.858
  267    HA   GLU  22           HA       GLU  22 -20.425  -3.335  -4.066
  268   1HB   GLU  22          2HB       GLU  22 -18.875  -5.684  -3.023
  269   2HB   GLU  22          1HB       GLU  22 -20.437  -5.846  -3.818
  270   1HG   GLU  22          2HG       GLU  22 -17.883  -4.773  -4.983
  271   2HG   GLU  22          1HG       GLU  22 -18.718  -6.262  -5.420
  272    QB   GLU  22           QB       GLU  22 -19.656  -5.765  -3.421
  273    QG   GLU  22           QG       GLU  22 -18.301  -5.518  -5.202
  274    H    LYS  23           H        LYS  23 -19.490  -4.377  -0.800
  275    HA   LYS  23           HA       LYS  23 -22.271  -4.780  -0.186
  276   1HB   LYS  23          2HB       LYS  23 -19.814  -5.277   1.444
  277   2HB   LYS  23          1HB       LYS  23 -21.410  -5.314   2.180
  278   1HG   LYS  23          2HG       LYS  23 -22.087  -7.040   0.531
  279   2HG   LYS  23          1HG       LYS  23 -20.437  -7.046  -0.084
  280   1HD   LYS  23          2HD       LYS  23 -19.585  -7.825   2.029
  281   2HD   LYS  23          1HD       LYS  23 -21.164  -7.622   2.788
  282   1HE   LYS  23          2HE       LYS  23 -20.834  -9.953   2.342
  283   2HE   LYS  23          1HE       LYS  23 -22.068  -9.345   1.248
  284   1HZ   LYS  23          2HZ       LYS  23 -20.307  -9.189  -0.483
  285   2HZ   LYS  23          1HZ       LYS  23 -19.236  -9.913   0.613
  286   3HZ   LYS  23          3HZ       LYS  23 -20.576 -10.758   0.046
  287    QB   LYS  23           QB       LYS  23 -20.612  -5.296   1.812
  288    QD   LYS  23           QD       LYS  23 -20.374  -7.723   2.409
  289    QG   LYS  23           QG       LYS  23 -21.262  -7.043   0.224
  290    QE   LYS  23           QE       LYS  23 -21.451  -9.649   1.795
  291    QZ   LYS  23           QZ       LYS  23 -20.040  -9.953   0.059
  292    H    TYR  24           H        TYR  24 -19.893  -2.363   0.793
  293    HA   TYR  24           HA       TYR  24 -21.908  -1.088   2.500
  294   1HB   TYR  24          2HB       TYR  24 -19.051  -0.289   1.872
  295   2HB   TYR  24          1HB       TYR  24 -20.111   0.551   2.985
  296    HD1  TYR  24          1HD       TYR  24 -18.375  -2.681   2.412
  297    HD2  TYR  24          2HD       TYR  24 -20.203  -0.082   5.228
  298    HE1  TYR  24          1HE       TYR  24 -17.478  -4.047   4.239
  299    HE2  TYR  24          2HE       TYR  24 -19.319  -1.444   7.066
  300    HH   TYR  24           HH       TYR  24 -18.520  -3.660   7.465
  301    QB   TYR  24           QB       TYR  24 -19.581   0.131   2.429
  302    QD   TYR  24           QD       TYR  24 -19.289  -1.382   3.820
  303    QE   TYR  24           QE       TYR  24 -18.398  -2.745   5.652
  304    QR   TYR  24           QR       TYR  24 -18.844  -2.063   4.736
  305    H    GLY  25           H        GLY  25 -19.879  -0.389  -0.280
  306   1HA   GLY  25          1HA       GLY  25 -21.676   1.822  -0.959
  307   2HA   GLY  25          2HA       GLY  25 -20.994   0.731  -2.169
  308    QA   GLY  25           QA       GLY  25 -21.335   1.276  -1.564
  309    H    PHE  26           H        PHE  26 -20.590   3.460  -2.241
  310    HA   PHE  26           HA       PHE  26 -17.753   3.641  -1.573
  311   1HB   PHE  26          2HB       PHE  26 -17.558   5.228  -3.512
  312   2HB   PHE  26          1HB       PHE  26 -18.021   3.606  -3.996
  313    HD1  PHE  26          1HD       PHE  26 -20.395   3.163  -4.629
  314    HD2  PHE  26          2HD       PHE  26 -18.916   7.090  -3.960
  315    HE1  PHE  26          1HE       PHE  26 -22.309   4.083  -5.840
  316    HE2  PHE  26          2HE       PHE  26 -20.839   8.018  -5.169
  317    HZ   PHE  26           HZ       PHE  26 -22.543   6.520  -6.110
  318    QB   PHE  26           QB       PHE  26 -17.790   4.417  -3.754
  319    QD   PHE  26           QD       PHE  26 -19.656   5.126  -4.294
  320    QE   PHE  26           QE       PHE  26 -21.574   6.050  -5.504
  321    QR   PHE  26           QR       PHE  26 -21.000   5.775  -5.141
  322    H    THR  27           H        THR  27 -17.102   6.088  -1.441
  323    HA   THR  27           HA       THR  27 -17.017   7.810  -0.164
  324    HB   THR  27           HB       THR  27 -19.062   9.272   0.101
  325    HG1  THR  27          1HG       THR  27 -20.329   7.121  -0.754
  326   1HG2  THR  27          1HG2      THR  27 -18.173   8.495  -2.670
  327   2HG2  THR  27          3HG2      THR  27 -19.052   9.972  -2.285
  328   3HG2  THR  27          2HG2      THR  27 -17.441   9.710  -1.621
  329    MG   THR  27           QG2      THR  27 -18.222   9.392  -2.192
  330    H    HIS  28           H        HIS  28 -17.997   5.193   1.019
  331    HA   HIS  28           HA       HIS  28 -19.104   5.960   3.556
  332   1HB   HIS  28          2HB       HIS  28 -19.549   3.735   2.490
  333   2HB   HIS  28          1HB       HIS  28 -17.842   3.362   2.613
  334    HD1  HIS  28          1HD       HIS  28 -20.965   3.645   4.754
  335    HD2  HIS  28          2HD       HIS  28 -17.000   2.453   5.040
  336    HE1  HIS  28          1HE       HIS  28 -20.763   2.420   6.934
  337    QB   HIS  28           QB       HIS  28 -18.696   3.548   2.551
  338    H    HIS  29           H        HIS  29 -17.916   6.202   5.482
  339    HA   HIS  29           HA       HIS  29 -15.369   7.278   4.938
  340   1HB   HIS  29          2HB       HIS  29 -16.863   7.134   7.554
  341   2HB   HIS  29          1HB       HIS  29 -15.262   7.845   7.398
  342    HD1  HIS  29          1HD       HIS  29 -15.200  10.270   6.715
  343    HD2  HIS  29          2HD       HIS  29 -18.825   8.450   5.832
  344    HE1  HIS  29          1HE       HIS  29 -16.693  12.082   5.831
  345    QB   HIS  29           QB       HIS  29 -16.062   7.489   7.476
  346    H    LYS  30           H        LYS  30 -16.214   4.262   6.485
  347    HA   LYS  30           HA       LYS  30 -13.561   3.649   7.260
  348   1HB   LYS  30          2HB       LYS  30 -15.677   1.688   6.305
  349   2HB   LYS  30          1HB       LYS  30 -14.177   1.256   7.088
  350   1HG   LYS  30          2HG       LYS  30 -14.903   2.439   9.108
  351   2HG   LYS  30          1HG       LYS  30 -16.431   2.811   8.310
  352   1HD   LYS  30          2HD       LYS  30 -16.882   0.424   8.037
  353   2HD   LYS  30          1HD       LYS  30 -15.360   0.045   8.841
  354   1HE   LYS  30          2HE       LYS  30 -17.209  -0.172  10.390
  355   2HE   LYS  30          1HE       LYS  30 -16.165   1.162  10.866
  356   1HZ   LYS  30          3HZ       LYS  30 -18.733   1.432   9.395
  357   2HZ   LYS  30          2HZ       LYS  30 -18.514   1.715  11.025
  358   3HZ   LYS  30          1HZ       LYS  30 -17.762   2.713   9.897
  359    QB   LYS  30           QB       LYS  30 -14.927   1.472   6.696
  360    QD   LYS  30           QD       LYS  30 -16.121   0.235   8.439
  361    QG   LYS  30           QG       LYS  30 -15.667   2.625   8.709
  362    QE   LYS  30           QE       LYS  30 -16.687   0.495  10.628
  363    QZ   LYS  30           QZ       LYS  30 -18.336   1.954  10.106
  364    H    VAL  31           H        VAL  31 -15.326   3.248   4.284
  365    HA   VAL  31           HA       VAL  31 -13.331   1.938   2.812
  366    HB   VAL  31           HB       VAL  31 -15.629   3.699   1.869
  367   1HG1  VAL  31          3HG1      VAL  31 -13.912   1.805   0.264
  368   2HG1  VAL  31          2HG1      VAL  31 -15.350   2.642  -0.324
  369   3HG1  VAL  31          1HG1      VAL  31 -13.916   3.563   0.135
  370   1HG2  VAL  31          1HG2      VAL  31 -16.340   1.713   3.087
  371   2HG2  VAL  31          3HG2      VAL  31 -16.737   1.569   1.372
  372   3HG2  VAL  31          2HG2      VAL  31 -15.354   0.701   2.036
  373    MG1  VAL  31           QG1      VAL  31 -14.393   2.670   0.025
  374    MG2  VAL  31           QG2      VAL  31 -16.144   1.328   2.165
  375    QG   VAL  31           QQG      VAL  31 -15.268   1.999   1.095
  376    H    ILE  32           H        ILE  32 -14.075   5.353   3.296
  377    HA   ILE  32           HA       ILE  32 -12.055   6.467   1.683
  378    HB   ILE  32           HB       ILE  32 -13.253   7.530   4.269
  379   1HG1  ILE  32          2HG1      ILE  32 -13.885   8.188   1.378
  380   2HG1  ILE  32          1HG1      ILE  32 -14.872   7.194   2.444
  381   1HG2  ILE  32          1HG2      ILE  32 -11.103   8.612   3.870
  382   2HG2  ILE  32          3HG2      ILE  32 -11.604   9.033   2.230
  383   3HG2  ILE  32          2HG2      ILE  32 -12.428   9.746   3.612
  384   1HD1  ILE  32          1HD1      ILE  32 -14.276  10.123   2.800
  385   2HD1  ILE  32          3HD1      ILE  32 -15.780   9.435   2.199
  386   3HD1  ILE  32          2HD1      ILE  32 -15.282   9.144   3.867
  387    MG   ILE  32           QG2      ILE  32 -11.712   9.130   3.237
  388    MD   ILE  32           QD1      ILE  32 -15.113   9.567   2.955
  389    QG   ILE  32           QG1      ILE  32 -14.378   7.691   1.911
  390    H    SER  33           H        SER  33 -11.979   5.469   5.068
  391    HA   SER  33           HA       SER  33  -9.324   6.163   5.562
  392   1HB   SER  33          2HB       SER  33 -11.017   4.011   6.847
  393   2HB   SER  33          1HB       SER  33  -9.533   4.691   7.526
  394    HG   SER  33           HG       SER  33 -12.091   5.772   7.402
  395    QB   SER  33           QB       SER  33 -10.275   4.351   7.187
  396    H    PHE  34           H        PHE  34 -10.725   3.224   4.181
  397    HA   PHE  34           HA       PHE  34  -8.181   1.927   4.063
  398   1HB   PHE  34          2HB       PHE  34 -10.719   1.193   2.602
  399   2HB   PHE  34          1HB       PHE  34  -9.286   0.179   2.755
  400    HD1  PHE  34          1HD       PHE  34  -8.603   0.524   5.605
  401    HD2  PHE  34          2HD       PHE  34 -12.372   0.082   3.706
  402    HE1  PHE  34          1HE       PHE  34  -9.531  -0.417   7.674
  403    HE2  PHE  34          2HE       PHE  34 -13.309  -0.859   5.744
  404    HZ   PHE  34           HZ       PHE  34 -11.887  -1.105   7.761
  405    QB   PHE  34           QB       PHE  34 -10.003   0.686   2.678
  406    QD   PHE  34           QD       PHE  34 -10.487   0.303   4.656
  407    QE   PHE  34           QE       PHE  34 -11.420  -0.638   6.709
  408    QR   PHE  34           QR       PHE  34 -11.140  -0.355   6.098
  409    H    SER  35           H        SER  35  -9.982   3.982   1.923
  410    HA   SER  35           HA       SER  35  -8.518   3.449  -0.432
  411   1HB   SER  35          2HB       SER  35  -9.996   5.979   0.361
  412   2HB   SER  35          1HB       SER  35  -9.450   5.585  -1.269
  413    HG   SER  35           HG       SER  35 -11.253   4.000   0.257
  414    QB   SER  35           QB       SER  35  -9.723   5.782  -0.454
  415    H    GLN  36           H        GLN  36  -8.091   5.834   2.156
  416    HA   GLN  36           HA       GLN  36  -5.730   6.913   0.997
  417   1HB   GLN  36          2HB       GLN  36  -5.345   8.002   3.193
  418   2HB   GLN  36          1HB       GLN  36  -6.965   8.270   2.571
  419   1HG   GLN  36          2HG       GLN  36  -7.797   6.509   4.063
  420   2HG   GLN  36          1HG       GLN  36  -6.172   6.333   4.719
  421   1HE2  GLN  36          1HE2      GLN  36  -8.960   8.363   4.501
  422   2HE2  GLN  36          2HE2      GLN  36  -8.563   9.403   5.820
  423    QB   GLN  36           QB       GLN  36  -6.155   8.136   2.882
  424    QG   GLN  36           QG       GLN  36  -6.985   6.421   4.391
  425    QE   GLN  36           QE2      GLN  36  -8.761   8.883   5.161
  426    H    GLU  37           H        GLU  37  -6.406   4.232   3.058
  427    HA   GLU  37           HA       GLU  37  -3.763   3.672   3.899
  428   1HB   GLU  37          2HB       GLU  37  -5.744   2.695   4.975
  429   2HB   GLU  37          1HB       GLU  37  -6.121   1.827   3.500
  430   1HG   GLU  37          2HG       GLU  37  -4.233   0.424   3.743
  431   2HG   GLU  37          1HG       GLU  37  -3.602   1.397   5.069
  432    QB   GLU  37           QB       GLU  37  -5.932   2.261   4.238
  433    QG   GLU  37           QG       GLU  37  -3.917   0.910   4.406
  434    H    LEU  38           H        LEU  38  -5.661   2.677   1.116
  435    HA   LEU  38           HA       LEU  38  -3.772   1.060  -0.186
  436   1HB   LEU  38          2HB       LEU  38  -6.176   1.266  -0.832
  437   2HB   LEU  38          1HB       LEU  38  -5.897   2.900  -1.356
  438    HG   LEU  38           HG       LEU  38  -6.196   1.217  -3.195
  439   1HD1  LEU  38          3HD1      LEU  38  -5.098   3.312  -3.707
  440   2HD1  LEU  38          2HD1      LEU  38  -3.542   2.628  -3.236
  441   3HD1  LEU  38          1HD1      LEU  38  -4.397   1.985  -4.639
  442   1HD2  LEU  38          3HD2      LEU  38  -3.538   0.203  -2.232
  443   2HD2  LEU  38          2HD2      LEU  38  -5.077  -0.659  -2.235
  444   3HD2  LEU  38          1HD2      LEU  38  -4.301  -0.234  -3.761
  445    MD1  LEU  38           QD1      LEU  38  -4.346   2.642  -3.861
  446    MD2  LEU  38           QD2      LEU  38  -4.305  -0.230  -2.742
  447    QB   LEU  38           QB       LEU  38  -6.037   2.083  -1.094
  448    QD   LEU  38           QQD      LEU  38  -4.326   1.206  -3.302
  449    H    ASP  39           H        ASP  39  -4.382   4.510  -0.255
  450    HA   ASP  39           HA       ASP  39  -2.392   5.245  -2.092
  451   1HB   ASP  39          2HB       ASP  39  -4.239   6.741  -1.521
  452   2HB   ASP  39          1HB       ASP  39  -3.659   6.844   0.135
  453    QB   ASP  39           QB       ASP  39  -3.949   6.792  -0.693
  454    H    ARG  40           H        ARG  40  -2.300   4.800   1.395
  455    HA   ARG  40           HA       ARG  40   0.299   5.802   1.881
  456   1HB   ARG  40          2HB       ARG  40  -0.976   3.447   3.284
  457   2HB   ARG  40          1HB       ARG  40   0.371   4.405   3.866
  458   1HG   ARG  40          2HG       ARG  40  -2.478   5.289   3.539
  459   2HG   ARG  40          1HG       ARG  40  -1.635   4.971   5.053
  460   1HD   ARG  40          2HD       ARG  40  -0.115   6.835   4.548
  461   2HD   ARG  40          1HD       ARG  40  -1.022   7.151   3.067
  462    HE   ARG  40           HE       ARG  40  -2.484   7.079   5.546
  463   1HH1  ARG  40          1HH1      ARG  40  -1.060   9.090   3.009
  464   2HH1  ARG  40          2HH1      ARG  40  -1.892  10.499   3.437
  465   1HH2  ARG  40          1HH2      ARG  40  -3.672   9.001   6.140
  466   2HH2  ARG  40          2HH2      ARG  40  -3.437  10.442   5.275
  467    QB   ARG  40           QB       ARG  40  -0.303   3.926   3.575
  468    QG   ARG  40           QG       ARG  40  -2.056   5.130   4.296
  469    QD   ARG  40           QD       ARG  40  -0.568   6.993   3.807
  470    QH1  ARG  40           QH1      ARG  40  -1.476   9.795   3.223
  471    QH2  ARG  40           QH2      ARG  40  -3.554   9.721   5.708
  472    H    LEU  41           H        LEU  41  -0.853   2.567   1.075
  473    HA   LEU  41           HA       LEU  41   1.637   1.274   1.040
  474   1HB   LEU  41          2HB       LEU  41  -0.842   0.625  -0.561
  475   2HB   LEU  41          1HB       LEU  41   0.523  -0.446  -0.326
  476    HG   LEU  41           HG       LEU  41  -1.341   0.513   1.846
  477   1HD1  LEU  41          2HD1      LEU  41  -2.415  -1.038   0.317
  478   2HD1  LEU  41          1HD1      LEU  41  -1.079  -2.172   0.510
  479   3HD1  LEU  41          3HD1      LEU  41  -2.124  -1.801   1.883
  480   1HD2  LEU  41          3HD2      LEU  41   0.932  -1.475   1.930
  481   2HD2  LEU  41          2HD2      LEU  41   0.906   0.113   2.705
  482   3HD2  LEU  41          1HD2      LEU  41  -0.195  -1.147   3.245
  483    MD1  LEU  41           QD1      LEU  41  -1.873  -1.670   0.903
  484    MD2  LEU  41           QD2      LEU  41   0.548  -0.836   2.627
  485    QB   LEU  41           QB       LEU  41  -0.160   0.090  -0.443
  486    QD   LEU  41           QQD      LEU  41  -0.663  -1.253   1.765
  487    H    LEU  42           H        LEU  42  -0.185   2.895  -1.487
  488    HA   LEU  42           HA       LEU  42   1.587   2.391  -3.620
  489   1HB   LEU  42          2HB       LEU  42  -0.712   3.226  -3.915
  490   2HB   LEU  42          1HB       LEU  42  -0.255   4.739  -3.165
  491    HG   LEU  42           HG       LEU  42   1.302   5.158  -5.061
  492   1HD1  LEU  42          3HD1      LEU  42   0.009   2.709  -6.244
  493   2HD1  LEU  42          2HD1      LEU  42   1.055   3.834  -7.104
  494   3HD1  LEU  42          1HD1      LEU  42   1.699   2.877  -5.770
  495   1HD2  LEU  42          1HD2      LEU  42  -0.925   6.133  -5.020
  496   2HD2  LEU  42          3HD2      LEU  42  -0.452   5.728  -6.670
  497   3HD2  LEU  42          2HD2      LEU  42  -1.586   4.696  -5.795
  498    MD1  LEU  42           QD1      LEU  42   0.921   3.140  -6.373
  499    MD2  LEU  42           QD2      LEU  42  -0.988   5.519  -5.828
  500    QB   LEU  42           QB       LEU  42  -0.483   3.983  -3.540
  501    QD   LEU  42           QQD      LEU  42  -0.034   4.329  -6.101
  502    H    ASN  43           H        ASN  43   1.395   4.968  -1.249
  503    HA   ASN  43           HA       ASN  43   3.536   6.497  -2.283
  504   1HB   ASN  43          2HB       ASN  43   1.933   6.597   0.205
  505   2HB   ASN  43          1HB       ASN  43   3.519   7.359   0.250
  506   1HD2  ASN  43          1HD2      ASN  43   0.357   7.433  -1.184
  507   2HD2  ASN  43          2HD2      ASN  43   0.502   9.004  -1.864
  508    QB   ASN  43           QB       ASN  43   2.726   6.978   0.227
  509    QD   ASN  43           QD2      ASN  43   0.430   8.219  -1.524
  510    H    LEU  44           H        LEU  44   3.485   3.662  -0.390
  511    HA   LEU  44           HA       LEU  44   5.921   4.014   0.936
  512   1HB   LEU  44          2HB       LEU  44   4.508   1.497   0.114
  513   2HB   LEU  44          1HB       LEU  44   5.991   1.479   1.052
  514    HG   LEU  44           HG       LEU  44   3.348   2.671   1.912
  515   1HD1  LEU  44          3HD1      LEU  44   4.826   0.224   2.857
  516   2HD1  LEU  44          2HD1      LEU  44   3.352   0.871   3.570
  517   3HD1  LEU  44          1HD1      LEU  44   3.329   0.238   1.924
  518   1HD2  LEU  44          1HD2      LEU  44   5.979   2.476   3.384
  519   2HD2  LEU  44          3HD2      LEU  44   5.172   3.960   2.863
  520   3HD2  LEU  44          2HD2      LEU  44   4.443   2.946   4.101
  521    MD1  LEU  44           QD1      LEU  44   3.836   0.444   2.784
  522    MD2  LEU  44           QD2      LEU  44   5.198   3.127   3.449
  523    QB   LEU  44           QB       LEU  44   5.249   1.488   0.583
  524    QD   LEU  44           QQD      LEU  44   4.517   1.786   3.117
  525    H    LEU  45           H        LEU  45   5.245   3.028  -2.338
  526    HA   LEU  45           HA       LEU  45   7.883   2.135  -2.936
  527   1HB   LEU  45          2HB       LEU  45   5.728   3.209  -4.772
  528   2HB   LEU  45          1HB       LEU  45   7.271   2.631  -5.345
  529    HG   LEU  45           HG       LEU  45   6.658   0.375  -4.357
  530   1HD1  LEU  45          1HD1      LEU  45   4.914   1.072  -2.835
  531   2HD1  LEU  45          3HD1      LEU  45   3.925   1.610  -4.194
  532   3HD1  LEU  45          2HD1      LEU  45   4.309  -0.100  -4.006
  533   1HD2  LEU  45          3HD2      LEU  45   6.562   0.831  -6.736
  534   2HD2  LEU  45          2HD2      LEU  45   5.237  -0.226  -6.251
  535   3HD2  LEU  45          1HD2      LEU  45   4.934   1.485  -6.561
  536    MD1  LEU  45           QD1      LEU  45   4.383   0.861  -3.678
  537    MD2  LEU  45           QD2      LEU  45   5.578   0.697  -6.516
  538    QB   LEU  45           QB       LEU  45   6.500   2.920  -5.058
  539    QD   LEU  45           QQD      LEU  45   4.980   0.779  -5.097
  540    H    ILE  46           H        ILE  46   6.295   5.208  -2.981
  541    HA   ILE  46           HA       ILE  46   8.406   6.725  -4.179
  542    HB   ILE  46           HB       ILE  46   6.083   7.601  -2.422
  543   1HG1  ILE  46          2HG1      ILE  46   6.303   7.551  -5.442
  544   2HG1  ILE  46          1HG1      ILE  46   5.374   6.417  -4.471
  545   1HG2  ILE  46          3HG2      ILE  46   7.812   9.316  -2.498
  546   2HG2  ILE  46          2HG2      ILE  46   7.811   9.259  -4.264
  547   3HG2  ILE  46          1HG2      ILE  46   6.379   9.817  -3.395
  548   1HD1  ILE  46          2HD1      ILE  46   3.933   8.242  -3.724
  549   2HD1  ILE  46          1HD1      ILE  46   4.873   9.374  -4.704
  550   3HD1  ILE  46          3HD1      ILE  46   3.944   8.094  -5.482
  551    MG   ILE  46           QG2      ILE  46   7.334   9.464  -3.385
  552    MD   ILE  46           QD1      ILE  46   4.250   8.570  -4.637
  553    QG   ILE  46           QG1      ILE  46   5.838   6.984  -4.957
  554    H    GLU  47           H        GLU  47   7.215   6.175  -0.946
  555    HA   GLU  47           HA       GLU  47   8.936   7.699   0.601
  556   1HB   GLU  47          2HB       GLU  47   6.801   6.710   1.331
  557   2HB   GLU  47          1HB       GLU  47   7.523   5.119   1.219
  558   1HG   GLU  47          2HG       GLU  47   7.275   5.952   3.515
  559   2HG   GLU  47          1HG       GLU  47   8.929   5.546   3.082
  560    QB   GLU  47           QB       GLU  47   7.162   5.915   1.275
  561    QG   GLU  47           QG       GLU  47   8.102   5.749   3.299
  562    H    LEU  48           H        LEU  48   9.358   4.522  -0.793
  563    HA   LEU  48           HA       LEU  48  11.574   3.643   0.648
  564   1HB   LEU  48          2HB       LEU  48  10.218   2.272  -0.808
  565   2HB   LEU  48          1HB       LEU  48  10.887   3.102  -2.197
  566    HG   LEU  48           HG       LEU  48  13.055   2.157  -1.840
  567   1HD1  LEU  48          1HD1      LEU  48  13.084   2.342   0.656
  568   2HD1  LEU  48          3HD1      LEU  48  11.952   0.991   0.745
  569   3HD1  LEU  48          2HD1      LEU  48  13.581   0.759   0.098
  570   1HD2  LEU  48          3HD2      LEU  48  11.343   0.773  -2.863
  571   2HD2  LEU  48          2HD2      LEU  48  12.516  -0.203  -1.936
  572   3HD2  LEU  48          1HD2      LEU  48  10.928   0.213  -1.245
  573    MD1  LEU  48           QD1      LEU  48  12.872   1.364   0.499
  574    MD2  LEU  48           QD2      LEU  48  11.595   0.261  -2.014
  575    QB   LEU  48           QB       LEU  48  10.552   2.687  -1.502
  576    QD   LEU  48           QQD      LEU  48  12.234   0.812  -0.758
  577    H    LYS  49           H        LYS  49  11.333   5.790  -2.133
  578    HA   LYS  49           HA       LYS  49  14.145   5.883  -2.656
  579   1HB   LYS  49          2HB       LYS  49  11.995   7.878  -3.390
  580   2HB   LYS  49          1HB       LYS  49  13.607   7.811  -4.079
  581   1HG   LYS  49          2HG       LYS  49  13.084   5.606  -5.030
  582   2HG   LYS  49          1HG       LYS  49  11.453   5.728  -4.368
  583   1HD   LYS  49          2HD       LYS  49  11.126   7.804  -5.664
  584   2HD   LYS  49          1HD       LYS  49  12.717   7.577  -6.385
  585   1HE   LYS  49          2HE       LYS  49  11.968   5.426  -7.318
  586   2HE   LYS  49          1HE       LYS  49  10.376   5.691  -6.607
  587   1HZ   LYS  49          1HZ       LYS  49  10.199   7.724  -7.969
  588   2HZ   LYS  49          3HZ       LYS  49  11.665   7.342  -8.706
  589   3HZ   LYS  49          2HZ       LYS  49  10.345   6.335  -8.899
  590    QB   LYS  49           QB       LYS  49  12.801   7.844  -3.735
  591    QD   LYS  49           QD       LYS  49  11.921   7.691  -6.025
  592    QG   LYS  49           QG       LYS  49  12.269   5.667  -4.699
  593    QE   LYS  49           QE       LYS  49  11.172   5.558  -6.962
  594    QZ   LYS  49           QZ       LYS  49  10.736   7.134  -8.525
  595    H    THR  50           H        THR  50  11.828   7.705  -0.815
  596    HA   THR  50           HA       THR  50  13.303   9.905  -0.022
  597    HB   THR  50           HB       THR  50  11.143   8.446   1.513
  598    HG1  THR  50          1HG       THR  50   9.746   9.758   0.231
  599   1HG2  THR  50          3HG2      THR  50  12.235  10.346   2.704
  600   2HG2  THR  50          2HG2      THR  50  11.840  11.392   1.342
  601   3HG2  THR  50          1HG2      THR  50  10.548  10.690   2.313
  602    MG   THR  50           QG2      THR  50  11.541  10.809   2.120
  603    H    LYS  51           H        LYS  51  13.453   6.612   0.986
  604    HA   LYS  51           HA       LYS  51  14.572   6.910   3.570
  605   1HB   LYS  51          2HB       LYS  51  14.905   4.587   1.670
  606   2HB   LYS  51          1HB       LYS  51  15.218   4.551   3.394
  607   1HG   LYS  51          2HG       LYS  51  12.576   4.832   1.998
  608   2HG   LYS  51          1HG       LYS  51  13.138   3.475   2.978
  609   1HD   LYS  51          2HD       LYS  51  13.172   4.960   4.934
  610   2HD   LYS  51          1HD       LYS  51  12.536   6.269   3.924
  611   1HE   LYS  51          2HE       LYS  51  10.630   4.730   3.372
  612   2HE   LYS  51          1HE       LYS  51  11.208   3.677   4.650
  613   1HZ   LYS  51          1HZ       LYS  51  10.985   5.600   6.206
  614   2HZ   LYS  51          3HZ       LYS  51  10.249   6.470   4.945
  615   3HZ   LYS  51          2HZ       LYS  51   9.528   5.080   5.551
  616    QB   LYS  51           QB       LYS  51  15.062   4.569   2.532
  617    QD   LYS  51           QD       LYS  51  12.854   5.615   4.429
  618    QG   LYS  51           QG       LYS  51  12.857   4.154   2.488
  619    QE   LYS  51           QE       LYS  51  10.919   4.203   4.011
  620    QZ   LYS  51           QZ       LYS  51  10.254   5.717   5.568
  621    H    LYS  52           H        LYS  52  15.863   7.423   0.498
  622    HA   LYS  52           HA       LYS  52  17.817   7.882  -0.428
  623   1HB   LYS  52          2HB       LYS  52  19.510   9.149   0.738
  624   2HB   LYS  52          1HB       LYS  52  17.938   9.670   1.303
  625   1HG   LYS  52          2HG       LYS  52  18.241   8.405   3.357
  626   2HG   LYS  52          1HG       LYS  52  19.775   7.787   2.768
  627   1HD   LYS  52          2HD       LYS  52  20.697  10.035   2.729
  628   2HD   LYS  52          1HD       LYS  52  19.142  10.694   3.245
  629   1HE   LYS  52          2HE       LYS  52  20.817   8.742   4.823
  630   2HE   LYS  52          1HE       LYS  52  20.754  10.479   5.109
  631   1HZ   LYS  52          3HZ       LYS  52  18.385  10.267   5.574
  632   2HZ   LYS  52          2HZ       LYS  52  18.467   8.602   5.314
  633   3HZ   LYS  52          1HZ       LYS  52  19.282   9.280   6.608
  634    QB   LYS  52           QB       LYS  52  18.724   9.410   1.021
  635    QD   LYS  52           QD       LYS  52  19.920  10.365   2.987
  636    QG   LYS  52           QG       LYS  52  19.008   8.096   3.062
  637    QE   LYS  52           QE       LYS  52  20.785   9.611   4.966
  638    QZ   LYS  52           QZ       LYS  52  18.711   9.383   5.832
  639    H    LYS  53           H        LYS  53  17.502   5.227   1.158
  640    HA   LYS  53           HA       LYS  53  20.240   4.322   0.765
  641   1HB   LYS  53          2HB       LYS  53  19.458   2.179   1.796
  642   2HB   LYS  53          1HB       LYS  53  19.312   3.574   2.843
  643   1HG   LYS  53          2HG       LYS  53  17.371   2.276   3.212
  644   2HG   LYS  53          1HG       LYS  53  16.860   3.638   2.235
  645   1HD   LYS  53          2HD       LYS  53  15.736   1.741   1.357
  646   2HD   LYS  53          1HD       LYS  53  17.033   2.088   0.226
  647   1HE   LYS  53          2HE       LYS  53  17.151  -0.042   2.382
  648   2HE   LYS  53          1HE       LYS  53  16.714  -0.346   0.711
  649   1HZ   LYS  53          2HZ       LYS  53  19.016   0.516   0.132
  650   2HZ   LYS  53          1HZ       LYS  53  19.365   0.503   1.755
  651   3HZ   LYS  53          3HZ       LYS  53  18.969  -0.930   0.993
  652    QB   LYS  53           QB       LYS  53  19.385   2.876   2.320
  653    QD   LYS  53           QD       LYS  53  16.385   1.915   0.792
  654    QG   LYS  53           QG       LYS  53  17.115   2.957   2.723
  655    QE   LYS  53           QE       LYS  53  16.933  -0.194   1.546
  656    QZ   LYS  53           QZ       LYS  53  19.117   0.030   0.960
  657    H    ARG  54           H        ARG  54  18.191   5.069  -1.150
  658    HA   ARG  54           HA       ARG  54  17.665   2.844  -2.842
  659   1HB   ARG  54          2HB       ARG  54  17.218   4.669  -4.563
  660   2HB   ARG  54          1HB       ARG  54  16.226   4.717  -3.113
  661   1HG   ARG  54          2HG       ARG  54  17.600   6.520  -2.217
  662   2HG   ARG  54          1HG       ARG  54  18.656   6.429  -3.627
  663   1HD   ARG  54          2HD       ARG  54  16.890   7.160  -5.064
  664   2HD   ARG  54          1HD       ARG  54  15.704   7.059  -3.764
  665    HE   ARG  54           HE       ARG  54  17.206   8.854  -2.694
  666   1HH1  ARG  54          1HH1      ARG  54  16.558   8.638  -6.206
  667   2HH1  ARG  54          2HH1      ARG  54  16.722  10.296  -6.458
  668   1HH2  ARG  54          1HH2      ARG  54  17.437  11.140  -3.080
  669   2HH2  ARG  54          2HH2      ARG  54  17.218  11.757  -4.642
  670    QB   ARG  54           QB       ARG  54  16.722   4.693  -3.838
  671    QG   ARG  54           QG       ARG  54  18.128   6.475  -2.922
  672    QD   ARG  54           QD       ARG  54  16.297   7.109  -4.414
  673    QH1  ARG  54           QH1      ARG  54  16.640   9.467  -6.332
  674    QH2  ARG  54           QH2      ARG  54  17.327  11.448  -3.861
  675    H    TYR  55           H        TYR  55  18.845   2.087  -4.564
  676    HA   TYR  55           HA       TYR  55  21.641   2.528  -4.403
  677   1HB   TYR  55          2HB       TYR  55  19.998   0.868  -6.288
  678   2HB   TYR  55          1HB       TYR  55  21.760   0.917  -6.328
  679    HD1  TYR  55          1HD       TYR  55  18.828  -0.310  -4.506
  680    HD2  TYR  55          2HD       TYR  55  23.074  -0.025  -4.495
  681    HE1  TYR  55          1HE       TYR  55  18.939  -2.025  -2.742
  682    HE2  TYR  55          2HE       TYR  55  23.193  -1.734  -2.735
  683    HH   TYR  55           HH       TYR  55  21.712  -2.598  -0.944
  684    QB   TYR  55           QB       TYR  55  20.879   0.893  -6.308
  685    QD   TYR  55           QD       TYR  55  20.951  -0.167  -4.500
  686    QE   TYR  55           QE       TYR  55  21.066  -1.879  -2.738
  687    QR   TYR  55           QR       TYR  55  21.009  -1.023  -3.619
  688    H    SER  56           H        SER  56  19.228   4.092  -6.027
  689    HA   SER  56           HA       SER  56  20.582   5.038  -8.305
  690   1HB   SER  56          2HB       SER  56  18.410   6.406  -6.720
  691   2HB   SER  56          1HB       SER  56  18.818   6.654  -8.422
  692    HG   SER  56           HG       SER  56  18.196   4.569  -8.853
  693    QB   SER  56           QB       SER  56  18.614   6.530  -7.571
  694    H    LEU  57           H        LEU  57  21.256   5.591  -5.031
  695    HA   LEU  57           HA       LEU  57  22.612   8.103  -5.697
  696   1HB   LEU  57          2HB       LEU  57  21.921   6.920  -3.001
  697   2HB   LEU  57          1HB       LEU  57  22.879   8.370  -3.228
  698    HG   LEU  57           HG       LEU  57  19.975   8.039  -4.003
  699   1HD1  LEU  57          3HD1      LEU  57  20.293   8.122  -1.595
  700   2HD1  LEU  57          2HD1      LEU  57  21.247   9.596  -1.760
  701   3HD1  LEU  57          1HD1      LEU  57  19.537   9.597  -2.189
  702   1HD2  LEU  57          2HD2      LEU  57  21.781  10.459  -4.120
  703   2HD2  LEU  57          1HD2      LEU  57  21.112   9.595  -5.502
  704   3HD2  LEU  57          3HD2      LEU  57  20.042  10.465  -4.402
  705    MD1  LEU  57           QD1      LEU  57  20.359   9.105  -1.848
  706    MD2  LEU  57           QD2      LEU  57  20.978  10.173  -4.674
  707    QB   LEU  57           QB       LEU  57  22.400   7.645  -3.115
  708    QD   LEU  57           QQD      LEU  57  20.669   9.639  -3.261
  709    H    LEU  58           H        LEU  58  23.160   4.945  -5.753
  710    HA   LEU  58           HA       LEU  58  25.913   5.154  -4.750
  711   1HB   LEU  58          2HB       LEU  58  24.132   2.735  -5.031
  712   2HB   LEU  58          1HB       LEU  58  25.859   2.587  -4.847
  713    HG   LEU  58           HG       LEU  58  25.654   3.733  -2.620
  714   1HD1  LEU  58          2HD1      LEU  58  23.530   4.876  -3.007
  715   2HD1  LEU  58          1HD1      LEU  58  22.702   3.328  -3.024
  716   3HD1  LEU  58          3HD1      LEU  58  23.488   3.882  -1.544
  717   1HD2  LEU  58          2HD2      LEU  58  25.837   1.324  -2.813
  718   2HD2  LEU  58          1HD2      LEU  58  24.767   1.761  -1.478
  719   3HD2  LEU  58          3HD2      LEU  58  24.092   1.199  -3.005
  720    MD1  LEU  58           QD1      LEU  58  23.240   4.029  -2.525
  721    MD2  LEU  58           QD2      LEU  58  24.899   1.428  -2.432
  722    QB   LEU  58           QB       LEU  58  24.996   2.661  -4.939
  723    QD   LEU  58           QQD      LEU  58  24.070   2.728  -2.479
  724    H    GLU  59           H        GLU  59  24.012   3.583  -7.324
  725    HA   GLU  59           HA       GLU  59  26.425   3.361  -8.933
  726   1HB   GLU  59          2HB       GLU  59  24.992   2.145 -10.538
  727   2HB   GLU  59          1HB       GLU  59  24.940   1.441  -8.932
  728   1HG   GLU  59          2HG       GLU  59  22.799   2.344  -8.505
  729   2HG   GLU  59          1HG       GLU  59  22.845   3.340  -9.958
  730    QB   GLU  59           QB       GLU  59  24.966   1.793  -9.735
  731    QG   GLU  59           QG       GLU  59  22.822   2.842  -9.232
  732    H    HIS  60           H        HIS  60  24.482   5.714  -8.263
  733    HA   HIS  60           HA       HIS  60  24.739   7.021 -10.835
  734   1HB   HIS  60          2HB       HIS  60  22.468   6.190 -10.818
  735   2HB   HIS  60          1HB       HIS  60  22.228   6.725  -9.164
  736    HD1  HIS  60          1HD       HIS  60  21.478   9.119  -8.825
  737    HD2  HIS  60          2HD       HIS  60  22.253   8.177 -12.782
  738    HE1  HIS  60          1HE       HIS  60  20.528  11.029 -10.197
  739    QB   HIS  60           QB       HIS  60  22.348   6.458  -9.991
  740    H    HIS  61           H        HIS  61  26.038   8.653 -10.322
  741    HA   HIS  61           HA       HIS  61  26.127   9.668  -7.615
  742   1HB   HIS  61          2HB       HIS  61  27.798  10.384 -10.043
  743   2HB   HIS  61          1HB       HIS  61  28.038  11.048  -8.433
  744    HD1  HIS  61          1HD       HIS  61  29.417   9.603  -6.765
  745    HD2  HIS  61          2HD       HIS  61  28.467   7.638 -10.314
  746    HE1  HIS  61          1HE       HIS  61  30.762   7.491  -6.778
  747    QB   HIS  61           QB       HIS  61  27.918  10.716  -9.238
  748    H    HIS  62           H        HIS  62  24.448  10.847  -7.228
  749    HA   HIS  62           HA       HIS  62  23.554  12.788  -9.202
  750   1HB   HIS  62          2HB       HIS  62  21.838  11.339  -8.203
  751   2HB   HIS  62          1HB       HIS  62  22.278  11.898  -6.596
  752    HD1  HIS  62          1HD       HIS  62  20.884  13.844  -5.724
  753    HD2  HIS  62          2HD       HIS  62  20.794  13.509  -9.874
  754    HE1  HIS  62          1HE       HIS  62  19.286  15.583  -6.532
  755    QB   HIS  62           QB       HIS  62  22.058  11.619  -7.400
  756    H    HIS  63           H        HIS  63  23.838  12.836  -5.673
  757    HA   HIS  63           HA       HIS  63  25.549  14.981  -5.308
  758   1HB   HIS  63          2HB       HIS  63  23.695  16.216  -6.557
  759   2HB   HIS  63          1HB       HIS  63  22.596  15.762  -5.272
  760    HD1  HIS  63          1HD       HIS  63  24.628  18.517  -6.367
  761    HD2  HIS  63          2HD       HIS  63  23.540  16.948  -2.676
  762    HE1  HIS  63          1HE       HIS  63  24.924  20.371  -4.725
  763    QB   HIS  63           QB       HIS  63  23.145  15.989  -5.915
  764    H    HIS  64           H        HIS  64  25.987  14.784  -3.059
  765    HA   HIS  64           HA       HIS  64  23.906  13.536  -1.563
  766   1HB   HIS  64          2HB       HIS  64  25.765  12.873  -0.016
  767   2HB   HIS  64          1HB       HIS  64  25.692  11.970  -1.527
  768    HD1  HIS  64          1HD       HIS  64  27.804  12.412  -3.174
  769    HD2  HIS  64          2HD       HIS  64  28.035  14.235   0.561
  770    HE1  HIS  64          1HE       HIS  64  30.204  13.025  -2.846
  771    QB   HIS  64           QB       HIS  64  25.728  12.422  -0.771

  No H/Q in entry =         771
  Start of MODEL   11
    1    H1   MET   1          1HT       MET   1  11.153  -3.047   1.784
    2    H2   MET   1          3HT       MET   1  10.565  -4.570   2.199
    3    H3   MET   1          2HT       MET   1  11.493  -3.673   3.289
    4    HA   MET   1           HA       MET   1  13.385  -3.749   1.856
    5   1HB   MET   1          2HB       MET   1  12.254  -6.516   2.419
    6   2HB   MET   1          1HB       MET   1  13.929  -6.181   2.017
    7   1HG   MET   1          2HG       MET   1  14.156  -4.850   4.047
    8   2HG   MET   1          1HG       MET   1  12.471  -5.171   4.447
    9   1HE   MET   1          1HE       MET   1  14.826  -5.642   6.477
   10   2HE   MET   1          3HE       MET   1  13.139  -6.007   6.844
   11   3HE   MET   1          2HE       MET   1  14.389  -7.210   7.153
   12    QB   MET   1           QB       MET   1  13.092  -6.348   2.218
   13    QG   MET   1           QG       MET   1  13.314  -5.010   4.247
   14    ME   MET   1           QE       MET   1  14.118  -6.287   6.825
   15    H    ASN   2           H        ASN   2  11.239  -6.320   0.549
   16    HA   ASN   2           HA       ASN   2  12.318  -5.642  -2.086
   17   1HB   ASN   2          2HB       ASN   2  12.407  -8.046  -1.278
   18   2HB   ASN   2          1HB       ASN   2  10.649  -8.052  -1.291
   19   1HD2  ASN   2          1HD2      ASN   2  12.492  -9.722  -2.785
   20   2HD2  ASN   2          2HD2      ASN   2  12.138  -9.476  -4.443
   21    QB   ASN   2           QB       ASN   2  11.528  -8.049  -1.285
   22    QD   ASN   2           QD2      ASN   2  12.315  -9.599  -3.614
   23    H    VAL   3           H        VAL   3  11.115  -4.558  -3.463
   24    HA   VAL   3           HA       VAL   3   8.705  -3.393  -2.699
   25    HB   VAL   3           HB       VAL   3   8.539  -2.481  -4.964
   26   1HG1  VAL   3          3HG1      VAL   3   9.924  -1.362  -3.307
   27   2HG1  VAL   3          2HG1      VAL   3  11.306  -2.359  -3.771
   28   3HG1  VAL   3          1HG1      VAL   3  10.636  -1.195  -4.914
   29   1HG2  VAL   3          3HG2      VAL   3   9.372  -4.396  -6.230
   30   2HG2  VAL   3          2HG2      VAL   3  10.293  -2.941  -6.623
   31   3HG2  VAL   3          1HG2      VAL   3  10.977  -4.156  -5.542
   32    MG1  VAL   3           QG1      VAL   3  10.622  -1.639  -3.997
   33    MG2  VAL   3           QG2      VAL   3  10.214  -3.831  -6.132
   34    QG   VAL   3           QQG      VAL   3  10.418  -2.735  -5.065
   35    H    THR   4           H        THR   4   9.187  -6.405  -4.382
   36    HA   THR   4           HA       THR   4   6.661  -6.437  -5.617
   37    HB   THR   4           HB       THR   4   8.418  -8.062  -6.300
   38    HG1  THR   4          1HG       THR   4   5.844  -9.099  -5.543
   39   1HG2  THR   4          3HG2      THR   4   7.749  -9.456  -3.705
   40   2HG2  THR   4          2HG2      THR   4   8.763 -10.127  -4.986
   41   3HG2  THR   4          1HG2      THR   4   9.284  -8.684  -4.104
   42    MG   THR   4           QG2      THR   4   8.599  -9.422  -4.265
   43    H    LYS   5           H        LYS   5   7.653  -7.274  -2.347
   44    HA   LYS   5           HA       LYS   5   5.196  -8.567  -1.682
   45   1HB   LYS   5          2HB       LYS   5   7.243  -7.284   0.136
   46   2HB   LYS   5          1HB       LYS   5   5.914  -8.291   0.676
   47   1HG   LYS   5          2HG       LYS   5   8.266  -9.136  -1.008
   48   2HG   LYS   5          1HG       LYS   5   7.948  -9.571   0.669
   49   1HD   LYS   5          2HD       LYS   5   6.316 -10.387  -1.747
   50   2HD   LYS   5          1HD       LYS   5   7.387 -11.417  -0.813
   51   1HE   LYS   5          2HE       LYS   5   5.929 -11.079   1.171
   52   2HE   LYS   5          1HE       LYS   5   4.833 -10.129   0.172
   53   1HZ   LYS   5          3HZ       LYS   5   4.585 -12.130  -1.262
   54   2HZ   LYS   5          2HZ       LYS   5   5.503 -12.993  -0.122
   55   3HZ   LYS   5          1HZ       LYS   5   4.022 -12.358   0.315
   56    QB   LYS   5           QB       LYS   5   6.578  -7.787   0.406
   57    QD   LYS   5           QD       LYS   5   6.852 -10.902  -1.280
   58    QG   LYS   5           QG       LYS   5   8.107  -9.354  -0.170
   59    QE   LYS   5           QE       LYS   5   5.381 -10.604   0.672
   60    QZ   LYS   5           QZ       LYS   5   4.703 -12.494  -0.356
   61    H    LEU   6           H        LEU   6   6.363  -5.345  -1.640
   62    HA   LEU   6           HA       LEU   6   4.278  -4.184  -0.138
   63   1HB   LEU   6          2HB       LEU   6   6.495  -3.163  -0.528
   64   2HB   LEU   6          1HB       LEU   6   6.098  -3.025  -2.227
   65    HG   LEU   6           HG       LEU   6   4.359  -1.381  -1.710
   66   1HD1  LEU   6          1HD1      LEU   6   3.727  -2.196   0.513
   67   2HD1  LEU   6          3HD1      LEU   6   5.285  -1.660   1.148
   68   3HD1  LEU   6          2HD1      LEU   6   4.129  -0.483   0.527
   69   1HD2  LEU   6          1HD2      LEU   6   6.670  -0.691  -2.162
   70   2HD2  LEU   6          3HD2      LEU   6   5.841   0.411  -1.071
   71   3HD2  LEU   6          2HD2      LEU   6   7.010  -0.743  -0.432
   72    MD1  LEU   6           QD1      LEU   6   4.381  -1.447   0.729
   73    MD2  LEU   6           QD2      LEU   6   6.507  -0.341  -1.222
   74    QB   LEU   6           QB       LEU   6   6.296  -3.094  -1.378
   75    QD   LEU   6           QQD      LEU   6   5.444  -0.894  -0.246
   76    H    ASN   7           H        ASN   7   4.946  -4.425  -3.623
   77    HA   ASN   7           HA       ASN   7   2.583  -3.157  -4.484
   78   1HB   ASN   7          2HB       ASN   7   4.733  -3.598  -5.833
   79   2HB   ASN   7          1HB       ASN   7   4.118  -5.218  -6.087
   80   1HD2  ASN   7          1HD2      ASN   7   1.265  -4.159  -6.392
   81   2HD2  ASN   7          2HD2      ASN   7   1.270  -3.460  -7.967
   82    QB   ASN   7           QB       ASN   7   4.426  -4.408  -5.960
   83    QD   ASN   7           QD2      ASN   7   1.267  -3.809  -7.179
   84    H    ASP   8           H        ASP   8   3.390  -6.558  -3.919
   85    HA   ASP   8           HA       ASP   8   0.981  -7.654  -4.856
   86   1HB   ASP   8          2HB       ASP   8   3.066  -8.700  -2.974
   87   2HB   ASP   8          1HB       ASP   8   1.577  -9.595  -3.190
   88    QB   ASP   8           QB       ASP   8   2.322  -9.147  -3.082
   89    H    ARG   9           H        ARG   9   1.831  -6.427  -1.669
   90    HA   ARG   9           HA       ARG   9  -0.585  -7.208  -0.402
   91   1HB   ARG   9          2HB       ARG   9   1.328  -4.957   0.211
   92   2HB   ARG   9          1HB       ARG   9  -0.091  -5.289   1.183
   93   1HG   ARG   9          2HG       ARG   9   0.768  -7.486   1.734
   94   2HG   ARG   9          1HG       ARG   9   2.174  -7.208   0.702
   95   1HD   ARG   9          2HD       ARG   9   2.695  -6.801   3.063
   96   2HD   ARG   9          1HD       ARG   9   2.848  -5.341   2.085
   97    HE   ARG   9           HE       ARG   9   0.310  -5.726   3.419
   98   1HH1  ARG   9          1HH1      ARG   9   3.496  -4.213   3.560
   99   2HH1  ARG   9          2HH1      ARG   9   3.057  -3.026   4.689
  100   1HH2  ARG   9          1HH2      ARG   9  -0.344  -4.059   4.887
  101   2HH2  ARG   9          2HH2      ARG   9   0.791  -2.922   5.471
  102    QB   ARG   9           QB       ARG   9   0.619  -5.123   0.697
  103    QG   ARG   9           QG       ARG   9   1.471  -7.347   1.218
  104    QD   ARG   9           QD       ARG   9   2.772  -6.071   2.574
  105    QH1  ARG   9           QH1      ARG   9   3.277  -3.620   4.124
  106    QH2  ARG   9           QH2      ARG   9   0.224  -3.491   5.179
  107    H    ILE  10           H        ILE  10   0.367  -4.376  -2.203
  108    HA   ILE  10           HA       ILE  10  -1.969  -2.872  -1.859
  109    HB   ILE  10           HB       ILE  10  -0.052  -2.934  -4.211
  110   1HG1  ILE  10          2HG1      ILE  10  -0.260  -1.048  -1.857
  111   2HG1  ILE  10          1HG1      ILE  10   0.923  -2.336  -2.025
  112   1HG2  ILE  10          3HG2      ILE  10  -2.216  -1.962  -4.903
  113   2HG2  ILE  10          2HG2      ILE  10  -2.160  -0.856  -3.539
  114   3HG2  ILE  10          1HG2      ILE  10  -0.964  -0.726  -4.827
  115   1HD1  ILE  10          2HD1      ILE  10   0.653   0.027  -3.848
  116   2HD1  ILE  10          1HD1      ILE  10   1.844  -0.149  -2.552
  117   3HD1  ILE  10          3HD1      ILE  10   1.881  -1.231  -3.941
  118    MG   ILE  10           QG2      ILE  10  -1.780  -1.182  -4.423
  119    MD   ILE  10           QD1      ILE  10   1.459  -0.451  -3.447
  120    QG   ILE  10           QG1      ILE  10   0.331  -1.692  -1.941
  121    H    GLU  11           H        GLU  11  -1.086  -5.253  -4.304
  122    HA   GLU  11           HA       GLU  11  -3.419  -5.175  -5.849
  123   1HB   GLU  11          2HB       GLU  11  -1.590  -7.488  -5.250
  124   2HB   GLU  11          1HB       GLU  11  -2.798  -7.478  -6.528
  125   1HG   GLU  11          2HG       GLU  11  -0.468  -5.589  -6.319
  126   2HG   GLU  11          1HG       GLU  11  -0.530  -7.033  -7.325
  127    QB   GLU  11           QB       GLU  11  -2.194  -7.483  -5.889
  128    QG   GLU  11           QG       GLU  11  -0.499  -6.311  -6.822
  129    H    ALA  12           H        ALA  12  -2.734  -6.915  -2.874
  130    HA   ALA  12           HA       ALA  12  -5.179  -8.405  -2.870
  131   1HB   ALA  12          2HB       ALA  12  -3.201  -9.158  -1.616
  132   2HB   ALA  12          3HB       ALA  12  -4.601  -8.963  -0.561
  133   3HB   ALA  12          1HB       ALA  12  -3.329  -7.742  -0.574
  134    MB   ALA  12           QB       ALA  12  -3.710  -8.621  -0.917
  135    H    LYS  13           H        LYS  13  -4.095  -5.371  -1.581
  136    HA   LYS  13           HA       LYS  13  -6.358  -4.826   0.058
  137   1HB   LYS  13          2HB       LYS  13  -3.878  -3.826  -0.048
  138   2HB   LYS  13          1HB       LYS  13  -4.650  -2.654  -1.097
  139   1HG   LYS  13          2HG       LYS  13  -5.407  -3.244   1.759
  140   2HG   LYS  13          1HG       LYS  13  -4.473  -1.866   1.202
  141   1HD   LYS  13          2HD       LYS  13  -6.403  -1.079  -0.081
  142   2HD   LYS  13          1HD       LYS  13  -7.331  -2.478   0.463
  143   1HE   LYS  13          2HE       LYS  13  -6.155  -0.344   2.230
  144   2HE   LYS  13          1HE       LYS  13  -7.851  -0.493   1.779
  145   1HZ   LYS  13          3HZ       LYS  13  -6.321  -2.562   3.218
  146   2HZ   LYS  13          2HZ       LYS  13  -7.239  -1.449   4.010
  147   3HZ   LYS  13          1HZ       LYS  13  -7.969  -2.598   2.942
  148    QB   LYS  13           QB       LYS  13  -4.264  -3.240  -0.573
  149    QD   LYS  13           QD       LYS  13  -6.867  -1.779   0.191
  150    QG   LYS  13           QG       LYS  13  -4.940  -2.555   1.481
  151    QE   LYS  13           QE       LYS  13  -7.003  -0.419   2.004
  152    QZ   LYS  13           QZ       LYS  13  -7.176  -2.203   3.390
  153    H    LYS  14           H        LYS  14  -5.380  -4.011  -3.215
  154    HA   LYS  14           HA       LYS  14  -7.413  -2.254  -3.924
  155   1HB   LYS  14          2HB       LYS  14  -5.737  -4.142  -5.562
  156   2HB   LYS  14          1HB       LYS  14  -6.904  -3.048  -6.294
  157   1HG   LYS  14          2HG       LYS  14  -5.717  -1.140  -5.612
  158   2HG   LYS  14          1HG       LYS  14  -4.751  -2.058  -4.455
  159   1HD   LYS  14          2HD       LYS  14  -3.468  -1.402  -6.433
  160   2HD   LYS  14          1HD       LYS  14  -3.582  -3.153  -6.283
  161   1HE   LYS  14          2HE       LYS  14  -5.388  -3.120  -7.938
  162   2HE   LYS  14          1HE       LYS  14  -5.190  -1.367  -8.047
  163   1HZ   LYS  14          3HZ       LYS  14  -2.977  -3.249  -8.570
  164   2HZ   LYS  14          2HZ       LYS  14  -4.000  -2.683  -9.811
  165   3HZ   LYS  14          1HZ       LYS  14  -3.051  -1.597  -8.919
  166    QB   LYS  14           QB       LYS  14  -6.321  -3.595  -5.928
  167    QD   LYS  14           QD       LYS  14  -3.525  -2.278  -6.358
  168    QG   LYS  14           QG       LYS  14  -5.234  -1.599  -5.034
  169    QE   LYS  14           QE       LYS  14  -5.289  -2.243  -7.993
  170    QZ   LYS  14           QZ       LYS  14  -3.343  -2.510  -9.100
  171    H    LYS  15           H        LYS  15  -7.279  -5.767  -4.483
  172    HA   LYS  15           HA       LYS  15  -9.885  -5.923  -5.587
  173   1HB   LYS  15          2HB       LYS  15  -8.284  -8.060  -4.184
  174   2HB   LYS  15          1HB       LYS  15  -9.716  -8.363  -5.149
  175   1HG   LYS  15          2HG       LYS  15  -7.135  -7.188  -6.168
  176   2HG   LYS  15          1HG       LYS  15  -7.623  -8.872  -6.311
  177   1HD   LYS  15          2HD       LYS  15  -9.082  -6.500  -7.516
  178   2HD   LYS  15          1HD       LYS  15  -8.019  -7.592  -8.396
  179   1HE   LYS  15          2HE       LYS  15  -9.549  -9.470  -7.819
  180   2HE   LYS  15          1HE       LYS  15 -10.616  -8.302  -7.040
  181   1HZ   LYS  15          1HZ       LYS  15 -10.870  -7.185  -9.182
  182   2HZ   LYS  15          3HZ       LYS  15  -9.887  -8.324  -9.919
  183   3HZ   LYS  15          2HZ       LYS  15 -11.377  -8.779  -9.287
  184    QB   LYS  15           QB       LYS  15  -9.000  -8.211  -4.666
  185    QD   LYS  15           QD       LYS  15  -8.550  -7.046  -7.956
  186    QG   LYS  15           QG       LYS  15  -7.379  -8.030  -6.239
  187    QE   LYS  15           QE       LYS  15 -10.083  -8.886  -7.430
  188    QZ   LYS  15           QZ       LYS  15 -10.711  -8.096  -9.463
  189    H    GLU  16           H        GLU  16  -8.705  -5.867  -2.394
  190    HA   GLU  16           HA       GLU  16 -10.981  -6.845  -0.977
  191   1HB   GLU  16          2HB       GLU  16  -8.852  -6.698   0.152
  192   2HB   GLU  16          1HB       GLU  16  -8.741  -4.976  -0.179
  193   1HG   GLU  16          2HG       GLU  16 -10.717  -4.620   1.248
  194   2HG   GLU  16          1HG       GLU  16 -10.699  -6.334   1.649
  195    QB   GLU  16           QB       GLU  16  -8.797  -5.837  -0.013
  196    QG   GLU  16           QG       GLU  16 -10.708  -5.477   1.449
  197    H    LEU  17           H        LEU  17  -9.774  -3.675  -1.844
  198    HA   LEU  17           HA       LEU  17 -11.858  -2.195  -0.789
  199   1HB   LEU  17          2HB       LEU  17  -9.568  -1.760  -2.412
  200   2HB   LEU  17          1HB       LEU  17 -10.898  -0.800  -3.005
  201    HG   LEU  17           HG       LEU  17  -9.681  -0.776  -0.219
  202   1HD1  LEU  17          2HD1      LEU  17  -8.388   0.364  -1.916
  203   2HD1  LEU  17          1HD1      LEU  17  -9.786   1.359  -2.327
  204   3HD1  LEU  17          3HD1      LEU  17  -9.054   1.480  -0.722
  205   1HD2  LEU  17          2HD2      LEU  17 -12.053   0.772  -1.261
  206   2HD2  LEU  17          1HD2      LEU  17 -12.072  -0.415   0.038
  207   3HD2  LEU  17          3HD2      LEU  17 -11.219   1.114   0.249
  208    MD1  LEU  17           QD1      LEU  17  -9.076   1.067  -1.655
  209    MD2  LEU  17           QD2      LEU  17 -11.782   0.490  -0.325
  210    QB   LEU  17           QB       LEU  17 -10.233  -1.280  -2.708
  211    QD   LEU  17           QQD      LEU  17 -10.429   0.779  -0.990
  212    H    ILE  18           H        ILE  18 -11.423  -3.567  -3.982
  213    HA   ILE  18           HA       ILE  18 -13.592  -2.477  -5.365
  214    HB   ILE  18           HB       ILE  18 -12.777  -5.400  -5.483
  215   1HG1  ILE  18          2HG1      ILE  18 -10.832  -3.916  -5.662
  216   2HG1  ILE  18          1HG1      ILE  18 -11.120  -4.807  -7.164
  217   1HG2  ILE  18          2HG2      ILE  18 -14.820  -4.890  -6.697
  218   2HG2  ILE  18          1HG2      ILE  18 -13.988  -3.627  -7.595
  219   3HG2  ILE  18          3HG2      ILE  18 -13.517  -5.314  -7.809
  220   1HD1  ILE  18          3HD1      ILE  18 -12.091  -2.740  -8.091
  221   2HD1  ILE  18          2HD1      ILE  18 -11.722  -1.927  -6.553
  222   3HD1  ILE  18          1HD1      ILE  18 -10.415  -2.575  -7.552
  223    MG   ILE  18           QG2      ILE  18 -14.108  -4.610  -7.367
  224    MD   ILE  18           QD1      ILE  18 -11.409  -2.414  -7.398
  225    QG   ILE  18           QG1      ILE  18 -10.976  -4.362  -6.413
  226    H    TYR  19           H        TYR  19 -13.457  -5.288  -3.306
  227    HA   TYR  19           HA       TYR  19 -16.149  -6.091  -3.357
  228   1HB   TYR  19          2HB       TYR  19 -14.278  -7.494  -2.683
  229   2HB   TYR  19          1HB       TYR  19 -13.953  -6.449  -1.318
  230    HD1  TYR  19          1HD       TYR  19 -16.251  -8.968  -2.703
  231    HD2  TYR  19          2HD       TYR  19 -15.152  -6.719   0.731
  232    HE1  TYR  19          1HE       TYR  19 -17.593 -10.464  -1.298
  233    HE2  TYR  19          2HE       TYR  19 -16.500  -8.205   2.141
  234    HH   TYR  19           HH       TYR  19 -18.379  -9.724   1.914
  235    QB   TYR  19           QB       TYR  19 -14.116  -6.972  -2.000
  236    QD   TYR  19           QD       TYR  19 -15.701  -7.844  -0.986
  237    QE   TYR  19           QE       TYR  19 -17.047  -9.335   0.421
  238    QR   TYR  19           QR       TYR  19 -16.374  -8.589  -0.282
  239    H    LEU  20           H        LEU  20 -14.319  -4.128  -1.029
  240    HA   LEU  20           HA       LEU  20 -16.478  -3.640   0.731
  241   1HB   LEU  20          2HB       LEU  20 -13.909  -2.103   0.387
  242   2HB   LEU  20          1HB       LEU  20 -15.023  -1.907   1.725
  243    HG   LEU  20           HG       LEU  20 -13.516  -4.450   1.097
  244   1HD1  LEU  20          3HD1      LEU  20 -12.023  -2.692   1.832
  245   2HD1  LEU  20          2HD1      LEU  20 -13.048  -2.403   3.240
  246   3HD1  LEU  20          1HD1      LEU  20 -12.200  -3.939   3.069
  247   1HD2  LEU  20          3HD2      LEU  20 -15.226  -3.699   3.465
  248   2HD2  LEU  20          2HD2      LEU  20 -15.644  -4.879   2.219
  249   3HD2  LEU  20          1HD2      LEU  20 -14.289  -5.183   3.302
  250    MD1  LEU  20           QD1      LEU  20 -12.424  -3.011   2.714
  251    MD2  LEU  20           QD2      LEU  20 -15.053  -4.587   2.995
  252    QB   LEU  20           QB       LEU  20 -14.466  -2.005   1.056
  253    QD   LEU  20           QQD      LEU  20 -13.738  -3.799   2.854
  254    H    VAL  21           H        VAL  21 -15.292  -1.843  -2.038
  255    HA   VAL  21           HA       VAL  21 -16.818   0.493  -1.683
  256    HB   VAL  21           HB       VAL  21 -15.777  -0.789  -4.247
  257   1HG1  VAL  21          2HG1      VAL  21 -17.702   0.696  -4.710
  258   2HG1  VAL  21          1HG1      VAL  21 -16.855   1.990  -3.861
  259   3HG1  VAL  21          3HG1      VAL  21 -16.186   1.338  -5.355
  260   1HG2  VAL  21          2HG2      VAL  21 -14.775   1.530  -2.604
  261   2HG2  VAL  21          1HG2      VAL  21 -14.029  -0.058  -2.740
  262   3HG2  VAL  21          3HG2      VAL  21 -14.095   1.004  -4.147
  263    MG1  VAL  21           QG1      VAL  21 -16.914   1.341  -4.642
  264    MG2  VAL  21           QG2      VAL  21 -14.300   0.825  -3.163
  265    QG   VAL  21           QQG      VAL  21 -15.607   1.083  -3.903
  266    H    GLU  22           H        GLU  22 -17.531  -2.524  -3.375
  267    HA   GLU  22           HA       GLU  22 -20.095  -1.747  -4.282
  268   1HB   GLU  22          2HB       GLU  22 -19.058  -4.527  -3.714
  269   2HB   GLU  22          1HB       GLU  22 -20.465  -4.121  -4.684
  270   1HG   GLU  22          2HG       GLU  22 -17.594  -3.493  -5.319
  271   2HG   GLU  22          1HG       GLU  22 -18.614  -4.700  -6.100
  272    QB   GLU  22           QB       GLU  22 -19.761  -4.324  -4.199
  273    QG   GLU  22           QG       GLU  22 -18.104  -4.097  -5.709
  274    H    LYS  23           H        LYS  23 -18.956  -3.571  -1.454
  275    HA   LYS  23           HA       LYS  23 -21.412  -4.255  -0.408
  276   1HB   LYS  23          2HB       LYS  23 -19.395  -5.414   0.080
  277   2HB   LYS  23          1HB       LYS  23 -18.653  -3.961   0.709
  278   1HG   LYS  23          2HG       LYS  23 -19.195  -5.419   2.431
  279   2HG   LYS  23          1HG       LYS  23 -20.216  -3.985   2.567
  280   1HD   LYS  23          2HD       LYS  23 -22.055  -5.248   1.508
  281   2HD   LYS  23          1HD       LYS  23 -21.035  -6.688   1.480
  282   1HE   LYS  23          2HE       LYS  23 -21.967  -5.187   3.933
  283   2HE   LYS  23          1HE       LYS  23 -22.568  -6.743   3.372
  284   1HZ   LYS  23          1HZ       LYS  23 -20.253  -7.614   3.732
  285   2HZ   LYS  23          3HZ       LYS  23 -19.861  -6.167   4.528
  286   3HZ   LYS  23          2HZ       LYS  23 -21.077  -7.166   5.098
  287    QB   LYS  23           QB       LYS  23 -19.024  -4.688   0.395
  288    QD   LYS  23           QD       LYS  23 -21.545  -5.968   1.494
  289    QG   LYS  23           QG       LYS  23 -19.706  -4.702   2.499
  290    QE   LYS  23           QE       LYS  23 -22.268  -5.965   3.653
  291    QZ   LYS  23           QZ       LYS  23 -20.397  -6.983   4.453
  292    H    TYR  24           H        TYR  24 -19.256  -1.474   0.418
  293    HA   TYR  24           HA       TYR  24 -21.416  -0.631   2.187
  294   1HB   TYR  24          2HB       TYR  24 -18.490   0.056   2.385
  295   2HB   TYR  24          1HB       TYR  24 -19.743   0.682   3.465
  296    HD1  TYR  24          1HD       TYR  24 -21.282  -1.181   4.528
  297    HD2  TYR  24          2HD       TYR  24 -17.355  -1.860   3.042
  298    HE1  TYR  24          1HE       TYR  24 -21.149  -3.240   5.853
  299    HE2  TYR  24          2HE       TYR  24 -17.209  -3.921   4.374
  300    HH   TYR  24           HH       TYR  24 -18.269  -4.914   6.353
  301    QB   TYR  24           QB       TYR  24 -19.116   0.369   2.925
  302    QD   TYR  24           QD       TYR  24 -19.319  -1.520   3.785
  303    QE   TYR  24           QE       TYR  24 -19.179  -3.581   5.114
  304    QR   TYR  24           QR       TYR  24 -19.249  -2.550   4.449
  305    H    GLY  25           H        GLY  25 -20.520   0.117  -0.788
  306   1HA   GLY  25          1HA       GLY  25 -22.210   2.448  -0.588
  307   2HA   GLY  25          2HA       GLY  25 -21.632   1.704  -2.070
  308    QA   GLY  25           QA       GLY  25 -21.921   2.076  -1.329
  309    H    PHE  26           H        PHE  26 -18.941   1.996  -0.575
  310    HA   PHE  26           HA       PHE  26 -17.115   3.199  -0.831
  311   1HB   PHE  26          2HB       PHE  26 -17.781   3.468  -3.215
  312   2HB   PHE  26          1HB       PHE  26 -18.613   4.941  -2.782
  313    HD1  PHE  26          1HD       PHE  26 -15.234   3.462  -2.311
  314    HD2  PHE  26          2HD       PHE  26 -17.529   6.922  -3.210
  315    HE1  PHE  26          1HE       PHE  26 -13.156   4.746  -2.633
  316    HE2  PHE  26          2HE       PHE  26 -15.458   8.217  -3.535
  317    HZ   PHE  26           HZ       PHE  26 -13.270   7.128  -3.246
  318    QB   PHE  26           QB       PHE  26 -18.197   4.204  -2.998
  319    QD   PHE  26           QD       PHE  26 -16.381   5.192  -2.760
  320    QE   PHE  26           QE       PHE  26 -14.307   6.482  -3.084
  321    QR   PHE  26           QR       PHE  26 -14.929   6.095  -2.987
  322    H    THR  27           H        THR  27 -19.905   5.357  -0.543
  323    HA   THR  27           HA       THR  27 -18.457   7.534   0.480
  324    HB   THR  27           HB       THR  27 -20.788   8.372   1.092
  325    HG1  THR  27          1HG       THR  27 -22.352   7.055  -0.218
  326   1HG2  THR  27          1HG2      THR  27 -19.627   8.957  -0.991
  327   2HG2  THR  27          3HG2      THR  27 -20.230   7.481  -1.744
  328   3HG2  THR  27          2HG2      THR  27 -21.356   8.749  -1.263
  329    MG   THR  27           QG2      THR  27 -20.404   8.395  -1.332
  330    H    HIS  28           H        HIS  28 -19.439   4.701   1.985
  331    HA   HIS  28           HA       HIS  28 -19.751   5.598   4.644
  332   1HB   HIS  28          2HB       HIS  28 -20.394   3.321   3.914
  333   2HB   HIS  28          1HB       HIS  28 -18.718   2.952   3.558
  334    HD1  HIS  28          1HD       HIS  28 -21.045   3.500   6.533
  335    HD2  HIS  28          2HD       HIS  28 -17.251   2.053   5.644
  336    HE1  HIS  28          1HE       HIS  28 -20.192   2.417   8.635
  337    QB   HIS  28           QB       HIS  28 -19.556   3.136   3.736
  338    H    HIS  29           H        HIS  29 -18.251   6.356   6.033
  339    HA   HIS  29           HA       HIS  29 -15.884   7.340   4.988
  340   1HB   HIS  29          2HB       HIS  29 -17.102   8.384   6.863
  341   2HB   HIS  29          1HB       HIS  29 -16.560   7.096   7.926
  342    HD1  HIS  29          1HD       HIS  29 -14.630   7.833   9.337
  343    HD2  HIS  29          2HD       HIS  29 -14.641   9.665   5.610
  344    HE1  HIS  29          1HE       HIS  29 -12.681   9.405   9.328
  345    QB   HIS  29           QB       HIS  29 -16.831   7.740   7.395
  346    H    LYS  30           H        LYS  30 -16.306   4.326   6.759
  347    HA   LYS  30           HA       LYS  30 -13.540   3.945   7.137
  348   1HB   LYS  30          2HB       LYS  30 -15.752   1.901   7.012
  349   2HB   LYS  30          1HB       LYS  30 -14.076   1.485   7.323
  350   1HG   LYS  30          2HG       LYS  30 -15.807   3.271   9.008
  351   2HG   LYS  30          1HG       LYS  30 -15.325   1.615   9.387
  352   1HD   LYS  30          2HD       LYS  30 -12.938   2.373   9.343
  353   2HD   LYS  30          1HD       LYS  30 -13.515   4.023   9.133
  354   1HE   LYS  30          2HE       LYS  30 -13.005   3.662  11.455
  355   2HE   LYS  30          1HE       LYS  30 -14.748   3.828  11.267
  356   1HZ   LYS  30          1HZ       LYS  30 -13.281   1.272  11.527
  357   2HZ   LYS  30          3HZ       LYS  30 -14.161   2.023  12.749
  358   3HZ   LYS  30          2HZ       LYS  30 -14.949   1.424  11.380
  359    QB   LYS  30           QB       LYS  30 -14.914   1.693   7.167
  360    QD   LYS  30           QD       LYS  30 -13.226   3.198   9.238
  361    QG   LYS  30           QG       LYS  30 -15.566   2.443   9.197
  362    QE   LYS  30           QE       LYS  30 -13.877   3.745  11.361
  363    QZ   LYS  30           QZ       LYS  30 -14.131   1.573  11.885
  364    H    VAL  31           H        VAL  31 -15.552   3.375   4.352
  365    HA   VAL  31           HA       VAL  31 -13.618   1.806   2.956
  366    HB   VAL  31           HB       VAL  31 -15.803   3.550   1.752
  367   1HG1  VAL  31          3HG1      VAL  31 -14.264   1.225   0.612
  368   2HG1  VAL  31          2HG1      VAL  31 -15.646   1.977  -0.169
  369   3HG1  VAL  31          1HG1      VAL  31 -14.162   2.906   0.099
  370   1HG2  VAL  31          2HG2      VAL  31 -16.758   1.944   3.322
  371   2HG2  VAL  31          1HG2      VAL  31 -17.165   1.518   1.657
  372   3HG2  VAL  31          3HG2      VAL  31 -15.904   0.630   2.513
  373    MG1  VAL  31           QG1      VAL  31 -14.690   2.036   0.181
  374    MG2  VAL  31           QG2      VAL  31 -16.609   1.364   2.497
  375    QG   VAL  31           QQG      VAL  31 -15.650   1.700   1.339
  376    H    ILE  32           H        ILE  32 -14.387   5.200   3.189
  377    HA   ILE  32           HA       ILE  32 -12.475   6.202   1.378
  378    HB   ILE  32           HB       ILE  32 -13.531   7.523   3.909
  379   1HG1  ILE  32          2HG1      ILE  32 -14.575   7.675   1.065
  380   2HG1  ILE  32          1HG1      ILE  32 -15.331   6.787   2.381
  381   1HG2  ILE  32          2HG2      ILE  32 -11.548   8.655   3.042
  382   2HG2  ILE  32          1HG2      ILE  32 -12.287   8.752   1.442
  383   3HG2  ILE  32          3HG2      ILE  32 -12.985   9.647   2.793
  384   1HD1  ILE  32          1HD1      ILE  32 -14.956   9.772   2.252
  385   2HD1  ILE  32          3HD1      ILE  32 -16.458   8.895   1.960
  386   3HD1  ILE  32          2HD1      ILE  32 -15.731   8.891   3.566
  387    MG   ILE  32           QG2      ILE  32 -12.273   9.018   2.425
  388    MD   ILE  32           QD1      ILE  32 -15.715   9.186   2.593
  389    QG   ILE  32           QG1      ILE  32 -14.953   7.231   1.723
  390    H    SER  33           H        SER  33 -12.315   5.340   4.782
  391    HA   SER  33           HA       SER  33  -9.703   6.216   5.317
  392   1HB   SER  33          2HB       SER  33 -11.416   5.589   7.039
  393   2HB   SER  33          1HB       SER  33 -11.203   3.905   6.584
  394    HG   SER  33           HG       SER  33  -9.725   5.501   8.168
  395    QB   SER  33           QB       SER  33 -11.309   4.747   6.812
  396    H    PHE  34           H        PHE  34 -10.981   3.064   4.232
  397    HA   PHE  34           HA       PHE  34  -8.499   1.727   4.143
  398   1HB   PHE  34          2HB       PHE  34 -10.918   1.154   2.410
  399   2HB   PHE  34          1HB       PHE  34  -9.596   0.048   2.736
  400    HD1  PHE  34          1HD       PHE  34 -12.711  -0.085   3.175
  401    HD2  PHE  34          2HD       PHE  34  -9.378   0.557   5.737
  402    HE1  PHE  34          1HE       PHE  34 -14.004  -0.956   5.055
  403    HE2  PHE  34          2HE       PHE  34 -10.672  -0.318   7.641
  404    HZ   PHE  34           HZ       PHE  34 -12.990  -1.077   7.306
  405    QB   PHE  34           QB       PHE  34 -10.257   0.601   2.573
  406    QD   PHE  34           QD       PHE  34 -11.044   0.236   4.456
  407    QE   PHE  34           QE       PHE  34 -12.338  -0.637   6.348
  408    QR   PHE  34           QR       PHE  34 -11.951  -0.376   5.783
  409    H    SER  35           H        SER  35 -10.152   3.754   1.843
  410    HA   SER  35           HA       SER  35  -8.492   3.287  -0.391
  411   1HB   SER  35          2HB       SER  35 -10.042   5.784   0.343
  412   2HB   SER  35          1HB       SER  35  -9.436   5.377  -1.264
  413    HG   SER  35           HG       SER  35 -11.440   3.988   0.225
  414    QB   SER  35           QB       SER  35  -9.739   5.581  -0.461
  415    H    GLN  36           H        GLN  36  -8.292   5.573   2.264
  416    HA   GLN  36           HA       GLN  36  -5.966   6.880   1.274
  417   1HB   GLN  36          2HB       GLN  36  -7.165   6.796   4.042
  418   2HB   GLN  36          1HB       GLN  36  -5.846   7.854   3.561
  419   1HG   GLN  36          2HG       GLN  36  -7.268   8.966   1.963
  420   2HG   GLN  36          1HG       GLN  36  -8.585   7.850   2.321
  421   1HE2  GLN  36          1HE2      GLN  36  -9.713   8.080   4.192
  422   2HE2  GLN  36          2HE2      GLN  36  -9.620   9.486   5.192
  423    QB   GLN  36           QB       GLN  36  -6.506   7.325   3.802
  424    QG   GLN  36           QG       GLN  36  -7.927   8.408   2.142
  425    QE   GLN  36           QE2      GLN  36  -9.666   8.783   4.692
  426    H    GLU  37           H        GLU  37  -6.588   4.150   3.299
  427    HA   GLU  37           HA       GLU  37  -3.990   3.734   4.321
  428   1HB   GLU  37          2HB       GLU  37  -6.002   2.675   5.258
  429   2HB   GLU  37          1HB       GLU  37  -6.231   1.776   3.772
  430   1HG   GLU  37          2HG       GLU  37  -4.209   0.517   4.184
  431   2HG   GLU  37          1HG       GLU  37  -3.887   1.472   5.632
  432    QB   GLU  37           QB       GLU  37  -6.116   2.226   4.515
  433    QG   GLU  37           QG       GLU  37  -4.048   0.994   4.908
  434    H    LEU  38           H        LEU  38  -5.658   2.520   1.439
  435    HA   LEU  38           HA       LEU  38  -3.545   0.933   0.429
  436   1HB   LEU  38          2HB       LEU  38  -5.970   0.883  -0.316
  437   2HB   LEU  38          1HB       LEU  38  -5.685   2.379  -1.156
  438    HG   LEU  38           HG       LEU  38  -4.184  -0.162  -1.858
  439   1HD1  LEU  38          1HD1      LEU  38  -6.723   0.932  -3.028
  440   2HD1  LEU  38          3HD1      LEU  38  -5.780  -0.396  -3.692
  441   3HD1  LEU  38          2HD1      LEU  38  -6.551  -0.580  -2.121
  442   1HD2  LEU  38          1HD2      LEU  38  -3.194   1.936  -2.697
  443   2HD2  LEU  38          3HD2      LEU  38  -3.829   0.945  -4.010
  444   3HD2  LEU  38          2HD2      LEU  38  -4.734   2.353  -3.453
  445    MD1  LEU  38           QD1      LEU  38  -6.351  -0.015  -2.947
  446    MD2  LEU  38           QD2      LEU  38  -3.919   1.745  -3.387
  447    QB   LEU  38           QB       LEU  38  -5.828   1.631  -0.736
  448    QD   LEU  38           QQD      LEU  38  -5.135   0.865  -3.167
  449    H    ASP  39           H        ASP  39  -4.514   4.272  -0.097
  450    HA   ASP  39           HA       ASP  39  -2.628   5.050  -1.962
  451   1HB   ASP  39          2HB       ASP  39  -4.482   6.481  -1.383
  452   2HB   ASP  39          1HB       ASP  39  -3.886   6.656   0.263
  453    QB   ASP  39           QB       ASP  39  -4.184   6.569  -0.560
  454    H    ARG  40           H        ARG  40  -2.291   4.768   1.517
  455    HA   ARG  40           HA       ARG  40   0.236   6.026   1.784
  456   1HB   ARG  40          2HB       ARG  40  -0.969   3.800   3.438
  457   2HB   ARG  40          1HB       ARG  40   0.456   4.719   3.894
  458   1HG   ARG  40          2HG       ARG  40  -0.865   6.745   4.030
  459   2HG   ARG  40          1HG       ARG  40  -2.292   5.868   3.476
  460   1HD   ARG  40          2HD       ARG  40  -2.139   4.424   5.472
  461   2HD   ARG  40          1HD       ARG  40  -0.766   5.382   6.027
  462    HE   ARG  40           HE       ARG  40  -2.700   7.220   5.606
  463   1HH1  ARG  40          1HH1      ARG  40  -2.565   4.263   7.614
  464   2HH1  ARG  40          2HH1      ARG  40  -3.674   4.863   8.743
  465   1HH2  ARG  40          1HH2      ARG  40  -4.238   7.983   7.211
  466   2HH2  ARG  40          2HH2      ARG  40  -4.638   6.974   8.518
  467    QB   ARG  40           QB       ARG  40  -0.256   4.259   3.666
  468    QG   ARG  40           QG       ARG  40  -1.578   6.307   3.753
  469    QD   ARG  40           QD       ARG  40  -1.452   4.903   5.750
  470    QH1  ARG  40           QH1      ARG  40  -3.119   4.563   8.179
  471    QH2  ARG  40           QH2      ARG  40  -4.438   7.478   7.864
  472    H    LEU  41           H        LEU  41  -0.677   2.659   1.235
  473    HA   LEU  41           HA       LEU  41   1.976   1.617   1.179
  474   1HB   LEU  41          2HB       LEU  41  -0.561   0.522  -0.036
  475   2HB   LEU  41          1HB       LEU  41   0.925  -0.378   0.180
  476    HG   LEU  41           HG       LEU  41  -0.815   0.702   2.402
  477   1HD1  LEU  41          2HD1      LEU  41  -1.872  -1.128   1.203
  478   2HD1  LEU  41          1HD1      LEU  41  -0.419  -2.109   1.403
  479   3HD1  LEU  41          3HD1      LEU  41  -1.372  -1.637   2.812
  480   1HD2  LEU  41          2HD2      LEU  41   1.638  -1.062   2.497
  481   2HD2  LEU  41          1HD2      LEU  41   1.545   0.610   3.049
  482   3HD2  LEU  41          3HD2      LEU  41   0.620  -0.643   3.876
  483    MD1  LEU  41           QD1      LEU  41  -1.221  -1.625   1.806
  484    MD2  LEU  41           QD2      LEU  41   1.268  -0.365   3.141
  485    QB   LEU  41           QB       LEU  41   0.182   0.072   0.072
  486    QD   LEU  41           QQD      LEU  41   0.023  -0.995   2.473
  487    H    LEU  42           H        LEU  42  -0.303   2.667  -1.255
  488    HA   LEU  42           HA       LEU  42   1.128   2.059  -3.591
  489   1HB   LEU  42          2HB       LEU  42  -1.199   2.645  -3.605
  490   2HB   LEU  42          1HB       LEU  42  -0.846   4.240  -2.973
  491    HG   LEU  42           HG       LEU  42   0.402   4.688  -5.107
  492   1HD1  LEU  42          1HD1      LEU  42  -0.969   2.161  -5.999
  493   2HD1  LEU  42          3HD1      LEU  42  -0.147   3.314  -7.049
  494   3HD1  LEU  42          2HD1      LEU  42   0.768   2.412  -5.843
  495   1HD2  LEU  42          3HD2      LEU  42  -2.550   4.118  -5.258
  496   2HD2  LEU  42          2HD2      LEU  42  -1.777   5.594  -4.670
  497   3HD2  LEU  42          1HD2      LEU  42  -1.633   5.143  -6.365
  498    MD1  LEU  42           QD1      LEU  42  -0.116   2.629  -6.297
  499    MD2  LEU  42           QD2      LEU  42  -1.987   4.952  -5.431
  500    QB   LEU  42           QB       LEU  42  -1.023   3.442  -3.289
  501    QD   LEU  42           QQD      LEU  42  -1.051   3.790  -5.864
  502    H    ASN  43           H        ASN  43   1.096   4.902  -1.532
  503    HA   ASN  43           HA       ASN  43   2.729   6.551  -3.092
  504   1HB   ASN  43          2HB       ASN  43   1.267   7.262  -1.159
  505   2HB   ASN  43          1HB       ASN  43   2.499   6.620  -0.081
  506   1HD2  ASN  43          1HD2      ASN  43   1.681   9.083  -2.339
  507   2HD2  ASN  43          2HD2      ASN  43   2.986  10.154  -1.976
  508    QB   ASN  43           QB       ASN  43   1.883   6.941  -0.620
  509    QD   ASN  43           QD2      ASN  43   2.334   9.618  -2.158
  510    H    LEU  44           H        LEU  44   3.454   3.933  -0.964
  511    HA   LEU  44           HA       LEU  44   6.188   4.577  -0.612
  512   1HB   LEU  44          2HB       LEU  44   4.733   1.952  -0.378
  513   2HB   LEU  44          1HB       LEU  44   6.419   2.173   0.066
  514    HG   LEU  44           HG       LEU  44   4.056   3.535   1.366
  515   1HD1  LEU  44          2HD1      LEU  44   5.816   1.285   2.321
  516   2HD1  LEU  44          1HD1      LEU  44   4.579   2.103   3.281
  517   3HD1  LEU  44          3HD1      LEU  44   4.119   1.164   1.859
  518   1HD2  LEU  44          1HD2      LEU  44   6.990   3.547   2.084
  519   2HD2  LEU  44          3HD2      LEU  44   6.071   4.914   1.450
  520   3HD2  LEU  44          2HD2      LEU  44   5.693   4.259   3.041
  521    MD1  LEU  44           QD1      LEU  44   4.838   1.518   2.487
  522    MD2  LEU  44           QD2      LEU  44   6.251   4.240   2.192
  523    QB   LEU  44           QB       LEU  44   5.576   2.062  -0.156
  524    QD   LEU  44           QQD      LEU  44   5.545   2.879   2.339
  525    H    LEU  45           H        LEU  45   4.421   2.752  -3.071
  526    HA   LEU  45           HA       LEU  45   6.757   1.859  -4.458
  527   1HB   LEU  45          2HB       LEU  45   3.972   2.382  -5.503
  528   2HB   LEU  45          1HB       LEU  45   5.258   1.690  -6.464
  529    HG   LEU  45           HG       LEU  45   3.970   0.419  -4.048
  530   1HD1  LEU  45          2HD1      LEU  45   3.805  -0.172  -7.002
  531   2HD1  LEU  45          1HD1      LEU  45   3.118  -1.174  -5.723
  532   3HD1  LEU  45          3HD1      LEU  45   2.516   0.462  -5.978
  533   1HD2  LEU  45          3HD2      LEU  45   6.090  -0.633  -5.933
  534   2HD2  LEU  45          2HD2      LEU  45   6.338  -0.205  -4.239
  535   3HD2  LEU  45          1HD2      LEU  45   5.291  -1.559  -4.661
  536    MD1  LEU  45           QD1      LEU  45   3.147  -0.295  -6.234
  537    MD2  LEU  45           QD2      LEU  45   5.906  -0.799  -4.944
  538    QB   LEU  45           QB       LEU  45   4.615   2.036  -5.984
  539    QD   LEU  45           QQD      LEU  45   4.527  -0.547  -5.589
  540    H    ILE  46           H        ILE  46   4.775   4.715  -4.582
  541    HA   ILE  46           HA       ILE  46   5.998   6.011  -6.758
  542    HB   ILE  46           HB       ILE  46   4.634   7.185  -4.307
  543   1HG1  ILE  46          2HG1      ILE  46   3.538   6.546  -7.055
  544   2HG1  ILE  46          1HG1      ILE  46   3.207   5.644  -5.580
  545   1HG2  ILE  46          1HG2      ILE  46   5.233   8.466  -6.966
  546   2HG2  ILE  46          3HG2      ILE  46   4.262   9.184  -5.682
  547   3HG2  ILE  46          2HG2      ILE  46   5.982   8.871  -5.421
  548   1HD1  ILE  46          2HD1      ILE  46   2.080   7.627  -4.659
  549   2HD1  ILE  46          1HD1      ILE  46   2.400   8.489  -6.158
  550   3HD1  ILE  46          3HD1      ILE  46   1.346   7.076  -6.164
  551    MG   ILE  46           QG2      ILE  46   5.159   8.840  -6.023
  552    MD   ILE  46           QD1      ILE  46   1.942   7.731  -5.660
  553    QG   ILE  46           QG1      ILE  46   3.373   6.095  -6.318
  554    H    GLU  47           H        GLU  47   6.619   5.996  -3.312
  555    HA   GLU  47           HA       GLU  47   8.686   7.805  -3.067
  556   1HB   GLU  47          2HB       GLU  47   7.462   6.597  -1.228
  557   2HB   GLU  47          1HB       GLU  47   8.433   5.182  -1.591
  558   1HG   GLU  47          2HG       GLU  47   9.434   6.218   0.261
  559   2HG   GLU  47          1HG       GLU  47  10.450   6.596  -1.134
  560    QB   GLU  47           QB       GLU  47   7.947   5.890  -1.409
  561    QG   GLU  47           QG       GLU  47   9.942   6.407  -0.437
  562    H    LEU  48           H        LEU  48   8.893   4.292  -3.665
  563    HA   LEU  48           HA       LEU  48  11.683   4.217  -3.909
  564   1HB   LEU  48          2HB       LEU  48   9.536   2.323  -4.740
  565   2HB   LEU  48          1HB       LEU  48  11.150   2.069  -5.357
  566    HG   LEU  48           HG       LEU  48  10.781   0.655  -3.441
  567   1HD1  LEU  48          3HD1      LEU  48  13.005   1.503  -3.775
  568   2HD1  LEU  48          2HD1      LEU  48  12.655   2.884  -2.730
  569   3HD1  LEU  48          1HD1      LEU  48  12.661   1.256  -2.064
  570   1HD2  LEU  48          1HD2      LEU  48   9.071   1.948  -2.265
  571   2HD2  LEU  48          3HD2      LEU  48  10.408   1.537  -1.191
  572   3HD2  LEU  48          2HD2      LEU  48  10.275   3.168  -1.848
  573    MD1  LEU  48           QD1      LEU  48  12.774   1.881  -2.856
  574    MD2  LEU  48           QD2      LEU  48   9.918   2.218  -1.768
  575    QB   LEU  48           QB       LEU  48  10.343   2.196  -5.048
  576    QD   LEU  48           QQD      LEU  48  11.346   2.049  -2.312
  577    H    LYS  49           H        LYS  49   9.285   4.886  -6.331
  578    HA   LYS  49           HA       LYS  49  11.040   4.859  -8.568
  579   1HB   LYS  49          2HB       LYS  49   8.472   6.381  -8.087
  580   2HB   LYS  49          1HB       LYS  49   9.289   6.289  -9.640
  581   1HG   LYS  49          2HG       LYS  49   8.922   3.918  -9.754
  582   2HG   LYS  49          1HG       LYS  49   8.254   3.908  -8.121
  583   1HD   LYS  49          2HD       LYS  49   6.379   5.244  -8.829
  584   2HD   LYS  49          1HD       LYS  49   7.081   5.440 -10.433
  585   1HE   LYS  49          2HE       LYS  49   5.293   3.753 -10.412
  586   2HE   LYS  49          1HE       LYS  49   6.850   3.068 -10.858
  587   1HZ   LYS  49          1HZ       LYS  49   5.661   2.919  -8.152
  588   2HZ   LYS  49          3HZ       LYS  49   5.591   1.697  -9.316
  589   3HZ   LYS  49          2HZ       LYS  49   7.088   2.133  -8.711
  590    QB   LYS  49           QB       LYS  49   8.880   6.335  -8.863
  591    QD   LYS  49           QD       LYS  49   6.730   5.342  -9.631
  592    QG   LYS  49           QG       LYS  49   8.588   3.913  -8.938
  593    QE   LYS  49           QE       LYS  49   6.071   3.411 -10.635
  594    QZ   LYS  49           QZ       LYS  49   6.113   2.250  -8.727
  595    H    THR  50           H        THR  50  10.087   7.273  -6.252
  596    HA   THR  50           HA       THR  50  11.445   9.454  -7.457
  597    HB   THR  50           HB       THR  50  10.492   9.175  -4.590
  598    HG1  THR  50          1HG       THR  50   8.758   8.732  -5.963
  599   1HG2  THR  50          2HG2      THR  50  10.838  11.594  -6.380
  600   2HG2  THR  50          1HG2      THR  50  10.224  11.618  -4.728
  601   3HG2  THR  50          3HG2      THR  50  11.898  11.157  -5.041
  602    MG   THR  50           QG2      THR  50  10.987  11.456  -5.383
  603    H    LYS  51           H        LYS  51  12.402   6.839  -5.450
  604    HA   LYS  51           HA       LYS  51  14.732   8.020  -4.289
  605   1HB   LYS  51          2HB       LYS  51  14.001   5.115  -4.640
  606   2HB   LYS  51          1HB       LYS  51  15.436   5.672  -3.794
  607   1HG   LYS  51          2HG       LYS  51  12.566   6.185  -3.019
  608   2HG   LYS  51          1HG       LYS  51  13.721   5.143  -2.190
  609   1HD   LYS  51          2HD       LYS  51  15.129   7.118  -1.722
  610   2HD   LYS  51          1HD       LYS  51  13.931   8.136  -2.518
  611   1HE   LYS  51          2HE       LYS  51  12.263   7.405  -0.861
  612   2HE   LYS  51          1HE       LYS  51  13.528   6.506  -0.022
  613   1HZ   LYS  51          2HZ       LYS  51  13.506   9.414  -0.530
  614   2HZ   LYS  51          1HZ       LYS  51  13.152   8.697   0.953
  615   3HZ   LYS  51          3HZ       LYS  51  14.719   8.588   0.306
  616    QB   LYS  51           QB       LYS  51  14.718   5.394  -4.217
  617    QD   LYS  51           QD       LYS  51  14.530   7.627  -2.120
  618    QG   LYS  51           QG       LYS  51  13.144   5.664  -2.605
  619    QE   LYS  51           QE       LYS  51  12.895   6.956  -0.442
  620    QZ   LYS  51           QZ       LYS  51  13.792   8.900   0.243
  621    H    LYS  52           H        LYS  52  14.059   6.918  -7.367
  622    HA   LYS  52           HA       LYS  52  15.186   6.760  -9.316
  623   1HB   LYS  52          2HB       LYS  52  16.885   8.481  -9.788
  624   2HB   LYS  52          1HB       LYS  52  15.477   9.139  -8.971
  625   1HG   LYS  52          2HG       LYS  52  16.742   9.165  -6.875
  626   2HG   LYS  52          1HG       LYS  52  18.144   8.514  -7.714
  627   1HD   LYS  52          2HD       LYS  52  18.201  10.505  -9.134
  628   2HD   LYS  52          1HD       LYS  52  16.789  11.148  -8.292
  629   1HE   LYS  52          2HE       LYS  52  18.039  11.171  -6.197
  630   2HE   LYS  52          1HE       LYS  52  19.447  10.505  -7.012
  631   1HZ   LYS  52          2HZ       LYS  52  19.443  12.502  -8.424
  632   2HZ   LYS  52          1HZ       LYS  52  18.200  13.149  -7.502
  633   3HZ   LYS  52          3HZ       LYS  52  19.709  12.853  -6.797
  634    QB   LYS  52           QB       LYS  52  16.181   8.810  -9.379
  635    QD   LYS  52           QD       LYS  52  17.495  10.826  -8.713
  636    QG   LYS  52           QG       LYS  52  17.443   8.840  -7.294
  637    QE   LYS  52           QE       LYS  52  18.743  10.838  -6.604
  638    QZ   LYS  52           QZ       LYS  52  19.117  12.835  -7.575
  639    H    LYS  53           H        LYS  53  16.578   5.353  -6.828
  640    HA   LYS  53           HA       LYS  53  19.197   4.881  -7.858
  641   1HB   LYS  53          2HB       LYS  53  19.432   3.328  -5.953
  642   2HB   LYS  53          1HB       LYS  53  18.925   4.953  -5.517
  643   1HG   LYS  53          2HG       LYS  53  16.642   4.208  -5.207
  644   2HG   LYS  53          1HG       LYS  53  17.080   2.568  -5.712
  645   1HD   LYS  53          2HD       LYS  53  18.198   4.029  -3.311
  646   2HD   LYS  53          1HD       LYS  53  16.907   2.836  -3.244
  647   1HE   LYS  53          2HE       LYS  53  19.693   2.280  -4.280
  648   2HE   LYS  53          1HE       LYS  53  19.167   1.941  -2.628
  649   1HZ   LYS  53          3HZ       LYS  53  17.518   0.387  -3.600
  650   2HZ   LYS  53          2HZ       LYS  53  18.167   0.673  -5.137
  651   3HZ   LYS  53          1HZ       LYS  53  19.097  -0.016  -3.954
  652    QB   LYS  53           QB       LYS  53  19.178   4.141  -5.735
  653    QD   LYS  53           QD       LYS  53  17.552   3.432  -3.278
  654    QG   LYS  53           QG       LYS  53  16.861   3.388  -5.459
  655    QE   LYS  53           QE       LYS  53  19.430   2.110  -3.454
  656    QZ   LYS  53           QZ       LYS  53  18.261   0.348  -4.230
  657    H    ARG  54           H        ARG  54  16.188   3.332  -8.235
  658    HA   ARG  54           HA       ARG  54  17.521   0.977  -9.295
  659   1HB   ARG  54          2HB       ARG  54  14.659   1.462  -8.527
  660   2HB   ARG  54          1HB       ARG  54  15.134   0.072  -9.490
  661   1HG   ARG  54          2HG       ARG  54  16.647  -0.634  -7.696
  662   2HG   ARG  54          1HG       ARG  54  16.118   0.742  -6.729
  663   1HD   ARG  54          2HD       ARG  54  15.002  -1.362  -6.143
  664   2HD   ARG  54          1HD       ARG  54  13.867  -0.105  -6.659
  665    HE   ARG  54           HE       ARG  54  14.184  -1.416  -8.925
  666   1HH1  ARG  54          1HH1      ARG  54  13.913  -2.838  -5.682
  667   2HH1  ARG  54          2HH1      ARG  54  13.058  -4.201  -6.226
  668   1HH2  ARG  54          1HH2      ARG  54  12.962  -3.250  -9.630
  669   2HH2  ARG  54          2HH2      ARG  54  12.453  -4.426  -8.514
  670    QB   ARG  54           QB       ARG  54  14.897   0.767  -9.009
  671    QG   ARG  54           QG       ARG  54  16.382   0.054  -7.213
  672    QD   ARG  54           QD       ARG  54  14.434  -0.733  -6.401
  673    QH1  ARG  54           QH1      ARG  54  13.485  -3.519  -5.954
  674    QH2  ARG  54           QH2      ARG  54  12.708  -3.838  -9.072
  675    H    TYR  55           H        TYR  55  15.926   0.064 -11.271
  676    HA   TYR  55           HA       TYR  55  16.474   1.965 -13.375
  677   1HB   TYR  55          2HB       TYR  55  15.509  -0.904 -13.454
  678   2HB   TYR  55          1HB       TYR  55  15.876   0.064 -14.877
  679    HD1  TYR  55          1HD       TYR  55  18.091   0.234 -15.671
  680    HD2  TYR  55          2HD       TYR  55  17.366  -1.341 -11.801
  681    HE1  TYR  55          1HE       TYR  55  20.455  -0.432 -15.504
  682    HE2  TYR  55          2HE       TYR  55  19.718  -2.021 -11.624
  683    HH   TYR  55           HH       TYR  55  22.093  -0.972 -13.867
  684    QB   TYR  55           QB       TYR  55  15.693  -0.420 -14.165
  685    QD   TYR  55           QD       TYR  55  17.729  -0.554 -13.736
  686    QE   TYR  55           QE       TYR  55  20.086  -1.226 -13.564
  687    QR   TYR  55           QR       TYR  55  18.908  -0.890 -13.650
  688    H    SER  56           H        SER  56  14.240   2.342 -11.511
  689    HA   SER  56           HA       SER  56  11.834   1.776 -12.964
  690   1HB   SER  56          2HB       SER  56  11.885   1.643 -10.499
  691   2HB   SER  56          1HB       SER  56  12.185   3.378 -10.420
  692    HG   SER  56           HG       SER  56  10.190   3.580 -11.645
  693    QB   SER  56           QB       SER  56  12.035   2.510 -10.460
  694    H    LEU  57           H        LEU  57  14.126   4.164 -13.373
  695    HA   LEU  57           HA       LEU  57  12.181   6.220 -14.059
  696   1HB   LEU  57          2HB       LEU  57  15.180   6.265 -14.461
  697   2HB   LEU  57          1HB       LEU  57  14.084   7.605 -14.637
  698    HG   LEU  57           HG       LEU  57  14.719   6.220 -12.035
  699   1HD1  LEU  57          2HD1      LEU  57  15.534   8.896 -13.138
  700   2HD1  LEU  57          1HD1      LEU  57  15.821   8.342 -11.489
  701   3HD1  LEU  57          3HD1      LEU  57  16.584   7.511 -12.844
  702   1HD2  LEU  57          1HD2      LEU  57  12.429   7.087 -12.083
  703   2HD2  LEU  57          3HD2      LEU  57  13.455   8.027 -11.002
  704   3HD2  LEU  57          2HD2      LEU  57  13.035   8.666 -12.593
  705    MD1  LEU  57           QD1      LEU  57  15.980   8.250 -12.490
  706    MD2  LEU  57           QD2      LEU  57  12.973   7.927 -11.893
  707    QB   LEU  57           QB       LEU  57  14.632   6.935 -14.549
  708    QD   LEU  57           QQD      LEU  57  14.476   8.088 -12.191
  709    H    LEU  58           H        LEU  58  13.490   3.514 -15.416
  710    HA   LEU  58           HA       LEU  58  13.449   4.451 -18.153
  711   1HB   LEU  58          2HB       LEU  58  13.587   1.629 -17.066
  712   2HB   LEU  58          1HB       LEU  58  13.803   2.077 -18.742
  713    HG   LEU  58           HG       LEU  58  15.651   2.779 -16.457
  714   1HD1  LEU  58          3HD1      LEU  58  15.767   0.442 -17.109
  715   2HD1  LEU  58          2HD1      LEU  58  15.993   0.910 -18.794
  716   3HD1  LEU  58          1HD1      LEU  58  17.227   1.304 -17.598
  717   1HD2  LEU  58          2HD2      LEU  58  15.873   3.407 -19.405
  718   2HD2  LEU  58          1HD2      LEU  58  15.627   4.576 -18.109
  719   3HD2  LEU  58          3HD2      LEU  58  17.138   3.672 -18.207
  720    MD1  LEU  58           QD1      LEU  58  16.329   0.885 -17.834
  721    MD2  LEU  58           QD2      LEU  58  16.213   3.885 -18.574
  722    QB   LEU  58           QB       LEU  58  13.695   1.853 -17.904
  723    QD   LEU  58           QQD      LEU  58  16.271   2.385 -18.204
  724    H    GLU  59           H        GLU  59  11.421   2.805 -15.883
  725    HA   GLU  59           HA       GLU  59   9.302   2.433 -17.831
  726   1HB   GLU  59          2HB       GLU  59   9.415   1.792 -14.874
  727   2HB   GLU  59          1HB       GLU  59   8.073   1.404 -15.935
  728   1HG   GLU  59          2HG       GLU  59   9.529  -0.111 -17.192
  729   2HG   GLU  59          1HG       GLU  59  10.867   0.290 -16.111
  730    QB   GLU  59           QB       GLU  59   8.744   1.598 -15.404
  731    QG   GLU  59           QG       GLU  59  10.198   0.089 -16.652
  732    H    HIS  60           H        HIS  60   8.501   4.441 -18.265
  733    HA   HIS  60           HA       HIS  60   8.378   6.405 -16.237
  734   1HB   HIS  60          2HB       HIS  60   7.276   7.930 -17.855
  735   2HB   HIS  60          1HB       HIS  60   8.741   7.219 -18.478
  736    HD1  HIS  60          1HD       HIS  60   5.016   7.248 -19.030
  737    HD2  HIS  60          2HD       HIS  60   8.463   5.692 -20.737
  738    HE1  HIS  60          1HE       HIS  60   4.365   6.464 -21.316
  739    QB   HIS  60           QB       HIS  60   8.009   7.575 -18.166
  740    H    HIS  61           H        HIS  61   6.825   7.295 -15.168
  741    HA   HIS  61           HA       HIS  61   4.354   5.732 -14.879
  742   1HB   HIS  61          2HB       HIS  61   4.721   5.969 -12.382
  743   2HB   HIS  61          1HB       HIS  61   5.806   4.866 -13.218
  744    HD1  HIS  61          1HD       HIS  61   5.808   8.077 -11.270
  745    HD2  HIS  61          2HD       HIS  61   8.492   5.720 -13.389
  746    HE1  HIS  61          1HE       HIS  61   8.097   8.964 -10.739
  747    QB   HIS  61           QB       HIS  61   5.263   5.418 -12.800
  748    H    HIS  62           H        HIS  62   5.460   8.635 -15.613
  749    HA   HIS  62           HA       HIS  62   3.974  10.325 -13.873
  750   1HB   HIS  62          2HB       HIS  62   4.548  12.160 -15.367
  751   2HB   HIS  62          1HB       HIS  62   5.964  11.152 -15.126
  752    HD1  HIS  62          1HD       HIS  62   4.705  13.068 -17.675
  753    HD2  HIS  62          2HD       HIS  62   5.726   9.052 -17.506
  754    HE1  HIS  62          1HE       HIS  62   5.148  12.358 -20.059
  755    QB   HIS  62           QB       HIS  62   5.256  11.656 -15.247
  756    H    HIS  63           H        HIS  63   2.464  11.977 -15.001
  757    HA   HIS  63           HA       HIS  63   0.471  12.490 -15.723
  758   1HB   HIS  63          2HB       HIS  63   1.359  11.938 -17.990
  759   2HB   HIS  63          1HB       HIS  63   0.745  10.298 -17.808
  760    HD1  HIS  63          1HD       HIS  63  -1.634   9.939 -18.646
  761    HD2  HIS  63          2HD       HIS  63  -0.779  13.933 -17.874
  762    HE1  HIS  63          1HE       HIS  63  -3.645  11.237 -19.391
  763    QB   HIS  63           QB       HIS  63   1.052  11.118 -17.899
  764    H    HIS  64           H        HIS  64  -0.094  11.784 -13.690
  765    HA   HIS  64           HA       HIS  64  -2.598  10.705 -13.616
  766   1HB   HIS  64          2HB       HIS  64  -1.312   8.512 -13.837
  767   2HB   HIS  64          1HB       HIS  64  -0.553   8.879 -12.295
  768    HD1  HIS  64          1HD       HIS  64  -3.685   7.505 -13.739
  769    HD2  HIS  64          2HD       HIS  64  -2.355   8.910 -10.064
  770    HE1  HIS  64          1HE       HIS  64  -5.369   6.736 -12.039
  771    QB   HIS  64           QB       HIS  64  -0.933   8.696 -13.066

  No H/Q in entry =         771
  Start of MODEL   12
    1    H1   MET   1          1HT       MET   1  11.940  -3.926   0.864
    2    H2   MET   1          3HT       MET   1  11.663  -5.559   1.199
    3    H3   MET   1          2HT       MET   1  12.881  -4.720   1.976
    4    HA   MET   1           HA       MET   1  14.161  -4.453   0.012
    5   1HB   MET   1          2HB       MET   1  14.487  -6.569   1.261
    6   2HB   MET   1          1HB       MET   1  13.205  -7.305   0.317
    7   1HG   MET   1          2HG       MET   1  14.546  -7.017  -1.721
    8   2HG   MET   1          1HG       MET   1  15.846  -6.333  -0.752
    9   1HE   MET   1          3HE       MET   1  16.204  -8.786  -2.766
   10   2HE   MET   1          2HE       MET   1  17.533  -8.125  -1.812
   11   3HE   MET   1          1HE       MET   1  17.229  -9.859  -1.815
   12    QB   MET   1           QB       MET   1  13.846  -6.937   0.789
   13    QG   MET   1           QG       MET   1  15.196  -6.675  -1.237
   14    ME   MET   1           QE       MET   1  16.989  -8.923  -2.131
   15    H    ASN   2           H        ASN   2  10.969  -5.888  -0.617
   16    HA   ASN   2           HA       ASN   2  11.570  -5.725  -3.481
   17   1HB   ASN   2          2HB       ASN   2   9.662  -7.615  -2.091
   18   2HB   ASN   2          1HB       ASN   2   9.995  -7.552  -3.809
   19   1HD2  ASN   2          1HD2      ASN   2  11.115  -8.543  -0.704
   20   2HD2  ASN   2          2HD2      ASN   2  12.443  -9.486  -1.244
   21    QB   ASN   2           QB       ASN   2   9.829  -7.583  -2.950
   22    QD   ASN   2           QD2      ASN   2  11.779  -9.015  -0.974
   23    H    VAL   3           H        VAL   3  10.636  -3.847  -4.086
   24    HA   VAL   3           HA       VAL   3   8.233  -2.903  -2.972
   25    HB   VAL   3           HB       VAL   3   8.112  -1.345  -4.914
   26   1HG1  VAL   3          2HG1      VAL   3  10.829  -1.591  -3.623
   27   2HG1  VAL   3          1HG1      VAL   3  10.204  -0.150  -4.422
   28   3HG1  VAL   3          3HG1      VAL   3   9.426  -0.754  -2.960
   29   1HG2  VAL   3          2HG2      VAL   3   9.014  -2.863  -6.632
   30   2HG2  VAL   3          1HG2      VAL   3   9.908  -1.343  -6.593
   31   3HG2  VAL   3          3HG2      VAL   3  10.594  -2.794  -5.864
   32    MG1  VAL   3           QG1      VAL   3  10.153  -0.832  -3.668
   33    MG2  VAL   3           QG2      VAL   3   9.839  -2.333  -6.363
   34    QG   VAL   3           QQG      VAL   3   9.996  -1.582  -5.016
   35    H    THR   4           H        THR   4   8.894  -5.193  -5.435
   36    HA   THR   4           HA       THR   4   6.367  -5.298  -6.639
   37    HB   THR   4           HB       THR   4   8.282  -6.365  -7.678
   38    HG1  THR   4          1HG       THR   4   6.182  -7.275  -8.063
   39   1HG2  THR   4          1HG2      THR   4   8.246  -8.242  -5.315
   40   2HG2  THR   4          3HG2      THR   4   9.221  -8.484  -6.764
   41   3HG2  THR   4          2HG2      THR   4   9.511  -7.083  -5.730
   42    MG   THR   4           QG2      THR   4   8.993  -7.936  -5.937
   43    H    LYS   5           H        LYS   5   7.578  -6.696  -3.632
   44    HA   LYS   5           HA       LYS   5   5.258  -8.345  -3.253
   45   1HB   LYS   5          2HB       LYS   5   7.550  -7.607  -1.438
   46   2HB   LYS   5          1HB       LYS   5   6.164  -8.495  -0.839
   47   1HG   LYS   5          2HG       LYS   5   8.024  -9.406  -3.036
   48   2HG   LYS   5          1HG       LYS   5   8.013  -9.998  -1.372
   49   1HD   LYS   5          2HD       LYS   5   5.659 -10.737  -1.712
   50   2HD   LYS   5          1HD       LYS   5   5.785 -10.262  -3.397
   51   1HE   LYS   5          2HE       LYS   5   6.128 -12.626  -3.248
   52   2HE   LYS   5          1HE       LYS   5   7.658 -11.858  -3.664
   53   1HZ   LYS   5          1HZ       LYS   5   6.893 -12.732  -0.928
   54   2HZ   LYS   5          3HZ       LYS   5   7.828 -13.622  -1.995
   55   3HZ   LYS   5          2HZ       LYS   5   8.425 -12.168  -1.406
   56    QB   LYS   5           QB       LYS   5   6.857  -8.051  -1.138
   57    QD   LYS   5           QD       LYS   5   5.722 -10.500  -2.555
   58    QG   LYS   5           QG       LYS   5   8.019  -9.702  -2.204
   59    QE   LYS   5           QE       LYS   5   6.893 -12.242  -3.456
   60    QZ   LYS   5           QZ       LYS   5   7.715 -12.841  -1.443
   61    H    LEU   6           H        LEU   6   6.359  -5.225  -2.228
   62    HA   LEU   6           HA       LEU   6   4.225  -4.663  -0.492
   63   1HB   LEU   6          2HB       LEU   6   6.411  -3.425  -0.700
   64   2HB   LEU   6          1HB       LEU   6   5.782  -2.769  -2.203
   65    HG   LEU   6           HG       LEU   6   4.126  -1.479  -1.055
   66   1HD1  LEU   6          1HD1      LEU   6   5.085  -2.850   1.460
   67   2HD1  LEU   6          3HD1      LEU   6   3.944  -1.510   1.399
   68   3HD1  LEU   6          2HD1      LEU   6   3.505  -3.065   0.700
   69   1HD2  LEU   6          1HD2      LEU   6   6.790  -1.332   0.337
   70   2HD2  LEU   6          3HD2      LEU   6   6.357  -0.537  -1.177
   71   3HD2  LEU   6          2HD2      LEU   6   5.563  -0.072   0.331
   72    MD1  LEU   6           QD1      LEU   6   4.178  -2.475   1.186
   73    MD2  LEU   6           QD2      LEU   6   6.236  -0.647  -0.170
   74    QB   LEU   6           QB       LEU   6   6.097  -3.097  -1.452
   75    QD   LEU   6           QQD      LEU   6   5.207  -1.561   0.508
   76    H    ASN   7           H        ASN   7   4.741  -4.166  -3.932
   77    HA   ASN   7           HA       ASN   7   2.357  -2.958  -4.633
   78   1HB   ASN   7          2HB       ASN   7   4.241  -3.190  -6.199
   79   2HB   ASN   7          1HB       ASN   7   4.036  -4.930  -6.195
   80   1HD2  ASN   7          1HD2      ASN   7   2.812  -1.920  -7.386
   81   2HD2  ASN   7          2HD2      ASN   7   1.749  -2.562  -8.554
   82    QB   ASN   7           QB       ASN   7   4.138  -4.060  -6.197
   83    QD   ASN   7           QD2      ASN   7   2.281  -2.241  -7.970
   84    H    ASP   8           H        ASP   8   3.195  -6.345  -4.212
   85    HA   ASP   8           HA       ASP   8   0.779  -7.516  -5.087
   86   1HB   ASP   8          2HB       ASP   8   2.883  -8.773  -4.870
   87   2HB   ASP   8          1HB       ASP   8   2.847  -8.545  -3.128
   88    QB   ASP   8           QB       ASP   8   2.865  -8.659  -3.999
   89    H    ARG   9           H        ARG   9   1.880  -6.361  -1.968
   90    HA   ARG   9           HA       ARG   9  -0.343  -7.211  -0.435
   91   1HB   ARG   9          2HB       ARG   9   1.488  -4.842   0.026
   92   2HB   ARG   9          1HB       ARG   9   0.414  -5.546   1.232
   93   1HG   ARG   9          2HG       ARG   9   1.641  -7.617   1.176
   94   2HG   ARG   9          1HG       ARG   9   2.659  -7.009  -0.122
   95   1HD   ARG   9          2HD       ARG   9   3.439  -5.216   1.451
   96   2HD   ARG   9          1HD       ARG   9   2.541  -6.045   2.729
   97    HE   ARG   9           HE       ARG   9   4.045  -7.976   1.597
   98   1HH1  ARG   9          1HH1      ARG   9   4.776  -4.929   3.264
   99   2HH1  ARG   9          2HH1      ARG   9   6.365  -5.372   3.687
  100   1HH2  ARG   9          1HH2      ARG   9   6.235  -8.601   2.217
  101   2HH2  ARG   9          2HH2      ARG   9   7.209  -7.513   3.092
  102    QB   ARG   9           QB       ARG   9   0.951  -5.194   0.629
  103    QG   ARG   9           QG       ARG   9   2.150  -7.313   0.527
  104    QD   ARG   9           QD       ARG   9   2.990  -5.631   2.090
  105    QH1  ARG   9           QH1      ARG   9   5.570  -5.150   3.476
  106    QH2  ARG   9           QH2      ARG   9   6.722  -8.057   2.654
  107    H    ILE  10           H        ILE  10   0.272  -4.398  -2.407
  108    HA   ILE  10           HA       ILE  10  -2.044  -2.938  -1.768
  109    HB   ILE  10           HB       ILE  10  -0.439  -2.991  -4.345
  110   1HG1  ILE  10          2HG1      ILE  10  -0.425  -1.024  -2.050
  111   2HG1  ILE  10          1HG1      ILE  10   0.795  -2.258  -2.341
  112   1HG2  ILE  10          1HG2      ILE  10  -2.550  -0.991  -3.490
  113   2HG2  ILE  10          3HG2      ILE  10  -1.505  -0.825  -4.898
  114   3HG2  ILE  10          2HG2      ILE  10  -2.687  -2.124  -4.834
  115   1HD1  ILE  10          2HD1      ILE  10   0.160   0.052  -4.166
  116   2HD1  ILE  10          1HD1      ILE  10   1.529  -0.064  -3.053
  117   3HD1  ILE  10          3HD1      ILE  10   1.412  -1.166  -4.420
  118    MG   ILE  10           QG2      ILE  10  -2.247  -1.313  -4.407
  119    MD   ILE  10           QD1      ILE  10   1.034  -0.393  -3.879
  120    QG   ILE  10           QG1      ILE  10   0.185  -1.641  -2.196
  121    H    GLU  11           H        GLU  11  -1.404  -5.513  -4.095
  122    HA   GLU  11           HA       GLU  11  -3.796  -5.472  -5.536
  123   1HB   GLU  11          2HB       GLU  11  -1.902  -6.936  -6.152
  124   2HB   GLU  11          1HB       GLU  11  -2.193  -7.907  -4.723
  125   1HG   GLU  11          2HG       GLU  11  -4.415  -8.504  -5.585
  126   2HG   GLU  11          1HG       GLU  11  -4.077  -7.575  -7.041
  127    QB   GLU  11           QB       GLU  11  -2.048  -7.422  -5.437
  128    QG   GLU  11           QG       GLU  11  -4.246  -8.040  -6.313
  129    H    ALA  12           H        ALA  12  -3.031  -7.219  -2.575
  130    HA   ALA  12           HA       ALA  12  -5.590  -8.375  -2.227
  131   1HB   ALA  12          3HB       ALA  12  -3.597  -9.261  -1.159
  132   2HB   ALA  12          1HB       ALA  12  -4.832  -8.886   0.045
  133   3HB   ALA  12          2HB       ALA  12  -3.454  -7.801  -0.185
  134    MB   ALA  12           QB       ALA  12  -3.961  -8.649  -0.433
  135    H    LYS  13           H        LYS  13  -4.273  -5.286  -1.450
  136    HA   LYS  13           HA       LYS  13  -6.296  -4.517   0.411
  137   1HB   LYS  13          2HB       LYS  13  -3.991  -3.543   0.365
  138   2HB   LYS  13          1HB       LYS  13  -4.375  -2.792  -1.173
  139   1HG   LYS  13          2HG       LYS  13  -4.539  -1.200   0.654
  140   2HG   LYS  13          1HG       LYS  13  -6.116  -1.463  -0.099
  141   1HD   LYS  13          2HD       LYS  13  -6.733  -2.999   1.677
  142   2HD   LYS  13          1HD       LYS  13  -5.138  -2.816   2.408
  143   1HE   LYS  13          2HE       LYS  13  -5.604  -0.461   2.801
  144   2HE   LYS  13          1HE       LYS  13  -7.186  -0.646   2.041
  145   1HZ   LYS  13          2HZ       LYS  13  -6.266  -2.138   4.402
  146   2HZ   LYS  13          1HZ       LYS  13  -7.248  -0.798   4.515
  147   3HZ   LYS  13          3HZ       LYS  13  -7.805  -2.216   3.750
  148    QB   LYS  13           QB       LYS  13  -4.183  -3.168  -0.404
  149    QD   LYS  13           QD       LYS  13  -5.936  -2.907   2.043
  150    QG   LYS  13           QG       LYS  13  -5.327  -1.332   0.278
  151    QE   LYS  13           QE       LYS  13  -6.395  -0.554   2.421
  152    QZ   LYS  13           QZ       LYS  13  -7.106  -1.717   4.222
  153    H    LYS  14           H        LYS  14  -5.671  -4.087  -3.010
  154    HA   LYS  14           HA       LYS  14  -7.787  -2.359  -3.675
  155   1HB   LYS  14          2HB       LYS  14  -6.505  -4.523  -5.360
  156   2HB   LYS  14          1HB       LYS  14  -7.508  -3.219  -5.974
  157   1HG   LYS  14          2HG       LYS  14  -5.861  -1.587  -5.410
  158   2HG   LYS  14          1HG       LYS  14  -4.917  -2.773  -4.505
  159   1HD   LYS  14          2HD       LYS  14  -3.818  -2.475  -6.606
  160   2HD   LYS  14          1HD       LYS  14  -4.636  -4.029  -6.671
  161   1HE   LYS  14          2HE       LYS  14  -6.531  -2.858  -7.847
  162   2HE   LYS  14          1HE       LYS  14  -5.463  -1.445  -7.888
  163   1HZ   LYS  14          3HZ       LYS  14  -3.852  -2.740  -9.150
  164   2HZ   LYS  14          2HZ       LYS  14  -4.864  -4.079  -9.092
  165   3HZ   LYS  14          1HZ       LYS  14  -5.340  -2.720  -9.956
  166    QB   LYS  14           QB       LYS  14  -7.006  -3.871  -5.667
  167    QD   LYS  14           QD       LYS  14  -4.227  -3.252  -6.639
  168    QG   LYS  14           QG       LYS  14  -5.389  -2.180  -4.958
  169    QE   LYS  14           QE       LYS  14  -5.997  -2.151  -7.867
  170    QZ   LYS  14           QZ       LYS  14  -4.685  -3.180  -9.399
  171    H    LYS  15           H        LYS  15  -7.523  -5.880  -3.698
  172    HA   LYS  15           HA       LYS  15 -10.104  -6.520  -4.606
  173   1HB   LYS  15          2HB       LYS  15  -8.435  -8.085  -2.629
  174   2HB   LYS  15          1HB       LYS  15  -9.755  -8.713  -3.603
  175   1HG   LYS  15          2HG       LYS  15  -8.453  -8.320  -5.635
  176   2HG   LYS  15          1HG       LYS  15  -7.146  -7.640  -4.671
  177   1HD   LYS  15          2HD       LYS  15  -6.554  -9.893  -5.182
  178   2HD   LYS  15          1HD       LYS  15  -6.990  -9.837  -3.475
  179   1HE   LYS  15          2HE       LYS  15  -7.975 -11.802  -4.452
  180   2HE   LYS  15          1HE       LYS  15  -9.259 -10.653  -4.092
  181   1HZ   LYS  15          3HZ       LYS  15  -9.156  -9.972  -6.481
  182   2HZ   LYS  15          2HZ       LYS  15  -8.051 -11.230  -6.723
  183   3HZ   LYS  15          1HZ       LYS  15  -9.610 -11.585  -6.248
  184    QB   LYS  15           QB       LYS  15  -9.095  -8.399  -3.116
  185    QD   LYS  15           QD       LYS  15  -6.772  -9.865  -4.329
  186    QG   LYS  15           QG       LYS  15  -7.800  -7.980  -5.153
  187    QE   LYS  15           QE       LYS  15  -8.617 -11.228  -4.272
  188    QZ   LYS  15           QZ       LYS  15  -8.939 -10.929  -6.484
  189    H    GLU  16           H        GLU  16  -8.844  -6.032  -1.376
  190    HA   GLU  16           HA       GLU  16 -11.061  -6.629   0.212
  191   1HB   GLU  16          2HB       GLU  16  -8.768  -6.289   1.033
  192   2HB   GLU  16          1HB       GLU  16  -8.864  -4.593   0.610
  193   1HG   GLU  16          2HG       GLU  16 -10.734  -4.386   2.265
  194   2HG   GLU  16          1HG       GLU  16 -10.371  -6.039   2.767
  195    QB   GLU  16           QB       GLU  16  -8.816  -5.441   0.822
  196    QG   GLU  16           QG       GLU  16 -10.553  -5.212   2.516
  197    H    LEU  17           H        LEU  17  -9.949  -3.566  -1.152
  198    HA   LEU  17           HA       LEU  17 -12.006  -1.968  -0.086
  199   1HB   LEU  17          2HB       LEU  17  -9.768  -1.160  -0.817
  200   2HB   LEU  17          1HB       LEU  17 -10.244  -1.430  -2.477
  201    HG   LEU  17           HG       LEU  17 -12.006   0.292  -2.233
  202   1HD1  LEU  17          2HD1      LEU  17 -10.815   0.605   0.510
  203   2HD1  LEU  17          1HD1      LEU  17 -11.925   1.753  -0.245
  204   3HD1  LEU  17          3HD1      LEU  17 -12.464   0.114   0.122
  205   1HD2  LEU  17          2HD2      LEU  17  -9.778   0.902  -3.069
  206   2HD2  LEU  17          1HD2      LEU  17 -10.516   2.214  -2.141
  207   3HD2  LEU  17          3HD2      LEU  17  -9.267   1.214  -1.406
  208    MD1  LEU  17           QD1      LEU  17 -11.734   0.824   0.129
  209    MD2  LEU  17           QD2      LEU  17  -9.854   1.443  -2.205
  210    QB   LEU  17           QB       LEU  17 -10.006  -1.295  -1.647
  211    QD   LEU  17           QQD      LEU  17 -10.794   1.134  -1.038
  212    H    ILE  18           H        ILE  18 -11.488  -3.344  -3.331
  213    HA   ILE  18           HA       ILE  18 -13.742  -2.337  -4.602
  214    HB   ILE  18           HB       ILE  18 -12.281  -4.958  -5.055
  215   1HG1  ILE  18          2HG1      ILE  18 -12.244  -2.352  -6.601
  216   2HG1  ILE  18          1HG1      ILE  18 -11.007  -2.888  -5.472
  217   1HG2  ILE  18          2HG2      ILE  18 -14.557  -5.225  -5.910
  218   2HG2  ILE  18          1HG2      ILE  18 -14.399  -3.740  -6.841
  219   3HG2  ILE  18          3HG2      ILE  18 -13.395  -5.135  -7.233
  220   1HD1  ILE  18          3HD1      ILE  18 -11.745  -4.242  -8.060
  221   2HD1  ILE  18          2HD1      ILE  18 -10.320  -3.239  -7.777
  222   3HD1  ILE  18          1HD1      ILE  18 -10.496  -4.779  -6.936
  223    MG   ILE  18           QG2      ILE  18 -14.117  -4.700  -6.661
  224    MD   ILE  18           QD1      ILE  18 -10.854  -4.087  -7.591
  225    QG   ILE  18           QG1      ILE  18 -11.625  -2.620  -6.037
  226    H    TYR  19           H        TYR  19 -13.402  -5.298  -2.728
  227    HA   TYR  19           HA       TYR  19 -15.927  -6.404  -3.015
  228   1HB   TYR  19          2HB       TYR  19 -14.100  -7.588  -1.946
  229   2HB   TYR  19          1HB       TYR  19 -14.043  -6.409  -0.651
  230    HD1  TYR  19          1HD       TYR  19 -16.069  -9.155  -2.103
  231    HD2  TYR  19          2HD       TYR  19 -15.408  -6.642   1.261
  232    HE1  TYR  19          1HE       TYR  19 -17.554 -10.577  -0.743
  233    HE2  TYR  19          2HE       TYR  19 -16.888  -8.050   2.616
  234    HH   TYR  19           HH       TYR  19 -17.925 -11.106   1.582
  235    QB   TYR  19           QB       TYR  19 -14.071  -6.998  -1.298
  236    QD   TYR  19           QD       TYR  19 -15.738  -7.898  -0.421
  237    QE   TYR  19           QE       TYR  19 -17.221  -9.314   0.936
  238    QR   TYR  19           QR       TYR  19 -16.480  -8.606   0.257
  239    H    LEU  20           H        LEU  20 -14.828  -3.976  -0.682
  240    HA   LEU  20           HA       LEU  20 -17.331  -3.809   0.677
  241   1HB   LEU  20          2HB       LEU  20 -15.006  -1.893   0.660
  242   2HB   LEU  20          1HB       LEU  20 -16.360  -1.827   1.768
  243    HG   LEU  20           HG       LEU  20 -14.350  -4.070   1.607
  244   1HD1  LEU  20          3HD1      LEU  20 -14.714  -1.878   3.630
  245   2HD1  LEU  20          2HD1      LEU  20 -13.587  -3.228   3.762
  246   3HD1  LEU  20          1HD1      LEU  20 -13.383  -2.030   2.482
  247   1HD2  LEU  20          3HD2      LEU  20 -16.613  -3.578   3.546
  248   2HD2  LEU  20          2HD2      LEU  20 -16.533  -4.870   2.343
  249   3HD2  LEU  20          1HD2      LEU  20 -15.396  -4.845   3.684
  250    MD1  LEU  20           QD1      LEU  20 -13.895  -2.379   3.292
  251    MD2  LEU  20           QD2      LEU  20 -16.181  -4.431   3.191
  252    QB   LEU  20           QB       LEU  20 -15.683  -1.860   1.214
  253    QD   LEU  20           QQD      LEU  20 -15.038  -3.405   3.241
  254    H    VAL  21           H        VAL  21 -15.787  -1.948  -1.866
  255    HA   VAL  21           HA       VAL  21 -17.719   0.107  -1.970
  256    HB   VAL  21           HB       VAL  21 -15.892  -0.856  -4.200
  257   1HG1  VAL  21          2HG1      VAL  21 -17.415   1.742  -3.925
  258   2HG1  VAL  21          1HG1      VAL  21 -16.232   1.382  -5.183
  259   3HG1  VAL  21          3HG1      VAL  21 -17.738   0.467  -5.097
  260   1HG2  VAL  21          1HG2      VAL  21 -14.657  -0.132  -2.233
  261   2HG2  VAL  21          3HG2      VAL  21 -14.458   1.020  -3.551
  262   3HG2  VAL  21          2HG2      VAL  21 -15.548   1.388  -2.215
  263    MG1  VAL  21           QG1      VAL  21 -17.128   1.197  -4.735
  264    MG2  VAL  21           QG2      VAL  21 -14.888   0.759  -2.666
  265    QG   VAL  21           QQG      VAL  21 -16.008   0.978  -3.701
  266    H    GLU  22           H        GLU  22 -17.495  -2.973  -3.652
  267    HA   GLU  22           HA       GLU  22 -19.713  -2.616  -5.349
  268   1HB   GLU  22          2HB       GLU  22 -18.597  -5.163  -4.164
  269   2HB   GLU  22          1HB       GLU  22 -19.785  -5.094  -5.454
  270   1HG   GLU  22          2HG       GLU  22 -16.982  -4.012  -5.594
  271   2HG   GLU  22          1HG       GLU  22 -17.527  -5.541  -6.273
  272    QB   GLU  22           QB       GLU  22 -19.191  -5.128  -4.809
  273    QG   GLU  22           QG       GLU  22 -17.254  -4.776  -5.933
  274    H    LYS  23           H        LYS  23 -19.455  -3.921  -2.075
  275    HA   LYS  23           HA       LYS  23 -22.254  -4.567  -2.054
  276   1HB   LYS  23          2HB       LYS  23 -20.200  -4.853   0.125
  277   2HB   LYS  23          1HB       LYS  23 -21.862  -5.417   0.238
  278   1HG   LYS  23          2HG       LYS  23 -21.485  -6.890  -1.686
  279   2HG   LYS  23          1HG       LYS  23 -19.826  -6.328  -1.785
  280   1HD   LYS  23          2HD       LYS  23 -19.675  -8.379  -0.674
  281   2HD   LYS  23          1HD       LYS  23 -19.575  -7.179   0.605
  282   1HE   LYS  23          2HE       LYS  23 -22.109  -8.653  -0.147
  283   2HE   LYS  23          1HE       LYS  23 -21.005  -9.186   1.107
  284   1HZ   LYS  23          3HZ       LYS  23 -21.482  -7.119   2.312
  285   2HZ   LYS  23          2HZ       LYS  23 -22.624  -6.662   1.151
  286   3HZ   LYS  23          1HZ       LYS  23 -22.846  -8.026   2.059
  287    QB   LYS  23           QB       LYS  23 -21.031  -5.135   0.181
  288    QD   LYS  23           QD       LYS  23 -19.625  -7.779  -0.034
  289    QG   LYS  23           QG       LYS  23 -20.655  -6.609  -1.736
  290    QE   LYS  23           QE       LYS  23 -21.557  -8.919   0.480
  291    QZ   LYS  23           QZ       LYS  23 -22.317  -7.269   1.841
  292    H    TYR  24           H        TYR  24 -20.283  -2.172  -0.308
  293    HA   TYR  24           HA       TYR  24 -22.787  -1.126   0.843
  294   1HB   TYR  24          2HB       TYR  24 -19.942  -0.502   1.547
  295   2HB   TYR  24          1HB       TYR  24 -21.360   0.107   2.388
  296    HD1  TYR  24          1HD       TYR  24 -18.856  -2.364   2.295
  297    HD2  TYR  24          2HD       TYR  24 -22.898  -1.734   3.440
  298    HE1  TYR  24          1HE       TYR  24 -18.715  -4.279   3.810
  299    HE2  TYR  24          2HE       TYR  24 -22.770  -3.658   4.965
  300    HH   TYR  24           HH       TYR  24 -19.863  -5.065   5.862
  301    QB   TYR  24           QB       TYR  24 -20.651  -0.197   1.968
  302    QD   TYR  24           QD       TYR  24 -20.877  -2.049   2.868
  303    QE   TYR  24           QE       TYR  24 -20.742  -3.969   4.387
  304    QR   TYR  24           QR       TYR  24 -20.810  -3.009   3.628
  305    H    GLY  25           H        GLY  25 -19.938  -0.232  -0.976
  306   1HA   GLY  25          1HA       GLY  25 -21.148   2.406  -1.457
  307   2HA   GLY  25          2HA       GLY  25 -20.301   1.484  -2.706
  308    QA   GLY  25           QA       GLY  25 -20.724   1.945  -2.081
  309    H    PHE  26           H        PHE  26 -19.585   4.102  -1.774
  310    HA   PHE  26           HA       PHE  26 -17.107   3.495  -0.335
  311   1HB   PHE  26          2HB       PHE  26 -15.787   4.835  -1.937
  312   2HB   PHE  26          1HB       PHE  26 -16.516   3.434  -2.703
  313    HD1  PHE  26          1HD       PHE  26 -18.498   3.760  -4.195
  314    HD2  PHE  26          2HD       PHE  26 -16.261   7.035  -2.658
  315    HE1  PHE  26          1HE       PHE  26 -19.465   5.221  -5.914
  316    HE2  PHE  26          2HE       PHE  26 -17.229   8.504  -4.370
  317    HZ   PHE  26           HZ       PHE  26 -18.835   7.599  -6.000
  318    QB   PHE  26           QB       PHE  26 -16.151   4.135  -2.320
  319    QD   PHE  26           QD       PHE  26 -17.380   5.397  -3.426
  320    QE   PHE  26           QE       PHE  26 -18.347   6.863  -5.142
  321    QR   PHE  26           QR       PHE  26 -18.058   6.424  -4.627
  322    H    THR  27           H        THR  27 -19.710   4.989   0.150
  323    HA   THR  27           HA       THR  27 -18.797   7.708   0.338
  324    HB   THR  27           HB       THR  27 -21.433   6.598   1.253
  325    HG1  THR  27          1HG       THR  27 -22.005   7.187  -1.012
  326   1HG2  THR  27          3HG2      THR  27 -20.582   9.278   0.112
  327   2HG2  THR  27          2HG2      THR  27 -22.218   8.852   0.603
  328   3HG2  THR  27          1HG2      THR  27 -20.934   8.958   1.809
  329    MG   THR  27           QG2      THR  27 -21.245   9.030   0.841
  330    H    HIS  28           H        HIS  28 -19.115   4.961   2.453
  331    HA   HIS  28           HA       HIS  28 -19.224   6.657   4.776
  332   1HB   HIS  28          2HB       HIS  28 -19.416   4.630   6.124
  333   2HB   HIS  28          1HB       HIS  28 -20.540   4.573   4.784
  334    HD1  HIS  28          1HD       HIS  28 -20.193   2.636   3.043
  335    HD2  HIS  28          2HD       HIS  28 -17.395   2.779   6.110
  336    HE1  HIS  28          1HE       HIS  28 -18.954   0.441   2.990
  337    QB   HIS  28           QB       HIS  28 -19.978   4.602   5.454
  338    H    HIS  29           H        HIS  29 -17.739   6.257   6.630
  339    HA   HIS  29           HA       HIS  29 -15.264   7.283   5.824
  340   1HB   HIS  29          2HB       HIS  29 -16.215   6.400   8.531
  341   2HB   HIS  29          1HB       HIS  29 -14.639   7.125   8.252
  342    HD1  HIS  29          1HD       HIS  29 -14.551   9.648   8.016
  343    HD2  HIS  29          2HD       HIS  29 -18.417   8.148   8.038
  344    HE1  HIS  29          1HE       HIS  29 -16.070  11.642   8.206
  345    QB   HIS  29           QB       HIS  29 -15.427   6.763   8.392
  346    H    LYS  30           H        LYS  30 -16.080   4.010   6.697
  347    HA   LYS  30           HA       LYS  30 -13.422   3.190   7.154
  348   1HB   LYS  30          2HB       LYS  30 -15.763   1.513   6.234
  349   2HB   LYS  30          1HB       LYS  30 -14.197   0.862   6.680
  350   1HG   LYS  30          2HG       LYS  30 -14.458   1.809   8.933
  351   2HG   LYS  30          1HG       LYS  30 -16.066   2.380   8.478
  352   1HD   LYS  30          2HD       LYS  30 -16.800   0.104   8.091
  353   2HD   LYS  30          1HD       LYS  30 -15.180  -0.506   8.423
  354   1HE   LYS  30          2HE       LYS  30 -16.976   0.931  10.380
  355   2HE   LYS  30          1HE       LYS  30 -16.654  -0.800  10.352
  356   1HZ   LYS  30          3HZ       LYS  30 -14.269  -0.259  10.765
  357   2HZ   LYS  30          2HZ       LYS  30 -14.697   1.360  10.925
  358   3HZ   LYS  30          1HZ       LYS  30 -15.291   0.241  12.007
  359    QB   LYS  30           QB       LYS  30 -14.980   1.187   6.457
  360    QD   LYS  30           QD       LYS  30 -15.990  -0.201   8.257
  361    QG   LYS  30           QG       LYS  30 -15.262   2.094   8.706
  362    QE   LYS  30           QE       LYS  30 -16.815   0.065  10.366
  363    QZ   LYS  30           QZ       LYS  30 -14.752   0.447  11.232
  364    H    VAL  31           H        VAL  31 -15.343   3.099   4.183
  365    HA   VAL  31           HA       VAL  31 -13.327   1.985   2.571
  366    HB   VAL  31           HB       VAL  31 -15.606   3.827   1.742
  367   1HG1  VAL  31          3HG1      VAL  31 -13.773   3.756   0.069
  368   2HG1  VAL  31          2HG1      VAL  31 -13.910   1.998   0.047
  369   3HG1  VAL  31          1HG1      VAL  31 -15.240   2.980  -0.533
  370   1HG2  VAL  31          1HG2      VAL  31 -15.342   0.824   1.684
  371   2HG2  VAL  31          3HG2      VAL  31 -16.353   1.757   2.785
  372   3HG2  VAL  31          2HG2      VAL  31 -16.706   1.748   1.058
  373    MG1  VAL  31           QG1      VAL  31 -14.307   2.911  -0.139
  374    MG2  VAL  31           QG2      VAL  31 -16.134   1.443   1.842
  375    QG   VAL  31           QQG      VAL  31 -15.221   2.177   0.852
  376    H    ILE  32           H        ILE  32 -14.131   5.325   3.340
  377    HA   ILE  32           HA       ILE  32 -12.264   6.622   1.714
  378    HB   ILE  32           HB       ILE  32 -13.225   7.460   4.478
  379   1HG1  ILE  32          2HG1      ILE  32 -14.279   8.203   1.734
  380   2HG1  ILE  32          1HG1      ILE  32 -15.059   7.092   2.852
  381   1HG2  ILE  32          1HG2      ILE  32 -11.958   9.115   2.287
  382   2HG2  ILE  32          3HG2      ILE  32 -12.629   9.749   3.790
  383   3HG2  ILE  32          2HG2      ILE  32 -11.216   8.693   3.830
  384   1HD1  ILE  32          2HD1      ILE  32 -15.380   8.939   4.434
  385   2HD1  ILE  32          1HD1      ILE  32 -14.599  10.035   3.298
  386   3HD1  ILE  32          3HD1      ILE  32 -16.129   9.272   2.871
  387    MG   ILE  32           QG2      ILE  32 -11.934   9.186   3.302
  388    MD   ILE  32           QD1      ILE  32 -15.369   9.415   3.534
  389    QG   ILE  32           QG1      ILE  32 -14.669   7.647   2.293
  390    H    SER  33           H        SER  33 -11.951   5.459   5.043
  391    HA   SER  33           HA       SER  33  -9.294   6.207   5.457
  392   1HB   SER  33          2HB       SER  33 -10.819   3.909   6.681
  393   2HB   SER  33          1HB       SER  33  -9.348   4.642   7.328
  394    HG   SER  33           HG       SER  33 -11.950   5.714   7.129
  395    QB   SER  33           QB       SER  33 -10.083   4.275   7.004
  396    H    PHE  34           H        PHE  34 -10.671   3.190   4.158
  397    HA   PHE  34           HA       PHE  34  -8.166   1.890   3.970
  398   1HB   PHE  34          2HB       PHE  34 -10.731   1.306   2.497
  399   2HB   PHE  34          1HB       PHE  34  -9.303   0.278   2.440
  400    HD1  PHE  34          1HD       PHE  34  -8.473   0.267   5.270
  401    HD2  PHE  34          2HD       PHE  34 -12.335   0.064   3.526
  402    HE1  PHE  34          1HE       PHE  34  -9.286  -0.953   7.239
  403    HE2  PHE  34          2HE       PHE  34 -13.169  -1.149   5.500
  404    HZ   PHE  34           HZ       PHE  34 -11.643  -1.660   7.360
  405    QB   PHE  34           QB       PHE  34 -10.017   0.792   2.468
  406    QD   PHE  34           QD       PHE  34 -10.404   0.166   4.398
  407    QE   PHE  34           QE       PHE  34 -11.227  -1.051   6.370
  408    QR   PHE  34           QR       PHE  34 -10.981  -0.686   5.779
  409    H    SER  35           H        SER  35  -9.904   3.983   1.764
  410    HA   SER  35           HA       SER  35  -8.228   3.473  -0.459
  411   1HB   SER  35          2HB       SER  35 -10.506   4.498  -0.631
  412   2HB   SER  35          1HB       SER  35  -9.879   5.956   0.131
  413    HG   SER  35           HG       SER  35  -8.796   4.863  -2.253
  414    QB   SER  35           QB       SER  35 -10.192   5.227  -0.250
  415    H    GLN  36           H        GLN  36  -8.118   5.761   2.216
  416    HA   GLN  36           HA       GLN  36  -5.837   7.241   1.382
  417   1HB   GLN  36          2HB       GLN  36  -6.841   6.645   4.165
  418   2HB   GLN  36          1HB       GLN  36  -5.645   7.863   3.754
  419   1HG   GLN  36          2HG       GLN  36  -7.266   9.161   2.598
  420   2HG   GLN  36          1HG       GLN  36  -8.466   7.874   2.730
  421   1HE2  GLN  36          1HE2      GLN  36  -8.589  10.606   3.675
  422   2HE2  GLN  36          2HE2      GLN  36  -8.872  10.513   5.376
  423    QB   GLN  36           QB       GLN  36  -6.243   7.254   3.959
  424    QG   GLN  36           QG       GLN  36  -7.866   8.517   2.664
  425    QE   GLN  36           QE2      GLN  36  -8.730  10.560   4.526
  426    H    GLU  37           H        GLU  37  -6.327   4.299   3.183
  427    HA   GLU  37           HA       GLU  37  -3.639   3.952   3.982
  428   1HB   GLU  37          2HB       GLU  37  -5.535   2.944   5.165
  429   2HB   GLU  37          1HB       GLU  37  -5.892   1.955   3.763
  430   1HG   GLU  37          2HG       GLU  37  -3.981   0.632   4.082
  431   2HG   GLU  37          1HG       GLU  37  -3.272   1.795   5.205
  432    QB   GLU  37           QB       GLU  37  -5.713   2.449   4.464
  433    QG   GLU  37           QG       GLU  37  -3.626   1.213   4.643
  434    H    LEU  38           H        LEU  38  -5.550   2.706   1.278
  435    HA   LEU  38           HA       LEU  38  -3.549   1.097   0.124
  436   1HB   LEU  38          2HB       LEU  38  -6.035   1.167  -0.441
  437   2HB   LEU  38          1HB       LEU  38  -5.737   2.645  -1.313
  438    HG   LEU  38           HG       LEU  38  -4.480  -0.008  -2.083
  439   1HD1  LEU  38          1HD1      LEU  38  -6.987   1.287  -3.134
  440   2HD1  LEU  38          3HD1      LEU  38  -6.209  -0.147  -3.803
  441   3HD1  LEU  38          2HD1      LEU  38  -6.899  -0.195  -2.181
  442   1HD2  LEU  38          2HD2      LEU  38  -3.353   1.998  -2.990
  443   2HD2  LEU  38          1HD2      LEU  38  -4.151   1.067  -4.260
  444   3HD2  LEU  38          3HD2      LEU  38  -4.891   2.548  -3.653
  445    MD1  LEU  38           QD1      LEU  38  -6.699   0.315  -3.039
  446    MD2  LEU  38           QD2      LEU  38  -4.131   1.871  -3.635
  447    QB   LEU  38           QB       LEU  38  -5.886   1.906  -0.877
  448    QD   LEU  38           QQD      LEU  38  -5.415   1.093  -3.337
  449    H    ASP  39           H        ASP  39  -4.428   4.471  -0.278
  450    HA   ASP  39           HA       ASP  39  -2.569   5.352  -2.147
  451   1HB   ASP  39          2HB       ASP  39  -4.342   6.781  -1.435
  452   2HB   ASP  39          1HB       ASP  39  -3.802   6.720   0.235
  453    QB   ASP  39           QB       ASP  39  -4.072   6.751  -0.600
  454    H    ARG  40           H        ARG  40  -2.243   4.966   1.316
  455    HA   ARG  40           HA       ARG  40   0.308   6.129   1.557
  456   1HB   ARG  40          2HB       ARG  40  -1.206   5.897   3.459
  457   2HB   ARG  40          1HB       ARG  40  -1.126   4.156   3.337
  458   1HG   ARG  40          2HG       ARG  40   1.098   4.105   4.138
  459   2HG   ARG  40          1HG       ARG  40   1.281   5.850   3.943
  460   1HD   ARG  40          2HD       ARG  40   0.911   5.198   6.299
  461   2HD   ARG  40          1HD       ARG  40  -0.338   6.271   5.681
  462    HE   ARG  40           HE       ARG  40  -0.660   3.354   5.989
  463   1HH1  ARG  40          1HH1      ARG  40  -2.070   6.631   6.129
  464   2HH1  ARG  40          2HH1      ARG  40  -3.554   6.104   6.770
  465   1HH2  ARG  40          1HH2      ARG  40  -2.727   2.672   6.889
  466   2HH2  ARG  40          2HH2      ARG  40  -3.921   3.834   7.233
  467    QB   ARG  40           QB       ARG  40  -1.166   5.026   3.398
  468    QG   ARG  40           QG       ARG  40   1.190   4.978   4.041
  469    QD   ARG  40           QD       ARG  40   0.286   5.734   5.990
  470    QH1  ARG  40           QH1      ARG  40  -2.812   6.367   6.450
  471    QH2  ARG  40           QH2      ARG  40  -3.324   3.253   7.061
  472    H    LEU  41           H        LEU  41  -0.704   2.758   1.126
  473    HA   LEU  41           HA       LEU  41   1.919   1.679   1.131
  474   1HB   LEU  41          2HB       LEU  41  -0.708   0.671   0.083
  475   2HB   LEU  41          1HB       LEU  41   0.766  -0.167  -0.333
  476    HG   LEU  41           HG       LEU  41   1.176  -0.615   2.063
  477   1HD1  LEU  41          1HD1      LEU  41  -1.518   0.644   2.506
  478   2HD1  LEU  41          3HD1      LEU  41  -0.593  -0.266   3.699
  479   3HD1  LEU  41          2HD1      LEU  41   0.033   1.261   3.075
  480   1HD2  LEU  41          2HD2      LEU  41  -1.509  -1.497   1.030
  481   2HD2  LEU  41          1HD2      LEU  41   0.044  -2.264   0.704
  482   3HD2  LEU  41          3HD2      LEU  41  -0.617  -2.269   2.339
  483    MD1  LEU  41           QD1      LEU  41  -0.693   0.546   3.093
  484    MD2  LEU  41           QD2      LEU  41  -0.694  -2.010   1.357
  485    QB   LEU  41           QB       LEU  41   0.029   0.252  -0.125
  486    QD   LEU  41           QQD      LEU  41  -0.693  -0.732   2.225
  487    H    LEU  42           H        LEU  42  -0.166   2.883  -1.414
  488    HA   LEU  42           HA       LEU  42   1.480   2.243  -3.610
  489   1HB   LEU  42          2HB       LEU  42  -0.967   2.884  -3.647
  490   2HB   LEU  42          1HB       LEU  42  -0.493   4.532  -3.341
  491    HG   LEU  42           HG       LEU  42   0.317   3.031  -5.853
  492   1HD1  LEU  42          2HD1      LEU  42  -2.066   4.823  -5.387
  493   2HD1  LEU  42          1HD1      LEU  42  -1.540   4.195  -6.950
  494   3HD1  LEU  42          3HD1      LEU  42  -2.110   3.088  -5.701
  495   1HD2  LEU  42          3HD2      LEU  42   1.630   5.058  -5.344
  496   2HD2  LEU  42          2HD2      LEU  42   0.628   5.277  -6.778
  497   3HD2  LEU  42          1HD2      LEU  42   0.138   5.991  -5.240
  498    MD1  LEU  42           QD1      LEU  42  -1.905   4.035  -6.013
  499    MD2  LEU  42           QD2      LEU  42   0.799   5.442  -5.787
  500    QB   LEU  42           QB       LEU  42  -0.730   3.708  -3.494
  501    QD   LEU  42           QQD      LEU  42  -0.553   4.738  -5.900
  502    H    ASN  43           H        ASN  43   1.370   4.964  -1.427
  503    HA   ASN  43           HA       ASN  43   3.143   6.670  -2.779
  504   1HB   ASN  43          2HB       ASN  43   1.564   7.309  -0.929
  505   2HB   ASN  43          1HB       ASN  43   2.667   6.535   0.200
  506   1HD2  ASN  43          1HD2      ASN  43   2.163   9.180  -1.932
  507   2HD2  ASN  43          2HD2      ASN  43   3.446  10.181  -1.361
  508    QB   ASN  43           QB       ASN  43   2.116   6.922  -0.364
  509    QD   ASN  43           QD2      ASN  43   2.805   9.680  -1.646
  510    H    LEU  44           H        LEU  44   3.664   3.951  -0.721
  511    HA   LEU  44           HA       LEU  44   6.397   4.419  -0.142
  512   1HB   LEU  44          2HB       LEU  44   4.884   1.819  -0.292
  513   2HB   LEU  44          1HB       LEU  44   6.453   2.025   0.462
  514    HG   LEU  44           HG       LEU  44   3.854   3.254   1.406
  515   1HD1  LEU  44          3HD1      LEU  44   5.510   1.029   2.574
  516   2HD1  LEU  44          2HD1      LEU  44   4.091   1.757   3.322
  517   3HD1  LEU  44          1HD1      LEU  44   3.930   0.866   1.809
  518   1HD2  LEU  44          2HD2      LEU  44   6.618   3.361   2.609
  519   2HD2  LEU  44          1HD2      LEU  44   5.724   4.712   1.910
  520   3HD2  LEU  44          3HD2      LEU  44   5.144   3.941   3.386
  521    MD1  LEU  44           QD1      LEU  44   4.510   1.217   2.568
  522    MD2  LEU  44           QD2      LEU  44   5.829   4.005   2.635
  523    QB   LEU  44           QB       LEU  44   5.668   1.922   0.085
  524    QD   LEU  44           QQD      LEU  44   5.170   2.611   2.602
  525    H    LEU  45           H        LEU  45   4.698   2.963  -2.820
  526    HA   LEU  45           HA       LEU  45   7.055   2.039  -4.154
  527   1HB   LEU  45          2HB       LEU  45   4.216   2.409  -5.076
  528   2HB   LEU  45          1HB       LEU  45   5.484   2.021  -6.212
  529    HG   LEU  45           HG       LEU  45   5.906  -0.095  -4.986
  530   1HD1  LEU  45          3HD1      LEU  45   3.485   0.683  -3.393
  531   2HD1  LEU  45          2HD1      LEU  45   4.256  -0.905  -3.378
  532   3HD1  LEU  45          1HD1      LEU  45   5.129   0.512  -2.785
  533   1HD2  LEU  45          1HD2      LEU  45   3.085   0.336  -5.921
  534   2HD2  LEU  45          3HD2      LEU  45   4.475  -0.090  -6.925
  535   3HD2  LEU  45          2HD2      LEU  45   3.870  -1.226  -5.717
  536    MD1  LEU  45           QD1      LEU  45   4.290   0.097  -3.185
  537    MD2  LEU  45           QD2      LEU  45   3.810  -0.327  -6.188
  538    QB   LEU  45           QB       LEU  45   4.850   2.215  -5.644
  539    QD   LEU  45           QQD      LEU  45   4.050  -0.115  -4.686
  540    H    ILE  46           H        ILE  46   5.187   4.988  -4.175
  541    HA   ILE  46           HA       ILE  46   6.383   6.312  -6.337
  542    HB   ILE  46           HB       ILE  46   5.282   7.380  -3.715
  543   1HG1  ILE  46          2HG1      ILE  46   4.063   7.161  -6.470
  544   2HG1  ILE  46          1HG1      ILE  46   3.664   6.175  -5.068
  545   1HG2  ILE  46          2HG2      ILE  46   6.787   9.045  -4.684
  546   2HG2  ILE  46          1HG2      ILE  46   5.891   8.947  -6.202
  547   3HG2  ILE  46          3HG2      ILE  46   5.102   9.574  -4.755
  548   1HD1  ILE  46          1HD1      ILE  46   2.830   8.196  -3.935
  549   2HD1  ILE  46          3HD1      ILE  46   3.171   9.124  -5.393
  550   3HD1  ILE  46          2HD1      ILE  46   1.970   7.831  -5.427
  551    MG   ILE  46           QG2      ILE  46   5.927   9.188  -5.214
  552    MD   ILE  46           QD1      ILE  46   2.657   8.384  -4.918
  553    QG   ILE  46           QG1      ILE  46   3.863   6.668  -5.769
  554    H    GLU  47           H        GLU  47   7.325   5.913  -3.040
  555    HA   GLU  47           HA       GLU  47   9.590   7.505  -2.769
  556   1HB   GLU  47          2HB       GLU  47   8.444   6.341  -0.956
  557   2HB   GLU  47          1HB       GLU  47   8.967   4.797  -1.593
  558   1HG   GLU  47          2HG       GLU  47  11.332   5.625  -1.244
  559   2HG   GLU  47          1HG       GLU  47  10.606   6.937  -0.317
  560    QB   GLU  47           QB       GLU  47   8.705   5.569  -1.274
  561    QG   GLU  47           QG       GLU  47  10.969   6.281  -0.780
  562    H    LEU  48           H        LEU  48   9.170   4.452  -4.421
  563    HA   LEU  48           HA       LEU  48  11.846   3.555  -4.388
  564   1HB   LEU  48          2HB       LEU  48   9.955   2.049  -4.731
  565   2HB   LEU  48          1HB       LEU  48   9.529   2.864  -6.206
  566    HG   LEU  48           HG       LEU  48  10.553   0.577  -6.434
  567   1HD1  LEU  48          3HD1      LEU  48  11.923   2.811  -7.893
  568   2HD1  LEU  48          2HD1      LEU  48  11.941   1.115  -8.371
  569   3HD1  LEU  48          1HD1      LEU  48  10.421   2.009  -8.350
  570   1HD2  LEU  48          1HD2      LEU  48  12.284   0.753  -4.736
  571   2HD2  LEU  48          3HD2      LEU  48  12.994   0.380  -6.307
  572   3HD2  LEU  48          2HD2      LEU  48  13.086   2.019  -5.666
  573    MD1  LEU  48           QD1      LEU  48  11.428   1.978  -8.205
  574    MD2  LEU  48           QD2      LEU  48  12.788   1.050  -5.570
  575    QB   LEU  48           QB       LEU  48   9.742   2.456  -5.469
  576    QD   LEU  48           QQD      LEU  48  12.108   1.514  -6.887
  577    H    LYS  49           H        LYS  49  10.109   5.670  -6.570
  578    HA   LYS  49           HA       LYS  49  12.068   5.546  -8.639
  579   1HB   LYS  49          2HB       LYS  49   9.825   7.478  -8.134
  580   2HB   LYS  49          1HB       LYS  49  10.962   7.717  -9.444
  581   1HG   LYS  49          2HG       LYS  49   9.048   6.687 -10.374
  582   2HG   LYS  49          1HG       LYS  49  10.306   5.471 -10.305
  583   1HD   LYS  49          2HD       LYS  49   9.304   4.499  -8.316
  584   2HD   LYS  49          1HD       LYS  49   8.049   5.746  -8.328
  585   1HE   LYS  49          2HE       LYS  49   7.160   3.753  -9.328
  586   2HE   LYS  49          1HE       LYS  49   7.368   4.981 -10.570
  587   1HZ   LYS  49          3HZ       LYS  49   9.543   3.809 -11.153
  588   2HZ   LYS  49          2HZ       LYS  49   9.013   2.562 -10.114
  589   3HZ   LYS  49          1HZ       LYS  49   8.122   2.962 -11.447
  590    QB   LYS  49           QB       LYS  49  10.394   7.597  -8.789
  591    QD   LYS  49           QD       LYS  49   8.676   5.122  -8.322
  592    QG   LYS  49           QG       LYS  49   9.677   6.079 -10.340
  593    QE   LYS  49           QE       LYS  49   7.264   4.367  -9.949
  594    QZ   LYS  49           QZ       LYS  49   8.892   3.111 -10.905
  595    H    THR  50           H        THR  50  11.695   7.447  -5.795
  596    HA   THR  50           HA       THR  50  13.217   9.677  -6.367
  597    HB   THR  50           HB       THR  50  12.856   8.292  -3.714
  598    HG1  THR  50          1HG       THR  50  11.177   9.804  -5.405
  599   1HG2  THR  50          2HG2      THR  50  13.139  11.226  -4.464
  600   2HG2  THR  50          1HG2      THR  50  12.866  10.607  -2.831
  601   3HG2  THR  50          3HG2      THR  50  14.375  10.250  -3.672
  602    MG   THR  50           QG2      THR  50  13.460  10.695  -3.656
  603    H    LYS  51           H        LYS  51  14.283   6.454  -5.854
  604    HA   LYS  51           HA       LYS  51  16.904   7.036  -4.875
  605   1HB   LYS  51          2HB       LYS  51  15.725   4.570  -6.157
  606   2HB   LYS  51          1HB       LYS  51  17.435   4.690  -5.799
  607   1HG   LYS  51          2HG       LYS  51  16.340   3.448  -4.071
  608   2HG   LYS  51          1HG       LYS  51  16.898   4.979  -3.415
  609   1HD   LYS  51          2HD       LYS  51  14.614   5.861  -3.591
  610   2HD   LYS  51          1HD       LYS  51  14.074   4.308  -4.234
  611   1HE   LYS  51          2HE       LYS  51  14.741   3.193  -2.189
  612   2HE   LYS  51          1HE       LYS  51  15.372   4.708  -1.551
  613   1HZ   LYS  51          2HZ       LYS  51  13.133   5.608  -1.708
  614   2HZ   LYS  51          1HZ       LYS  51  12.521   4.094  -2.129
  615   3HZ   LYS  51          3HZ       LYS  51  13.251   4.344  -0.614
  616    QB   LYS  51           QB       LYS  51  16.580   4.630  -5.978
  617    QD   LYS  51           QD       LYS  51  14.344   5.085  -3.912
  618    QG   LYS  51           QG       LYS  51  16.619   4.213  -3.743
  619    QE   LYS  51           QE       LYS  51  15.056   3.951  -1.870
  620    QZ   LYS  51           QZ       LYS  51  12.969   4.682  -1.484
  621    H    LYS  52           H        LYS  52  15.394   7.201  -7.918
  622    HA   LYS  52           HA       LYS  52  15.912   7.445 -10.011
  623   1HB   LYS  52          2HB       LYS  52  17.501   9.229 -10.615
  624   2HB   LYS  52          1HB       LYS  52  16.377   9.655  -9.340
  625   1HG   LYS  52          2HG       LYS  52  18.122   9.377  -7.691
  626   2HG   LYS  52          1HG       LYS  52  19.258   8.874  -8.942
  627   1HD   LYS  52          2HD       LYS  52  19.602  11.232  -8.384
  628   2HD   LYS  52          1HD       LYS  52  18.972  11.096 -10.027
  629   1HE   LYS  52          2HE       LYS  52  16.711  11.623  -9.185
  630   2HE   LYS  52          1HE       LYS  52  17.368  11.771  -7.553
  631   1HZ   LYS  52          2HZ       LYS  52  18.731  13.627  -8.352
  632   2HZ   LYS  52          1HZ       LYS  52  18.069  13.455  -9.888
  633   3HZ   LYS  52          3HZ       LYS  52  17.090  13.906  -8.600
  634    QB   LYS  52           QB       LYS  52  16.939   9.442  -9.978
  635    QD   LYS  52           QD       LYS  52  19.287  11.164  -9.205
  636    QG   LYS  52           QG       LYS  52  18.690   9.125  -8.317
  637    QE   LYS  52           QE       LYS  52  17.039  11.697  -8.369
  638    QZ   LYS  52           QZ       LYS  52  17.964  13.663  -8.947
  639    H    LYS  53           H        LYS  53  18.172   5.707  -8.414
  640    HA   LYS  53           HA       LYS  53  19.707   4.959 -10.734
  641   1HB   LYS  53          2HB       LYS  53  20.656   3.255  -9.282
  642   2HB   LYS  53          1HB       LYS  53  20.464   4.773  -8.389
  643   1HG   LYS  53          2HG       LYS  53  18.420   3.924  -7.371
  644   2HG   LYS  53          1HG       LYS  53  18.622   2.400  -8.227
  645   1HD   LYS  53          2HD       LYS  53  20.747   2.041  -7.065
  646   2HD   LYS  53          1HD       LYS  53  20.512   3.562  -6.192
  647   1HE   LYS  53          2HE       LYS  53  18.384   2.645  -5.302
  648   2HE   LYS  53          1HE       LYS  53  18.771   1.114  -6.075
  649   1HZ   LYS  53          2HZ       LYS  53  20.416   2.461  -4.013
  650   2HZ   LYS  53          1HZ       LYS  53  19.417   1.136  -3.742
  651   3HZ   LYS  53          3HZ       LYS  53  20.766   0.978  -4.741
  652    QB   LYS  53           QB       LYS  53  20.560   4.014  -8.835
  653    QD   LYS  53           QD       LYS  53  20.629   2.801  -6.628
  654    QG   LYS  53           QG       LYS  53  18.521   3.162  -7.799
  655    QE   LYS  53           QE       LYS  53  18.577   1.879  -5.688
  656    QZ   LYS  53           QZ       LYS  53  20.200   1.525  -4.165
  657    H    ARG  54           H        ARG  54  16.689   4.527  -9.590
  658    HA   ARG  54           HA       ARG  54  15.995   2.114 -11.097
  659   1HB   ARG  54          2HB       ARG  54  14.351   4.003  -9.389
  660   2HB   ARG  54          1HB       ARG  54  13.739   2.561 -10.185
  661   1HG   ARG  54          2HG       ARG  54  15.797   2.627  -7.987
  662   2HG   ARG  54          1HG       ARG  54  14.101   2.162  -7.814
  663   1HD   ARG  54          2HD       ARG  54  14.495   0.361  -9.480
  664   2HD   ARG  54          1HD       ARG  54  16.198   0.809  -9.476
  665    HE   ARG  54           HE       ARG  54  15.340   0.281  -6.859
  666   1HH1  ARG  54          1HH1      ARG  54  16.357  -1.298  -9.863
  667   2HH1  ARG  54          2HH1      ARG  54  16.615  -2.814  -9.158
  668   1HH2  ARG  54          1HH2      ARG  54  15.695  -1.821  -5.850
  669   2HH2  ARG  54          2HH2      ARG  54  16.210  -3.125  -6.820
  670    QB   ARG  54           QB       ARG  54  14.045   3.282  -9.787
  671    QG   ARG  54           QG       ARG  54  14.949   2.394  -7.900
  672    QD   ARG  54           QD       ARG  54  15.346   0.585  -9.478
  673    QH1  ARG  54           QH1      ARG  54  16.486  -2.056  -9.511
  674    QH2  ARG  54           QH2      ARG  54  15.952  -2.473  -6.335
  675    H    TYR  55           H        TYR  55  15.683   2.369 -13.124
  676    HA   TYR  55           HA       TYR  55  15.542   5.047 -14.026
  677   1HB   TYR  55          2HB       TYR  55  15.875   2.496 -15.575
  678   2HB   TYR  55          1HB       TYR  55  15.786   4.093 -16.319
  679    HD1  TYR  55          1HD       TYR  55  17.539   5.760 -15.892
  680    HD2  TYR  55          2HD       TYR  55  17.852   1.789 -14.405
  681    HE1  TYR  55          1HE       TYR  55  19.928   6.120 -15.450
  682    HE2  TYR  55          2HE       TYR  55  20.240   2.136 -13.965
  683    HH   TYR  55           HH       TYR  55  22.030   3.552 -14.687
  684    QB   TYR  55           QB       TYR  55  15.831   3.294 -15.947
  685    QD   TYR  55           QD       TYR  55  17.696   3.775 -15.149
  686    QE   TYR  55           QE       TYR  55  20.084   4.128 -14.708
  687    QR   TYR  55           QR       TYR  55  18.890   3.951 -14.928
  688    H    SER  56           H        SER  56  13.639   5.319 -13.040
  689    HA   SER  56           HA       SER  56  11.367   4.845 -14.856
  690   1HB   SER  56          2HB       SER  56  11.415   6.081 -12.093
  691   2HB   SER  56          1HB       SER  56   9.971   5.711 -13.036
  692    HG   SER  56           HG       SER  56  11.143   3.499 -13.042
  693    QB   SER  56           QB       SER  56  10.693   5.896 -12.565
  694    H    LEU  57           H        LEU  57  13.830   6.821 -14.801
  695    HA   LEU  57           HA       LEU  57  12.687   9.428 -14.632
  696   1HB   LEU  57          2HB       LEU  57  15.351   8.547 -15.746
  697   2HB   LEU  57          1HB       LEU  57  14.852  10.220 -15.664
  698    HG   LEU  57           HG       LEU  57  14.692   9.926 -13.144
  699   1HD1  LEU  57          2HD1      LEU  57  14.588   7.513 -13.033
  700   2HD1  LEU  57          1HD1      LEU  57  16.209   7.396 -13.719
  701   3HD1  LEU  57          3HD1      LEU  57  15.976   8.128 -12.133
  702   1HD2  LEU  57          3HD2      LEU  57  17.385   9.585 -14.449
  703   2HD2  LEU  57          2HD2      LEU  57  16.527  11.106 -14.193
  704   3HD2  LEU  57          1HD2      LEU  57  17.101  10.173 -12.811
  705    MD1  LEU  57           QD1      LEU  57  15.591   7.679 -12.961
  706    MD2  LEU  57           QD2      LEU  57  17.004  10.288 -13.818
  707    QB   LEU  57           QB       LEU  57  15.101   9.384 -15.705
  708    QD   LEU  57           QQD      LEU  57  16.298   8.983 -13.389
  709    H    LEU  58           H        LEU  58  12.953   7.162 -17.219
  710    HA   LEU  58           HA       LEU  58  12.302   9.213 -19.181
  711   1HB   LEU  58          2HB       LEU  58  12.701   6.224 -19.566
  712   2HB   LEU  58          1HB       LEU  58  12.340   7.358 -20.832
  713    HG   LEU  58           HG       LEU  58  14.614   6.808 -20.993
  714   1HD1  LEU  58          1HD1      LEU  58  14.140   9.104 -21.462
  715   2HD1  LEU  58          3HD1      LEU  58  14.426   9.537 -19.773
  716   3HD1  LEU  58          2HD1      LEU  58  15.753   8.936 -20.768
  717   1HD2  LEU  58          1HD2      LEU  58  14.966   7.564 -18.090
  718   2HD2  LEU  58          3HD2      LEU  58  15.082   5.941 -18.773
  719   3HD2  LEU  58          2HD2      LEU  58  16.277   7.165 -19.198
  720    MD1  LEU  58           QD1      LEU  58  14.773   9.192 -20.668
  721    MD2  LEU  58           QD2      LEU  58  15.441   6.890 -18.687
  722    QB   LEU  58           QB       LEU  58  12.520   6.791 -20.199
  723    QD   LEU  58           QQD      LEU  58  15.107   8.041 -19.677
  724    H    GLU  59           H        GLU  59  10.811   7.230 -17.043
  725    HA   GLU  59           HA       GLU  59   8.292   6.984 -18.519
  726   1HB   GLU  59          2HB       GLU  59   8.917   6.162 -15.663
  727   2HB   GLU  59          1HB       GLU  59   7.482   5.755 -16.578
  728   1HG   GLU  59          2HG       GLU  59   8.834   4.379 -18.069
  729   2HG   GLU  59          1HG       GLU  59  10.277   4.815 -17.146
  730    QB   GLU  59           QB       GLU  59   8.200   5.959 -16.121
  731    QG   GLU  59           QG       GLU  59   9.555   4.597 -17.607
  732    H    HIS  60           H        HIS  60   8.963   7.832 -15.272
  733    HA   HIS  60           HA       HIS  60   8.114  10.501 -15.232
  734   1HB   HIS  60          2HB       HIS  60   5.876   9.336 -15.619
  735   2HB   HIS  60          1HB       HIS  60   6.113   8.508 -14.089
  736    HD1  HIS  60          1HD       HIS  60   5.330  11.911 -15.507
  737    HD2  HIS  60          2HD       HIS  60   5.525   9.995 -11.829
  738    HE1  HIS  60          1HE       HIS  60   4.232  13.463 -13.857
  739    QB   HIS  60           QB       HIS  60   5.994   8.922 -14.854
  740    H    HIS  61           H        HIS  61   9.260  11.212 -13.549
  741    HA   HIS  61           HA       HIS  61  10.268   9.260 -11.624
  742   1HB   HIS  61          2HB       HIS  61  11.890  10.691 -12.885
  743   2HB   HIS  61          1HB       HIS  61  11.150  12.115 -12.173
  744    HD1  HIS  61          1HD       HIS  61  11.894  12.741  -9.774
  745    HD2  HIS  61          2HD       HIS  61  13.463   9.145 -11.134
  746    HE1  HIS  61          1HE       HIS  61  13.657  12.078  -8.119
  747    QB   HIS  61           QB       HIS  61  11.520  11.403 -12.529
  748    H    HIS  62           H        HIS  62  10.178   9.774  -9.333
  749    HA   HIS  62           HA       HIS  62   8.069  11.680  -8.683
  750   1HB   HIS  62          2HB       HIS  62   8.404   8.897  -7.576
  751   2HB   HIS  62          1HB       HIS  62   7.395  10.133  -6.841
  752    HD1  HIS  62          1HD       HIS  62   5.094  10.618  -7.982
  753    HD2  HIS  62          2HD       HIS  62   7.402   7.761  -9.931
  754    HE1  HIS  62          1HE       HIS  62   3.580   9.507  -9.628
  755    QB   HIS  62           QB       HIS  62   7.899   9.515  -7.209
  756    H    HIS  63           H        HIS  63   8.317  12.871  -6.926
  757    HA   HIS  63           HA       HIS  63   9.305  14.069  -5.335
  758   1HB   HIS  63          2HB       HIS  63  10.951  11.588  -4.752
  759   2HB   HIS  63          1HB       HIS  63  10.936  13.028  -3.755
  760    HD1  HIS  63          1HD       HIS  63   9.728   9.804  -3.638
  761    HD2  HIS  63          2HD       HIS  63   7.929  13.488  -3.012
  762    HE1  HIS  63          1HE       HIS  63   7.689   9.355  -2.188
  763    QB   HIS  63           QB       HIS  63  10.943  12.308  -4.254
  764    H    HIS  64           H        HIS  64  10.289  15.684  -6.241
  765    HA   HIS  64           HA       HIS  64  12.337  15.453  -8.133
  766   1HB   HIS  64          2HB       HIS  64  11.308  17.856  -6.615
  767   2HB   HIS  64          1HB       HIS  64  12.345  17.904  -8.030
  768    HD1  HIS  64          1HD       HIS  64   8.788  17.448  -7.003
  769    HD2  HIS  64          2HD       HIS  64  11.083  17.274 -10.454
  770    HE1  HIS  64          1HE       HIS  64   7.158  17.389  -8.917
  771    QB   HIS  64           QB       HIS  64  11.827  17.880  -7.322

  No H/Q in entry =         771
  Start of MODEL   13
    1    H1   MET   1          2HT       MET   1  10.097  -5.146   3.741
    2    H2   MET   1          1HT       MET   1   9.018  -6.418   3.637
    3    H3   MET   1          3HT       MET   1   9.856  -6.141   5.066
    4    HA   MET   1           HA       MET   1  11.949  -6.603   4.034
    5   1HB   MET   1          2HB       MET   1   9.886  -8.769   3.662
    6   2HB   MET   1          1HB       MET   1  11.602  -9.039   3.436
    7   1HG   MET   1          2HG       MET   1  10.995  -9.840   5.590
    8   2HG   MET   1          1HG       MET   1  11.959  -8.385   5.800
    9   1HE   MET   1          1HE       MET   1  11.172  -8.341   8.328
   10   2HE   MET   1          3HE       MET   1   9.483  -8.330   8.835
   11   3HE   MET   1          2HE       MET   1  10.163  -9.765   8.073
   12    QB   MET   1           QB       MET   1  10.744  -8.904   3.549
   13    QG   MET   1           QG       MET   1  11.477  -9.112   5.695
   14    ME   MET   1           QE       MET   1  10.273  -8.812   8.412
   15    H    ASN   2           H        ASN   2   9.256  -6.982   1.719
   16    HA   ASN   2           HA       ASN   2  11.174  -6.521  -0.426
   17   1HB   ASN   2          2HB       ASN   2   9.090  -8.703  -0.334
   18   2HB   ASN   2          1HB       ASN   2   9.809  -8.146  -1.832
   19   1HD2  ASN   2          1HD2      ASN   2  11.965  -8.637  -2.251
   20   2HD2  ASN   2          2HD2      ASN   2  12.791  -9.870  -1.377
   21    QB   ASN   2           QB       ASN   2   9.450  -8.424  -1.083
   22    QD   ASN   2           QD2      ASN   2  12.378  -9.253  -1.814
   23    H    VAL   3           H        VAL   3  10.489  -4.925  -1.710
   24    HA   VAL   3           HA       VAL   3   7.969  -3.739  -1.257
   25    HB   VAL   3           HB       VAL   3   8.465  -2.218  -3.159
   26   1HG1  VAL   3          3HG1      VAL   3  10.677  -2.580  -1.158
   27   2HG1  VAL   3          2HG1      VAL   3  10.402  -1.128  -2.114
   28   3HG1  VAL   3          1HG1      VAL   3   9.196  -1.653  -0.934
   29   1HG2  VAL   3          3HG2      VAL   3   9.728  -3.755  -4.592
   30   2HG2  VAL   3          2HG2      VAL   3  10.679  -2.311  -4.241
   31   3HG2  VAL   3          1HG2      VAL   3  11.022  -3.818  -3.397
   32    MG1  VAL   3           QG1      VAL   3  10.092  -1.787  -1.402
   33    MG2  VAL   3           QG2      VAL   3  10.476  -3.295  -4.077
   34    QG   VAL   3           QQG      VAL   3  10.284  -2.541  -2.739
   35    H    THR   4           H        THR   4   9.019  -6.143  -3.499
   36    HA   THR   4           HA       THR   4   6.809  -5.855  -5.219
   37    HB   THR   4           HB       THR   4   8.759  -7.102  -5.990
   38    HG1  THR   4          1HG       THR   4   7.708  -8.711  -6.983
   39   1HG2  THR   4          1HG2      THR   4   9.437  -8.087  -3.853
   40   2HG2  THR   4          3HG2      THR   4   8.051  -9.174  -3.915
   41   3HG2  THR   4          2HG2      THR   4   9.336  -9.312  -5.115
   42    MG   THR   4           QG2      THR   4   8.941  -8.858  -4.295
   43    H    LYS   5           H        LYS   5   7.278  -7.635  -2.191
   44    HA   LYS   5           HA       LYS   5   4.708  -8.823  -2.261
   45   1HB   LYS   5          2HB       LYS   5   6.888  -8.585  -0.248
   46   2HB   LYS   5          1HB       LYS   5   5.277  -8.971   0.333
   47   1HG   LYS   5          2HG       LYS   5   6.691 -10.959  -0.054
   48   2HG   LYS   5          1HG       LYS   5   5.192 -10.951  -0.993
   49   1HD   LYS   5          2HD       LYS   5   6.483 -10.194  -2.954
   50   2HD   LYS   5          1HD       LYS   5   7.966 -10.299  -1.994
   51   1HE   LYS   5          2HE       LYS   5   7.642 -12.683  -1.710
   52   2HE   LYS   5          1HE       LYS   5   6.092 -12.600  -2.538
   53   1HZ   LYS   5          1HZ       LYS   5   8.719 -11.983  -3.796
   54   2HZ   LYS   5          3HZ       LYS   5   7.876 -13.424  -3.946
   55   3HZ   LYS   5          2HZ       LYS   5   7.227 -12.018  -4.579
   56    QB   LYS   5           QB       LYS   5   6.083  -8.778   0.042
   57    QD   LYS   5           QD       LYS   5   7.224 -10.246  -2.474
   58    QG   LYS   5           QG       LYS   5   5.942 -10.955  -0.523
   59    QE   LYS   5           QE       LYS   5   6.867 -12.641  -2.124
   60    QZ   LYS   5           QZ       LYS   5   7.941 -12.475  -4.107
   61    H    LEU   6           H        LEU   6   6.013  -5.828  -1.098
   62    HA   LEU   6           HA       LEU   6   3.787  -4.888   0.334
   63   1HB   LEU   6          2HB       LEU   6   6.039  -3.789   0.263
   64   2HB   LEU   6          1HB       LEU   6   5.708  -3.339  -1.396
   65    HG   LEU   6           HG       LEU   6   3.939  -1.811  -0.669
   66   1HD1  LEU   6          2HD1      LEU   6   4.690  -2.645   2.127
   67   2HD1  LEU   6          1HD1      LEU   6   3.575  -1.351   1.691
   68   3HD1  LEU   6          3HD1      LEU   6   3.171  -3.024   1.312
   69   1HD2  LEU   6          3HD2      LEU   6   6.524  -1.451   0.831
   70   2HD2  LEU   6          2HD2      LEU   6   6.216  -0.984  -0.841
   71   3HD2  LEU   6          1HD2      LEU   6   5.349  -0.188   0.471
   72    MD1  LEU   6           QD1      LEU   6   3.812  -2.340   1.710
   73    MD2  LEU   6           QD2      LEU   6   6.030  -0.875   0.154
   74    QB   LEU   6           QB       LEU   6   5.874  -3.564  -0.566
   75    QD   LEU   6           QQD      LEU   6   4.921  -1.607   0.932
   76    H    ASN   7           H        ASN   7   4.724  -4.524  -3.058
   77    HA   ASN   7           HA       ASN   7   2.491  -3.193  -4.063
   78   1HB   ASN   7          2HB       ASN   7   4.545  -3.491  -5.357
   79   2HB   ASN   7          1HB       ASN   7   4.260  -5.225  -5.445
   80   1HD2  ASN   7          1HD2      ASN   7   4.143  -5.363  -7.619
   81   2HD2  ASN   7          2HD2      ASN   7   2.908  -4.652  -8.587
   82    QB   ASN   7           QB       ASN   7   4.403  -4.358  -5.401
   83    QD   ASN   7           QD2      ASN   7   3.525  -5.007  -8.103
   84    H    ASP   8           H        ASP   8   3.108  -6.650  -3.730
   85    HA   ASP   8           HA       ASP   8   0.796  -7.672  -4.919
   86   1HB   ASP   8          2HB       ASP   8   2.745  -9.053  -4.226
   87   2HB   ASP   8          1HB       ASP   8   2.297  -8.807  -2.547
   88    QB   ASP   8           QB       ASP   8   2.521  -8.930  -3.387
   89    H    ARG   9           H        ARG   9   1.399  -6.697  -1.588
   90    HA   ARG   9           HA       ARG   9  -1.147  -7.283  -0.511
   91   1HB   ARG   9          2HB       ARG   9   0.831  -5.157   0.297
   92   2HB   ARG   9          1HB       ARG   9  -0.576  -5.618   1.232
   93   1HG   ARG   9          2HG       ARG   9   0.338  -7.828   1.571
   94   2HG   ARG   9          1HG       ARG   9   1.729  -7.425   0.555
   95   1HD   ARG   9          2HD       ARG   9   2.290  -7.197   2.916
   96   2HD   ARG   9          1HD       ARG   9   2.347  -5.647   2.091
   97    HE   ARG   9           HE       ARG   9  -0.193  -6.162   3.297
   98   1HH1  ARG   9          1HH1      ARG   9   3.026  -4.851   3.898
   99   2HH1  ARG   9          2HH1      ARG   9   2.554  -3.912   5.236
  100   1HH2  ARG   9          1HH2      ARG   9  -0.853  -4.897   5.103
  101   2HH2  ARG   9          2HH2      ARG   9   0.284  -3.954   5.969
  102    QB   ARG   9           QB       ARG   9   0.127  -5.388   0.764
  103    QG   ARG   9           QG       ARG   9   1.033  -7.626   1.063
  104    QD   ARG   9           QD       ARG   9   2.319  -6.422   2.504
  105    QH1  ARG   9           QH1      ARG   9   2.790  -4.382   4.567
  106    QH2  ARG   9           QH2      ARG   9  -0.285  -4.425   5.536
  107    H    ILE  10           H        ILE  10   0.183  -4.392  -2.002
  108    HA   ILE  10           HA       ILE  10  -2.014  -2.692  -1.566
  109    HB   ILE  10           HB       ILE  10   0.020  -2.593  -3.819
  110   1HG1  ILE  10          2HG1      ILE  10  -0.029  -1.134  -1.182
  111   2HG1  ILE  10          1HG1      ILE  10   0.937  -2.566  -1.500
  112   1HG2  ILE  10          1HG2      ILE  10  -1.972  -1.226  -4.297
  113   2HG2  ILE  10          3HG2      ILE  10  -1.790  -0.416  -2.740
  114   3HG2  ILE  10          2HG2      ILE  10  -0.561  -0.215  -3.991
  115   1HD1  ILE  10          1HD1      ILE  10   1.169   0.065  -2.919
  116   2HD1  ILE  10          3HD1      ILE  10   2.249  -0.529  -1.663
  117   3HD1  ILE  10          2HD1      ILE  10   2.165  -1.359  -3.215
  118    MG   ILE  10           QG2      ILE  10  -1.441  -0.619  -3.676
  119    MD   ILE  10           QD1      ILE  10   1.861  -0.608  -2.599
  120    QG   ILE  10           QG1      ILE  10   0.454  -1.850  -1.341
  121    H    GLU  11           H        GLU  11  -1.220  -4.847  -4.237
  122    HA   GLU  11           HA       GLU  11  -3.402  -4.124  -5.862
  123   1HB   GLU  11          2HB       GLU  11  -1.354  -5.426  -6.569
  124   2HB   GLU  11          1HB       GLU  11  -2.069  -6.821  -5.785
  125   1HG   GLU  11          2HG       GLU  11  -3.995  -6.697  -7.265
  126   2HG   GLU  11          1HG       GLU  11  -3.297  -5.288  -8.060
  127    QB   GLU  11           QB       GLU  11  -1.712  -6.123  -6.177
  128    QG   GLU  11           QG       GLU  11  -3.646  -5.993  -7.663
  129    H    ALA  12           H        ALA  12  -2.973  -6.579  -3.407
  130    HA   ALA  12           HA       ALA  12  -5.534  -7.755  -3.627
  131   1HB   ALA  12          1HB       ALA  12  -3.647  -8.857  -2.536
  132   2HB   ALA  12          2HB       ALA  12  -5.033  -8.751  -1.448
  133   3HB   ALA  12          3HB       ALA  12  -3.669  -7.647  -1.259
  134    MB   ALA  12           QB       ALA  12  -4.116  -8.419  -1.748
  135    H    LYS  13           H        LYS  13  -4.359  -4.880  -2.172
  136    HA   LYS  13           HA       LYS  13  -6.538  -4.517  -0.339
  137   1HB   LYS  13          2HB       LYS  13  -4.235  -3.556   0.009
  138   2HB   LYS  13          1HB       LYS  13  -4.540  -2.465  -1.329
  139   1HG   LYS  13          2HG       LYS  13  -4.883  -1.304   0.756
  140   2HG   LYS  13          1HG       LYS  13  -6.436  -1.499  -0.062
  141   1HD   LYS  13          2HD       LYS  13  -6.941  -3.433   1.350
  142   2HD   LYS  13          1HD       LYS  13  -5.381  -3.246   2.150
  143   1HE   LYS  13          2HE       LYS  13  -6.080  -1.059   2.979
  144   2HE   LYS  13          1HE       LYS  13  -7.625  -1.235   2.147
  145   1HZ   LYS  13          2HZ       LYS  13  -8.030  -3.233   3.489
  146   2HZ   LYS  13          1HZ       LYS  13  -6.607  -2.996   4.301
  147   3HZ   LYS  13          3HZ       LYS  13  -7.856  -1.884   4.495
  148    QB   LYS  13           QB       LYS  13  -4.387  -3.010  -0.660
  149    QD   LYS  13           QD       LYS  13  -6.161  -3.340   1.750
  150    QG   LYS  13           QG       LYS  13  -5.659  -1.401   0.347
  151    QE   LYS  13           QE       LYS  13  -6.852  -1.147   2.563
  152    QZ   LYS  13           QZ       LYS  13  -7.498  -2.704   4.095
  153    H    LYS  14           H        LYS  14  -5.656  -3.549  -3.545
  154    HA   LYS  14           HA       LYS  14  -7.689  -1.667  -4.076
  155   1HB   LYS  14          2HB       LYS  14  -6.336  -3.600  -5.965
  156   2HB   LYS  14          1HB       LYS  14  -7.295  -2.213  -6.452
  157   1HG   LYS  14          2HG       LYS  14  -5.669  -0.707  -5.532
  158   2HG   LYS  14          1HG       LYS  14  -4.747  -2.057  -4.855
  159   1HD   LYS  14          2HD       LYS  14  -4.355  -2.904  -7.061
  160   2HD   LYS  14          1HD       LYS  14  -5.281  -1.578  -7.783
  161   1HE   LYS  14          2HE       LYS  14  -3.632   0.000  -6.739
  162   2HE   LYS  14          1HE       LYS  14  -2.694  -1.407  -6.239
  163   1HZ   LYS  14          3HZ       LYS  14  -3.355  -0.712  -9.046
  164   2HZ   LYS  14          2HZ       LYS  14  -1.865  -0.451  -8.314
  165   3HZ   LYS  14          1HZ       LYS  14  -2.418  -2.019  -8.554
  166    QB   LYS  14           QB       LYS  14  -6.816  -2.906  -6.209
  167    QD   LYS  14           QD       LYS  14  -4.818  -2.241  -7.422
  168    QG   LYS  14           QG       LYS  14  -5.208  -1.382  -5.194
  169    QE   LYS  14           QE       LYS  14  -3.163  -0.703  -6.489
  170    QZ   LYS  14           QZ       LYS  14  -2.546  -1.060  -8.638
  171    H    LYS  15           H        LYS  15  -7.461  -5.135  -4.634
  172    HA   LYS  15           HA       LYS  15 -10.058  -5.503  -5.706
  173   1HB   LYS  15          2HB       LYS  15  -8.401  -7.526  -4.191
  174   2HB   LYS  15          1HB       LYS  15  -9.713  -7.874  -5.303
  175   1HG   LYS  15          2HG       LYS  15  -7.042  -6.670  -6.000
  176   2HG   LYS  15          1HG       LYS  15  -7.577  -8.314  -6.335
  177   1HD   LYS  15          2HD       LYS  15  -9.356  -7.411  -7.788
  178   2HD   LYS  15          1HD       LYS  15  -8.758  -5.778  -7.472
  179   1HE   LYS  15          2HE       LYS  15  -7.893  -6.566  -9.595
  180   2HE   LYS  15          1HE       LYS  15  -6.582  -6.417  -8.426
  181   1HZ   LYS  15          2HZ       LYS  15  -6.714  -8.817  -8.048
  182   2HZ   LYS  15          1HZ       LYS  15  -7.953  -8.922  -9.178
  183   3HZ   LYS  15          3HZ       LYS  15  -6.413  -8.473  -9.677
  184    QB   LYS  15           QB       LYS  15  -9.057  -7.700  -4.747
  185    QD   LYS  15           QD       LYS  15  -9.057  -6.595  -7.630
  186    QG   LYS  15           QG       LYS  15  -7.309  -7.492  -6.167
  187    QE   LYS  15           QE       LYS  15  -7.238  -6.492  -9.010
  188    QZ   LYS  15           QZ       LYS  15  -7.027  -8.737  -8.968
  189    H    GLU  16           H        GLU  16  -8.826  -5.322  -2.502
  190    HA   GLU  16           HA       GLU  16 -11.016  -6.499  -1.116
  191   1HB   GLU  16          2HB       GLU  16  -8.673  -6.210  -0.234
  192   2HB   GLU  16          1HB       GLU  16  -8.987  -4.490  -0.135
  193   1HG   GLU  16          2HG       GLU  16 -10.807  -4.948   1.457
  194   2HG   GLU  16          1HG       GLU  16 -10.390  -6.659   1.394
  195    QB   GLU  16           QB       GLU  16  -8.830  -5.350  -0.185
  196    QG   GLU  16           QG       GLU  16 -10.599  -5.803   1.425
  197    H    LEU  17           H        LEU  17  -9.939  -3.243  -1.862
  198    HA   LEU  17           HA       LEU  17 -12.139  -1.859  -0.768
  199   1HB   LEU  17          2HB       LEU  17  -9.815  -1.259  -2.374
  200   2HB   LEU  17          1HB       LEU  17 -11.191  -0.286  -2.819
  201    HG   LEU  17           HG       LEU  17  -9.958  -0.486  -0.057
  202   1HD1  LEU  17          1HD1      LEU  17  -9.946   1.740  -2.087
  203   2HD1  LEU  17          3HD1      LEU  17  -9.322   1.832  -0.442
  204   3HD1  LEU  17          2HD1      LEU  17  -8.568   0.743  -1.608
  205   1HD2  LEU  17          2HD2      LEU  17 -12.240   1.203  -1.073
  206   2HD2  LEU  17          1HD2      LEU  17 -12.359  -0.086   0.120
  207   3HD2  LEU  17          3HD2      LEU  17 -11.471   1.391   0.497
  208    MD1  LEU  17           QD1      LEU  17  -9.279   1.438  -1.379
  209    MD2  LEU  17           QD2      LEU  17 -12.023   0.836  -0.152
  210    QB   LEU  17           QB       LEU  17 -10.503  -0.773  -2.597
  211    QD   LEU  17           QQD      LEU  17 -10.651   1.137  -0.765
  212    H    ILE  18           H        ILE  18 -11.629  -3.221  -3.961
  213    HA   ILE  18           HA       ILE  18 -13.935  -2.092  -5.126
  214    HB   ILE  18           HB       ILE  18 -12.666  -4.794  -5.721
  215   1HG1  ILE  18          2HG1      ILE  18 -12.298  -2.133  -7.113
  216   2HG1  ILE  18          1HG1      ILE  18 -11.138  -2.863  -6.011
  217   1HG2  ILE  18          1HG2      ILE  18 -14.950  -4.683  -6.566
  218   2HG2  ILE  18          3HG2      ILE  18 -14.591  -3.163  -7.385
  219   3HG2  ILE  18          2HG2      ILE  18 -13.799  -4.656  -7.901
  220   1HD1  ILE  18          2HD1      ILE  18 -10.869  -4.738  -7.566
  221   2HD1  ILE  18          1HD1      ILE  18 -12.017  -3.975  -8.664
  222   3HD1  ILE  18          3HD1      ILE  18 -10.474  -3.192  -8.318
  223    MG   ILE  18           QG2      ILE  18 -14.447  -4.167  -7.284
  224    MD   ILE  18           QD1      ILE  18 -11.120  -3.968  -8.183
  225    QG   ILE  18           QG1      ILE  18 -11.718  -2.498  -6.562
  226    H    TYR  19           H        TYR  19 -13.432  -5.146  -3.458
  227    HA   TYR  19           HA       TYR  19 -16.079  -6.043  -3.559
  228   1HB   TYR  19          2HB       TYR  19 -14.227  -7.543  -3.082
  229   2HB   TYR  19          1HB       TYR  19 -13.863  -6.669  -1.599
  230    HD1  TYR  19          1HD       TYR  19 -14.881  -7.275   0.415
  231    HD2  TYR  19          2HD       TYR  19 -16.469  -8.722  -3.250
  232    HE1  TYR  19          1HE       TYR  19 -16.403  -8.732   1.659
  233    HE2  TYR  19          2HE       TYR  19 -17.994 -10.191  -2.011
  234    HH   TYR  19           HH       TYR  19 -18.511  -9.814   1.310
  235    QB   TYR  19           QB       TYR  19 -14.045  -7.106  -2.341
  236    QD   TYR  19           QD       TYR  19 -15.675  -7.999  -1.418
  237    QE   TYR  19           QE       TYR  19 -17.198  -9.461  -0.176
  238    QR   TYR  19           QR       TYR  19 -16.437  -8.730  -0.797
  239    H    LEU  20           H        LEU  20 -14.315  -4.361  -0.972
  240    HA   LEU  20           HA       LEU  20 -16.494  -4.289   0.804
  241   1HB   LEU  20          2HB       LEU  20 -13.993  -2.631   0.754
  242   2HB   LEU  20          1HB       LEU  20 -15.175  -2.590   2.046
  243    HG   LEU  20           HG       LEU  20 -13.535  -4.992   1.239
  244   1HD1  LEU  20          1HD1      LEU  20 -12.215  -3.271   2.341
  245   2HD1  LEU  20          3HD1      LEU  20 -13.373  -3.216   3.668
  246   3HD1  LEU  20          2HD1      LEU  20 -12.427  -4.675   3.386
  247   1HD2  LEU  20          1HD2      LEU  20 -15.548  -4.607   3.452
  248   2HD2  LEU  20          3HD2      LEU  20 -15.692  -5.699   2.073
  249   3HD2  LEU  20          2HD2      LEU  20 -14.470  -5.996   3.307
  250    MD1  LEU  20           QD1      LEU  20 -12.672  -3.721   3.132
  251    MD2  LEU  20           QD2      LEU  20 -15.237  -5.434   2.944
  252    QB   LEU  20           QB       LEU  20 -14.584  -2.610   1.400
  253    QD   LEU  20           QQD      LEU  20 -13.954  -4.577   3.038
  254    H    VAL  21           H        VAL  21 -15.479  -1.981  -1.668
  255    HA   VAL  21           HA       VAL  21 -17.136   0.079  -0.684
  256    HB   VAL  21           HB       VAL  21 -15.225   0.278  -2.355
  257   1HG1  VAL  21          2HG1      VAL  21 -17.264  -0.494  -4.376
  258   2HG1  VAL  21          1HG1      VAL  21 -15.742   0.336  -4.738
  259   3HG1  VAL  21          3HG1      VAL  21 -15.716  -1.255  -3.983
  260   1HG2  VAL  21          1HG2      VAL  21 -16.513   2.205  -1.712
  261   2HG2  VAL  21          3HG2      VAL  21 -16.142   2.294  -3.436
  262   3HG2  VAL  21          2HG2      VAL  21 -17.753   1.803  -2.908
  263    MG1  VAL  21           QG1      VAL  21 -16.241  -0.471  -4.365
  264    MG2  VAL  21           QG2      VAL  21 -16.803   2.101  -2.686
  265    QG   VAL  21           QQG      VAL  21 -16.522   0.815  -3.526
  266    H    GLU  22           H        GLU  22 -17.618  -2.459  -2.950
  267    HA   GLU  22           HA       GLU  22 -20.280  -1.717  -3.627
  268   1HB   GLU  22          2HB       GLU  22 -19.060  -4.463  -3.775
  269   2HB   GLU  22          1HB       GLU  22 -20.564  -3.963  -4.539
  270   1HG   GLU  22          2HG       GLU  22 -19.232  -2.289  -5.837
  271   2HG   GLU  22          1HG       GLU  22 -17.778  -3.039  -5.177
  272    QB   GLU  22           QB       GLU  22 -19.812  -4.213  -4.157
  273    QG   GLU  22           QG       GLU  22 -18.505  -2.664  -5.507
  274    H    LYS  23           H        LYS  23 -18.989  -3.746  -1.078
  275    HA   LYS  23           HA       LYS  23 -21.577  -4.742  -0.291
  276   1HB   LYS  23          2HB       LYS  23 -18.975  -4.911   1.228
  277   2HB   LYS  23          1HB       LYS  23 -20.434  -5.816   1.588
  278   1HG   LYS  23          2HG       LYS  23 -18.778  -6.062  -0.919
  279   2HG   LYS  23          1HG       LYS  23 -18.743  -7.172   0.441
  280   1HD   LYS  23          2HD       LYS  23 -21.180  -6.626  -1.269
  281   2HD   LYS  23          1HD       LYS  23 -20.070  -7.966  -1.512
  282   1HE   LYS  23          2HE       LYS  23 -20.603  -8.777   0.770
  283   2HE   LYS  23          1HE       LYS  23 -21.775  -7.469   0.932
  284   1HZ   LYS  23          1HZ       LYS  23 -22.968  -8.403  -0.984
  285   2HZ   LYS  23          3HZ       LYS  23 -21.876  -9.687  -1.053
  286   3HZ   LYS  23          2HZ       LYS  23 -22.875  -9.481   0.289
  287    QB   LYS  23           QB       LYS  23 -19.704  -5.364   1.408
  288    QD   LYS  23           QD       LYS  23 -20.625  -7.296  -1.390
  289    QG   LYS  23           QG       LYS  23 -18.761  -6.617  -0.239
  290    QE   LYS  23           QE       LYS  23 -21.189  -8.123   0.851
  291    QZ   LYS  23           QZ       LYS  23 -22.573  -9.190  -0.583
  292    H    TYR  24           H        TYR  24 -19.409  -2.228   0.957
  293    HA   TYR  24           HA       TYR  24 -21.220  -1.688   3.154
  294   1HB   TYR  24          2HB       TYR  24 -18.655  -0.356   2.292
  295   2HB   TYR  24          1HB       TYR  24 -19.627   0.218   3.651
  296    HD1  TYR  24          1HD       TYR  24 -16.678  -1.073   3.138
  297    HD2  TYR  24          2HD       TYR  24 -20.296  -2.342   4.978
  298    HE1  TYR  24          1HE       TYR  24 -15.405  -2.589   4.585
  299    HE2  TYR  24          2HE       TYR  24 -19.028  -3.862   6.429
  300    HH   TYR  24           HH       TYR  24 -16.874  -5.018   6.404
  301    QB   TYR  24           QB       TYR  24 -19.141  -0.069   2.971
  302    QD   TYR  24           QD       TYR  24 -18.487  -1.708   4.058
  303    QE   TYR  24           QE       TYR  24 -17.216  -3.226   5.507
  304    QR   TYR  24           QR       TYR  24 -17.852  -2.467   4.783
  305    H    GLY  25           H        GLY  25 -20.228  -0.119   0.149
  306   1HA   GLY  25          1HA       GLY  25 -22.272   1.915   0.607
  307   2HA   GLY  25          2HA       GLY  25 -22.249   0.984  -0.890
  308    QA   GLY  25           QA       GLY  25 -22.260   1.449  -0.142
  309    H    PHE  26           H        PHE  26 -21.800   2.716  -2.183
  310    HA   PHE  26           HA       PHE  26 -19.041   3.396  -2.398
  311   1HB   PHE  26          2HB       PHE  26 -21.445   4.450  -3.912
  312   2HB   PHE  26          1HB       PHE  26 -19.764   4.776  -4.326
  313    HD1  PHE  26          1HD       PHE  26 -22.459   2.347  -4.452
  314    HD2  PHE  26          2HD       PHE  26 -18.323   2.982  -5.169
  315    HE1  PHE  26          1HE       PHE  26 -22.387   0.291  -5.804
  316    HE2  PHE  26          2HE       PHE  26 -18.235   0.932  -6.524
  317    HZ   PHE  26           HZ       PHE  26 -20.270  -0.422  -6.840
  318    QB   PHE  26           QB       PHE  26 -20.605   4.613  -4.119
  319    QD   PHE  26           QD       PHE  26 -20.391   2.665  -4.811
  320    QE   PHE  26           QE       PHE  26 -20.311   0.612  -6.164
  321    QR   PHE  26           QR       PHE  26 -20.335   1.226  -5.758
  322    H    THR  27           H        THR  27 -18.018   5.110  -1.709
  323    HA   THR  27           HA       THR  27 -17.476   6.792  -0.379
  324    HB   THR  27           HB       THR  27 -20.251   7.932  -0.854
  325    HG1  THR  27          1HG       THR  27 -18.223   7.453  -2.559
  326   1HG2  THR  27          1HG2      THR  27 -17.595   9.257  -0.238
  327   2HG2  THR  27          3HG2      THR  27 -19.119  10.096  -0.520
  328   3HG2  THR  27          2HG2      THR  27 -18.929   9.061   0.897
  329    MG   THR  27           QG2      THR  27 -18.548   9.471   0.046
  330    H    HIS  28           H        HIS  28 -17.304   5.457   1.317
  331    HA   HIS  28           HA       HIS  28 -19.328   5.699   3.391
  332   1HB   HIS  28          2HB       HIS  28 -19.598   3.474   2.328
  333   2HB   HIS  28          1HB       HIS  28 -17.887   3.163   2.518
  334    HD1  HIS  28          1HD       HIS  28 -21.122   3.145   4.420
  335    HD2  HIS  28          2HD       HIS  28 -17.098   2.392   5.049
  336    HE1  HIS  28          1HE       HIS  28 -20.981   1.923   6.609
  337    QB   HIS  28           QB       HIS  28 -18.742   3.319   2.423
  338    H    HIS  29           H        HIS  29 -18.366   5.854   5.453
  339    HA   HIS  29           HA       HIS  29 -15.947   7.199   5.499
  340   1HB   HIS  29          2HB       HIS  29 -16.048   7.125   7.978
  341   2HB   HIS  29          1HB       HIS  29 -17.566   7.601   7.252
  342    HD1  HIS  29          1HD       HIS  29 -19.630   6.114   7.801
  343    HD2  HIS  29          2HD       HIS  29 -16.026   4.585   9.208
  344    HE1  HIS  29          1HE       HIS  29 -20.230   4.218   9.323
  345    QB   HIS  29           QB       HIS  29 -16.807   7.363   7.615
  346    H    LYS  30           H        LYS  30 -16.459   3.780   6.164
  347    HA   LYS  30           HA       LYS  30 -13.794   3.361   7.076
  348   1HB   LYS  30          2HB       LYS  30 -15.727   1.293   6.013
  349   2HB   LYS  30          1HB       LYS  30 -14.215   0.960   6.826
  350   1HG   LYS  30          2HG       LYS  30 -15.073   2.070   8.848
  351   2HG   LYS  30          1HG       LYS  30 -16.613   2.318   8.022
  352   1HD   LYS  30          2HD       LYS  30 -16.852  -0.103   7.750
  353   2HD   LYS  30          1HD       LYS  30 -15.319  -0.347   8.584
  354   1HE   LYS  30          2HE       LYS  30 -17.143  -0.719  10.124
  355   2HE   LYS  30          1HE       LYS  30 -16.269   0.739  10.586
  356   1HZ   LYS  30          3HZ       LYS  30 -18.824   0.649   9.077
  357   2HZ   LYS  30          2HZ       LYS  30 -18.684   0.976  10.703
  358   3HZ   LYS  30          1HZ       LYS  30 -18.052   2.067   9.574
  359    QB   LYS  30           QB       LYS  30 -14.971   1.126   6.419
  360    QD   LYS  30           QD       LYS  30 -16.085  -0.225   8.167
  361    QG   LYS  30           QG       LYS  30 -15.843   2.194   8.435
  362    QE   LYS  30           QE       LYS  30 -16.706   0.010  10.355
  363    QZ   LYS  30           QZ       LYS  30 -18.520   1.231   9.785
  364    H    VAL  31           H        VAL  31 -15.297   3.088   3.889
  365    HA   VAL  31           HA       VAL  31 -13.008   1.825   2.800
  366    HB   VAL  31           HB       VAL  31 -13.902   2.136   0.595
  367   1HG1  VAL  31          1HG1      VAL  31 -16.049   1.359   2.547
  368   2HG1  VAL  31          3HG1      VAL  31 -16.088   1.011   0.821
  369   3HG1  VAL  31          2HG1      VAL  31 -14.825   0.309   1.832
  370   1HG2  VAL  31          2HG2      VAL  31 -16.003   3.915   1.824
  371   2HG2  VAL  31          1HG2      VAL  31 -14.749   4.397   0.689
  372   3HG2  VAL  31          3HG2      VAL  31 -16.044   3.318   0.163
  373    MG1  VAL  31           QG1      VAL  31 -15.654   0.893   1.733
  374    MG2  VAL  31           QG2      VAL  31 -15.599   3.877   0.892
  375    QG   VAL  31           QQG      VAL  31 -15.626   2.385   1.312
  376    H    ILE  32           H        ILE  32 -13.960   5.099   3.166
  377    HA   ILE  32           HA       ILE  32 -11.970   6.313   1.591
  378    HB   ILE  32           HB       ILE  32 -13.268   7.345   4.143
  379   1HG1  ILE  32          2HG1      ILE  32 -13.939   7.902   1.243
  380   2HG1  ILE  32          1HG1      ILE  32 -14.848   6.833   2.303
  381   1HG2  ILE  32          2HG2      ILE  32 -11.722   8.863   2.036
  382   2HG2  ILE  32          1HG2      ILE  32 -12.599   9.589   3.382
  383   3HG2  ILE  32          3HG2      ILE  32 -11.202   8.559   3.694
  384   1HD1  ILE  32          2HD1      ILE  32 -15.417   8.748   3.719
  385   2HD1  ILE  32          1HD1      ILE  32 -14.503   9.807   2.644
  386   3HD1  ILE  32          3HD1      ILE  32 -15.948   8.982   2.055
  387    MG   ILE  32           QG2      ILE  32 -11.841   9.004   3.037
  388    MD   ILE  32           QD1      ILE  32 -15.289   9.179   2.806
  389    QG   ILE  32           QG1      ILE  32 -14.394   7.367   1.773
  390    H    SER  33           H        SER  33 -11.968   5.235   4.986
  391    HA   SER  33           HA       SER  33  -9.361   6.062   5.614
  392   1HB   SER  33          2HB       SER  33 -10.917   3.726   6.748
  393   2HB   SER  33          1HB       SER  33  -9.583   4.581   7.530
  394    HG   SER  33           HG       SER  33 -10.967   6.496   7.250
  395    QB   SER  33           QB       SER  33 -10.250   4.153   7.139
  396    H    PHE  34           H        PHE  34 -10.638   3.040   4.265
  397    HA   PHE  34           HA       PHE  34  -8.171   1.639   4.266
  398   1HB   PHE  34          2HB       PHE  34 -10.535   1.210   2.418
  399   2HB   PHE  34          1HB       PHE  34  -9.229   0.067   2.686
  400    HD1  PHE  34          1HD       PHE  34 -12.326  -0.174   3.008
  401    HD2  PHE  34          2HD       PHE  34  -9.133   0.455   5.751
  402    HE1  PHE  34          1HE       PHE  34 -13.677  -1.164   4.802
  403    HE2  PHE  34          2HE       PHE  34 -10.477  -0.541   7.546
  404    HZ   PHE  34           HZ       PHE  34 -12.754  -1.354   7.072
  405    QB   PHE  34           QB       PHE  34  -9.882   0.638   2.552
  406    QD   PHE  34           QD       PHE  34 -10.729   0.140   4.380
  407    QE   PHE  34           QE       PHE  34 -12.077  -0.853   6.174
  408    QR   PHE  34           QR       PHE  34 -11.673  -0.556   5.636
  409    H    SER  35           H        SER  35  -9.740   3.739   1.944
  410    HA   SER  35           HA       SER  35  -7.987   3.348  -0.203
  411   1HB   SER  35          2HB       SER  35 -10.221   4.395  -0.416
  412   2HB   SER  35          1HB       SER  35  -9.645   5.787   0.495
  413    HG   SER  35           HG       SER  35  -9.661   5.909  -1.857
  414    QB   SER  35           QB       SER  35  -9.933   5.091   0.039
  415    H    GLN  36           H        GLN  36  -7.936   5.669   2.450
  416    HA   GLN  36           HA       GLN  36  -5.667   7.058   1.560
  417   1HB   GLN  36          2HB       GLN  36  -6.834   6.745   4.322
  418   2HB   GLN  36          1HB       GLN  36  -5.485   7.813   3.959
  419   1HG   GLN  36          2HG       GLN  36  -6.844   9.073   2.420
  420   2HG   GLN  36          1HG       GLN  36  -8.191   7.966   2.658
  421   1HE2  GLN  36          1HE2      GLN  36  -9.474   9.653   3.300
  422   2HE2  GLN  36          2HE2      GLN  36  -9.361  10.395   4.856
  423    QB   GLN  36           QB       GLN  36  -6.159   7.279   4.140
  424    QG   GLN  36           QG       GLN  36  -7.517   8.520   2.539
  425    QE   GLN  36           QE2      GLN  36  -9.417  10.024   4.078
  426    H    GLU  37           H        GLU  37  -5.998   4.167   3.465
  427    HA   GLU  37           HA       GLU  37  -3.244   3.920   4.105
  428   1HB   GLU  37          2HB       GLU  37  -5.545   2.011   4.103
  429   2HB   GLU  37          1HB       GLU  37  -3.907   1.410   4.329
  430   1HG   GLU  37          2HG       GLU  37  -5.155   3.564   6.008
  431   2HG   GLU  37          1HG       GLU  37  -5.144   1.849   6.436
  432    QB   GLU  37           QB       GLU  37  -4.726   1.711   4.216
  433    QG   GLU  37           QG       GLU  37  -5.150   2.707   6.222
  434    H    LEU  38           H        LEU  38  -5.230   2.536   1.541
  435    HA   LEU  38           HA       LEU  38  -3.240   1.070   0.223
  436   1HB   LEU  38          2HB       LEU  38  -5.727   0.987  -0.198
  437   2HB   LEU  38          1HB       LEU  38  -5.602   2.521  -1.014
  438    HG   LEU  38           HG       LEU  38  -4.245  -0.014  -2.001
  439   1HD1  LEU  38          3HD1      LEU  38  -6.658  -0.309  -1.931
  440   2HD1  LEU  38          2HD1      LEU  38  -6.867   1.199  -2.828
  441   3HD1  LEU  38          1HD1      LEU  38  -6.074  -0.177  -3.589
  442   1HD2  LEU  38          1HD2      LEU  38  -3.294   2.081  -2.905
  443   2HD2  LEU  38          3HD2      LEU  38  -4.142   1.160  -4.146
  444   3HD2  LEU  38          2HD2      LEU  38  -4.904   2.579  -3.426
  445    MD1  LEU  38           QD1      LEU  38  -6.533   0.238  -2.783
  446    MD2  LEU  38           QD2      LEU  38  -4.113   1.940  -3.492
  447    QB   LEU  38           QB       LEU  38  -5.665   1.754  -0.606
  448    QD   LEU  38           QQD      LEU  38  -5.323   1.089  -3.138
  449    H    ASP  39           H        ASP  39  -4.255   4.398  -0.057
  450    HA   ASP  39           HA       ASP  39  -2.644   5.221  -2.207
  451   1HB   ASP  39          2HB       ASP  39  -4.577   6.481  -1.332
  452   2HB   ASP  39          1HB       ASP  39  -3.664   6.837   0.128
  453    QB   ASP  39           QB       ASP  39  -4.120   6.659  -0.602
  454    H    ARG  40           H        ARG  40  -2.083   5.176   1.266
  455    HA   ARG  40           HA       ARG  40   0.411   6.510   1.190
  456   1HB   ARG  40          2HB       ARG  40  -0.969   6.395   3.223
  457   2HB   ARG  40          1HB       ARG  40  -0.714   4.661   3.302
  458   1HG   ARG  40          2HG       ARG  40   1.669   5.013   3.645
  459   2HG   ARG  40          1HG       ARG  40   1.429   6.759   3.535
  460   1HD   ARG  40          2HD       ARG  40   1.594   6.032   5.864
  461   2HD   ARG  40          1HD       ARG  40   0.009   6.704   5.505
  462    HE   ARG  40           HE       ARG  40  -0.949   4.599   5.766
  463   1HH1  ARG  40          1HH1      ARG  40   2.596   4.327   6.051
  464   2HH1  ARG  40          2HH1      ARG  40   2.533   2.824   6.846
  465   1HH2  ARG  40          1HH2      ARG  40  -1.017   2.587   6.815
  466   2HH2  ARG  40          2HH2      ARG  40   0.417   1.796   7.285
  467    QB   ARG  40           QB       ARG  40  -0.841   5.528   3.262
  468    QG   ARG  40           QG       ARG  40   1.549   5.886   3.590
  469    QD   ARG  40           QD       ARG  40   0.802   6.368   5.685
  470    QH1  ARG  40           QH1      ARG  40   2.564   3.575   6.448
  471    QH2  ARG  40           QH2      ARG  40  -0.300   2.192   7.050
  472    H    LEU  41           H        LEU  41  -0.490   3.078   1.267
  473    HA   LEU  41           HA       LEU  41   2.191   2.169   1.238
  474   1HB   LEU  41          2HB       LEU  41  -0.421   0.800   0.671
  475   2HB   LEU  41          1HB       LEU  41   1.078  -0.004   0.279
  476    HG   LEU  41           HG       LEU  41   1.753   0.082   2.653
  477   1HD1  LEU  41          2HD1      LEU  41  -0.982   1.222   3.154
  478   2HD1  LEU  41          1HD1      LEU  41   0.139   0.655   4.389
  479   3HD1  LEU  41          3HD1      LEU  41   0.557   2.047   3.389
  480   1HD2  LEU  41          1HD2      LEU  41   0.636  -1.884   1.791
  481   2HD2  LEU  41          3HD2      LEU  41   0.172  -1.594   3.466
  482   3HD2  LEU  41          2HD2      LEU  41  -0.937  -1.175   2.159
  483    MD1  LEU  41           QD1      LEU  41  -0.095   1.308   3.644
  484    MD2  LEU  41           QD2      LEU  41  -0.043  -1.551   2.472
  485    QB   LEU  41           QB       LEU  41   0.329   0.398   0.475
  486    QD   LEU  41           QQD      LEU  41  -0.069  -0.121   3.058
  487    H    LEU  42           H        LEU  42  -0.098   2.908  -1.294
  488    HA   LEU  42           HA       LEU  42   1.385   2.064  -3.530
  489   1HB   LEU  42          2HB       LEU  42  -0.926   2.827  -3.692
  490   2HB   LEU  42          1HB       LEU  42  -0.449   4.436  -3.192
  491    HG   LEU  42           HG       LEU  42   0.952   4.562  -5.268
  492   1HD1  LEU  42          1HD1      LEU  42   1.169   2.221  -5.743
  493   2HD1  LEU  42          3HD1      LEU  42  -0.567   2.084  -6.029
  494   3HD1  LEU  42          2HD1      LEU  42   0.434   3.064  -7.103
  495   1HD2  LEU  42          3HD2      LEU  42  -2.034   4.256  -5.559
  496   2HD2  LEU  42          2HD2      LEU  42  -1.133   5.710  -5.112
  497   3HD2  LEU  42          1HD2      LEU  42  -0.965   5.042  -6.730
  498    MD1  LEU  42           QD1      LEU  42   0.345   2.456  -6.291
  499    MD2  LEU  42           QD2      LEU  42  -1.377   5.003  -5.800
  500    QB   LEU  42           QB       LEU  42  -0.687   3.632  -3.442
  501    QD   LEU  42           QQD      LEU  42  -0.516   3.730  -6.046
  502    H    ASN  43           H        ASN  43   1.386   5.024  -1.671
  503    HA   ASN  43           HA       ASN  43   3.225   6.458  -3.210
  504   1HB   ASN  43          2HB       ASN  43   1.723   7.402  -1.438
  505   2HB   ASN  43          1HB       ASN  43   2.806   6.716  -0.234
  506   1HD2  ASN  43          1HD2      ASN  43   3.696   8.205  -3.295
  507   2HD2  ASN  43          2HD2      ASN  43   4.570   9.520  -2.618
  508    QB   ASN  43           QB       ASN  43   2.264   7.059  -0.836
  509    QD   ASN  43           QD2      ASN  43   4.133   8.862  -2.956
  510    H    LEU  44           H        LEU  44   3.627   4.120  -0.624
  511    HA   LEU  44           HA       LEU  44   6.329   4.442  -0.048
  512   1HB   LEU  44          2HB       LEU  44   4.582   2.013  -0.032
  513   2HB   LEU  44          1HB       LEU  44   6.234   1.906   0.504
  514    HG   LEU  44           HG       LEU  44   4.042   3.583   1.753
  515   1HD1  LEU  44          3HD1      LEU  44   3.832   1.156   2.136
  516   2HD1  LEU  44          2HD1      LEU  44   5.481   1.129   2.757
  517   3HD1  LEU  44          1HD1      LEU  44   4.234   2.028   3.617
  518   1HD2  LEU  44          1HD2      LEU  44   6.923   3.198   2.571
  519   2HD2  LEU  44          3HD2      LEU  44   6.192   4.701   1.999
  520   3HD2  LEU  44          2HD2      LEU  44   5.691   3.999   3.535
  521    MD1  LEU  44           QD1      LEU  44   4.516   1.438   2.837
  522    MD2  LEU  44           QD2      LEU  44   6.269   3.966   2.702
  523    QB   LEU  44           QB       LEU  44   5.408   1.960   0.236
  524    QD   LEU  44           QQD      LEU  44   5.392   2.702   2.769
  525    H    LEU  45           H        LEU  45   4.832   2.558  -2.638
  526    HA   LEU  45           HA       LEU  45   7.182   1.351  -3.624
  527   1HB   LEU  45          2HB       LEU  45   4.742   2.221  -5.178
  528   2HB   LEU  45          1HB       LEU  45   5.983   1.144  -5.771
  529    HG   LEU  45           HG       LEU  45   4.069   0.570  -3.510
  530   1HD1  LEU  45          3HD1      LEU  45   4.246  -0.496  -6.326
  531   2HD1  LEU  45          2HD1      LEU  45   3.147  -1.086  -5.084
  532   3HD1  LEU  45          1HD1      LEU  45   2.998   0.566  -5.685
  533   1HD2  LEU  45          3HD2      LEU  45   6.185  -1.183  -4.780
  534   2HD2  LEU  45          2HD2      LEU  45   6.226  -0.529  -3.141
  535   3HD2  LEU  45          1HD2      LEU  45   4.995  -1.706  -3.587
  536    MD1  LEU  45           QD1      LEU  45   3.464  -0.339  -5.698
  537    MD2  LEU  45           QD2      LEU  45   5.802  -1.140  -3.836
  538    QB   LEU  45           QB       LEU  45   5.362   1.683  -5.474
  539    QD   LEU  45           QQD      LEU  45   4.633  -0.739  -4.767
  540    H    ILE  46           H        ILE  46   5.719   4.440  -4.239
  541    HA   ILE  46           HA       ILE  46   7.512   5.270  -6.311
  542    HB   ILE  46           HB       ILE  46   5.840   7.037  -4.501
  543   1HG1  ILE  46          2HG1      ILE  46   5.010   5.762  -7.118
  544   2HG1  ILE  46          1HG1      ILE  46   4.480   5.204  -5.537
  545   1HG2  ILE  46          1HG2      ILE  46   7.496   8.202  -5.884
  546   2HG2  ILE  46          3HG2      ILE  46   6.848   7.424  -7.330
  547   3HG2  ILE  46          2HG2      ILE  46   5.857   8.567  -6.424
  548   1HD1  ILE  46          3HD1      ILE  46   3.433   7.423  -5.180
  549   2HD1  ILE  46          2HD1      ILE  46   3.907   7.850  -6.824
  550   3HD1  ILE  46          1HD1      ILE  46   2.764   6.537  -6.554
  551    MG   ILE  46           QG2      ILE  46   6.734   8.064  -6.546
  552    MD   ILE  46           QD1      ILE  46   3.368   7.270  -6.186
  553    QG   ILE  46           QG1      ILE  46   4.745   5.483  -6.328
  554    H    GLU  47           H        GLU  47   7.112   6.035  -2.898
  555    HA   GLU  47           HA       GLU  47   9.116   7.903  -2.542
  556   1HB   GLU  47          2HB       GLU  47   7.324   7.421  -0.921
  557   2HB   GLU  47          1HB       GLU  47   8.098   5.884  -0.551
  558   1HG   GLU  47          2HG       GLU  47  10.087   7.088   0.175
  559   2HG   GLU  47          1HG       GLU  47   9.257   8.618  -0.084
  560    QB   GLU  47           QB       GLU  47   7.711   6.652  -0.736
  561    QG   GLU  47           QG       GLU  47   9.672   7.853   0.045
  562    H    LEU  48           H        LEU  48   9.227   4.418  -1.892
  563    HA   LEU  48           HA       LEU  48  11.854   4.427  -1.017
  564   1HB   LEU  48          2HB       LEU  48   9.985   2.288  -1.859
  565   2HB   LEU  48          1HB       LEU  48  11.676   1.877  -1.744
  566    HG   LEU  48           HG       LEU  48  10.527   1.243   0.288
  567   1HD1  LEU  48          2HD1      LEU  48  12.829   1.946   0.496
  568   2HD1  LEU  48          1HD1      LEU  48  12.328   3.610   0.772
  569   3HD1  LEU  48          3HD1      LEU  48  11.904   2.356   1.936
  570   1HD2  LEU  48          1HD2      LEU  48   8.684   2.855   0.249
  571   2HD2  LEU  48          3HD2      LEU  48   9.527   2.888   1.799
  572   3HD2  LEU  48          2HD2      LEU  48   9.815   4.159   0.608
  573    MD1  LEU  48           QD1      LEU  48  12.354   2.637   1.068
  574    MD2  LEU  48           QD2      LEU  48   9.342   3.301   0.885
  575    QB   LEU  48           QB       LEU  48  10.831   2.083  -1.801
  576    QD   LEU  48           QQD      LEU  48  10.848   2.969   0.977
  577    H    LYS  49           H        LYS  49  10.609   3.937  -4.272
  578    HA   LYS  49           HA       LYS  49  13.197   3.314  -5.284
  579   1HB   LYS  49          2HB       LYS  49  10.714   4.212  -6.738
  580   2HB   LYS  49          1HB       LYS  49  12.226   3.853  -7.554
  581   1HG   LYS  49          2HG       LYS  49  12.082   1.555  -6.468
  582   2HG   LYS  49          1HG       LYS  49  10.418   1.980  -6.062
  583   1HD   LYS  49          2HD       LYS  49  11.556   2.041  -8.860
  584   2HD   LYS  49          1HD       LYS  49  10.674   0.680  -8.180
  585   1HE   LYS  49          2HE       LYS  49   9.551   3.477  -8.474
  586   2HE   LYS  49          1HE       LYS  49   9.304   2.176  -9.638
  587   1HZ   LYS  49          1HZ       LYS  49   8.238   0.888  -7.857
  588   2HZ   LYS  49          3HZ       LYS  49   8.363   2.236  -6.813
  589   3HZ   LYS  49          2HZ       LYS  49   7.438   2.306  -8.222
  590    QB   LYS  49           QB       LYS  49  11.470   4.033  -7.146
  591    QD   LYS  49           QD       LYS  49  11.115   1.361  -8.520
  592    QG   LYS  49           QG       LYS  49  11.250   1.767  -6.265
  593    QE   LYS  49           QE       LYS  49   9.428   2.826  -9.056
  594    QZ   LYS  49           QZ       LYS  49   8.013   1.810  -7.631
  595    H    THR  50           H        THR  50  11.450   6.287  -4.823
  596    HA   THR  50           HA       THR  50  13.175   7.911  -6.325
  597    HB   THR  50           HB       THR  50  11.453   8.667  -3.945
  598    HG1  THR  50          1HG       THR  50   9.908   8.288  -5.296
  599   1HG2  THR  50          2HG2      THR  50  13.133  10.394  -4.514
  600   2HG2  THR  50          1HG2      THR  50  12.582  10.367  -6.190
  601   3HG2  THR  50          3HG2      THR  50  11.504  10.932  -4.912
  602    MG   THR  50           QG2      THR  50  12.406  10.564  -5.205
  603    H    LYS  51           H        LYS  51  13.263   6.870  -2.937
  604    HA   LYS  51           HA       LYS  51  15.626   8.457  -2.581
  605   1HB   LYS  51          2HB       LYS  51  15.617   7.488  -0.222
  606   2HB   LYS  51          1HB       LYS  51  14.228   8.467  -0.661
  607   1HG   LYS  51          2HG       LYS  51  12.968   6.362  -1.076
  608   2HG   LYS  51          1HG       LYS  51  14.356   5.461  -0.478
  609   1HD   LYS  51          2HD       LYS  51  12.623   5.759   1.256
  610   2HD   LYS  51          1HD       LYS  51  14.140   6.540   1.705
  611   1HE   LYS  51          2HE       LYS  51  13.273   8.692   1.162
  612   2HE   LYS  51          1HE       LYS  51  11.836   8.012   0.411
  613   1HZ   LYS  51          1HZ       LYS  51  12.520   7.779   3.295
  614   2HZ   LYS  51          3HZ       LYS  51  11.500   8.943   2.653
  615   3HZ   LYS  51          2HZ       LYS  51  11.033   7.344   2.573
  616    QB   LYS  51           QB       LYS  51  14.922   7.977  -0.441
  617    QD   LYS  51           QD       LYS  51  13.381   6.150   1.480
  618    QG   LYS  51           QG       LYS  51  13.662   5.912  -0.777
  619    QE   LYS  51           QE       LYS  51  12.554   8.352   0.786
  620    QZ   LYS  51           QZ       LYS  51  11.684   8.022   2.840
  621    H    LYS  52           H        LYS  52  14.920   4.958  -2.336
  622    HA   LYS  52           HA       LYS  52  16.228   3.179  -2.070
  623   1HB   LYS  52          2HB       LYS  52  17.371   2.483  -4.115
  624   2HB   LYS  52          1HB       LYS  52  15.792   3.174  -4.423
  625   1HG   LYS  52          2HG       LYS  52  16.818   5.229  -5.171
  626   2HG   LYS  52          1HG       LYS  52  18.420   4.584  -4.804
  627   1HD   LYS  52          2HD       LYS  52  17.992   2.739  -6.400
  628   2HD   LYS  52          1HD       LYS  52  16.441   3.472  -6.799
  629   1HE   LYS  52          2HE       LYS  52  17.578   5.459  -7.596
  630   2HE   LYS  52          1HE       LYS  52  19.138   4.754  -7.176
  631   1HZ   LYS  52          3HZ       LYS  52  18.684   2.976  -8.770
  632   2HZ   LYS  52          2HZ       LYS  52  17.237   3.712  -9.206
  633   3HZ   LYS  52          1HZ       LYS  52  18.700   4.480  -9.505
  634    QB   LYS  52           QB       LYS  52  16.582   2.829  -4.269
  635    QD   LYS  52           QD       LYS  52  17.216   3.106  -6.600
  636    QG   LYS  52           QG       LYS  52  17.619   4.906  -4.987
  637    QE   LYS  52           QE       LYS  52  18.358   5.106  -7.386
  638    QZ   LYS  52           QZ       LYS  52  18.207   3.723  -9.160
  639    H    LYS  53           H        LYS  53  17.794   5.800  -1.462
  640    HA   LYS  53           HA       LYS  53  20.489   4.843  -1.250
  641   1HB   LYS  53          2HB       LYS  53  20.831   7.067  -0.194
  642   2HB   LYS  53          1HB       LYS  53  20.085   7.116  -1.792
  643   1HG   LYS  53          2HG       LYS  53  17.869   7.458  -0.785
  644   2HG   LYS  53          1HG       LYS  53  18.586   7.404   0.822
  645   1HD   LYS  53          2HD       LYS  53  19.320   9.413  -1.302
  646   2HD   LYS  53          1HD       LYS  53  18.115   9.690  -0.046
  647   1HE   LYS  53          2HE       LYS  53  20.979   8.963   0.495
  648   2HE   LYS  53          1HE       LYS  53  20.384  10.629   0.449
  649   1HZ   LYS  53          1HZ       LYS  53  18.876  10.005   2.285
  650   2HZ   LYS  53          3HZ       LYS  53  19.593   8.477   2.356
  651   3HZ   LYS  53          2HZ       LYS  53  20.496   9.826   2.688
  652    QB   LYS  53           QB       LYS  53  20.458   7.092  -0.993
  653    QD   LYS  53           QD       LYS  53  18.717   9.552  -0.674
  654    QG   LYS  53           QG       LYS  53  18.228   7.431   0.018
  655    QE   LYS  53           QE       LYS  53  20.681   9.796   0.472
  656    QZ   LYS  53           QZ       LYS  53  19.655   9.436   2.443
  657    H    ARG  54           H        ARG  54  17.653   4.669   0.490
  658    HA   ARG  54           HA       ARG  54  18.896   4.394   3.040
  659   1HB   ARG  54          2HB       ARG  54  16.089   4.414   2.079
  660   2HB   ARG  54          1HB       ARG  54  16.402   3.425   3.494
  661   1HG   ARG  54          2HG       ARG  54  17.131   6.344   3.281
  662   2HG   ARG  54          1HG       ARG  54  15.647   5.735   4.023
  663   1HD   ARG  54          2HD       ARG  54  17.000   4.410   5.592
  664   2HD   ARG  54          1HD       ARG  54  18.471   5.073   4.893
  665    HE   ARG  54           HE       ARG  54  17.067   7.259   5.648
  666   1HH1  ARG  54          1HH1      ARG  54  18.120   4.342   7.372
  667   2HH1  ARG  54          2HH1      ARG  54  18.235   5.104   8.881
  668   1HH2  ARG  54          1HH2      ARG  54  17.291   8.314   7.715
  669   2HH2  ARG  54          2HH2      ARG  54  17.762   7.420   9.080
  670    QB   ARG  54           QB       ARG  54  16.245   3.920   2.786
  671    QG   ARG  54           QG       ARG  54  16.389   6.040   3.652
  672    QD   ARG  54           QD       ARG  54  17.735   4.741   5.242
  673    QH1  ARG  54           QH1      ARG  54  18.178   4.723   8.127
  674    QH2  ARG  54           QH2      ARG  54  17.527   7.867   8.398
  675    H    TYR  55           H        TYR  55  18.983   2.437   4.189
  676    HA   TYR  55           HA       TYR  55  19.807   0.322   2.475
  677   1HB   TYR  55          2HB       TYR  55  19.879   0.575   5.479
  678   2HB   TYR  55          1HB       TYR  55  20.651  -0.710   4.552
  679    HD1  TYR  55          1HD       TYR  55  22.549  -0.213   3.088
  680    HD2  TYR  55          2HD       TYR  55  20.836   2.783   5.554
  681    HE1  TYR  55          1HE       TYR  55  24.512   1.190   2.723
  682    HE2  TYR  55          2HE       TYR  55  22.819   4.215   5.200
  683    HH   TYR  55           HH       TYR  55  25.187   3.950   4.558
  684    QB   TYR  55           QB       TYR  55  20.265  -0.067   5.015
  685    QD   TYR  55           QD       TYR  55  21.693   1.285   4.321
  686    QE   TYR  55           QE       TYR  55  23.666   2.702   3.962
  687    QR   TYR  55           QR       TYR  55  22.679   1.994   4.141
  688    H    SER  56           H        SER  56  16.844   1.041   3.290
  689    HA   SER  56           HA       SER  56  15.871  -1.389   4.317
  690   1HB   SER  56          2HB       SER  56  13.680  -0.197   3.586
  691   2HB   SER  56          1HB       SER  56  14.650   0.505   4.889
  692    HG   SER  56           HG       SER  56  14.079   2.052   3.348
  693    QB   SER  56           QB       SER  56  14.165   0.154   4.238
  694    H    LEU  57           H        LEU  57  16.285   0.013   1.137
  695    HA   LEU  57           HA       LEU  57  14.975  -2.276  -0.145
  696   1HB   LEU  57          2HB       LEU  57  16.449   0.044  -1.379
  697   2HB   LEU  57          1HB       LEU  57  15.606  -1.202  -2.264
  698    HG   LEU  57           HG       LEU  57  14.401   0.930  -0.525
  699   1HD1  LEU  57          1HD1      LEU  57  15.176   1.575  -2.774
  700   2HD1  LEU  57          3HD1      LEU  57  14.145   0.329  -3.469
  701   3HD1  LEU  57          2HD1      LEU  57  13.433   1.692  -2.608
  702   1HD2  LEU  57          3HD2      LEU  57  13.069  -1.363  -1.967
  703   2HD2  LEU  57          2HD2      LEU  57  13.177  -1.144  -0.219
  704   3HD2  LEU  57          1HD2      LEU  57  12.232  -0.022  -1.184
  705    MD1  LEU  57           QD1      LEU  57  14.251   1.199  -2.950
  706    MD2  LEU  57           QD2      LEU  57  12.826  -0.843  -1.123
  707    QB   LEU  57           QB       LEU  57  16.027  -0.579  -1.822
  708    QD   LEU  57           QQD      LEU  57  13.539   0.178  -2.037
  709    H    LEU  58           H        LEU  58  18.046  -0.968   0.538
  710    HA   LEU  58           HA       LEU  58  19.526  -2.561  -1.300
  711   1HB   LEU  58          2HB       LEU  58  20.481  -0.993   1.076
  712   2HB   LEU  58          1HB       LEU  58  21.457  -1.590  -0.247
  713    HG   LEU  58           HG       LEU  58  19.286   0.477  -0.550
  714   1HD1  LEU  58          1HD1      LEU  58  21.121   1.304   0.826
  715   2HD1  LEU  58          3HD1      LEU  58  22.272   0.816  -0.422
  716   3HD1  LEU  58          2HD1      LEU  58  21.084   2.081  -0.753
  717   1HD2  LEU  58          1HD2      LEU  58  21.442  -0.476  -2.435
  718   2HD2  LEU  58          3HD2      LEU  58  19.712  -0.792  -2.590
  719   3HD2  LEU  58          2HD2      LEU  58  20.322   0.853  -2.741
  720    MD1  LEU  58           QD1      LEU  58  21.492   1.400  -0.116
  721    MD2  LEU  58           QD2      LEU  58  20.492  -0.138  -2.588
  722    QB   LEU  58           QB       LEU  58  20.969  -1.291   0.415
  723    QD   LEU  58           QQD      LEU  58  20.992   0.631  -1.352
  724    H    GLU  59           H        GLU  59  19.442  -2.474   2.279
  725    HA   GLU  59           HA       GLU  59  20.726  -5.095   2.275
  726   1HB   GLU  59          2HB       GLU  59  20.618  -3.005   4.454
  727   2HB   GLU  59          1HB       GLU  59  21.642  -4.427   4.394
  728   1HG   GLU  59          2HG       GLU  59  21.836  -2.048   2.573
  729   2HG   GLU  59          1HG       GLU  59  22.889  -2.366   3.954
  730    QB   GLU  59           QB       GLU  59  21.130  -3.716   4.424
  731    QG   GLU  59           QG       GLU  59  22.362  -2.207   3.263
  732    H    HIS  60           H        HIS  60  20.167  -5.616   4.869
  733    HA   HIS  60           HA       HIS  60  17.333  -6.148   4.877
  734   1HB   HIS  60          2HB       HIS  60  17.744  -7.403   6.945
  735   2HB   HIS  60          1HB       HIS  60  18.935  -7.873   5.749
  736    HD1  HIS  60          1HD       HIS  60  21.448  -7.307   6.326
  737    HD2  HIS  60          2HD       HIS  60  18.697  -6.063   9.182
  738    HE1  HIS  60          1HE       HIS  60  22.788  -6.677   8.374
  739    QB   HIS  60           QB       HIS  60  18.339  -7.638   6.347
  740    H    HIS  61           H        HIS  61  15.870  -5.170   6.300
  741    HA   HIS  61           HA       HIS  61  16.978  -2.790   7.562
  742   1HB   HIS  61          2HB       HIS  61  15.217  -2.406   5.811
  743   2HB   HIS  61          1HB       HIS  61  14.086  -3.277   6.836
  744    HD1  HIS  61          1HD       HIS  61  16.221  -0.095   6.970
  745    HD2  HIS  61          2HD       HIS  61  12.847  -1.785   8.701
  746    HE1  HIS  61          1HE       HIS  61  15.198   1.693   8.395
  747    QB   HIS  61           QB       HIS  61  14.652  -2.842   6.323
  748    H    HIS  62           H        HIS  62  17.582  -3.517   9.466
  749    HA   HIS  62           HA       HIS  62  15.455  -4.410  11.243
  750   1HB   HIS  62          2HB       HIS  62  16.846  -6.403  10.500
  751   2HB   HIS  62          1HB       HIS  62  18.239  -5.626  11.238
  752    HD1  HIS  62          1HD       HIS  62  15.465  -7.899  12.014
  753    HD2  HIS  62          2HD       HIS  62  17.959  -5.326  14.128
  754    HE1  HIS  62          1HE       HIS  62  15.251  -8.546  14.430
  755    QB   HIS  62           QB       HIS  62  17.543  -6.015  10.869
  756    H    HIS  63           H        HIS  63  15.328  -2.797  12.586
  757    HA   HIS  63           HA       HIS  63  17.603  -1.122  13.111
  758   1HB   HIS  63          2HB       HIS  63  15.249  -0.232  12.747
  759   2HB   HIS  63          1HB       HIS  63  14.835  -0.925  14.312
  760    HD1  HIS  63          1HD       HIS  63  15.666   0.363  16.428
  761    HD2  HIS  63          2HD       HIS  63  16.949   1.966  12.817
  762    HE1  HIS  63          1HE       HIS  63  16.664   2.611  16.969
  763    QB   HIS  63           QB       HIS  63  15.042  -0.579  13.529
  764    H    HIS  64           H        HIS  64  18.779  -1.210  14.969
  765    HA   HIS  64           HA       HIS  64  18.129  -3.288  16.863
  766   1HB   HIS  64          2HB       HIS  64  20.609  -1.614  16.438
  767   2HB   HIS  64          1HB       HIS  64  20.435  -2.890  17.630
  768    HD1  HIS  64          1HD       HIS  64  21.861  -2.360  14.419
  769    HD2  HIS  64          2HD       HIS  64  19.724  -5.466  16.161
  770    HE1  HIS  64          1HE       HIS  64  22.350  -4.415  13.036
  771    QB   HIS  64           QB       HIS  64  20.522  -2.252  17.034

  No H/Q in entry =         771
  Start of MODEL   14
    1    H1   MET   1          2HT       MET   1  12.632  -5.694   3.006
    2    H2   MET   1          1HT       MET   1  12.734  -6.904   4.191
    3    H3   MET   1          3HT       MET   1  13.434  -7.122   2.671
    4    HA   MET   1           HA       MET   1  11.473  -8.378   2.771
    5   1HB   MET   1          2HB       MET   1  10.295  -7.044   4.501
    6   2HB   MET   1          1HB       MET   1  10.088  -5.742   3.340
    7   1HG   MET   1          2HG       MET   1   8.638  -7.096   1.986
    8   2HG   MET   1          1HG       MET   1   8.948  -8.505   2.989
    9   1HE   MET   1          2HE       MET   1   8.359  -4.809   4.262
   10   2HE   MET   1          1HE       MET   1   7.276  -4.914   2.876
   11   3HE   MET   1          3HE       MET   1   6.613  -4.802   4.506
   12    QB   MET   1           QB       MET   1  10.191  -6.393   3.921
   13    QG   MET   1           QG       MET   1   8.793  -7.800   2.488
   14    ME   MET   1           QE       MET   1   7.416  -4.842   3.881
   15    H    ASN   2           H        ASN   2  11.017  -8.908   0.779
   16    HA   ASN   2           HA       ASN   2  11.823  -7.678  -1.549
   17   1HB   ASN   2          2HB       ASN   2   9.392  -9.447  -1.226
   18   2HB   ASN   2          1HB       ASN   2  10.224  -9.114  -2.729
   19   1HD2  ASN   2          1HD2      ASN   2  12.932  -9.425  -1.675
   20   2HD2  ASN   2          2HD2      ASN   2  13.073 -11.099  -1.325
   21    QB   ASN   2           QB       ASN   2   9.808  -9.280  -1.977
   22    QD   ASN   2           QD2      ASN   2  13.003 -10.262  -1.500
   23    H    VAL   3           H        VAL   3  11.059  -6.006  -2.782
   24    HA   VAL   3           HA       VAL   3   8.966  -4.371  -1.825
   25    HB   VAL   3           HB       VAL   3   9.226  -3.042  -3.908
   26   1HG1  VAL   3          3HG1      VAL   3  10.692  -2.612  -2.009
   27   2HG1  VAL   3          2HG1      VAL   3  11.829  -3.823  -2.609
   28   3HG1  VAL   3          1HG1      VAL   3  11.549  -2.352  -3.530
   29   1HG2  VAL   3          3HG2      VAL   3   9.694  -4.868  -5.474
   30   2HG2  VAL   3          2HG2      VAL   3  10.958  -3.638  -5.544
   31   3HG2  VAL   3          1HG2      VAL   3  11.245  -5.150  -4.685
   32    MG1  VAL   3           QG1      VAL   3  11.357  -2.929  -2.716
   33    MG2  VAL   3           QG2      VAL   3  10.633  -4.552  -5.235
   34    QG   VAL   3           QQG      VAL   3  10.995  -3.741  -3.975
   35    H    THR   4           H        THR   4   8.957  -7.029  -3.964
   36    HA   THR   4           HA       THR   4   6.528  -6.491  -5.271
   37    HB   THR   4           HB       THR   4   8.174  -8.250  -6.020
   38    HG1  THR   4          1HG       THR   4   6.546  -8.836  -7.113
   39   1HG2  THR   4          2HG2      THR   4   8.591  -9.272  -3.834
   40   2HG2  THR   4          1HG2      THR   4   6.945  -9.894  -3.807
   41   3HG2  THR   4          3HG2      THR   4   8.089 -10.479  -5.022
   42    MG   THR   4           QG2      THR   4   7.875  -9.882  -4.221
   43    H    LYS   5           H        LYS   5   7.271  -7.586  -2.073
   44    HA   LYS   5           HA       LYS   5   4.725  -8.719  -1.462
   45   1HB   LYS   5          2HB       LYS   5   7.020  -7.791   0.249
   46   2HB   LYS   5          1HB       LYS   5   5.543  -8.474   0.915
   47   1HG   LYS   5          2HG       LYS   5   5.948 -10.551  -0.262
   48   2HG   LYS   5          1HG       LYS   5   7.379  -9.868  -1.015
   49   1HD   LYS   5          2HD       LYS   5   8.551  -9.800   1.018
   50   2HD   LYS   5          1HD       LYS   5   7.080 -10.016   1.973
   51   1HE   LYS   5          2HE       LYS   5   8.195 -12.079   0.086
   52   2HE   LYS   5          1HE       LYS   5   8.524 -12.056   1.818
   53   1HZ   LYS   5          1HZ       LYS   5   5.793 -12.257   0.625
   54   2HZ   LYS   5          3HZ       LYS   5   6.696 -13.547   1.183
   55   3HZ   LYS   5          2HZ       LYS   5   6.186 -12.375   2.264
   56    QB   LYS   5           QB       LYS   5   6.282  -8.132   0.582
   57    QD   LYS   5           QD       LYS   5   7.815  -9.908   1.496
   58    QG   LYS   5           QG       LYS   5   6.663 -10.210  -0.639
   59    QE   LYS   5           QE       LYS   5   8.359 -12.068   0.952
   60    QZ   LYS   5           QZ       LYS   5   6.225 -12.726   1.358
   61    H    LEU   6           H        LEU   6   6.228  -5.578  -1.158
   62    HA   LEU   6           HA       LEU   6   4.179  -4.384   0.368
   63   1HB   LEU   6          2HB       LEU   6   6.479  -3.457   0.064
   64   2HB   LEU   6          1HB       LEU   6   6.050  -3.098  -1.604
   65    HG   LEU   6           HG       LEU   6   4.370  -1.484  -0.837
   66   1HD1  LEU   6          1HD1      LEU   6   5.346  -2.186   1.933
   67   2HD1  LEU   6          3HD1      LEU   6   4.266  -0.855   1.531
   68   3HD1  LEU   6          2HD1      LEU   6   3.741  -2.514   1.271
   69   1HD2  LEU   6          3HD2      LEU   6   7.085  -1.078   0.405
   70   2HD2  LEU   6          2HD2      LEU   6   6.647  -0.726  -1.266
   71   3HD2  LEU   6          1HD2      LEU   6   5.910   0.187   0.050
   72    MD1  LEU   6           QD1      LEU   6   4.451  -1.852   1.578
   73    MD2  LEU   6           QD2      LEU   6   6.548  -0.539  -0.270
   74    QB   LEU   6           QB       LEU   6   6.264  -3.278  -0.770
   75    QD   LEU   6           QQD      LEU   6   5.499  -1.195   0.654
   76    H    ASN   7           H        ASN   7   4.861  -4.548  -3.085
   77    HA   ASN   7           HA       ASN   7   2.572  -3.138  -3.931
   78   1HB   ASN   7          2HB       ASN   7   4.549  -3.585  -5.404
   79   2HB   ASN   7          1HB       ASN   7   4.052  -5.272  -5.499
   80   1HD2  ASN   7          1HD2      ASN   7   3.675  -5.258  -7.718
   81   2HD2  ASN   7          2HD2      ASN   7   2.393  -4.350  -8.428
   82    QB   ASN   7           QB       ASN   7   4.300  -4.428  -5.451
   83    QD   ASN   7           QD2      ASN   7   3.034  -4.804  -8.073
   84    H    ASP   8           H        ASP   8   3.147  -6.459  -3.111
   85    HA   ASP   8           HA       ASP   8   0.826  -7.676  -4.128
   86   1HB   ASP   8          2HB       ASP   8   2.745  -8.967  -3.277
   87   2HB   ASP   8          1HB       ASP   8   2.401  -8.395  -1.651
   88    QB   ASP   8           QB       ASP   8   2.573  -8.681  -2.464
   89    H    ARG   9           H        ARG   9   1.507  -6.087  -1.084
   90    HA   ARG   9           HA       ARG   9  -0.971  -6.532   0.173
   91   1HB   ARG   9          2HB       ARG   9   0.936  -4.202   0.501
   92   2HB   ARG   9          1HB       ARG   9  -0.398  -4.574   1.583
   93   1HG   ARG   9          2HG       ARG   9   0.640  -6.676   2.178
   94   2HG   ARG   9          1HG       ARG   9   1.955  -6.365   1.045
   95   1HD   ARG   9          2HD       ARG   9   2.664  -5.842   3.293
   96   2HD   ARG   9          1HD       ARG   9   2.566  -4.369   2.336
   97    HE   ARG   9           HE       ARG   9   0.356  -4.016   3.470
   98   1HH1  ARG   9          1HH1      ARG   9   2.841  -6.004   5.058
   99   2HH1  ARG   9          2HH1      ARG   9   2.349  -5.599   6.630
  100   1HH2  ARG   9          1HH2      ARG   9  -0.273  -3.435   5.651
  101   2HH2  ARG   9          2HH2      ARG   9   0.554  -4.106   6.975
  102    QB   ARG   9           QB       ARG   9   0.269  -4.388   1.042
  103    QG   ARG   9           QG       ARG   9   1.298  -6.521   1.611
  104    QD   ARG   9           QD       ARG   9   2.615  -5.106   2.815
  105    QH1  ARG   9           QH1      ARG   9   2.595  -5.802   5.844
  106    QH2  ARG   9           QH2      ARG   9   0.141  -3.770   6.313
  107    H    ILE  10           H        ILE  10   0.190  -3.966  -1.936
  108    HA   ILE  10           HA       ILE  10  -2.069  -2.308  -1.930
  109    HB   ILE  10           HB       ILE  10  -0.200  -2.874  -4.250
  110   1HG1  ILE  10          2HG1      ILE  10  -0.076  -0.710  -2.149
  111   2HG1  ILE  10          1HG1      ILE  10   0.967  -2.127  -2.201
  112   1HG2  ILE  10          2HG2      ILE  10  -2.264  -1.768  -4.961
  113   2HG2  ILE  10          1HG2      ILE  10  -2.030  -0.517  -3.749
  114   3HG2  ILE  10          3HG2      ILE  10  -0.895  -0.661  -5.094
  115   1HD1  ILE  10          2HD1      ILE  10   1.866  -1.344  -4.345
  116   2HD1  ILE  10          1HD1      ILE  10   0.838   0.085  -4.233
  117   3HD1  ILE  10          3HD1      ILE  10   2.113  -0.180  -3.043
  118    MG   ILE  10           QG2      ILE  10  -1.730  -0.982  -4.601
  119    MD   ILE  10           QD1      ILE  10   1.606  -0.480  -3.874
  120    QG   ILE  10           QG1      ILE  10   0.445  -1.418  -2.175
  121    H    GLU  11           H        GLU  11  -1.151  -4.888  -4.157
  122    HA   GLU  11           HA       GLU  11  -3.408  -4.930  -5.755
  123   1HB   GLU  11          2HB       GLU  11  -1.567  -7.178  -4.979
  124   2HB   GLU  11          1HB       GLU  11  -2.794  -7.308  -6.231
  125   1HG   GLU  11          2HG       GLU  11  -0.481  -5.378  -6.219
  126   2HG   GLU  11          1HG       GLU  11  -0.582  -6.862  -7.169
  127    QB   GLU  11           QB       GLU  11  -2.180  -7.243  -5.605
  128    QG   GLU  11           QG       GLU  11  -0.531  -6.120  -6.694
  129    H    ALA  12           H        ALA  12  -2.864  -6.627  -2.725
  130    HA   ALA  12           HA       ALA  12  -5.335  -8.033  -2.814
  131   1HB   ALA  12          2HB       ALA  12  -3.418  -8.846  -1.512
  132   2HB   ALA  12          3HB       ALA  12  -4.860  -8.659  -0.511
  133   3HB   ALA  12          1HB       ALA  12  -3.569  -7.460  -0.430
  134    MB   ALA  12           QB       ALA  12  -3.949  -8.322  -0.817
  135    H    LYS  13           H        LYS  13  -4.374  -4.883  -1.535
  136    HA   LYS  13           HA       LYS  13  -6.891  -4.617  -0.193
  137   1HB   LYS  13          2HB       LYS  13  -4.818  -2.487  -0.759
  138   2HB   LYS  13          1HB       LYS  13  -6.246  -2.252   0.243
  139   1HG   LYS  13          2HG       LYS  13  -3.833  -3.961   0.795
  140   2HG   LYS  13          1HG       LYS  13  -4.457  -2.612   1.742
  141   1HD   LYS  13          2HD       LYS  13  -6.469  -3.959   2.274
  142   2HD   LYS  13          1HD       LYS  13  -5.778  -5.296   1.358
  143   1HE   LYS  13          2HE       LYS  13  -5.328  -5.754   3.617
  144   2HE   LYS  13          1HE       LYS  13  -3.811  -5.204   2.912
  145   1HZ   LYS  13          3HZ       LYS  13  -4.324  -2.949   3.910
  146   2HZ   LYS  13          2HZ       LYS  13  -5.661  -3.672   4.617
  147   3HZ   LYS  13          1HZ       LYS  13  -4.143  -4.193   5.046
  148    QB   LYS  13           QB       LYS  13  -5.532  -2.370  -0.258
  149    QD   LYS  13           QD       LYS  13  -6.124  -4.628   1.816
  150    QG   LYS  13           QG       LYS  13  -4.145  -3.287   1.269
  151    QE   LYS  13           QE       LYS  13  -4.569  -5.479   3.264
  152    QZ   LYS  13           QZ       LYS  13  -4.709  -3.605   4.524
  153    H    LYS  14           H        LYS  14  -5.623  -3.742  -3.271
  154    HA   LYS  14           HA       LYS  14  -7.673  -2.070  -4.174
  155   1HB   LYS  14          2HB       LYS  14  -5.917  -4.010  -5.692
  156   2HB   LYS  14          1HB       LYS  14  -7.006  -2.866  -6.478
  157   1HG   LYS  14          2HG       LYS  14  -5.789  -1.000  -5.644
  158   2HG   LYS  14          1HG       LYS  14  -4.911  -2.042  -4.526
  159   1HD   LYS  14          2HD       LYS  14  -3.531  -1.305  -6.419
  160   2HD   LYS  14          1HD       LYS  14  -3.683  -3.051  -6.340
  161   1HE   LYS  14          2HE       LYS  14  -5.364  -2.942  -8.108
  162   2HE   LYS  14          1HE       LYS  14  -5.172  -1.174  -8.127
  163   1HZ   LYS  14          3HZ       LYS  14  -2.937  -3.050  -8.596
  164   2HZ   LYS  14          2HZ       LYS  14  -3.842  -2.414  -9.870
  165   3HZ   LYS  14          1HZ       LYS  14  -2.946  -1.395  -8.871
  166    QB   LYS  14           QB       LYS  14  -6.461  -3.438  -6.085
  167    QD   LYS  14           QD       LYS  14  -3.607  -2.178  -6.379
  168    QG   LYS  14           QG       LYS  14  -5.350  -1.521  -5.085
  169    QE   LYS  14           QE       LYS  14  -5.268  -2.058  -8.118
  170    QZ   LYS  14           QZ       LYS  14  -3.242  -2.286  -9.112
  171    H    LYS  15           H        LYS  15  -7.410  -5.605  -4.323
  172    HA   LYS  15           HA       LYS  15  -9.931  -5.916  -5.604
  173   1HB   LYS  15          2HB       LYS  15  -9.610  -8.298  -5.382
  174   2HB   LYS  15          1HB       LYS  15  -8.077  -7.559  -5.761
  175   1HG   LYS  15          2HG       LYS  15  -7.555  -9.175  -4.228
  176   2HG   LYS  15          1HG       LYS  15  -7.559  -7.691  -3.282
  177   1HD   LYS  15          2HD       LYS  15  -8.668  -9.368  -1.991
  178   2HD   LYS  15          1HD       LYS  15  -9.886  -8.251  -2.560
  179   1HE   LYS  15          2HE       LYS  15 -10.693 -10.552  -2.793
  180   2HE   LYS  15          1HE       LYS  15 -10.519  -9.795  -4.365
  181   1HZ   LYS  15          3HZ       LYS  15  -8.367 -10.975  -4.593
  182   2HZ   LYS  15          2HZ       LYS  15  -8.644 -11.735  -3.124
  183   3HZ   LYS  15          1HZ       LYS  15  -9.673 -12.024  -4.417
  184    QB   LYS  15           QB       LYS  15  -8.843  -7.928  -5.572
  185    QD   LYS  15           QD       LYS  15  -9.277  -8.810  -2.276
  186    QG   LYS  15           QG       LYS  15  -7.557  -8.433  -3.755
  187    QE   LYS  15           QE       LYS  15 -10.606 -10.174  -3.579
  188    QZ   LYS  15           QZ       LYS  15  -8.895 -11.578  -4.045
  189    H    GLU  16           H        GLU  16  -9.002  -5.455  -2.375
  190    HA   GLU  16           HA       GLU  16 -11.310  -6.638  -1.150
  191   1HB   GLU  16          2HB       GLU  16  -9.121  -6.534   0.008
  192   2HB   GLU  16          1HB       GLU  16  -9.174  -4.783  -0.063
  193   1HG   GLU  16          2HG       GLU  16 -11.050  -4.736   1.438
  194   2HG   GLU  16          1HG       GLU  16 -11.151  -6.492   1.427
  195    QB   GLU  16           QB       GLU  16  -9.148  -5.659  -0.028
  196    QG   GLU  16           QG       GLU  16 -11.100  -5.614   1.432
  197    H    LEU  17           H        LEU  17 -10.052  -3.463  -1.873
  198    HA   LEU  17           HA       LEU  17 -12.127  -1.934  -0.935
  199   1HB   LEU  17          2HB       LEU  17 -10.041  -1.584  -2.979
  200   2HB   LEU  17          1HB       LEU  17 -11.304  -0.387  -2.889
  201    HG   LEU  17           HG       LEU  17  -9.472  -1.187  -0.611
  202   1HD1  LEU  17          2HD1      LEU  17  -8.297   0.013  -2.380
  203   2HD1  LEU  17          1HD1      LEU  17  -9.501   1.307  -2.300
  204   3HD1  LEU  17          3HD1      LEU  17  -8.458   0.979  -0.914
  205   1HD2  LEU  17          1HD2      LEU  17 -11.590   0.950  -0.835
  206   2HD2  LEU  17          3HD2      LEU  17 -11.598  -0.434   0.265
  207   3HD2  LEU  17          2HD2      LEU  17 -10.406   0.852   0.456
  208    MD1  LEU  17           QD1      LEU  17  -8.752   0.766  -1.865
  209    MD2  LEU  17           QD2      LEU  17 -11.198   0.456  -0.038
  210    QB   LEU  17           QB       LEU  17 -10.673  -0.986  -2.934
  211    QD   LEU  17           QQD      LEU  17  -9.975   0.611  -0.951
  212    H    ILE  18           H        ILE  18 -11.741  -3.352  -4.147
  213    HA   ILE  18           HA       ILE  18 -14.022  -2.246  -5.329
  214    HB   ILE  18           HB       ILE  18 -12.870  -5.017  -5.802
  215   1HG1  ILE  18          2HG1      ILE  18 -12.354  -2.426  -7.261
  216   2HG1  ILE  18          1HG1      ILE  18 -11.270  -3.118  -6.064
  217   1HG2  ILE  18          3HG2      ILE  18 -15.139  -4.780  -6.722
  218   2HG2  ILE  18          2HG2      ILE  18 -14.641  -3.315  -7.572
  219   3HG2  ILE  18          1HG2      ILE  18 -13.936  -4.869  -8.010
  220   1HD1  ILE  18          1HD1      ILE  18 -10.956  -5.075  -7.508
  221   2HD1  ILE  18          3HD1      ILE  18 -12.033  -4.351  -8.703
  222   3HD1  ILE  18          2HD1      ILE  18 -10.498  -3.577  -8.315
  223    MG   ILE  18           QG2      ILE  18 -14.572  -4.321  -7.434
  224    MD   ILE  18           QD1      ILE  18 -11.162  -4.334  -8.175
  225    QG   ILE  18           QG1      ILE  18 -11.812  -2.772  -6.663
  226    H    TYR  19           H        TYR  19 -13.663  -5.197  -3.443
  227    HA   TYR  19           HA       TYR  19 -16.349  -6.012  -3.533
  228   1HB   TYR  19          2HB       TYR  19 -14.669  -7.612  -2.944
  229   2HB   TYR  19          1HB       TYR  19 -14.080  -6.607  -1.630
  230    HD1  TYR  19          1HD       TYR  19 -16.976  -8.659  -2.722
  231    HD2  TYR  19          2HD       TYR  19 -14.946  -6.814   0.523
  232    HE1  TYR  19          1HE       TYR  19 -18.461  -9.811  -1.137
  233    HE2  TYR  19          2HE       TYR  19 -16.413  -7.951   2.104
  234    HH   TYR  19           HH       TYR  19 -18.474 -10.481   1.180
  235    QB   TYR  19           QB       TYR  19 -14.374  -7.109  -2.287
  236    QD   TYR  19           QD       TYR  19 -15.961  -7.736  -1.099
  237    QE   TYR  19           QE       TYR  19 -17.437  -8.881   0.484
  238    QR   TYR  19           QR       TYR  19 -16.699  -8.309  -0.308
  239    H    LEU  20           H        LEU  20 -14.537  -4.135  -1.143
  240    HA   LEU  20           HA       LEU  20 -16.629  -3.843   0.711
  241   1HB   LEU  20          2HB       LEU  20 -14.186  -2.132   0.300
  242   2HB   LEU  20          1HB       LEU  20 -15.245  -2.049   1.692
  243    HG   LEU  20           HG       LEU  20 -13.600  -4.459   0.910
  244   1HD1  LEU  20          3HD1      LEU  20 -13.202  -2.405   3.051
  245   2HD1  LEU  20          2HD1      LEU  20 -12.272  -3.895   2.882
  246   3HD1  LEU  20          1HD1      LEU  20 -12.198  -2.653   1.625
  247   1HD2  LEU  20          3HD2      LEU  20 -15.647  -5.066   2.121
  248   2HD2  LEU  20          2HD2      LEU  20 -14.210  -5.320   3.109
  249   3HD2  LEU  20          1HD2      LEU  20 -15.229  -3.907   3.384
  250    MD1  LEU  20           QD1      LEU  20 -12.557  -2.984   2.519
  251    MD2  LEU  20           QD2      LEU  20 -15.029  -4.764   2.871
  252    QB   LEU  20           QB       LEU  20 -14.716  -2.091   0.996
  253    QD   LEU  20           QQD      LEU  20 -13.793  -3.874   2.695
  254    H    VAL  21           H        VAL  21 -15.550  -1.716  -1.913
  255    HA   VAL  21           HA       VAL  21 -17.289   0.414  -1.448
  256    HB   VAL  21           HB       VAL  21 -16.292  -0.658  -4.123
  257   1HG1  VAL  21          1HG1      VAL  21 -17.613   1.985  -3.508
  258   2HG1  VAL  21          3HG1      VAL  21 -16.876   1.541  -5.049
  259   3HG1  VAL  21          2HG1      VAL  21 -18.298   0.675  -4.475
  260   1HG2  VAL  21          1HG2      VAL  21 -14.528   0.150  -2.609
  261   2HG2  VAL  21          3HG2      VAL  21 -14.699   1.160  -4.040
  262   3HG2  VAL  21          2HG2      VAL  21 -15.358   1.708  -2.503
  263    MG1  VAL  21           QG1      VAL  21 -17.596   1.400  -4.344
  264    MG2  VAL  21           QG2      VAL  21 -14.861   1.006  -3.051
  265    QG   VAL  21           QQG      VAL  21 -16.229   1.203  -3.697
  266    H    GLU  22           H        GLU  22 -17.855  -2.598  -3.192
  267    HA   GLU  22           HA       GLU  22 -20.455  -1.866  -3.971
  268   1HB   GLU  22          2HB       GLU  22 -19.102  -4.538  -3.901
  269   2HB   GLU  22          1HB       GLU  22 -20.740  -4.307  -4.496
  270   1HG   GLU  22          2HG       GLU  22 -18.228  -3.066  -5.583
  271   2HG   GLU  22          1HG       GLU  22 -19.215  -4.306  -6.355
  272    QB   GLU  22           QB       GLU  22 -19.921  -4.422  -4.199
  273    QG   GLU  22           QG       GLU  22 -18.721  -3.686  -5.969
  274    H    LYS  23           H        LYS  23 -19.298  -3.691  -1.135
  275    HA   LYS  23           HA       LYS  23 -21.938  -4.299  -0.412
  276   1HB   LYS  23          2HB       LYS  23 -20.103  -5.819   0.084
  277   2HB   LYS  23          1HB       LYS  23 -19.342  -4.602   1.101
  278   1HG   LYS  23          2HG       LYS  23 -21.048  -4.689   2.642
  279   2HG   LYS  23          1HG       LYS  23 -22.071  -5.626   1.540
  280   1HD   LYS  23          2HD       LYS  23 -21.181  -7.107   3.315
  281   2HD   LYS  23          1HD       LYS  23 -20.522  -7.543   1.746
  282   1HE   LYS  23          2HE       LYS  23 -18.442  -6.419   2.271
  283   2HE   LYS  23          1HE       LYS  23 -19.107  -5.850   3.804
  284   1HZ   LYS  23          2HZ       LYS  23 -18.670  -8.717   3.079
  285   2HZ   LYS  23          1HZ       LYS  23 -17.679  -7.808   4.079
  286   3HZ   LYS  23          3HZ       LYS  23 -19.248  -8.143   4.561
  287    QB   LYS  23           QB       LYS  23 -19.722  -5.211   0.592
  288    QD   LYS  23           QD       LYS  23 -20.852  -7.325   2.531
  289    QG   LYS  23           QG       LYS  23 -21.560  -5.157   2.091
  290    QE   LYS  23           QE       LYS  23 -18.774  -6.134   3.037
  291    QZ   LYS  23           QZ       LYS  23 -18.532  -8.223   3.907
  292    H    TYR  24           H        TYR  24 -19.539  -1.903   0.702
  293    HA   TYR  24           HA       TYR  24 -21.450  -0.965   2.699
  294   1HB   TYR  24          2HB       TYR  24 -18.560  -0.255   2.240
  295   2HB   TYR  24          1HB       TYR  24 -19.574   0.502   3.458
  296    HD1  TYR  24          1HD       TYR  24 -20.254  -0.730   5.447
  297    HD2  TYR  24          2HD       TYR  24 -17.775  -2.519   2.502
  298    HE1  TYR  24          1HE       TYR  24 -19.659  -2.505   7.041
  299    HE2  TYR  24          2HE       TYR  24 -17.176  -4.290   4.068
  300    HH   TYR  24           HH       TYR  24 -18.814  -4.756   7.051
  301    QB   TYR  24           QB       TYR  24 -19.067   0.124   2.849
  302    QD   TYR  24           QD       TYR  24 -19.014  -1.625   3.975
  303    QE   TYR  24           QE       TYR  24 -18.417  -3.398   5.554
  304    QR   TYR  24           QR       TYR  24 -18.716  -2.511   4.765
  305    H    GLY  25           H        GLY  25 -19.843   0.220  -0.213
  306   1HA   GLY  25          1HA       GLY  25 -21.521   2.627  -0.003
  307   2HA   GLY  25          2HA       GLY  25 -21.157   1.812  -1.523
  308    QA   GLY  25           QA       GLY  25 -21.339   2.220  -0.763
  309    H    PHE  26           H        PHE  26 -20.478   4.122  -1.971
  310    HA   PHE  26           HA       PHE  26 -17.596   4.241  -1.915
  311   1HB   PHE  26          2HB       PHE  26 -19.662   6.153  -3.014
  312   2HB   PHE  26          1HB       PHE  26 -17.934   6.401  -3.153
  313    HD1  PHE  26          1HD       PHE  26 -16.638   5.129  -4.730
  314    HD2  PHE  26          2HD       PHE  26 -20.803   4.452  -4.291
  315    HE1  PHE  26          1HE       PHE  26 -16.652   3.902  -6.862
  316    HE2  PHE  26          2HE       PHE  26 -20.833   3.215  -6.414
  317    HZ   PHE  26           HZ       PHE  26 -18.753   2.936  -7.704
  318    QB   PHE  26           QB       PHE  26 -18.798   6.277  -3.084
  319    QD   PHE  26           QD       PHE  26 -18.720   4.791  -4.511
  320    QE   PHE  26           QE       PHE  26 -18.743   3.558  -6.638
  321    QR   PHE  26           QR       PHE  26 -18.736   3.927  -6.000
  322    H    THR  27           H        THR  27 -20.262   5.843  -0.301
  323    HA   THR  27           HA       THR  27 -18.681   8.024   0.670
  324    HB   THR  27           HB       THR  27 -20.866   8.577   1.783
  325    HG1  THR  27          1HG       THR  27 -22.088   6.920   1.933
  326   1HG2  THR  27          3HG2      THR  27 -20.910   8.043  -1.194
  327   2HG2  THR  27          2HG2      THR  27 -21.985   9.145  -0.337
  328   3HG2  THR  27          1HG2      THR  27 -20.255   9.485  -0.422
  329    MG   THR  27           QG2      THR  27 -21.050   8.891  -0.651
  330    H    HIS  28           H        HIS  28 -19.004   4.896   1.623
  331    HA   HIS  28           HA       HIS  28 -19.456   5.279   4.426
  332   1HB   HIS  28          2HB       HIS  28 -20.029   3.222   2.970
  333   2HB   HIS  28          1HB       HIS  28 -18.334   2.792   3.153
  334    HD1  HIS  28          1HD       HIS  28 -21.462   3.306   5.223
  335    HD2  HIS  28          2HD       HIS  28 -17.708   1.570   5.489
  336    HE1  HIS  28          1HE       HIS  28 -21.472   1.986   7.340
  337    QB   HIS  28           QB       HIS  28 -19.181   3.007   3.061
  338    H    HIS  29           H        HIS  29 -17.983   5.707   5.930
  339    HA   HIS  29           HA       HIS  29 -15.522   6.769   5.180
  340   1HB   HIS  29          2HB       HIS  29 -16.872   7.428   7.204
  341   2HB   HIS  29          1HB       HIS  29 -16.281   5.978   7.996
  342    HD1  HIS  29          1HD       HIS  29 -15.316   9.473   7.159
  343    HD2  HIS  29          2HD       HIS  29 -13.508   6.044   8.663
  344    HE1  HIS  29          1HE       HIS  29 -13.131  10.210   8.134
  345    QB   HIS  29           QB       HIS  29 -16.577   6.703   7.600
  346    H    LYS  30           H        LYS  30 -16.256   3.572   6.441
  347    HA   LYS  30           HA       LYS  30 -13.633   2.748   7.028
  348   1HB   LYS  30          2HB       LYS  30 -15.856   1.022   5.902
  349   2HB   LYS  30          1HB       LYS  30 -14.358   0.417   6.558
  350   1HG   LYS  30          2HG       LYS  30 -16.504   1.875   8.092
  351   2HG   LYS  30          1HG       LYS  30 -16.128   0.156   8.164
  352   1HD   LYS  30          2HD       LYS  30 -13.850   0.749   8.973
  353   2HD   LYS  30          1HD       LYS  30 -14.363   2.435   9.037
  354   1HE   LYS  30          2HE       LYS  30 -15.558   0.143  10.575
  355   2HE   LYS  30          1HE       LYS  30 -14.509   1.391  11.229
  356   1HZ   LYS  30          2HZ       LYS  30 -17.237   1.850  10.108
  357   2HZ   LYS  30          1HZ       LYS  30 -16.831   1.814  11.722
  358   3HZ   LYS  30          3HZ       LYS  30 -16.212   3.037  10.757
  359    QB   LYS  30           QB       LYS  30 -15.107   0.719   6.230
  360    QD   LYS  30           QD       LYS  30 -14.106   1.592   9.005
  361    QG   LYS  30           QG       LYS  30 -16.316   1.016   8.128
  362    QE   LYS  30           QE       LYS  30 -15.034   0.767  10.902
  363    QZ   LYS  30           QZ       LYS  30 -16.760   2.234  10.862
  364    H    VAL  31           H        VAL  31 -15.401   2.688   3.998
  365    HA   VAL  31           HA       VAL  31 -13.472   1.361   2.437
  366    HB   VAL  31           HB       VAL  31 -15.617   3.348   1.615
  367   1HG1  VAL  31          3HG1      VAL  31 -13.919   3.089  -0.131
  368   2HG1  VAL  31          2HG1      VAL  31 -14.128   1.338  -0.073
  369   3HG1  VAL  31          1HG1      VAL  31 -15.461   2.371  -0.600
  370   1HG2  VAL  31          1HG2      VAL  31 -16.523   1.413   2.780
  371   2HG2  VAL  31          3HG2      VAL  31 -16.944   1.360   1.068
  372   3HG2  VAL  31          2HG2      VAL  31 -15.654   0.332   1.693
  373    MG1  VAL  31           QG1      VAL  31 -14.503   2.266  -0.268
  374    MG2  VAL  31           QG2      VAL  31 -16.373   1.035   1.847
  375    QG   VAL  31           QQG      VAL  31 -15.438   1.650   0.790
  376    H    ILE  32           H        ILE  32 -14.094   4.729   3.121
  377    HA   ILE  32           HA       ILE  32 -12.153   5.947   1.483
  378    HB   ILE  32           HB       ILE  32 -13.045   6.849   4.230
  379   1HG1  ILE  32          2HG1      ILE  32 -14.988   6.393   2.815
  380   2HG1  ILE  32          1HG1      ILE  32 -14.793   8.101   3.173
  381   1HG2  ILE  32          1HG2      ILE  32 -11.124   8.078   3.402
  382   2HG2  ILE  32          3HG2      ILE  32 -11.972   8.430   1.895
  383   3HG2  ILE  32          2HG2      ILE  32 -12.557   9.107   3.414
  384   1HD1  ILE  32          1HD1      ILE  32 -13.878   8.438   0.905
  385   2HD1  ILE  32          3HD1      ILE  32 -14.084   6.717   0.580
  386   3HD1  ILE  32          2HD1      ILE  32 -15.495   7.734   0.855
  387    MG   ILE  32           QG2      ILE  32 -11.884   8.539   2.904
  388    MD   ILE  32           QD1      ILE  32 -14.486   7.630   0.780
  389    QG   ILE  32           QG1      ILE  32 -14.890   7.247   2.994
  390    H    SER  33           H        SER  33 -12.099   5.019   4.852
  391    HA   SER  33           HA       SER  33  -9.489   5.580   5.561
  392   1HB   SER  33          2HB       SER  33 -11.244   4.922   7.157
  393   2HB   SER  33          1HB       SER  33 -11.208   3.285   6.517
  394    HG   SER  33           HG       SER  33  -9.161   4.670   7.875
  395    QB   SER  33           QB       SER  33 -11.226   4.103   6.837
  396    H    PHE  34           H        PHE  34 -10.693   2.454   4.256
  397    HA   PHE  34           HA       PHE  34  -8.151   1.219   4.233
  398   1HB   PHE  34          2HB       PHE  34 -10.534   0.613   2.464
  399   2HB   PHE  34          1HB       PHE  34  -9.132  -0.429   2.654
  400    HD1  PHE  34          1HD       PHE  34 -12.371  -0.219   3.390
  401    HD2  PHE  34          2HD       PHE  34  -8.698  -0.722   5.427
  402    HE1  PHE  34          1HE       PHE  34 -13.559  -1.339   5.217
  403    HE2  PHE  34          2HE       PHE  34  -9.871  -1.856   7.280
  404    HZ   PHE  34           HZ       PHE  34 -12.308  -2.164   7.180
  405    QB   PHE  34           QB       PHE  34  -9.833   0.092   2.559
  406    QD   PHE  34           QD       PHE  34 -10.535  -0.471   4.408
  407    QE   PHE  34           QE       PHE  34 -11.715  -1.597   6.249
  408    QR   PHE  34           QR       PHE  34 -11.361  -1.260   5.699
  409    H    SER  35           H        SER  35  -9.821   3.205   1.924
  410    HA   SER  35           HA       SER  35  -8.026   2.860  -0.220
  411   1HB   SER  35          2HB       SER  35 -10.371   3.617  -0.491
  412   2HB   SER  35          1HB       SER  35  -9.974   5.117   0.332
  413    HG   SER  35           HG       SER  35  -9.686   5.716  -1.623
  414    QB   SER  35           QB       SER  35 -10.172   4.367  -0.079
  415    H    GLN  36           H        GLN  36  -8.080   5.040   2.542
  416    HA   GLN  36           HA       GLN  36  -6.062   6.821   1.682
  417   1HB   GLN  36          2HB       GLN  36  -6.740   5.933   4.493
  418   2HB   GLN  36          1HB       GLN  36  -5.685   7.278   4.097
  419   1HG   GLN  36          2HG       GLN  36  -8.622   7.068   3.493
  420   2HG   GLN  36          1HG       GLN  36  -7.875   8.063   4.739
  421   1HE2  GLN  36          1HE2      GLN  36  -8.529   7.719   1.365
  422   2HE2  GLN  36          2HE2      GLN  36  -8.023   9.300   0.909
  423    QB   GLN  36           QB       GLN  36  -6.212   6.606   4.295
  424    QG   GLN  36           QG       GLN  36  -8.249   7.565   4.116
  425    QE   GLN  36           QE2      GLN  36  -8.276   8.510   1.137
  426    H    GLU  37           H        GLU  37  -5.972   3.755   3.376
  427    HA   GLU  37           HA       GLU  37  -3.176   3.628   3.807
  428   1HB   GLU  37          2HB       GLU  37  -4.808   2.176   4.968
  429   2HB   GLU  37          1HB       GLU  37  -5.148   1.372   3.442
  430   1HG   GLU  37          2HG       GLU  37  -2.724   0.734   3.354
  431   2HG   GLU  37          1HG       GLU  37  -2.583   1.328   5.005
  432    QB   GLU  37           QB       GLU  37  -4.978   1.774   4.205
  433    QG   GLU  37           QG       GLU  37  -2.654   1.031   4.179
  434    H    LEU  38           H        LEU  38  -5.296   2.485   1.244
  435    HA   LEU  38           HA       LEU  38  -3.510   1.066  -0.333
  436   1HB   LEU  38          2HB       LEU  38  -6.000   1.144  -0.581
  437   2HB   LEU  38          1HB       LEU  38  -5.861   2.752  -1.235
  438    HG   LEU  38           HG       LEU  38  -6.320   0.924  -2.904
  439   1HD1  LEU  38          2HD1      LEU  38  -3.794   2.486  -3.395
  440   2HD1  LEU  38          1HD1      LEU  38  -4.783   1.696  -4.623
  441   3HD1  LEU  38          3HD1      LEU  38  -5.441   3.041  -3.692
  442   1HD2  LEU  38          1HD2      LEU  38  -3.510   0.132  -2.201
  443   2HD2  LEU  38          3HD2      LEU  38  -4.982  -0.837  -2.033
  444   3HD2  LEU  38          2HD2      LEU  38  -4.373  -0.396  -3.634
  445    MD1  LEU  38           QD1      LEU  38  -4.673   2.408  -3.903
  446    MD2  LEU  38           QD2      LEU  38  -4.288  -0.367  -2.623
  447    QB   LEU  38           QB       LEU  38  -5.930   1.948  -0.908
  448    QD   LEU  38           QQD      LEU  38  -4.480   1.021  -3.263
  449    H    ASP  39           H        ASP  39  -4.447   4.457  -0.589
  450    HA   ASP  39           HA       ASP  39  -2.688   5.188  -2.636
  451   1HB   ASP  39          2HB       ASP  39  -4.541   6.608  -2.080
  452   2HB   ASP  39          1HB       ASP  39  -3.965   6.808  -0.433
  453    QB   ASP  39           QB       ASP  39  -4.253   6.708  -1.257
  454    H    ARG  40           H        ARG  40  -2.234   5.022   0.823
  455    HA   ARG  40           HA       ARG  40   0.277   6.336   0.971
  456   1HB   ARG  40          2HB       ARG  40  -1.209   5.967   2.901
  457   2HB   ARG  40          1HB       ARG  40  -0.936   4.245   2.772
  458   1HG   ARG  40          2HG       ARG  40   1.401   4.537   3.359
  459   2HG   ARG  40          1HG       ARG  40   1.182   6.290   3.414
  460   1HD   ARG  40          2HD       ARG  40  -0.201   4.263   5.162
  461   2HD   ARG  40          1HD       ARG  40   1.081   5.372   5.655
  462    HE   ARG  40           HE       ARG  40  -0.532   7.173   4.962
  463   1HH1  ARG  40          1HH1      ARG  40  -1.619   4.084   6.353
  464   2HH1  ARG  40          2HH1      ARG  40  -3.088   4.683   6.933
  465   1HH2  ARG  40          1HH2      ARG  40  -2.588   8.017   5.755
  466   2HH2  ARG  40          2HH2      ARG  40  -3.687   7.020   6.555
  467    QB   ARG  40           QB       ARG  40  -1.073   5.106   2.836
  468    QG   ARG  40           QG       ARG  40   1.291   5.414   3.387
  469    QD   ARG  40           QD       ARG  40   0.440   4.817   5.409
  470    QH1  ARG  40           QH1      ARG  40  -2.354   4.384   6.643
  471    QH2  ARG  40           QH2      ARG  40  -3.137   7.519   6.155
  472    H    LEU  41           H        LEU  41  -0.659   2.933   0.721
  473    HA   LEU  41           HA       LEU  41   1.889   1.779   0.778
  474   1HB   LEU  41          2HB       LEU  41  -0.575   0.844  -0.682
  475   2HB   LEU  41          1HB       LEU  41   0.851  -0.125  -0.374
  476    HG   LEU  41           HG       LEU  41  -0.985   0.979   1.747
  477   1HD1  LEU  41          1HD1      LEU  41  -2.065  -0.722   0.361
  478   2HD1  LEU  41          3HD1      LEU  41  -0.721  -1.822   0.660
  479   3HD1  LEU  41          2HD1      LEU  41  -1.764  -1.308   1.990
  480   1HD2  LEU  41          2HD2      LEU  41   1.319  -0.968   1.910
  481   2HD2  LEU  41          1HD2      LEU  41   1.309   0.680   2.538
  482   3HD2  LEU  41          3HD2      LEU  41   0.238  -0.537   3.236
  483    MD1  LEU  41           QD1      LEU  41  -1.517  -1.284   1.004
  484    MD2  LEU  41           QD2      LEU  41   0.955  -0.275   2.561
  485    QB   LEU  41           QB       LEU  41   0.138   0.360  -0.528
  486    QD   LEU  41           QQD      LEU  41  -0.281  -0.780   1.783
  487    H    LEU  42           H        LEU  42  -0.070   2.929  -1.906
  488    HA   LEU  42           HA       LEU  42   1.684   2.257  -4.008
  489   1HB   LEU  42          2HB       LEU  42  -0.613   2.894  -4.417
  490   2HB   LEU  42          1HB       LEU  42  -0.324   4.496  -3.763
  491    HG   LEU  42           HG       LEU  42   1.306   4.847  -5.651
  492   1HD1  LEU  42          1HD1      LEU  42   1.710   2.548  -6.243
  493   2HD1  LEU  42          3HD1      LEU  42   0.029   2.358  -6.745
  494   3HD1  LEU  42          2HD1      LEU  42   1.100   3.453  -7.623
  495   1HD2  LEU  42          1HD2      LEU  42  -1.596   4.388  -6.342
  496   2HD2  LEU  42          3HD2      LEU  42  -0.886   5.856  -5.664
  497   3HD2  LEU  42          2HD2      LEU  42  -0.453   5.340  -7.292
  498    MD1  LEU  42           QD1      LEU  42   0.946   2.786  -6.871
  499    MD2  LEU  42           QD2      LEU  42  -0.978   5.195  -6.433
  500    QB   LEU  42           QB       LEU  42  -0.468   3.695  -4.090
  501    QD   LEU  42           QQD      LEU  42  -0.016   3.991  -6.652
  502    H    ASN  43           H        ASN  43   1.376   5.105  -1.982
  503    HA   ASN  43           HA       ASN  43   3.218   6.738  -3.313
  504   1HB   ASN  43          2HB       ASN  43   1.505   7.520  -1.683
  505   2HB   ASN  43          1HB       ASN  43   2.469   6.815  -0.392
  506   1HD2  ASN  43          1HD2      ASN  43   2.307   9.252  -2.809
  507   2HD2  ASN  43          2HD2      ASN  43   3.525  10.295  -2.155
  508    QB   ASN  43           QB       ASN  43   1.987   7.167  -1.038
  509    QD   ASN  43           QD2      ASN  43   2.916   9.773  -2.482
  510    H    LEU  44           H        LEU  44   3.599   4.263  -0.917
  511    HA   LEU  44           HA       LEU  44   6.230   4.785  -0.090
  512   1HB   LEU  44          2HB       LEU  44   4.778   2.169  -0.374
  513   2HB   LEU  44          1HB       LEU  44   6.331   2.336   0.414
  514    HG   LEU  44           HG       LEU  44   3.778   3.660   1.330
  515   1HD1  LEU  44          2HD1      LEU  44   3.727   1.224   1.552
  516   2HD1  LEU  44          1HD1      LEU  44   5.249   1.274   2.436
  517   3HD1  LEU  44          3HD1      LEU  44   3.801   2.016   3.122
  518   1HD2  LEU  44          3HD2      LEU  44   6.507   3.456   2.599
  519   2HD2  LEU  44          2HD2      LEU  44   5.764   4.923   1.954
  520   3HD2  LEU  44          1HD2      LEU  44   5.067   4.131   3.362
  521    MD1  LEU  44           QD1      LEU  44   4.259   1.505   2.370
  522    MD2  LEU  44           QD2      LEU  44   5.779   4.170   2.638
  523    QB   LEU  44           QB       LEU  44   5.554   2.253   0.020
  524    QD   LEU  44           QQD      LEU  44   5.019   2.837   2.504
  525    H    LEU  45           H        LEU  45   5.028   2.787  -2.781
  526    HA   LEU  45           HA       LEU  45   7.555   1.925  -3.703
  527   1HB   LEU  45          2HB       LEU  45   5.017   2.393  -5.275
  528   2HB   LEU  45          1HB       LEU  45   6.422   1.542  -5.872
  529    HG   LEU  45           HG       LEU  45   4.674   0.638  -3.584
  530   1HD1  LEU  45          3HD1      LEU  45   4.904  -0.327  -6.430
  531   2HD1  LEU  45          2HD1      LEU  45   3.951  -1.099  -5.158
  532   3HD1  LEU  45          1HD1      LEU  45   3.531   0.519  -5.715
  533   1HD2  LEU  45          1HD2      LEU  45   7.005  -0.110  -3.357
  534   2HD2  LEU  45          3HD2      LEU  45   5.933  -1.454  -3.742
  535   3HD2  LEU  45          2HD2      LEU  45   6.957  -0.752  -4.997
  536    MD1  LEU  45           QD1      LEU  45   4.129  -0.302  -5.768
  537    MD2  LEU  45           QD2      LEU  45   6.632  -0.772  -4.032
  538    QB   LEU  45           QB       LEU  45   5.720   1.967  -5.574
  539    QD   LEU  45           QQD      LEU  45   5.380  -0.537  -4.900
  540    H    ILE  46           H        ILE  46   5.547   4.656  -4.495
  541    HA   ILE  46           HA       ILE  46   7.134   5.771  -6.519
  542    HB   ILE  46           HB       ILE  46   5.211   7.158  -4.617
  543   1HG1  ILE  46          2HG1      ILE  46   4.764   6.066  -7.407
  544   2HG1  ILE  46          1HG1      ILE  46   4.245   5.278  -5.926
  545   1HG2  ILE  46          1HG2      ILE  46   6.699   8.767  -5.726
  546   2HG2  ILE  46          3HG2      ILE  46   6.282   8.081  -7.295
  547   3HG2  ILE  46          2HG2      ILE  46   5.052   8.906  -6.338
  548   1HD1  ILE  46          1HD1      ILE  46   3.299   7.949  -6.930
  549   2HD1  ILE  46          3HD1      ILE  46   2.410   6.429  -7.021
  550   3HD1  ILE  46          2HD1      ILE  46   2.759   7.158  -5.451
  551    MG   ILE  46           QG2      ILE  46   6.011   8.585  -6.453
  552    MD   ILE  46           QD1      ILE  46   2.823   7.178  -6.467
  553    QG   ILE  46           QG1      ILE  46   4.504   5.672  -6.667
  554    H    GLU  47           H        GLU  47   7.155   6.204  -3.017
  555    HA   GLU  47           HA       GLU  47   9.031   8.294  -2.910
  556   1HB   GLU  47          2HB       GLU  47   7.552   7.564  -1.018
  557   2HB   GLU  47          1HB       GLU  47   8.578   6.151  -0.823
  558   1HG   GLU  47          2HG       GLU  47  10.490   7.644  -0.400
  559   2HG   GLU  47          1HG       GLU  47   9.399   9.025  -0.480
  560    QB   GLU  47           QB       GLU  47   8.065   6.857  -0.920
  561    QG   GLU  47           QG       GLU  47   9.944   8.335  -0.440
  562    H    LEU  48           H        LEU  48   9.498   4.759  -2.692
  563    HA   LEU  48           HA       LEU  48  12.305   4.906  -2.430
  564   1HB   LEU  48          2HB       LEU  48  10.492   2.699  -3.352
  565   2HB   LEU  48          1HB       LEU  48  12.213   2.527  -3.564
  566    HG   LEU  48           HG       LEU  48  11.541   1.335  -1.604
  567   1HD1  LEU  48          1HD1      LEU  48  13.702   2.371  -1.487
  568   2HD1  LEU  48          3HD1      LEU  48  12.999   3.831  -0.785
  569   3HD1  LEU  48          2HD1      LEU  48  12.952   2.313   0.104
  570   1HD2  LEU  48          2HD2      LEU  48  10.391   3.922  -0.568
  571   2HD2  LEU  48          1HD2      LEU  48   9.477   2.497  -1.053
  572   3HD2  LEU  48          3HD2      LEU  48  10.535   2.426   0.357
  573    MD1  LEU  48           QD1      LEU  48  13.218   2.839  -0.723
  574    MD2  LEU  48           QD2      LEU  48  10.135   2.948  -0.422
  575    QB   LEU  48           QB       LEU  48  11.352   2.613  -3.458
  576    QD   LEU  48           QQD      LEU  48  11.676   2.893  -0.572
  577    H    LYS  49           H        LYS  49  10.269   4.805  -5.260
  578    HA   LYS  49           HA       LYS  49  12.395   4.587  -7.138
  579   1HB   LYS  49          2HB       LYS  49   9.549   5.537  -7.498
  580   2HB   LYS  49          1HB       LYS  49  10.676   5.261  -8.815
  581   1HG   LYS  49          2HG       LYS  49  10.807   2.916  -8.288
  582   2HG   LYS  49          1HG       LYS  49   9.825   3.149  -6.845
  583   1HD   LYS  49          2HD       LYS  49   8.471   2.198  -8.625
  584   2HD   LYS  49          1HD       LYS  49   7.934   3.841  -8.283
  585   1HE   LYS  49          2HE       LYS  49   9.150   4.660 -10.223
  586   2HE   LYS  49          1HE       LYS  49   9.768   3.037 -10.538
  587   1HZ   LYS  49          3HZ       LYS  49   7.471   2.310 -10.906
  588   2HZ   LYS  49          2HZ       LYS  49   6.910   3.873 -10.651
  589   3HZ   LYS  49          1HZ       LYS  49   7.901   3.537 -11.956
  590    QB   LYS  49           QB       LYS  49  10.113   5.399  -8.157
  591    QD   LYS  49           QD       LYS  49   8.202   3.020  -8.454
  592    QG   LYS  49           QG       LYS  49  10.316   3.033  -7.567
  593    QE   LYS  49           QE       LYS  49   9.459   3.848 -10.381
  594    QZ   LYS  49           QZ       LYS  49   7.427   3.240 -11.171
  595    H    THR  50           H        THR  50  10.804   7.332  -5.632
  596    HA   THR  50           HA       THR  50  12.065   9.199  -7.389
  597    HB   THR  50           HB       THR  50  11.166  10.924  -5.689
  598    HG1  THR  50          1HG       THR  50   9.577   8.780  -4.828
  599   1HG2  THR  50          2HG2      THR  50   9.282   9.017  -7.033
  600   2HG2  THR  50          1HG2      THR  50   8.878  10.660  -6.515
  601   3HG2  THR  50          3HG2      THR  50  10.066  10.403  -7.804
  602    MG   THR  50           QG2      THR  50   9.409  10.027  -7.117
  603    H    LYS  51           H        LYS  51  12.675   8.011  -4.152
  604    HA   LYS  51           HA       LYS  51  14.830   9.729  -3.597
  605   1HB   LYS  51          2HB       LYS  51  14.098   6.999  -2.547
  606   2HB   LYS  51          1HB       LYS  51  15.502   7.884  -1.977
  607   1HG   LYS  51          2HG       LYS  51  14.119   9.651  -1.125
  608   2HG   LYS  51          1HG       LYS  51  12.680   8.920  -1.840
  609   1HD   LYS  51          2HD       LYS  51  12.778   7.070  -0.362
  610   2HD   LYS  51          1HD       LYS  51  14.393   7.503   0.198
  611   1HE   LYS  51          2HE       LYS  51  13.503   9.509   1.251
  612   2HE   LYS  51          1HE       LYS  51  11.893   9.137   0.639
  613   1HZ   LYS  51          1HZ       LYS  51  13.408   7.340   2.432
  614   2HZ   LYS  51          3HZ       LYS  51  12.344   8.500   3.002
  615   3HZ   LYS  51          2HZ       LYS  51  11.743   7.260   2.052
  616    QB   LYS  51           QB       LYS  51  14.800   7.441  -2.262
  617    QD   LYS  51           QD       LYS  51  13.586   7.286  -0.082
  618    QG   LYS  51           QG       LYS  51  13.399   9.285  -1.482
  619    QE   LYS  51           QE       LYS  51  12.698   9.323   0.945
  620    QZ   LYS  51           QZ       LYS  51  12.498   7.700   2.495
  621    H    LYS  52           H        LYS  52  14.600   6.549  -5.077
  622    HA   LYS  52           HA       LYS  52  15.952   5.207  -6.267
  623   1HB   LYS  52          2HB       LYS  52  17.135   6.144  -8.145
  624   2HB   LYS  52          1HB       LYS  52  15.598   6.967  -7.933
  625   1HG   LYS  52          2HG       LYS  52  16.615   8.922  -7.186
  626   2HG   LYS  52          1HG       LYS  52  18.141   8.118  -6.828
  627   1HD   LYS  52          2HD       LYS  52  18.310   9.467  -8.894
  628   2HD   LYS  52          1HD       LYS  52  18.473   7.748  -9.251
  629   1HE   LYS  52          2HE       LYS  52  16.070   7.699  -9.888
  630   2HE   LYS  52          1HE       LYS  52  16.007   9.438  -9.619
  631   1HZ   LYS  52          3HZ       LYS  52  17.659   9.721 -11.345
  632   2HZ   LYS  52          2HZ       LYS  52  17.727   8.058 -11.584
  633   3HZ   LYS  52          1HZ       LYS  52  16.309   8.902 -11.939
  634    QB   LYS  52           QB       LYS  52  16.366   6.556  -8.039
  635    QD   LYS  52           QD       LYS  52  18.391   8.608  -9.073
  636    QG   LYS  52           QG       LYS  52  17.378   8.520  -7.007
  637    QE   LYS  52           QE       LYS  52  16.038   8.568  -9.754
  638    QZ   LYS  52           QZ       LYS  52  17.232   8.894 -11.622
  639    H    LYS  53           H        LYS  53  17.105   6.331  -3.750
  640    HA   LYS  53           HA       LYS  53  19.881   6.329  -4.234
  641   1HB   LYS  53          2HB       LYS  53  20.113   6.544  -1.743
  642   2HB   LYS  53          1HB       LYS  53  19.113   7.711  -2.615
  643   1HG   LYS  53          2HG       LYS  53  18.086   7.177  -0.472
  644   2HG   LYS  53          1HG       LYS  53  17.077   6.605  -1.798
  645   1HD   LYS  53          2HD       LYS  53  17.793   4.343  -1.436
  646   2HD   LYS  53          1HD       LYS  53  19.010   4.856  -0.273
  647   1HE   LYS  53          2HE       LYS  53  16.024   5.177   0.075
  648   2HE   LYS  53          1HE       LYS  53  16.976   3.874   0.774
  649   1HZ   LYS  53          2HZ       LYS  53  18.249   5.554   2.004
  650   2HZ   LYS  53          1HZ       LYS  53  17.247   6.777   1.402
  651   3HZ   LYS  53          3HZ       LYS  53  16.629   5.571   2.408
  652    QB   LYS  53           QB       LYS  53  19.613   7.128  -2.179
  653    QD   LYS  53           QD       LYS  53  18.401   4.599  -0.855
  654    QG   LYS  53           QG       LYS  53  17.581   6.891  -1.135
  655    QE   LYS  53           QE       LYS  53  16.500   4.525   0.425
  656    QZ   LYS  53           QZ       LYS  53  17.375   5.967   1.938
  657    H    ARG  54           H        ARG  54  17.764   3.890  -4.021
  658    HA   ARG  54           HA       ARG  54  19.887   1.938  -3.551
  659   1HB   ARG  54          2HB       ARG  54  16.936   1.553  -4.171
  660   2HB   ARG  54          1HB       ARG  54  18.088   0.246  -3.977
  661   1HG   ARG  54          2HG       ARG  54  18.412   0.947  -1.624
  662   2HG   ARG  54          1HG       ARG  54  17.150   2.166  -1.856
  663   1HD   ARG  54          2HD       ARG  54  15.566   0.410  -2.484
  664   2HD   ARG  54          1HD       ARG  54  16.820  -0.801  -2.253
  665    HE   ARG  54           HE       ARG  54  16.455   0.730   0.090
  666   1HH1  ARG  54          1HH1      ARG  54  15.053  -1.954  -1.793
  667   2HH1  ARG  54          2HH1      ARG  54  14.202  -2.609  -0.493
  668   1HH2  ARG  54          1HH2      ARG  54  15.242  -0.183   1.894
  669   2HH2  ARG  54          2HH2      ARG  54  14.308  -1.579   1.662
  670    QB   ARG  54           QB       ARG  54  17.512   0.899  -4.074
  671    QG   ARG  54           QG       ARG  54  17.781   1.556  -1.740
  672    QD   ARG  54           QD       ARG  54  16.193  -0.196  -2.369
  673    QH1  ARG  54           QH1      ARG  54  14.627  -2.281  -1.143
  674    QH2  ARG  54           QH2      ARG  54  14.775  -0.881   1.778
  675    H    TYR  55           H        TYR  55  21.057   1.631  -5.303
  676    HA   TYR  55           HA       TYR  55  20.211   2.804  -7.797
  677   1HB   TYR  55          2HB       TYR  55  22.804   1.434  -7.100
  678   2HB   TYR  55          1HB       TYR  55  22.504   2.475  -8.494
  679    HD1  TYR  55          1HD       TYR  55  21.666   4.863  -7.964
  680    HD2  TYR  55          2HD       TYR  55  23.629   2.367  -5.166
  681    HE1  TYR  55          1HE       TYR  55  22.242   6.849  -6.617
  682    HE2  TYR  55          2HE       TYR  55  24.219   4.338  -3.797
  683    HH   TYR  55           HH       TYR  55  24.566   6.777  -4.275
  684    QB   TYR  55           QB       TYR  55  22.654   1.954  -7.797
  685    QD   TYR  55           QD       TYR  55  22.647   3.615  -6.565
  686    QE   TYR  55           QE       TYR  55  23.230   5.594  -5.207
  687    QR   TYR  55           QR       TYR  55  22.939   4.604  -5.886
  688    H    SER  56           H        SER  56  19.040   0.395  -6.788
  689    HA   SER  56           HA       SER  56  19.722  -1.902  -8.281
  690   1HB   SER  56          2HB       SER  56  18.319  -1.813  -6.160
  691   2HB   SER  56          1HB       SER  56  16.998  -1.195  -7.138
  692    HG   SER  56           HG       SER  56  16.785  -3.131  -8.105
  693    QB   SER  56           QB       SER  56  17.659  -1.504  -6.649
  694    H    LEU  57           H        LEU  57  17.979   0.979  -9.024
  695    HA   LEU  57           HA       LEU  57  16.513   0.062 -11.287
  696   1HB   LEU  57          2HB       LEU  57  17.471   2.843 -10.595
  697   2HB   LEU  57          1HB       LEU  57  16.265   2.457 -11.801
  698    HG   LEU  57           HG       LEU  57  15.963   2.024  -8.825
  699   1HD1  LEU  57          2HD1      LEU  57  15.965   4.390  -9.417
  700   2HD1  LEU  57          1HD1      LEU  57  14.740   4.095 -10.649
  701   3HD1  LEU  57          3HD1      LEU  57  14.347   3.861  -8.944
  702   1HD2  LEU  57          1HD2      LEU  57  13.992   1.675 -11.091
  703   2HD2  LEU  57          3HD2      LEU  57  14.688   0.388 -10.102
  704   3HD2  LEU  57          2HD2      LEU  57  13.604   1.575  -9.375
  705    MD1  LEU  57           QD1      LEU  57  15.018   4.115  -9.670
  706    MD2  LEU  57           QD2      LEU  57  14.095   1.213 -10.189
  707    QB   LEU  57           QB       LEU  57  16.868   2.650 -11.198
  708    QD   LEU  57           QQD      LEU  57  14.556   2.664  -9.930
  709    H    LEU  58           H        LEU  58  19.780   1.044 -10.709
  710    HA   LEU  58           HA       LEU  58  20.342   1.333 -13.549
  711   1HB   LEU  58          2HB       LEU  58  22.101   1.842 -11.136
  712   2HB   LEU  58          1HB       LEU  58  22.644   2.000 -12.790
  713    HG   LEU  58           HG       LEU  58  20.879   3.821 -13.054
  714   1HD1  LEU  58          2HD1      LEU  58  19.504   3.302 -11.131
  715   2HD1  LEU  58          1HD1      LEU  58  20.839   3.692 -10.048
  716   3HD1  LEU  58          3HD1      LEU  58  20.111   4.955 -11.046
  717   1HD2  LEU  58          2HD2      LEU  58  23.135   4.266 -11.107
  718   2HD2  LEU  58          1HD2      LEU  58  23.248   4.326 -12.864
  719   3HD2  LEU  58          3HD2      LEU  58  22.288   5.529 -12.002
  720    MD1  LEU  58           QD1      LEU  58  20.151   3.983 -10.741
  721    MD2  LEU  58           QD2      LEU  58  22.891   4.707 -11.991
  722    QB   LEU  58           QB       LEU  58  22.372   1.921 -11.963
  723    QD   LEU  58           QQD      LEU  58  21.521   4.345 -11.366
  724    H    GLU  59           H        GLU  59  21.526  -0.466 -10.711
  725    HA   GLU  59           HA       GLU  59  22.045  -2.720 -12.420
  726   1HB   GLU  59          2HB       GLU  59  24.215  -3.119 -11.266
  727   2HB   GLU  59          1HB       GLU  59  24.235  -1.660 -12.235
  728   1HG   GLU  59          2HG       GLU  59  23.988  -0.294 -10.229
  729   2HG   GLU  59          1HG       GLU  59  23.872  -1.753  -9.245
  730    QB   GLU  59           QB       GLU  59  24.225  -2.389 -11.750
  731    QG   GLU  59           QG       GLU  59  23.930  -1.023  -9.737
  732    H    HIS  60           H        HIS  60  21.425  -4.542 -11.423
  733    HA   HIS  60           HA       HIS  60  19.989  -4.213  -8.947
  734   1HB   HIS  60          2HB       HIS  60  19.147  -5.752 -10.769
  735   2HB   HIS  60          1HB       HIS  60  20.471  -6.849 -10.377
  736    HD1  HIS  60          1HD       HIS  60  20.233  -8.246  -8.133
  737    HD2  HIS  60          2HD       HIS  60  17.057  -5.677  -8.935
  738    HE1  HIS  60          1HE       HIS  60  18.425  -8.845  -6.507
  739    QB   HIS  60           QB       HIS  60  19.809  -6.300 -10.573
  740    H    HIS  61           H        HIS  61  21.468  -3.705  -7.498
  741    HA   HIS  61           HA       HIS  61  23.752  -5.318  -7.067
  742   1HB   HIS  61          2HB       HIS  61  24.134  -3.845  -5.039
  743   2HB   HIS  61          1HB       HIS  61  24.099  -3.027  -6.587
  744    HD1  HIS  61          1HD       HIS  61  21.756  -3.586  -3.582
  745    HD2  HIS  61          2HD       HIS  61  22.419  -0.930  -6.708
  746    HE1  HIS  61          1HE       HIS  61  20.246  -1.637  -3.171
  747    QB   HIS  61           QB       HIS  61  24.116  -3.436  -5.813
  748    H    HIS  62           H        HIS  62  23.934  -7.016  -5.961
  749    HA   HIS  62           HA       HIS  62  21.841  -7.863  -4.089
  750   1HB   HIS  62          2HB       HIS  62  24.296  -9.380  -5.045
  751   2HB   HIS  62          1HB       HIS  62  22.916 -10.058  -4.187
  752    HD1  HIS  62          1HD       HIS  62  24.127  -9.124  -7.586
  753    HD2  HIS  62          2HD       HIS  62  20.588 -10.360  -5.782
  754    HE1  HIS  62          1HE       HIS  62  22.584  -9.705  -9.444
  755    QB   HIS  62           QB       HIS  62  23.606  -9.719  -4.616
  756    H    HIS  63           H        HIS  63  24.753  -6.358  -4.336
  757    HA   HIS  63           HA       HIS  63  25.929  -6.943  -1.797
  758   1HB   HIS  63          2HB       HIS  63  27.296  -6.252  -3.740
  759   2HB   HIS  63          1HB       HIS  63  26.413  -4.739  -3.831
  760    HD1  HIS  63          1HD       HIS  63  29.184  -6.440  -1.984
  761    HD2  HIS  63          2HD       HIS  63  27.180  -2.812  -1.983
  762    HE1  HIS  63          1HE       HIS  63  30.569  -4.873  -0.566
  763    QB   HIS  63           QB       HIS  63  26.855  -5.495  -3.785
  764    H    HIS  64           H        HIS  64  24.372  -6.559  -0.253
  765    HA   HIS  64           HA       HIS  64  23.521  -3.813   0.038
  766   1HB   HIS  64          2HB       HIS  64  22.274  -6.426   0.874
  767   2HB   HIS  64          1HB       HIS  64  21.762  -4.867   1.493
  768    HD1  HIS  64          1HD       HIS  64  20.709  -7.243  -0.875
  769    HD2  HIS  64          2HD       HIS  64  21.135  -3.114  -0.965
  770    HE1  HIS  64          1HE       HIS  64  19.254  -6.438  -2.757
  771    QB   HIS  64           QB       HIS  64  22.018  -5.646   1.184

  No H/Q in entry =         771
  Start of MODEL   15
    1    H1   MET   1          2HT       MET   1  15.908  -5.744   0.103
    2    H2   MET   1          1HT       MET   1  16.065  -4.158  -0.393
    3    H3   MET   1          3HT       MET   1  16.234  -4.548   1.243
    4    HA   MET   1           HA       MET   1  13.917  -5.243   1.292
    5   1HB   MET   1          2HB       MET   1  12.872  -3.019   1.025
    6   2HB   MET   1          1HB       MET   1  14.394  -2.913   1.892
    7   1HG   MET   1          2HG       MET   1  15.475  -2.141  -0.186
    8   2HG   MET   1          1HG       MET   1  13.911  -2.212  -0.996
    9   1HE   MET   1          2HE       MET   1  15.744   0.328  -1.001
   10   2HE   MET   1          1HE       MET   1  14.154   0.346  -1.759
   11   3HE   MET   1          3HE       MET   1  14.614   1.636  -0.645
   12    QB   MET   1           QB       MET   1  13.633  -2.966   1.458
   13    QG   MET   1           QG       MET   1  14.693  -2.177  -0.591
   14    ME   MET   1           QE       MET   1  14.837   0.770  -1.135
   15    H    ASN   2           H        ASN   2  12.004  -5.722   0.189
   16    HA   ASN   2           HA       ASN   2  12.297  -5.691  -2.735
   17   1HB   ASN   2          2HB       ASN   2  10.726  -7.616  -1.002
   18   2HB   ASN   2          1HB       ASN   2  10.639  -7.575  -2.753
   19   1HD2  ASN   2          1HD2      ASN   2  12.456  -8.546  -0.011
   20   2HD2  ASN   2          2HD2      ASN   2  13.680  -9.409  -0.877
   21    QB   ASN   2           QB       ASN   2  10.683  -7.595  -1.878
   22    QD   ASN   2           QD2      ASN   2  13.068  -8.978  -0.444
   23    H    VAL   3           H        VAL   3  11.113  -4.197  -3.656
   24    HA   VAL   3           HA       VAL   3   8.882  -3.000  -2.302
   25    HB   VAL   3           HB       VAL   3   8.541  -1.637  -4.319
   26   1HG1  VAL   3          1HG1      VAL   3  11.413  -1.815  -3.446
   27   2HG1  VAL   3          3HG1      VAL   3  10.705  -0.459  -4.324
   28   3HG1  VAL   3          2HG1      VAL   3  10.133  -0.850  -2.701
   29   1HG2  VAL   3          1HG2      VAL   3  10.781  -3.268  -5.533
   30   2HG2  VAL   3          3HG2      VAL   3   9.097  -3.254  -6.050
   31   3HG2  VAL   3          2HG2      VAL   3  10.091  -1.810  -6.241
   32    MG1  VAL   3           QG1      VAL   3  10.750  -1.041  -3.490
   33    MG2  VAL   3           QG2      VAL   3   9.990  -2.777  -5.941
   34    QG   VAL   3           QQG      VAL   3  10.370  -1.909  -4.716
   35    H    THR   4           H        THR   4   9.263  -5.580  -4.499
   36    HA   THR   4           HA       THR   4   6.721  -5.523  -5.671
   37    HB   THR   4           HB       THR   4   8.695  -6.794  -6.577
   38    HG1  THR   4          1HG       THR   4   7.360  -8.689  -7.143
   39   1HG2  THR   4          3HG2      THR   4   9.407  -7.899  -4.504
   40   2HG2  THR   4          2HG2      THR   4   7.908  -8.810  -4.474
   41   3HG2  THR   4          1HG2      THR   4   9.078  -9.091  -5.764
   42    MG   THR   4           QG2      THR   4   8.797  -8.600  -4.914
   43    H    LYS   5           H        LYS   5   7.765  -6.756  -2.565
   44    HA   LYS   5           HA       LYS   5   5.425  -8.363  -2.201
   45   1HB   LYS   5          2HB       LYS   5   6.129  -8.691   0.133
   46   2HB   LYS   5          1HB       LYS   5   7.471  -8.948  -0.951
   47   1HG   LYS   5          2HG       LYS   5   8.432  -7.805   0.841
   48   2HG   LYS   5          1HG       LYS   5   8.145  -6.524  -0.327
   49   1HD   LYS   5          2HD       LYS   5   6.121  -5.864   0.882
   50   2HD   LYS   5          1HD       LYS   5   6.355  -7.191   2.020
   51   1HE   LYS   5          2HE       LYS   5   8.484  -6.204   2.724
   52   2HE   LYS   5          1HE       LYS   5   8.249  -4.878   1.590
   53   1HZ   LYS   5          2HZ       LYS   5   6.241  -4.254   2.854
   54   2HZ   LYS   5          1HZ       LYS   5   6.524  -5.484   3.952
   55   3HZ   LYS   5          3HZ       LYS   5   7.601  -4.208   3.809
   56    QB   LYS   5           QB       LYS   5   6.800  -8.819  -0.409
   57    QD   LYS   5           QD       LYS   5   6.238  -6.528   1.451
   58    QG   LYS   5           QG       LYS   5   8.289  -7.164   0.257
   59    QE   LYS   5           QE       LYS   5   8.366  -5.541   2.157
   60    QZ   LYS   5           QZ       LYS   5   6.789  -4.649   3.538
   61    H    LEU   6           H        LEU   6   6.226  -5.103  -1.707
   62    HA   LEU   6           HA       LEU   6   4.033  -4.412  -0.028
   63   1HB   LEU   6          2HB       LEU   6   6.124  -3.085  -0.195
   64   2HB   LEU   6          1HB       LEU   6   5.742  -2.779  -1.875
   65    HG   LEU   6           HG       LEU   6   3.920  -1.309  -1.275
   66   1HD1  LEU   6          1HD1      LEU   6   3.097  -2.535   0.695
   67   2HD1  LEU   6          3HD1      LEU   6   4.527  -2.012   1.586
   68   3HD1  LEU   6          2HD1      LEU   6   3.352  -0.821   1.028
   69   1HD2  LEU   6          3HD2      LEU   6   6.362  -0.788   0.400
   70   2HD2  LEU   6          2HD2      LEU   6   6.161  -0.383  -1.308
   71   3HD2  LEU   6          1HD2      LEU   6   5.157   0.401  -0.086
   72    MD1  LEU   6           QD1      LEU   6   3.659  -1.789   1.103
   73    MD2  LEU   6           QD2      LEU   6   5.893  -0.257  -0.331
   74    QB   LEU   6           QB       LEU   6   5.933  -2.932  -1.035
   75    QD   LEU   6           QQD      LEU   6   4.776  -1.023   0.386
   76    H    ASN   7           H        ASN   7   4.744  -4.347  -3.468
   77    HA   ASN   7           HA       ASN   7   2.327  -3.186  -4.283
   78   1HB   ASN   7          2HB       ASN   7   4.449  -3.347  -5.668
   79   2HB   ASN   7          1HB       ASN   7   4.071  -5.039  -5.924
   80   1HD2  ASN   7          1HD2      ASN   7   2.566  -5.583  -7.470
   81   2HD2  ASN   7          2HD2      ASN   7   1.774  -4.403  -8.455
   82    QB   ASN   7           QB       ASN   7   4.260  -4.193  -5.796
   83    QD   ASN   7           QD2      ASN   7   2.170  -4.993  -7.962
   84    H    ASP   8           H        ASP   8   3.311  -6.467  -3.655
   85    HA   ASP   8           HA       ASP   8   1.038  -7.857  -4.628
   86   1HB   ASP   8          2HB       ASP   8   3.147  -9.006  -4.034
   87   2HB   ASP   8          1HB       ASP   8   2.900  -8.570  -2.352
   88    QB   ASP   8           QB       ASP   8   3.023  -8.788  -3.193
   89    H    ARG   9           H        ARG   9   1.831  -6.440  -1.494
   90    HA   ARG   9           HA       ARG   9  -0.552  -7.261  -0.212
   91   1HB   ARG   9          2HB       ARG   9   1.303  -4.974   0.455
   92   2HB   ARG   9          1HB       ARG   9  -0.011  -5.518   1.491
   93   1HG   ARG   9          2HG       ARG   9   1.071  -7.735   1.636
   94   2HG   ARG   9          1HG       ARG   9   2.413  -7.108   0.676
   95   1HD   ARG   9          2HD       ARG   9   2.990  -7.036   3.014
   96   2HD   ARG   9          1HD       ARG   9   2.791  -5.393   2.399
   97    HE   ARG   9           HE       ARG   9   0.352  -6.190   3.426
   98   1HH1  ARG   9          1HH1      ARG   9   3.591  -5.529   4.683
   99   2HH1  ARG   9          2HH1      ARG   9   3.044  -5.096   6.230
  100   1HH2  ARG   9          1HH2      ARG   9  -0.380  -5.626   5.530
  101   2HH2  ARG   9          2HH2      ARG   9   0.731  -5.168   6.741
  102    QB   ARG   9           QB       ARG   9   0.646  -5.246   0.973
  103    QG   ARG   9           QG       ARG   9   1.742  -7.421   1.156
  104    QD   ARG   9           QD       ARG   9   2.890  -6.215   2.707
  105    QH1  ARG   9           QH1      ARG   9   3.318  -5.313   5.457
  106    QH2  ARG   9           QH2      ARG   9   0.176  -5.397   6.135
  107    H    ILE  10           H        ILE  10   0.325  -4.401  -2.049
  108    HA   ILE  10           HA       ILE  10  -1.998  -2.901  -1.712
  109    HB   ILE  10           HB       ILE  10  -0.227  -3.165  -4.165
  110   1HG1  ILE  10          2HG1      ILE  10  -0.369  -1.039  -2.022
  111   2HG1  ILE  10          1HG1      ILE  10   0.884  -2.268  -2.167
  112   1HG2  ILE  10          1HG2      ILE  10  -2.424  -2.346  -4.885
  113   2HG2  ILE  10          3HG2      ILE  10  -2.366  -1.088  -3.653
  114   3HG2  ILE  10          2HG2      ILE  10  -1.221  -1.072  -4.993
  115   1HD1  ILE  10          3HD1      ILE  10   0.307  -0.078  -4.145
  116   2HD1  ILE  10          2HD1      ILE  10   1.645  -0.119  -2.991
  117   3HD1  ILE  10          1HD1      ILE  10   1.576  -1.296  -4.304
  118    MG   ILE  10           QG2      ILE  10  -2.004  -1.502  -4.510
  119    MD   ILE  10           QD1      ILE  10   1.176  -0.498  -3.813
  120    QG   ILE  10           QG1      ILE  10   0.258  -1.653  -2.094
  121    H    GLU  11           H        GLU  11  -1.275  -5.577  -3.843
  122    HA   GLU  11           HA       GLU  11  -3.557  -5.529  -5.468
  123   1HB   GLU  11          2HB       GLU  11  -1.374  -6.947  -5.581
  124   2HB   GLU  11          1HB       GLU  11  -2.277  -8.093  -4.604
  125   1HG   GLU  11          2HG       GLU  11  -2.468  -8.719  -6.896
  126   2HG   GLU  11          1HG       GLU  11  -4.033  -8.096  -6.360
  127    QB   GLU  11           QB       GLU  11  -1.825  -7.520  -5.093
  128    QG   GLU  11           QG       GLU  11  -3.251  -8.407  -6.628
  129    H    ALA  12           H        ALA  12  -2.959  -7.096  -2.367
  130    HA   ALA  12           HA       ALA  12  -5.487  -8.385  -2.186
  131   1HB   ALA  12          3HB       ALA  12  -3.528  -9.144  -0.908
  132   2HB   ALA  12          1HB       ALA  12  -4.899  -8.804   0.147
  133   3HB   ALA  12          2HB       ALA  12  -3.572  -7.650   0.029
  134    MB   ALA  12           QB       ALA  12  -3.999  -8.533  -0.244
  135    H    LYS  13           H        LYS  13  -4.282  -5.268  -1.232
  136    HA   LYS  13           HA       LYS  13  -6.586  -4.577   0.322
  137   1HB   LYS  13          2HB       LYS  13  -4.321  -2.895  -0.754
  138   2HB   LYS  13          1HB       LYS  13  -5.601  -2.253   0.253
  139   1HG   LYS  13          2HG       LYS  13  -3.687  -4.445   1.060
  140   2HG   LYS  13          1HG       LYS  13  -3.530  -2.749   1.505
  141   1HD   LYS  13          2HD       LYS  13  -5.873  -4.523   2.237
  142   2HD   LYS  13          1HD       LYS  13  -4.524  -4.140   3.300
  143   1HE   LYS  13          2HE       LYS  13  -5.111  -1.764   3.200
  144   2HE   LYS  13          1HE       LYS  13  -6.444  -2.133   2.112
  145   1HZ   LYS  13          3HZ       LYS  13  -6.219  -3.250   4.840
  146   2HZ   LYS  13          2HZ       LYS  13  -7.064  -1.842   4.492
  147   3HZ   LYS  13          1HZ       LYS  13  -7.544  -3.334   3.795
  148    QB   LYS  13           QB       LYS  13  -4.961  -2.574  -0.250
  149    QD   LYS  13           QD       LYS  13  -5.199  -4.332   2.768
  150    QG   LYS  13           QG       LYS  13  -3.609  -3.597   1.282
  151    QE   LYS  13           QE       LYS  13  -5.778  -1.948   2.656
  152    QZ   LYS  13           QZ       LYS  13  -6.943  -2.808   4.376
  153    H    LYS  14           H        LYS  14  -5.548  -4.039  -2.968
  154    HA   LYS  14           HA       LYS  14  -7.522  -2.246  -3.837
  155   1HB   LYS  14          2HB       LYS  14  -6.089  -4.458  -5.317
  156   2HB   LYS  14          1HB       LYS  14  -7.149  -3.297  -6.098
  157   1HG   LYS  14          2HG       LYS  14  -5.667  -1.510  -5.670
  158   2HG   LYS  14          1HG       LYS  14  -4.747  -2.461  -4.500
  159   1HD   LYS  14          2HD       LYS  14  -3.526  -2.251  -6.609
  160   2HD   LYS  14          1HD       LYS  14  -3.962  -3.927  -6.308
  161   1HE   LYS  14          2HE       LYS  14  -5.954  -3.505  -7.810
  162   2HE   LYS  14          1HE       LYS  14  -5.152  -1.967  -8.196
  163   1HZ   LYS  14          1HZ       LYS  14  -3.237  -3.210  -8.991
  164   2HZ   LYS  14          3HZ       LYS  14  -4.007  -4.670  -8.597
  165   3HZ   LYS  14          2HZ       LYS  14  -4.623  -3.690  -9.825
  166    QB   LYS  14           QB       LYS  14  -6.619  -3.877  -5.707
  167    QD   LYS  14           QD       LYS  14  -3.744  -3.089  -6.459
  168    QG   LYS  14           QG       LYS  14  -5.207  -1.985  -5.085
  169    QE   LYS  14           QE       LYS  14  -5.553  -2.736  -8.003
  170    QZ   LYS  14           QZ       LYS  14  -3.956  -3.857  -9.138
  171    H    LYS  15           H        LYS  15  -7.462  -5.786  -3.987
  172    HA   LYS  15           HA       LYS  15 -10.032  -6.094  -5.093
  173   1HB   LYS  15          2HB       LYS  15  -8.445  -8.043  -3.414
  174   2HB   LYS  15          1HB       LYS  15  -9.853  -8.447  -4.389
  175   1HG   LYS  15          2HG       LYS  15  -8.658  -7.830  -6.420
  176   2HG   LYS  15          1HG       LYS  15  -7.255  -7.351  -5.463
  177   1HD   LYS  15          2HD       LYS  15  -6.871  -9.545  -6.398
  178   2HD   LYS  15          1HD       LYS  15  -7.065  -9.692  -4.654
  179   1HE   LYS  15          2HE       LYS  15  -9.412 -10.382  -4.997
  180   2HE   LYS  15          1HE       LYS  15  -9.181 -10.254  -6.737
  181   1HZ   LYS  15          2HZ       LYS  15  -7.427 -11.970  -6.525
  182   2HZ   LYS  15          1HZ       LYS  15  -7.771 -12.123  -4.910
  183   3HZ   LYS  15          3HZ       LYS  15  -8.944 -12.535  -6.045
  184    QB   LYS  15           QB       LYS  15  -9.149  -8.245  -3.902
  185    QD   LYS  15           QD       LYS  15  -6.968  -9.618  -5.526
  186    QG   LYS  15           QG       LYS  15  -7.956  -7.591  -5.941
  187    QE   LYS  15           QE       LYS  15  -9.297 -10.318  -5.867
  188    QZ   LYS  15           QZ       LYS  15  -8.047 -12.209  -5.827
  189    H    GLU  16           H        GLU  16  -8.907  -6.024  -1.781
  190    HA   GLU  16           HA       GLU  16 -11.278  -6.671  -0.445
  191   1HB   GLU  16          2HB       GLU  16  -9.092  -6.630   0.629
  192   2HB   GLU  16          1HB       GLU  16  -8.962  -4.908   0.340
  193   1HG   GLU  16          2HG       GLU  16 -10.810  -4.509   1.888
  194   2HG   GLU  16          1HG       GLU  16 -10.945  -6.250   2.166
  195    QB   GLU  16           QB       GLU  16  -9.027  -5.769   0.485
  196    QG   GLU  16           QG       GLU  16 -10.878  -5.380   2.027
  197    H    LEU  17           H        LEU  17  -9.885  -3.523  -1.348
  198    HA   LEU  17           HA       LEU  17 -11.948  -1.962  -0.308
  199   1HB   LEU  17          2HB       LEU  17  -9.750  -1.062  -0.874
  200   2HB   LEU  17          1HB       LEU  17 -10.059  -1.339  -2.575
  201    HG   LEU  17           HG       LEU  17 -11.894   0.317  -2.497
  202   1HD1  LEU  17          1HD1      LEU  17 -10.956   0.761   0.324
  203   2HD1  LEU  17          3HD1      LEU  17 -12.106   1.782  -0.533
  204   3HD1  LEU  17          2HD1      LEU  17 -12.519   0.110  -0.147
  205   1HD2  LEU  17          2HD2      LEU  17  -9.647   1.005  -3.166
  206   2HD2  LEU  17          1HD2      LEU  17 -10.478   2.298  -2.298
  207   3HD2  LEU  17          3HD2      LEU  17  -9.248   1.335  -1.480
  208    MD1  LEU  17           QD1      LEU  17 -11.860   0.885  -0.118
  209    MD2  LEU  17           QD2      LEU  17  -9.791   1.546  -2.315
  210    QB   LEU  17           QB       LEU  17  -9.904  -1.201  -1.725
  211    QD   LEU  17           QQD      LEU  17 -10.826   1.215  -1.217
  212    H    ILE  18           H        ILE  18 -11.426  -3.222  -3.585
  213    HA   ILE  18           HA       ILE  18 -13.622  -2.079  -4.866
  214    HB   ILE  18           HB       ILE  18 -12.415  -4.830  -5.337
  215   1HG1  ILE  18          2HG1      ILE  18 -11.997  -2.232  -6.834
  216   2HG1  ILE  18          1HG1      ILE  18 -10.879  -2.900  -5.647
  217   1HG2  ILE  18          3HG2      ILE  18 -14.671  -4.760  -6.273
  218   2HG2  ILE  18          2HG2      ILE  18 -14.283  -3.270  -7.132
  219   3HG2  ILE  18          1HG2      ILE  18 -13.462  -4.771  -7.560
  220   1HD1  ILE  18          2HD1      ILE  18 -10.539  -4.847  -7.084
  221   2HD1  ILE  18          1HD1      ILE  18 -11.654  -4.167  -8.266
  222   3HD1  ILE  18          3HD1      ILE  18 -10.132  -3.350  -7.919
  223    MG   ILE  18           QG2      ILE  18 -14.139  -4.267  -6.988
  224    MD   ILE  18           QD1      ILE  18 -10.775  -4.121  -7.756
  225    QG   ILE  18           QG1      ILE  18 -11.438  -2.566  -6.240
  226    H    TYR  19           H        TYR  19 -13.461  -5.084  -3.016
  227    HA   TYR  19           HA       TYR  19 -16.107  -5.922  -3.411
  228   1HB   TYR  19          2HB       TYR  19 -14.363  -7.405  -2.497
  229   2HB   TYR  19          1HB       TYR  19 -14.277  -6.426  -1.042
  230    HD1  TYR  19          1HD       TYR  19 -16.469  -8.689  -2.991
  231    HD2  TYR  19          2HD       TYR  19 -15.779  -6.825   0.768
  232    HE1  TYR  19          1HE       TYR  19 -18.205 -10.105  -1.972
  233    HE2  TYR  19          2HE       TYR  19 -17.516  -8.235   1.793
  234    HH   TYR  19           HH       TYR  19 -18.788 -10.949   0.258
  235    QB   TYR  19           QB       TYR  19 -14.320  -6.915  -1.769
  236    QD   TYR  19           QD       TYR  19 -16.124  -7.757  -1.111
  237    QE   TYR  19           QE       TYR  19 -17.860  -9.170  -0.089
  238    QR   TYR  19           QR       TYR  19 -16.992  -8.464  -0.600
  239    H    LEU  20           H        LEU  20 -14.650  -3.871  -0.952
  240    HA   LEU  20           HA       LEU  20 -17.066  -3.578   0.509
  241   1HB   LEU  20          2HB       LEU  20 -14.582  -1.883   0.616
  242   2HB   LEU  20          1HB       LEU  20 -15.873  -1.890   1.803
  243    HG   LEU  20           HG       LEU  20 -13.969  -4.154   1.204
  244   1HD1  LEU  20          1HD1      LEU  20 -12.988  -2.369   2.501
  245   2HD1  LEU  20          3HD1      LEU  20 -14.346  -2.454   3.629
  246   3HD1  LEU  20          2HD1      LEU  20 -13.238  -3.818   3.481
  247   1HD2  LEU  20          2HD2      LEU  20 -16.182  -5.042   1.731
  248   2HD2  LEU  20          1HD2      LEU  20 -15.043  -5.344   3.041
  249   3HD2  LEU  20          3HD2      LEU  20 -16.230  -4.055   3.190
  250    MD1  LEU  20           QD1      LEU  20 -13.524  -2.880   3.204
  251    MD2  LEU  20           QD2      LEU  20 -15.819  -4.813   2.654
  252    QB   LEU  20           QB       LEU  20 -15.228  -1.887   1.209
  253    QD   LEU  20           QQD      LEU  20 -14.671  -3.847   2.929
  254    H    VAL  21           H        VAL  21 -15.540  -1.688  -2.023
  255    HA   VAL  21           HA       VAL  21 -17.325   0.502  -1.842
  256    HB   VAL  21           HB       VAL  21 -15.787  -0.486  -4.288
  257   1HG1  VAL  21          2HG1      VAL  21 -17.080   2.200  -3.784
  258   2HG1  VAL  21          1HG1      VAL  21 -16.069   1.791  -5.171
  259   3HG1  VAL  21          3HG1      VAL  21 -17.616   0.980  -4.940
  260   1HG2  VAL  21          2HG2      VAL  21 -14.320   0.103  -2.435
  261   2HG2  VAL  21          1HG2      VAL  21 -14.180   1.280  -3.740
  262   3HG2  VAL  21          3HG2      VAL  21 -15.109   1.673  -2.294
  263    MG1  VAL  21           QG1      VAL  21 -16.922   1.657  -4.632
  264    MG2  VAL  21           QG2      VAL  21 -14.536   1.018  -2.823
  265    QG   VAL  21           QQG      VAL  21 -15.729   1.338  -3.727
  266    H    GLU  22           H        GLU  22 -17.447  -2.542  -3.570
  267    HA   GLU  22           HA       GLU  22 -19.891  -2.045  -4.900
  268   1HB   GLU  22          2HB       GLU  22 -18.523  -4.629  -4.188
  269   2HB   GLU  22          1HB       GLU  22 -20.005  -4.543  -5.133
  270   1HG   GLU  22          2HG       GLU  22 -17.373  -3.293  -5.874
  271   2HG   GLU  22          1HG       GLU  22 -18.042  -4.782  -6.548
  272    QB   GLU  22           QB       GLU  22 -19.264  -4.586  -4.661
  273    QG   GLU  22           QG       GLU  22 -17.708  -4.038  -6.211
  274    H    LYS  23           H        LYS  23 -19.204  -3.716  -1.863
  275    HA   LYS  23           HA       LYS  23 -22.000  -4.311  -1.478
  276   1HB   LYS  23          2HB       LYS  23 -19.671  -4.794   0.376
  277   2HB   LYS  23          1HB       LYS  23 -21.292  -5.440   0.577
  278   1HG   LYS  23          2HG       LYS  23 -19.446  -6.057  -1.728
  279   2HG   LYS  23          1HG       LYS  23 -19.732  -7.100  -0.337
  280   1HD   LYS  23          2HD       LYS  23 -22.074  -7.323  -0.959
  281   2HD   LYS  23          1HD       LYS  23 -21.843  -6.208  -2.304
  282   1HE   LYS  23          2HE       LYS  23 -20.279  -7.766  -3.338
  283   2HE   LYS  23          1HE       LYS  23 -20.468  -8.878  -1.981
  284   1HZ   LYS  23          1HZ       LYS  23 -22.647  -8.037  -3.810
  285   2HZ   LYS  23          3HZ       LYS  23 -21.831  -9.509  -3.902
  286   3HZ   LYS  23          2HZ       LYS  23 -22.795  -9.129  -2.554
  287    QB   LYS  23           QB       LYS  23 -20.481  -5.117   0.476
  288    QD   LYS  23           QD       LYS  23 -21.959  -6.765  -1.631
  289    QG   LYS  23           QG       LYS  23 -19.589  -6.578  -1.032
  290    QE   LYS  23           QE       LYS  23 -20.374  -8.322  -2.660
  291    QZ   LYS  23           QZ       LYS  23 -22.424  -8.892  -3.422
  292    H    TYR  24           H        TYR  24 -19.674  -2.201   0.198
  293    HA   TYR  24           HA       TYR  24 -21.771  -1.259   1.978
  294   1HB   TYR  24          2HB       TYR  24 -18.808  -0.629   1.814
  295   2HB   TYR  24          1HB       TYR  24 -19.893   0.110   2.979
  296    HD1  TYR  24          1HD       TYR  24 -20.154  -0.880   5.040
  297    HD2  TYR  24          2HD       TYR  24 -18.737  -3.260   1.836
  298    HE1  TYR  24          1HE       TYR  24 -19.834  -2.760   6.593
  299    HE2  TYR  24          2HE       TYR  24 -18.400  -5.147   3.368
  300    HH   TYR  24           HH       TYR  24 -18.084  -5.532   5.718
  301    QB   TYR  24           QB       TYR  24 -19.350  -0.259   2.396
  302    QD   TYR  24           QD       TYR  24 -19.445  -2.070   3.438
  303    QE   TYR  24           QE       TYR  24 -19.117  -3.953   4.981
  304    QR   TYR  24           QR       TYR  24 -19.281  -3.012   4.209
  305    H    GLY  25           H        GLY  25 -19.605  -0.026  -0.471
  306   1HA   GLY  25          1HA       GLY  25 -21.479   2.211  -0.864
  307   2HA   GLY  25          2HA       GLY  25 -20.481   1.506  -2.136
  308    QA   GLY  25           QA       GLY  25 -20.980   1.859  -1.500
  309    H    PHE  26           H        PHE  26 -20.002   3.867  -2.337
  310    HA   PHE  26           HA       PHE  26 -17.495   4.339  -0.996
  311   1HB   PHE  26          2HB       PHE  26 -17.283   6.261  -2.621
  312   2HB   PHE  26          1HB       PHE  26 -17.398   4.677  -3.360
  313    HD1  PHE  26          1HD       PHE  26 -19.046   7.902  -2.889
  314    HD2  PHE  26          2HD       PHE  26 -19.369   4.045  -4.643
  315    HE1  PHE  26          1HE       PHE  26 -20.881   8.706  -4.311
  316    HE2  PHE  26          2HE       PHE  26 -21.205   4.836  -6.067
  317    HZ   PHE  26           HZ       PHE  26 -21.969   7.172  -5.900
  318    QB   PHE  26           QB       PHE  26 -17.340   5.469  -2.990
  319    QD   PHE  26           QD       PHE  26 -19.207   5.973  -3.766
  320    QE   PHE  26           QE       PHE  26 -21.043   6.771  -5.189
  321    QR   PHE  26           QR       PHE  26 -20.494   6.532  -4.762
  322    H    THR  27           H        THR  27 -16.997   6.656  -0.339
  323    HA   THR  27           HA       THR  27 -17.256   8.334   1.108
  324    HB   THR  27           HB       THR  27 -20.216   8.371   0.410
  325    HG1  THR  27          1HG       THR  27 -17.928   8.832  -1.118
  326   1HG2  THR  27          1HG2      THR  27 -19.399  10.001   2.120
  327   2HG2  THR  27          3HG2      THR  27 -18.210  10.590   0.954
  328   3HG2  THR  27          2HG2      THR  27 -19.935  10.802   0.646
  329    MG   THR  27           QG2      THR  27 -19.181  10.464   1.240
  330    H    HIS  28           H        HIS  28 -17.689   5.561   1.907
  331    HA   HIS  28           HA       HIS  28 -19.196   5.912   4.390
  332   1HB   HIS  28          2HB       HIS  28 -19.889   3.976   3.022
  333   2HB   HIS  28          1HB       HIS  28 -18.230   3.408   2.951
  334    HD1  HIS  28          1HD       HIS  28 -21.231   3.480   5.239
  335    HD2  HIS  28          2HD       HIS  28 -17.336   2.067   5.161
  336    HE1  HIS  28          1HE       HIS  28 -21.030   1.894   7.172
  337    QB   HIS  28           QB       HIS  28 -19.059   3.692   2.987
  338    H    HIS  29           H        HIS  29 -18.067   5.738   6.344
  339    HA   HIS  29           HA       HIS  29 -15.492   6.721   6.417
  340   1HB   HIS  29          2HB       HIS  29 -16.971   5.253   8.600
  341   2HB   HIS  29          1HB       HIS  29 -15.437   6.073   8.845
  342    HD1  HIS  29          1HD       HIS  29 -19.057   6.684   8.836
  343    HD2  HIS  29          2HD       HIS  29 -15.592   8.930   8.382
  344    HE1  HIS  29          1HE       HIS  29 -19.727   9.066   9.184
  345    QB   HIS  29           QB       HIS  29 -16.204   5.663   8.722
  346    H    LYS  30           H        LYS  30 -16.361   3.299   6.814
  347    HA   LYS  30           HA       LYS  30 -13.740   2.399   7.322
  348   1HB   LYS  30          2HB       LYS  30 -15.937   0.872   5.881
  349   2HB   LYS  30          1HB       LYS  30 -14.492   0.186   6.576
  350   1HG   LYS  30          2HG       LYS  30 -15.226   0.783   8.808
  351   2HG   LYS  30          1HG       LYS  30 -16.667   1.558   8.139
  352   1HD   LYS  30          2HD       LYS  30 -17.359  -0.602   7.176
  353   2HD   LYS  30          1HD       LYS  30 -15.937  -1.362   7.886
  354   1HE   LYS  30          2HE       LYS  30 -18.143  -0.001   9.438
  355   2HE   LYS  30          1HE       LYS  30 -18.000  -1.734   9.191
  356   1HZ   LYS  30          3HZ       LYS  30 -15.847  -1.647  10.367
  357   2HZ   LYS  30          2HZ       LYS  30 -16.061  -0.018  10.668
  358   3HZ   LYS  30          1HZ       LYS  30 -17.128  -1.154  11.325
  359    QB   LYS  30           QB       LYS  30 -15.215   0.529   6.228
  360    QD   LYS  30           QD       LYS  30 -16.648  -0.982   7.531
  361    QG   LYS  30           QG       LYS  30 -15.946   1.170   8.473
  362    QE   LYS  30           QE       LYS  30 -18.071  -0.868   9.314
  363    QZ   LYS  30           QZ       LYS  30 -16.346  -0.940  10.787
  364    H    VAL  31           H        VAL  31 -15.567   2.587   4.306
  365    HA   VAL  31           HA       VAL  31 -13.629   1.631   2.555
  366    HB   VAL  31           HB       VAL  31 -15.883   3.597   2.031
  367   1HG1  VAL  31          2HG1      VAL  31 -14.241   3.670   0.216
  368   2HG1  VAL  31          1HG1      VAL  31 -14.333   1.915   0.062
  369   3HG1  VAL  31          3HG1      VAL  31 -15.740   2.908  -0.319
  370   1HG2  VAL  31          3HG2      VAL  31 -16.630   1.472   2.966
  371   2HG2  VAL  31          2HG2      VAL  31 -17.119   1.619   1.278
  372   3HG2  VAL  31          1HG2      VAL  31 -15.746   0.601   1.717
  373    MG1  VAL  31           QG1      VAL  31 -14.771   2.831  -0.014
  374    MG2  VAL  31           QG2      VAL  31 -16.498   1.230   1.987
  375    QG   VAL  31           QQG      VAL  31 -15.635   2.031   0.987
  376    H    ILE  32           H        ILE  32 -14.230   4.927   3.670
  377    HA   ILE  32           HA       ILE  32 -12.326   6.236   2.058
  378    HB   ILE  32           HB       ILE  32 -13.326   6.996   4.834
  379   1HG1  ILE  32          2HG1      ILE  32 -14.179   7.976   2.094
  380   2HG1  ILE  32          1HG1      ILE  32 -15.079   6.843   3.091
  381   1HG2  ILE  32          1HG2      ILE  32 -11.210   8.136   4.367
  382   2HG2  ILE  32          3HG2      ILE  32 -11.847   8.703   2.822
  383   3HG2  ILE  32          2HG2      ILE  32 -12.552   9.277   4.335
  384   1HD1  ILE  32          1HD1      ILE  32 -14.475   9.714   3.782
  385   2HD1  ILE  32          3HD1      ILE  32 -16.020   9.081   3.211
  386   3HD1  ILE  32          2HD1      ILE  32 -15.391   8.585   4.782
  387    MG   ILE  32           QG2      ILE  32 -11.870   8.706   3.841
  388    MD   ILE  32           QD1      ILE  32 -15.295   9.127   3.925
  389    QG   ILE  32           QG1      ILE  32 -14.629   7.409   2.592
  390    H    SER  33           H        SER  33 -12.025   4.712   5.234
  391    HA   SER  33           HA       SER  33  -9.351   5.426   5.708
  392   1HB   SER  33          2HB       SER  33 -10.895   3.034   6.730
  393   2HB   SER  33          1HB       SER  33  -9.411   3.690   7.439
  394    HG   SER  33           HG       SER  33 -12.008   4.808   7.370
  395    QB   SER  33           QB       SER  33 -10.153   3.362   7.084
  396    H    PHE  34           H        PHE  34 -10.776   2.575   4.146
  397    HA   PHE  34           HA       PHE  34  -8.315   1.268   3.653
  398   1HB   PHE  34          2HB       PHE  34 -10.973   1.052   2.262
  399   2HB   PHE  34          1HB       PHE  34  -9.589   0.037   1.845
  400    HD1  PHE  34          1HD       PHE  34  -8.665  -1.443   3.647
  401    HD2  PHE  34          2HD       PHE  34 -12.383   0.529   3.978
  402    HE1  PHE  34          1HE       PHE  34  -9.338  -3.028   5.383
  403    HE2  PHE  34          2HE       PHE  34 -13.081  -1.026   5.708
  404    HZ   PHE  34           HZ       PHE  34 -11.547  -2.829   6.437
  405    QB   PHE  34           QB       PHE  34 -10.281   0.545   2.054
  406    QD   PHE  34           QD       PHE  34 -10.524  -0.457   3.813
  407    QE   PHE  34           QE       PHE  34 -11.209  -2.027   5.545
  408    QR   PHE  34           QR       PHE  34 -11.003  -1.559   5.031
  409    H    SER  35           H        SER  35 -10.139   3.640   1.831
  410    HA   SER  35           HA       SER  35  -8.589   3.566  -0.514
  411   1HB   SER  35          2HB       SER  35 -10.119   5.896   0.682
  412   2HB   SER  35          1HB       SER  35  -9.570   5.774  -0.990
  413    HG   SER  35           HG       SER  35 -11.430   4.051   0.315
  414    QB   SER  35           QB       SER  35  -9.844   5.835  -0.154
  415    H    GLN  36           H        GLN  36  -8.261   5.380   2.494
  416    HA   GLN  36           HA       GLN  36  -5.991   6.887   1.805
  417   1HB   GLN  36          2HB       GLN  36  -6.975   5.886   4.475
  418   2HB   GLN  36          1HB       GLN  36  -5.604   6.970   4.295
  419   1HG   GLN  36          2HG       GLN  36  -7.009   8.681   3.363
  420   2HG   GLN  36          1HG       GLN  36  -8.385   7.579   3.326
  421   1HE2  GLN  36          1HE2      GLN  36  -9.460   7.148   5.176
  422   2HE2  GLN  36          2HE2      GLN  36  -9.254   8.010   6.655
  423    QB   GLN  36           QB       GLN  36  -6.290   6.428   4.385
  424    QG   GLN  36           QG       GLN  36  -7.697   8.130   3.344
  425    QE   GLN  36           QE2      GLN  36  -9.357   7.579   5.915
  426    H    GLU  37           H        GLU  37  -6.361   3.605   3.059
  427    HA   GLU  37           HA       GLU  37  -3.624   3.118   3.507
  428   1HB   GLU  37          2HB       GLU  37  -5.786   1.144   2.749
  429   2HB   GLU  37          1HB       GLU  37  -4.172   0.699   3.275
  430   1HG   GLU  37          2HG       GLU  37  -4.639   1.878   5.423
  431   2HG   GLU  37          1HG       GLU  37  -6.302   2.080   4.878
  432    QB   GLU  37           QB       GLU  37  -4.979   0.921   3.012
  433    QG   GLU  37           QG       GLU  37  -5.471   1.979   5.151
  434    H    LEU  38           H        LEU  38  -5.651   2.457   0.667
  435    HA   LEU  38           HA       LEU  38  -3.623   1.373  -0.906
  436   1HB   LEU  38          2HB       LEU  38  -6.235   2.641  -1.588
  437   2HB   LEU  38          1HB       LEU  38  -5.095   2.338  -2.875
  438    HG   LEU  38           HG       LEU  38  -6.694   0.555  -2.794
  439   1HD1  LEU  38          2HD1      LEU  38  -4.427  -0.014  -3.406
  440   2HD1  LEU  38          1HD1      LEU  38  -4.036  -0.377  -1.735
  441   3HD1  LEU  38          3HD1      LEU  38  -5.223  -1.362  -2.590
  442   1HD2  LEU  38          1HD2      LEU  38  -7.383   0.725  -0.446
  443   2HD2  LEU  38          3HD2      LEU  38  -6.938  -0.928  -0.870
  444   3HD2  LEU  38          2HD2      LEU  38  -5.821   0.077   0.057
  445    MD1  LEU  38           QD1      LEU  38  -4.562  -0.585  -2.577
  446    MD2  LEU  38           QD2      LEU  38  -6.714  -0.042  -0.420
  447    QB   LEU  38           QB       LEU  38  -5.665   2.489  -2.231
  448    QD   LEU  38           QQD      LEU  38  -5.638  -0.313  -1.498
  449    H    ASP  39           H        ASP  39  -4.675   4.735  -0.737
  450    HA   ASP  39           HA       ASP  39  -2.917   5.730  -2.678
  451   1HB   ASP  39          2HB       ASP  39  -4.714   7.117  -1.872
  452   2HB   ASP  39          1HB       ASP  39  -4.060   7.091  -0.238
  453    QB   ASP  39           QB       ASP  39  -4.387   7.104  -1.055
  454    H    ARG  40           H        ARG  40  -2.470   5.387   0.791
  455    HA   ARG  40           HA       ARG  40   0.107   6.537   0.811
  456   1HB   ARG  40          2HB       ARG  40  -1.272   4.775   2.827
  457   2HB   ARG  40          1HB       ARG  40   0.331   5.461   3.082
  458   1HG   ARG  40          2HG       ARG  40  -0.562   7.703   2.966
  459   2HG   ARG  40          1HG       ARG  40  -2.152   7.067   2.542
  460   1HD   ARG  40          2HD       ARG  40  -0.707   6.540   5.134
  461   2HD   ARG  40          1HD       ARG  40  -1.996   7.724   4.903
  462    HE   ARG  40           HE       ARG  40  -2.918   5.292   3.990
  463   1HH1  ARG  40          1HH1      ARG  40  -2.067   6.794   7.113
  464   2HH1  ARG  40          2HH1      ARG  40  -3.023   5.751   8.032
  465   1HH2  ARG  40          1HH2      ARG  40  -4.284   3.840   5.338
  466   2HH2  ARG  40          2HH2      ARG  40  -4.305   4.054   7.015
  467    QB   ARG  40           QB       ARG  40  -0.470   5.118   2.954
  468    QG   ARG  40           QG       ARG  40  -1.357   7.385   2.754
  469    QD   ARG  40           QD       ARG  40  -1.352   7.132   5.018
  470    QH1  ARG  40           QH1      ARG  40  -2.545   6.272   7.572
  471    QH2  ARG  40           QH2      ARG  40  -4.295   3.947   6.176
  472    H    LEU  41           H        LEU  41  -0.934   3.136   0.730
  473    HA   LEU  41           HA       LEU  41   1.682   2.115   0.773
  474   1HB   LEU  41          2HB       LEU  41  -0.956   0.949   0.034
  475   2HB   LEU  41          1HB       LEU  41   0.493   0.106  -0.469
  476    HG   LEU  41           HG       LEU  41   1.192  -0.110   1.880
  477   1HD1  LEU  41          1HD1      LEU  41   0.163   1.866   2.831
  478   2HD1  LEU  41          3HD1      LEU  41  -1.439   1.173   2.568
  479   3HD1  LEU  41          2HD1      LEU  41  -0.322   0.413   3.705
  480   1HD2  LEU  41          2HD2      LEU  41  -1.594  -1.103   1.328
  481   2HD2  LEU  41          1HD2      LEU  41  -0.090  -1.889   0.857
  482   3HD2  LEU  41          3HD2      LEU  41  -0.503  -1.736   2.565
  483    MD1  LEU  41           QD1      LEU  41  -0.533   1.151   3.035
  484    MD2  LEU  41           QD2      LEU  41  -0.729  -1.576   1.583
  485    QB   LEU  41           QB       LEU  41  -0.231   0.527  -0.217
  486    QD   LEU  41           QQD      LEU  41  -0.631  -0.213   2.309
  487    H    LEU  42           H        LEU  42  -0.420   2.970  -1.926
  488    HA   LEU  42           HA       LEU  42   1.232   2.147  -4.008
  489   1HB   LEU  42          2HB       LEU  42  -1.049   2.944  -4.332
  490   2HB   LEU  42          1HB       LEU  42  -0.578   4.550  -3.824
  491    HG   LEU  42           HG       LEU  42   0.884   4.714  -5.815
  492   1HD1  LEU  42          1HD1      LEU  42   1.297   2.350  -6.189
  493   2HD1  LEU  42          3HD1      LEU  42  -0.402   2.108  -6.602
  494   3HD1  LEU  42          2HD1      LEU  42   0.623   3.114  -7.626
  495   1HD2  LEU  42          3HD2      LEU  42  -1.364   5.641  -5.823
  496   2HD2  LEU  42          2HD2      LEU  42  -0.921   5.026  -7.413
  497   3HD2  LEU  42          1HD2      LEU  42  -2.009   4.097  -6.376
  498    MD1  LEU  42           QD1      LEU  42   0.506   2.524  -6.806
  499    MD2  LEU  42           QD2      LEU  42  -1.431   4.921  -6.537
  500    QB   LEU  42           QB       LEU  42  -0.814   3.747  -4.078
  501    QD   LEU  42           QQD      LEU  42  -0.463   3.723  -6.671
  502    H    ASN  43           H        ASN  43   1.154   5.181  -2.224
  503    HA   ASN  43           HA       ASN  43   3.287   6.306  -3.707
  504   1HB   ASN  43          2HB       ASN  43   1.826   7.246  -1.279
  505   2HB   ASN  43          1HB       ASN  43   3.323   8.039  -1.764
  506   1HD2  ASN  43          1HD2      ASN  43   0.018   7.402  -2.623
  507   2HD2  ASN  43          2HD2      ASN  43  -0.091   8.578  -3.873
  508    QB   ASN  43           QB       ASN  43   2.574   7.642  -1.522
  509    QD   ASN  43           QD2      ASN  43  -0.037   7.990  -3.248
  510    H    LEU  44           H        LEU  44   3.270   4.134  -1.137
  511    HA   LEU  44           HA       LEU  44   5.778   4.773  -0.034
  512   1HB   LEU  44          2HB       LEU  44   4.232   2.214  -0.137
  513   2HB   LEU  44          1HB       LEU  44   5.771   2.302   0.687
  514    HG   LEU  44           HG       LEU  44   3.225   3.781   1.387
  515   1HD1  LEU  44          2HD1      LEU  44   3.225   1.412   1.975
  516   2HD1  LEU  44          1HD1      LEU  44   4.744   1.625   2.839
  517   3HD1  LEU  44          3HD1      LEU  44   3.285   2.432   3.412
  518   1HD2  LEU  44          3HD2      LEU  44   5.936   3.896   2.721
  519   2HD2  LEU  44          2HD2      LEU  44   5.127   5.221   1.880
  520   3HD2  LEU  44          1HD2      LEU  44   4.449   4.584   3.372
  521    MD1  LEU  44           QD1      LEU  44   3.751   1.823   2.742
  522    MD2  LEU  44           QD2      LEU  44   5.171   4.567   2.658
  523    QB   LEU  44           QB       LEU  44   5.002   2.258   0.275
  524    QD   LEU  44           QQD      LEU  44   4.461   3.195   2.700
  525    H    LEU  45           H        LEU  45   4.902   2.943  -2.894
  526    HA   LEU  45           HA       LEU  45   7.517   1.888  -3.311
  527   1HB   LEU  45          2HB       LEU  45   5.269   2.375  -5.285
  528   2HB   LEU  45          1HB       LEU  45   6.792   1.658  -5.743
  529    HG   LEU  45           HG       LEU  45   6.295  -0.227  -4.138
  530   1HD1  LEU  45          2HD1      LEU  45   4.671   0.874  -2.725
  531   2HD1  LEU  45          1HD1      LEU  45   3.560   1.002  -4.090
  532   3HD1  LEU  45          3HD1      LEU  45   4.002  -0.585  -3.464
  533   1HD2  LEU  45          3HD2      LEU  45   4.364   0.228  -6.396
  534   2HD2  LEU  45          2HD2      LEU  45   5.978  -0.474  -6.511
  535   3HD2  LEU  45          1HD2      LEU  45   4.706  -1.327  -5.639
  536    MD1  LEU  45           QD1      LEU  45   4.078   0.430  -3.427
  537    MD2  LEU  45           QD2      LEU  45   5.016  -0.524  -6.182
  538    QB   LEU  45           QB       LEU  45   6.030   2.016  -5.514
  539    QD   LEU  45           QQD      LEU  45   4.547  -0.047  -4.804
  540    H    ILE  46           H        ILE  46   5.905   4.793  -4.202
  541    HA   ILE  46           HA       ILE  46   7.956   5.887  -5.848
  542    HB   ILE  46           HB       ILE  46   5.530   7.075  -4.478
  543   1HG1  ILE  46          2HG1      ILE  46   4.821   7.565  -6.865
  544   2HG1  ILE  46          1HG1      ILE  46   6.212   6.634  -7.389
  545   1HG2  ILE  46          1HG2      ILE  46   7.141   8.845  -4.402
  546   2HG2  ILE  46          3HG2      ILE  46   7.469   8.661  -6.130
  547   3HG2  ILE  46          2HG2      ILE  46   5.880   9.205  -5.577
  548   1HD1  ILE  46          2HD1      ILE  46   5.275   4.662  -6.267
  549   2HD1  ILE  46          1HD1      ILE  46   3.865   5.611  -5.811
  550   3HD1  ILE  46          3HD1      ILE  46   4.209   5.304  -7.513
  551    MG   ILE  46           QG2      ILE  46   6.830   8.904  -5.370
  552    MD   ILE  46           QD1      ILE  46   4.450   5.192  -6.530
  553    QG   ILE  46           QG1      ILE  46   5.517   7.100  -7.127
  554    H    GLU  47           H        GLU  47   7.101   6.043  -2.496
  555    HA   GLU  47           HA       GLU  47   8.585   8.060  -1.382
  556   1HB   GLU  47          2HB       GLU  47   6.921   6.712  -0.232
  557   2HB   GLU  47          1HB       GLU  47   7.943   5.301  -0.357
  558   1HG   GLU  47          2HG       GLU  47   7.966   6.120   1.881
  559   2HG   GLU  47          1HG       GLU  47   9.551   6.384   1.159
  560    QB   GLU  47           QB       GLU  47   7.432   6.006  -0.294
  561    QG   GLU  47           QG       GLU  47   8.759   6.252   1.520
  562    H    LEU  48           H        LEU  48   9.588   4.659  -1.719
  563    HA   LEU  48           HA       LEU  48  12.126   5.183  -0.612
  564   1HB   LEU  48          2HB       LEU  48  11.029   2.747  -1.958
  565   2HB   LEU  48          1HB       LEU  48  12.723   2.844  -1.554
  566    HG   LEU  48           HG       LEU  48  11.634   1.603   0.159
  567   1HD1  LEU  48          3HD1      LEU  48  13.384   3.123   0.889
  568   2HD1  LEU  48          2HD1      LEU  48  12.166   4.352   1.217
  569   3HD1  LEU  48          1HD1      LEU  48  12.171   2.862   2.147
  570   1HD2  LEU  48          2HD2      LEU  48   9.756   3.934   0.522
  571   2HD2  LEU  48          1HD2      LEU  48   9.334   2.356  -0.145
  572   3HD2  LEU  48          3HD2      LEU  48   9.822   2.499   1.545
  573    MD1  LEU  48           QD1      LEU  48  12.574   3.445   1.418
  574    MD2  LEU  48           QD2      LEU  48   9.637   2.930   0.641
  575    QB   LEU  48           QB       LEU  48  11.876   2.795  -1.756
  576    QD   LEU  48           QQD      LEU  48  11.106   3.188   1.029
  577    H    LYS  49           H        LYS  49  11.142   4.927  -3.965
  578    HA   LYS  49           HA       LYS  49  13.834   4.925  -4.900
  579   1HB   LYS  49          2HB       LYS  49  11.986   4.018  -6.274
  580   2HB   LYS  49          1HB       LYS  49  11.330   5.642  -6.429
  581   1HG   LYS  49          2HG       LYS  49  13.412   6.366  -7.516
  582   2HG   LYS  49          1HG       LYS  49  14.010   4.717  -7.428
  583   1HD   LYS  49          2HD       LYS  49  12.223   3.955  -8.869
  584   2HD   LYS  49          1HD       LYS  49  11.519   5.577  -8.894
  585   1HE   LYS  49          2HE       LYS  49  14.257   4.833  -9.911
  586   2HE   LYS  49          1HE       LYS  49  12.842   5.131 -10.921
  587   1HZ   LYS  49          1HZ       LYS  49  12.789   7.400 -10.064
  588   2HZ   LYS  49          3HZ       LYS  49  14.185   7.136  -9.155
  589   3HZ   LYS  49          2HZ       LYS  49  14.239   7.072 -10.832
  590    QB   LYS  49           QB       LYS  49  11.658   4.830  -6.351
  591    QD   LYS  49           QD       LYS  49  11.871   4.766  -8.881
  592    QG   LYS  49           QG       LYS  49  13.711   5.541  -7.472
  593    QE   LYS  49           QE       LYS  49  13.550   4.982 -10.416
  594    QZ   LYS  49           QZ       LYS  49  13.737   7.203 -10.017
  595    H    THR  50           H        THR  50  11.474   7.426  -4.270
  596    HA   THR  50           HA       THR  50  12.968   9.400  -5.682
  597    HB   THR  50           HB       THR  50  10.641   9.813  -3.794
  598    HG1  THR  50          1HG       THR  50   9.841   8.534  -5.274
  599   1HG2  THR  50          2HG2      THR  50  11.895  11.867  -4.429
  600   2HG2  THR  50          1HG2      THR  50  11.676  11.460  -6.127
  601   3HG2  THR  50          3HG2      THR  50  10.276  11.848  -5.127
  602    MG   THR  50           QG2      THR  50  11.282  11.725  -5.228
  603    H    LYS  51           H        LYS  51  12.778   8.357  -2.308
  604    HA   LYS  51           HA       LYS  51  14.009  10.711  -1.345
  605   1HB   LYS  51          2HB       LYS  51  14.167   9.561   0.783
  606   2HB   LYS  51          1HB       LYS  51  12.547   9.387   0.086
  607   1HG   LYS  51          2HG       LYS  51  13.516   7.091  -0.681
  608   2HG   LYS  51          1HG       LYS  51  14.677   7.377   0.615
  609   1HD   LYS  51          2HD       LYS  51  11.667   7.253   0.838
  610   2HD   LYS  51          1HD       LYS  51  12.855   6.163   1.552
  611   1HE   LYS  51          2HE       LYS  51  13.582   7.830   3.086
  612   2HE   LYS  51          1HE       LYS  51  12.662   9.084   2.256
  613   1HZ   LYS  51          3HZ       LYS  51  11.471   6.767   3.683
  614   2HZ   LYS  51          2HZ       LYS  51  11.557   8.349   4.261
  615   3HZ   LYS  51          1HZ       LYS  51  10.643   8.018   2.892
  616    QB   LYS  51           QB       LYS  51  13.357   9.474   0.434
  617    QD   LYS  51           QD       LYS  51  12.261   6.708   1.195
  618    QG   LYS  51           QG       LYS  51  14.097   7.234  -0.033
  619    QE   LYS  51           QE       LYS  51  13.122   8.457   2.671
  620    QZ   LYS  51           QZ       LYS  51  11.224   7.711   3.612
  621    H    LYS  52           H        LYS  52  15.134   7.619  -2.353
  622    HA   LYS  52           HA       LYS  52  17.163   6.636  -2.738
  623   1HB   LYS  52          2HB       LYS  52  18.839   7.915  -3.964
  624   2HB   LYS  52          1HB       LYS  52  17.230   8.318  -4.532
  625   1HG   LYS  52          2HG       LYS  52  17.330  10.441  -3.376
  626   2HG   LYS  52          1HG       LYS  52  18.874  10.004  -2.647
  627   1HD   LYS  52          2HD       LYS  52  19.219  11.508  -4.534
  628   2HD   LYS  52          1HD       LYS  52  19.894   9.918  -4.881
  629   1HE   LYS  52          2HE       LYS  52  17.925   9.365  -6.223
  630   2HE   LYS  52          1HE       LYS  52  17.218  10.934  -5.836
  631   1HZ   LYS  52          1HZ       LYS  52  19.052  11.992  -6.990
  632   2HZ   LYS  52          3HZ       LYS  52  19.726  10.489  -7.368
  633   3HZ   LYS  52          2HZ       LYS  52  18.233  10.946  -8.002
  634    QB   LYS  52           QB       LYS  52  18.035   8.117  -4.248
  635    QD   LYS  52           QD       LYS  52  19.557  10.713  -4.708
  636    QG   LYS  52           QG       LYS  52  18.102  10.222  -3.011
  637    QE   LYS  52           QE       LYS  52  17.571  10.149  -6.029
  638    QZ   LYS  52           QZ       LYS  52  19.004  11.142  -7.454
  639    H    LYS  53           H        LYS  53  16.832   8.131  -0.050
  640    HA   LYS  53           HA       LYS  53  19.605   8.273   0.731
  641   1HB   LYS  53          2HB       LYS  53  18.751   9.150   2.886
  642   2HB   LYS  53          1HB       LYS  53  18.192  10.051   1.500
  643   1HG   LYS  53          2HG       LYS  53  16.291   9.946   2.786
  644   2HG   LYS  53          1HG       LYS  53  16.050   8.597   1.688
  645   1HD   LYS  53          2HD       LYS  53  15.447   7.905   3.939
  646   2HD   LYS  53          1HD       LYS  53  16.926   7.068   3.468
  647   1HE   LYS  53          2HE       LYS  53  18.259   8.648   4.755
  648   2HE   LYS  53          1HE       LYS  53  16.817   9.572   5.165
  649   1HZ   LYS  53          1HZ       LYS  53  16.012   7.581   6.361
  650   2HZ   LYS  53          3HZ       LYS  53  17.489   6.806   6.027
  651   3HZ   LYS  53          2HZ       LYS  53  17.440   8.201   6.965
  652    QB   LYS  53           QB       LYS  53  18.471   9.600   2.193
  653    QD   LYS  53           QD       LYS  53  16.186   7.486   3.703
  654    QG   LYS  53           QG       LYS  53  16.171   9.272   2.237
  655    QE   LYS  53           QE       LYS  53  17.538   9.110   4.960
  656    QZ   LYS  53           QZ       LYS  53  16.980   7.529   6.451
  657    H    ARG  54           H        ARG  54  17.641   5.851   0.309
  658    HA   ARG  54           HA       ARG  54  18.510   4.362   2.646
  659   1HB   ARG  54          2HB       ARG  54  16.648   3.610   0.402
  660   2HB   ARG  54          1HB       ARG  54  17.292   2.401   1.502
  661   1HG   ARG  54          2HG       ARG  54  15.629   4.794   2.297
  662   2HG   ARG  54          1HG       ARG  54  15.065   3.122   2.192
  663   1HD   ARG  54          2HD       ARG  54  16.707   2.481   3.929
  664   2HD   ARG  54          1HD       ARG  54  17.209   4.160   4.057
  665    HE   ARG  54           HE       ARG  54  14.413   3.759   4.471
  666   1HH1  ARG  54          1HH1      ARG  54  17.590   3.985   6.065
  667   2HH1  ARG  54          2HH1      ARG  54  16.965   4.081   7.631
  668   1HH2  ARG  54          1HH2      ARG  54  13.542   3.938   6.653
  669   2HH2  ARG  54          2HH2      ARG  54  14.608   4.083   7.965
  670    QB   ARG  54           QB       ARG  54  16.970   3.006   0.952
  671    QG   ARG  54           QG       ARG  54  15.347   3.958   2.244
  672    QD   ARG  54           QD       ARG  54  16.958   3.320   3.993
  673    QH1  ARG  54           QH1      ARG  54  17.277   4.033   6.848
  674    QH2  ARG  54           QH2      ARG  54  14.075   4.010   7.309
  675    H    TYR  55           H        TYR  55  19.855   2.832   2.743
  676    HA   TYR  55           HA       TYR  55  22.294   3.136   1.755
  677   1HB   TYR  55          2HB       TYR  55  21.179   0.434   2.466
  678   2HB   TYR  55          1HB       TYR  55  22.844   0.982   2.627
  679    HD1  TYR  55          1HD       TYR  55  23.463   2.563   4.434
  680    HD2  TYR  55          2HD       TYR  55  19.507   1.043   4.072
  681    HE1  TYR  55          1HE       TYR  55  22.951   3.331   6.726
  682    HE2  TYR  55          2HE       TYR  55  18.989   1.798   6.338
  683    HH   TYR  55           HH       TYR  55  20.971   3.928   8.041
  684    QB   TYR  55           QB       TYR  55  22.011   0.708   2.546
  685    QD   TYR  55           QD       TYR  55  21.485   1.803   4.253
  686    QE   TYR  55           QE       TYR  55  20.970   2.565   6.532
  687    QR   TYR  55           QR       TYR  55  21.227   2.184   5.393
  688    H    SER  56           H        SER  56  19.886   0.984   0.320
  689    HA   SER  56           HA       SER  56  21.374  -0.482  -1.426
  690   1HB   SER  56          2HB       SER  56  18.619   0.618  -1.943
  691   2HB   SER  56          1HB       SER  56  19.309  -0.873  -2.588
  692    HG   SER  56           HG       SER  56  18.458  -1.740  -0.922
  693    QB   SER  56           QB       SER  56  18.964  -0.127  -2.266
  694    H    LEU  57           H        LEU  57  20.294   2.858  -1.866
  695    HA   LEU  57           HA       LEU  57  21.070   2.801  -4.647
  696   1HB   LEU  57          2HB       LEU  57  20.038   5.126  -3.013
  697   2HB   LEU  57          1HB       LEU  57  20.368   5.184  -4.729
  698    HG   LEU  57           HG       LEU  57  18.627   3.223  -4.817
  699   1HD1  LEU  57          3HD1      LEU  57  17.797   4.535  -2.264
  700   2HD1  LEU  57          2HD1      LEU  57  16.819   3.422  -3.223
  701   3HD1  LEU  57          1HD1      LEU  57  18.336   2.873  -2.505
  702   1HD2  LEU  57          3HD2      LEU  57  17.877   6.114  -4.494
  703   2HD2  LEU  57          2HD2      LEU  57  18.316   5.275  -5.973
  704   3HD2  LEU  57          1HD2      LEU  57  16.816   4.864  -5.148
  705    MD1  LEU  57           QD1      LEU  57  17.651   3.610  -2.664
  706    MD2  LEU  57           QD2      LEU  57  17.670   5.418  -5.205
  707    QB   LEU  57           QB       LEU  57  20.203   5.155  -3.871
  708    QD   LEU  57           QQD      LEU  57  17.660   4.514  -3.935
  709    H    LEU  58           H        LEU  58  22.489   3.597  -1.659
  710    HA   LEU  58           HA       LEU  58  24.526   5.306  -2.843
  711   1HB   LEU  58          2HB       LEU  58  24.215   4.305  -0.007
  712   2HB   LEU  58          1HB       LEU  58  25.524   5.327  -0.544
  713    HG   LEU  58           HG       LEU  58  24.024   6.703   0.619
  714   1HD1  LEU  58          2HD1      LEU  58  24.892   7.727  -1.365
  715   2HD1  LEU  58          1HD1      LEU  58  23.526   7.128  -2.309
  716   3HD1  LEU  58          3HD1      LEU  58  23.263   8.318  -1.034
  717   1HD2  LEU  58          2HD2      LEU  58  22.077   5.232   0.608
  718   2HD2  LEU  58          1HD2      LEU  58  21.632   6.878   0.136
  719   3HD2  LEU  58          3HD2      LEU  58  21.792   5.616  -1.083
  720    MD1  LEU  58           QD1      LEU  58  23.894   7.724  -1.570
  721    MD2  LEU  58           QD2      LEU  58  21.834   5.908  -0.113
  722    QB   LEU  58           QB       LEU  58  24.870   4.816  -0.275
  723    QD   LEU  58           QQD      LEU  58  22.864   6.816  -0.841
  724    H    GLU  59           H        GLU  59  23.947   2.059  -2.210
  725    HA   GLU  59           HA       GLU  59  26.616   1.177  -1.901
  726   1HB   GLU  59          2HB       GLU  59  24.116  -0.303  -2.680
  727   2HB   GLU  59          1HB       GLU  59  25.658  -1.093  -2.386
  728   1HG   GLU  59          2HG       GLU  59  25.656  -0.205  -0.099
  729   2HG   GLU  59          1HG       GLU  59  24.090   0.541  -0.408
  730    QB   GLU  59           QB       GLU  59  24.887  -0.698  -2.533
  731    QG   GLU  59           QG       GLU  59  24.873   0.168  -0.253
  732    H    HIS  60           H        HIS  60  25.007   2.324  -4.563
  733    HA   HIS  60           HA       HIS  60  26.778   0.954  -6.429
  734   1HB   HIS  60          2HB       HIS  60  24.628   3.041  -6.958
  735   2HB   HIS  60          1HB       HIS  60  25.577   2.232  -8.202
  736    HD1  HIS  60          1HD       HIS  60  22.314   2.106  -7.050
  737    HD2  HIS  60          2HD       HIS  60  25.219  -0.814  -7.600
  738    HE1  HIS  60          1HE       HIS  60  21.084  -0.089  -7.196
  739    QB   HIS  60           QB       HIS  60  25.103   2.636  -7.580
  740    H    HIS  61           H        HIS  61  28.739   1.701  -6.017
  741    HA   HIS  61           HA       HIS  61  29.168   4.450  -5.385
  742   1HB   HIS  61          2HB       HIS  61  31.024   2.084  -5.536
  743   2HB   HIS  61          1HB       HIS  61  31.616   3.721  -5.284
  744    HD1  HIS  61          1HD       HIS  61  31.887   4.315  -2.860
  745    HD2  HIS  61          2HD       HIS  61  29.000   1.381  -3.446
  746    HE1  HIS  61          1HE       HIS  61  31.072   3.673  -0.575
  747    QB   HIS  61           QB       HIS  61  31.320   2.903  -5.410
  748    H    HIS  62           H        HIS  62  31.064   5.517  -6.362
  749    HA   HIS  62           HA       HIS  62  32.112   6.528  -8.021
  750   1HB   HIS  62          2HB       HIS  62  31.377   4.125  -9.701
  751   2HB   HIS  62          1HB       HIS  62  32.364   5.452 -10.287
  752    HD1  HIS  62          1HD       HIS  62  34.800   5.690  -9.060
  753    HD2  HIS  62          2HD       HIS  62  32.655   2.211  -8.275
  754    HE1  HIS  62          1HE       HIS  62  36.453   4.049  -8.156
  755    QB   HIS  62           QB       HIS  62  31.871   4.788  -9.994
  756    H    HIS  63           H        HIS  63  31.797   7.563 -10.137
  757    HA   HIS  63           HA       HIS  63  29.039   8.534 -10.229
  758   1HB   HIS  63          2HB       HIS  63  31.587   9.817 -11.282
  759   2HB   HIS  63          1HB       HIS  63  29.996  10.567 -11.237
  760    HD1  HIS  63          1HD       HIS  63  33.041  10.056  -9.188
  761    HD2  HIS  63          2HD       HIS  63  29.073  11.145  -8.565
  762    HE1  HIS  63          1HE       HIS  63  32.940  11.037  -6.890
  763    QB   HIS  63           QB       HIS  63  30.791  10.192 -11.259
  764    H    HIS  64           H        HIS  64  30.369   6.231 -11.429
  765    HA   HIS  64           HA       HIS  64  29.800   6.716 -14.260
  766   1HB   HIS  64          2HB       HIS  64  32.138   5.975 -13.760
  767   2HB   HIS  64          1HB       HIS  64  31.496   4.529 -13.000
  768    HD1  HIS  64          1HD       HIS  64  32.024   6.096 -16.398
  769    HD2  HIS  64          2HD       HIS  64  30.775   2.511 -14.719
  770    HE1  HIS  64          1HE       HIS  64  31.955   4.437 -18.280
  771    QB   HIS  64           QB       HIS  64  31.817   5.252 -13.380

  No H/Q in entry =         771
  Start of MODEL   16
    1    H1   MET   1          1HT       MET   1  13.655  -7.278   2.124
    2    H2   MET   1          3HT       MET   1  14.556  -8.527   1.438
    3    H3   MET   1          2HT       MET   1  15.277  -7.464   2.509
    4    HA   MET   1           HA       MET   1  15.019  -5.646   1.050
    5   1HB   MET   1          2HB       MET   1  17.087  -6.862   0.838
    6   2HB   MET   1          1HB       MET   1  16.329  -8.080  -0.174
    7   1HG   MET   1          2HG       MET   1  16.023  -6.438  -1.945
    8   2HG   MET   1          1HG       MET   1  16.734  -5.194  -0.924
    9   1HE   MET   1          3HE       MET   1  18.230  -4.705  -3.063
   10   2HE   MET   1          2HE       MET   1  19.376  -5.850  -3.766
   11   3HE   MET   1          1HE       MET   1  17.638  -6.102  -3.945
   12    QB   MET   1           QB       MET   1  16.708  -7.471   0.332
   13    QG   MET   1           QG       MET   1  16.379  -5.816  -1.434
   14    ME   MET   1           QE       MET   1  18.415  -5.552  -3.591
   15    H    ASN   2           H        ASN   2  13.570  -8.617  -0.263
   16    HA   ASN   2           HA       ASN   2  12.894  -7.733  -2.790
   17   1HB   ASN   2          2HB       ASN   2  11.489  -9.738  -1.034
   18   2HB   ASN   2          1HB       ASN   2  11.068  -9.463  -2.717
   19   1HD2  ASN   2          1HD2      ASN   2  12.014 -11.855  -1.444
   20   2HD2  ASN   2          2HD2      ASN   2  13.459 -12.314  -2.246
   21    QB   ASN   2           QB       ASN   2  11.279  -9.601  -1.875
   22    QD   ASN   2           QD2      ASN   2  12.736 -12.084  -1.845
   23    H    VAL   3           H        VAL   3  11.901  -5.944  -3.260
   24    HA   VAL   3           HA       VAL   3   9.884  -4.707  -1.663
   25    HB   VAL   3           HB       VAL   3   9.632  -3.119  -3.526
   26   1HG1  VAL   3          1HG1      VAL   3  12.488  -3.741  -2.770
   27   2HG1  VAL   3          3HG1      VAL   3  11.940  -2.213  -3.462
   28   3HG1  VAL   3          2HG1      VAL   3  11.363  -2.717  -1.873
   29   1HG2  VAL   3          3HG2      VAL   3   9.961  -4.642  -5.397
   30   2HG2  VAL   3          2HG2      VAL   3  11.097  -3.291  -5.511
   31   3HG2  VAL   3          1HG2      VAL   3  11.645  -4.870  -4.944
   32    MG1  VAL   3           QG1      VAL   3  11.930  -2.890  -2.702
   33    MG2  VAL   3           QG2      VAL   3  10.901  -4.267  -5.284
   34    QG   VAL   3           QQG      VAL   3  11.416  -3.579  -3.993
   35    H    THR   4           H        THR   4   9.747  -7.126  -3.960
   36    HA   THR   4           HA       THR   4   7.332  -6.593  -5.258
   37    HB   THR   4           HB       THR   4   9.000  -8.238  -6.055
   38    HG1  THR   4          1HG       THR   4   7.453  -8.984  -7.188
   39   1HG2  THR   4          2HG2      THR   4   9.512  -9.319  -3.962
   40   2HG2  THR   4          1HG2      THR   4   7.893 -10.020  -3.889
   41   3HG2  THR   4          3HG2      THR   4   9.021 -10.525  -5.159
   42    MG   THR   4           QG2      THR   4   8.809  -9.955  -4.337
   43    H    LYS   5           H        LYS   5   7.877  -7.903  -2.091
   44    HA   LYS   5           HA       LYS   5   5.326  -9.033  -1.651
   45   1HB   LYS   5          2HB       LYS   5   5.804  -8.803   0.773
   46   2HB   LYS   5          1HB       LYS   5   7.105  -9.570  -0.101
   47   1HG   LYS   5          2HG       LYS   5   8.343  -7.436  -0.081
   48   2HG   LYS   5          1HG       LYS   5   7.033  -6.719   0.859
   49   1HD   LYS   5          2HD       LYS   5   7.408  -8.316   2.652
   50   2HD   LYS   5          1HD       LYS   5   8.658  -9.114   1.700
   51   1HE   LYS   5          2HE       LYS   5   9.667  -7.653   3.363
   52   2HE   LYS   5          1HE       LYS   5   9.994  -7.056   1.737
   53   1HZ   LYS   5          1HZ       LYS   5   7.898  -5.984   3.569
   54   2HZ   LYS   5          3HZ       LYS   5   9.383  -5.282   3.249
   55   3HZ   LYS   5          2HZ       LYS   5   8.238  -5.394   2.042
   56    QB   LYS   5           QB       LYS   5   6.455  -9.186   0.336
   57    QD   LYS   5           QD       LYS   5   8.033  -8.715   2.176
   58    QG   LYS   5           QG       LYS   5   7.688  -7.077   0.389
   59    QE   LYS   5           QE       LYS   5   9.831  -7.354   2.550
   60    QZ   LYS   5           QZ       LYS   5   8.506  -5.553   2.953
   61    H    LEU   6           H        LEU   6   6.512  -5.735  -1.347
   62    HA   LEU   6           HA       LEU   6   4.224  -4.747   0.004
   63   1HB   LEU   6          2HB       LEU   6   6.435  -3.632   0.028
   64   2HB   LEU   6          1HB       LEU   6   6.264  -3.310  -1.686
   65    HG   LEU   6           HG       LEU   6   4.372  -1.804  -1.219
   66   1HD1  LEU   6          3HD1      LEU   6   4.988  -2.371   1.677
   67   2HD1  LEU   6          2HD1      LEU   6   3.867  -1.147   1.081
   68   3HD1  LEU   6          1HD1      LEU   6   3.529  -2.857   0.814
   69   1HD2  LEU   6          1HD2      LEU   6   6.643  -0.915  -1.336
   70   2HD2  LEU   6          3HD2      LEU   6   5.660  -0.021  -0.179
   71   3HD2  LEU   6          2HD2      LEU   6   6.848  -1.194   0.393
   72    MD1  LEU   6           QD1      LEU   6   4.128  -2.125   1.191
   73    MD2  LEU   6           QD2      LEU   6   6.383  -0.710  -0.374
   74    QB   LEU   6           QB       LEU   6   6.350  -3.471  -0.829
   75    QD   LEU   6           QQD      LEU   6   5.256  -1.417   0.408
   76    H    ASN   7           H        ASN   7   5.301  -4.894  -3.314
   77    HA   ASN   7           HA       ASN   7   3.285  -3.487  -4.611
   78   1HB   ASN   7          2HB       ASN   7   5.359  -4.290  -5.703
   79   2HB   ASN   7          1HB       ASN   7   4.751  -5.937  -5.621
   80   1HD2  ASN   7          1HD2      ASN   7   4.587  -2.904  -7.264
   81   2HD2  ASN   7          2HD2      ASN   7   3.577  -3.423  -8.556
   82    QB   ASN   7           QB       ASN   7   5.055  -5.114  -5.662
   83    QD   ASN   7           QD2      ASN   7   4.082  -3.164  -7.910
   84    H    ASP   8           H        ASP   8   3.443  -6.846  -3.614
   85    HA   ASP   8           HA       ASP   8   0.981  -7.683  -4.794
   86   1HB   ASP   8          2HB       ASP   8   2.674  -9.339  -4.338
   87   2HB   ASP   8          1HB       ASP   8   2.675  -8.930  -2.630
   88    QB   ASP   8           QB       ASP   8   2.675  -9.134  -3.484
   89    H    ARG   9           H        ARG   9   1.881  -6.659  -1.562
   90    HA   ARG   9           HA       ARG   9  -0.639  -7.174  -0.413
   91   1HB   ARG   9          2HB       ARG   9   1.575  -5.333   0.488
   92   2HB   ARG   9          1HB       ARG   9   0.148  -5.693   1.456
   93   1HG   ARG   9          2HG       ARG   9   0.720  -8.055   1.459
   94   2HG   ARG   9          1HG       ARG   9   2.117  -7.724   0.445
   95   1HD   ARG   9          2HD       ARG   9   3.103  -6.398   2.225
   96   2HD   ARG   9          1HD       ARG   9   1.680  -6.675   3.236
   97    HE   ARG   9           HE       ARG   9   2.605  -9.146   2.421
   98   1HH1  ARG   9          1HH1      ARG   9   3.886  -6.505   4.410
   99   2HH1  ARG   9          2HH1      ARG   9   4.738  -7.528   5.454
  100   1HH2  ARG   9          1HH2      ARG   9   3.754 -10.524   3.837
  101   2HH2  ARG   9          2HH2      ARG   9   4.662  -9.895   5.136
  102    QB   ARG   9           QB       ARG   9   0.861  -5.513   0.972
  103    QG   ARG   9           QG       ARG   9   1.419  -7.890   0.952
  104    QD   ARG   9           QD       ARG   9   2.391  -6.536   2.730
  105    QH1  ARG   9           QH1      ARG   9   4.312  -7.016   4.932
  106    QH2  ARG   9           QH2      ARG   9   4.208 -10.210   4.486
  107    H    ILE  10           H        ILE  10   0.619  -4.454  -2.141
  108    HA   ILE  10           HA       ILE  10  -1.451  -2.605  -1.656
  109    HB   ILE  10           HB       ILE  10   0.217  -3.009  -4.158
  110   1HG1  ILE  10          2HG1      ILE  10   0.518  -0.984  -1.951
  111   2HG1  ILE  10          1HG1      ILE  10   1.453  -2.475  -2.045
  112   1HG2  ILE  10          3HG2      ILE  10  -1.820  -1.758  -4.691
  113   2HG2  ILE  10          2HG2      ILE  10  -1.494  -0.640  -3.373
  114   3HG2  ILE  10          1HG2      ILE  10  -0.412  -0.699  -4.764
  115   1HD1  ILE  10          3HD1      ILE  10   1.435  -0.279  -4.086
  116   2HD1  ILE  10          2HD1      ILE  10   2.683  -0.531  -2.859
  117   3HD1  ILE  10          1HD1      ILE  10   2.424  -1.730  -4.128
  118    MG   ILE  10           QG2      ILE  10  -1.242  -1.032  -4.276
  119    MD   ILE  10           QD1      ILE  10   2.181  -0.846  -3.691
  120    QG   ILE  10           QG1      ILE  10   0.986  -1.730  -1.998
  121    H    GLU  11           H        GLU  11  -0.995  -4.981  -4.260
  122    HA   GLU  11           HA       GLU  11  -3.414  -4.491  -5.546
  123   1HB   GLU  11          2HB       GLU  11  -1.744  -6.984  -5.539
  124   2HB   GLU  11          1HB       GLU  11  -3.118  -6.727  -6.601
  125   1HG   GLU  11          2HG       GLU  11  -0.522  -5.216  -6.534
  126   2HG   GLU  11          1HG       GLU  11  -1.154  -6.224  -7.835
  127    QB   GLU  11           QB       GLU  11  -2.431  -6.855  -6.070
  128    QG   GLU  11           QG       GLU  11  -0.838  -5.720  -7.184
  129    H    ALA  12           H        ALA  12  -2.623  -6.812  -3.052
  130    HA   ALA  12           HA       ALA  12  -5.132  -8.060  -2.942
  131   1HB   ALA  12          2HB       ALA  12  -3.116  -8.928  -1.843
  132   2HB   ALA  12          3HB       ALA  12  -4.477  -8.816  -0.725
  133   3HB   ALA  12          1HB       ALA  12  -3.191  -7.610  -0.678
  134    MB   ALA  12           QB       ALA  12  -3.595  -8.451  -1.082
  135    H    LYS  13           H        LYS  13  -3.949  -5.086  -1.494
  136    HA   LYS  13           HA       LYS  13  -6.128  -4.691   0.304
  137   1HB   LYS  13          2HB       LYS  13  -3.933  -3.596   0.628
  138   2HB   LYS  13          1HB       LYS  13  -4.167  -2.681  -0.838
  139   1HG   LYS  13          2HG       LYS  13  -4.756  -1.098   0.706
  140   2HG   LYS  13          1HG       LYS  13  -6.330  -1.836   0.449
  141   1HD   LYS  13          2HD       LYS  13  -4.423  -2.457   2.723
  142   2HD   LYS  13          1HD       LYS  13  -5.858  -1.451   2.840
  143   1HE   LYS  13          2HE       LYS  13  -7.243  -3.432   2.293
  144   2HE   LYS  13          1HE       LYS  13  -5.773  -4.404   2.225
  145   1HZ   LYS  13          2HZ       LYS  13  -5.375  -3.878   4.566
  146   2HZ   LYS  13          1HZ       LYS  13  -6.802  -2.992   4.630
  147   3HZ   LYS  13          3HZ       LYS  13  -6.843  -4.639   4.349
  148    QB   LYS  13           QB       LYS  13  -4.050  -3.138  -0.105
  149    QD   LYS  13           QD       LYS  13  -5.140  -1.954   2.781
  150    QG   LYS  13           QG       LYS  13  -5.543  -1.467   0.578
  151    QE   LYS  13           QE       LYS  13  -6.508  -3.918   2.259
  152    QZ   LYS  13           QZ       LYS  13  -6.340  -3.836   4.515
  153    H    LYS  14           H        LYS  14  -5.354  -3.471  -2.909
  154    HA   LYS  14           HA       LYS  14  -7.733  -1.946  -3.067
  155   1HB   LYS  14          2HB       LYS  14  -7.177  -1.780  -5.569
  156   2HB   LYS  14          1HB       LYS  14  -6.048  -1.077  -4.430
  157   1HG   LYS  14          2HG       LYS  14  -4.818  -3.325  -4.604
  158   2HG   LYS  14          1HG       LYS  14  -5.783  -3.566  -6.060
  159   1HD   LYS  14          2HD       LYS  14  -4.103  -1.103  -5.600
  160   2HD   LYS  14          1HD       LYS  14  -3.467  -2.551  -6.359
  161   1HE   LYS  14          2HE       LYS  14  -5.813  -0.945  -7.353
  162   2HE   LYS  14          1HE       LYS  14  -4.157  -0.848  -7.961
  163   1HZ   LYS  14          3HZ       LYS  14  -4.343  -3.278  -8.498
  164   2HZ   LYS  14          2HZ       LYS  14  -5.982  -3.170  -8.098
  165   3HZ   LYS  14          1HZ       LYS  14  -5.418  -2.304  -9.384
  166    QB   LYS  14           QB       LYS  14  -6.613  -1.429  -5.000
  167    QD   LYS  14           QD       LYS  14  -3.785  -1.827  -5.980
  168    QG   LYS  14           QG       LYS  14  -5.300  -3.446  -5.332
  169    QE   LYS  14           QE       LYS  14  -4.985  -0.896  -7.657
  170    QZ   LYS  14           QZ       LYS  14  -5.248  -2.917  -8.660
  171    H    LYS  15           H        LYS  15  -7.003  -5.237  -4.032
  172    HA   LYS  15           HA       LYS  15  -9.438  -5.637  -5.416
  173   1HB   LYS  15          2HB       LYS  15  -7.700  -7.626  -3.944
  174   2HB   LYS  15          1HB       LYS  15  -9.095  -8.077  -4.911
  175   1HG   LYS  15          2HG       LYS  15  -8.017  -7.055  -6.885
  176   2HG   LYS  15          1HG       LYS  15  -6.604  -6.706  -5.895
  177   1HD   LYS  15          2HD       LYS  15  -6.246  -8.735  -7.199
  178   2HD   LYS  15          1HD       LYS  15  -6.321  -9.116  -5.481
  179   1HE   LYS  15          2HE       LYS  15  -8.560  -9.950  -5.682
  180   2HE   LYS  15          1HE       LYS  15  -8.691  -9.346  -7.329
  181   1HZ   LYS  15          1HZ       LYS  15  -6.803 -11.474  -6.469
  182   2HZ   LYS  15          3HZ       LYS  15  -8.306 -11.740  -7.174
  183   3HZ   LYS  15          2HZ       LYS  15  -7.118 -10.952  -8.055
  184    QB   LYS  15           QB       LYS  15  -8.397  -7.852  -4.428
  185    QD   LYS  15           QD       LYS  15  -6.284  -8.926  -6.340
  186    QG   LYS  15           QG       LYS  15  -7.310  -6.881  -6.390
  187    QE   LYS  15           QE       LYS  15  -8.625  -9.648  -6.506
  188    QZ   LYS  15           QZ       LYS  15  -7.409 -11.389  -7.233
  189    H    GLU  16           H        GLU  16  -8.550  -5.991  -2.044
  190    HA   GLU  16           HA       GLU  16 -10.987  -6.896  -1.001
  191   1HB   GLU  16          2HB       GLU  16  -8.832  -6.799   0.237
  192   2HB   GLU  16          1HB       GLU  16  -8.910  -5.049   0.207
  193   1HG   GLU  16          2HG       GLU  16  -9.519  -5.863   2.387
  194   2HG   GLU  16          1HG       GLU  16 -10.924  -5.136   1.611
  195    QB   GLU  16           QB       GLU  16  -8.871  -5.924   0.222
  196    QG   GLU  16           QG       GLU  16 -10.222  -5.500   1.999
  197    H    LEU  17           H        LEU  17  -9.687  -3.655  -1.529
  198    HA   LEU  17           HA       LEU  17 -11.831  -2.174  -0.540
  199   1HB   LEU  17          2HB       LEU  17  -9.591  -1.247  -0.967
  200   2HB   LEU  17          1HB       LEU  17  -9.863  -1.398  -2.687
  201    HG   LEU  17           HG       LEU  17 -11.650   0.284  -2.563
  202   1HD1  LEU  17          2HD1      LEU  17 -10.879   0.473   0.343
  203   2HD1  LEU  17          1HD1      LEU  17 -11.956   1.582  -0.507
  204   3HD1  LEU  17          3HD1      LEU  17 -12.421  -0.104  -0.292
  205   1HD2  LEU  17          2HD2      LEU  17  -9.057   1.154  -1.304
  206   2HD2  LEU  17          1HD2      LEU  17  -9.364   1.000  -3.036
  207   3HD2  LEU  17          3HD2      LEU  17 -10.225   2.214  -2.089
  208    MD1  LEU  17           QD1      LEU  17 -11.752   0.650  -0.152
  209    MD2  LEU  17           QD2      LEU  17  -9.549   1.456  -2.143
  210    QB   LEU  17           QB       LEU  17  -9.727  -1.322  -1.827
  211    QD   LEU  17           QQD      LEU  17 -10.650   1.053  -1.147
  212    H    ILE  18           H        ILE  18 -11.222  -3.321  -3.854
  213    HA   ILE  18           HA       ILE  18 -13.353  -2.130  -5.186
  214    HB   ILE  18           HB       ILE  18 -12.130  -4.880  -5.601
  215   1HG1  ILE  18          2HG1      ILE  18 -11.751  -2.291  -7.127
  216   2HG1  ILE  18          1HG1      ILE  18 -10.627  -2.955  -5.947
  217   1HG2  ILE  18          3HG2      ILE  18 -14.379  -4.910  -6.556
  218   2HG2  ILE  18          2HG2      ILE  18 -14.015  -3.449  -7.476
  219   3HG2  ILE  18          1HG2      ILE  18 -13.154  -4.941  -7.827
  220   1HD1  ILE  18          1HD1      ILE  18 -11.391  -4.235  -8.564
  221   2HD1  ILE  18          3HD1      ILE  18  -9.893  -3.367  -8.234
  222   3HD1  ILE  18          2HD1      ILE  18 -10.238  -4.881  -7.397
  223    MG   ILE  18           QG2      ILE  18 -13.849  -4.434  -7.286
  224    MD   ILE  18           QD1      ILE  18 -10.507  -4.161  -8.065
  225    QG   ILE  18           QG1      ILE  18 -11.189  -2.623  -6.537
  226    H    TYR  19           H        TYR  19 -13.276  -5.118  -3.383
  227    HA   TYR  19           HA       TYR  19 -15.972  -5.885  -3.781
  228   1HB   TYR  19          2HB       TYR  19 -14.194  -7.462  -3.204
  229   2HB   TYR  19          1HB       TYR  19 -13.945  -6.653  -1.670
  230    HD1  TYR  19          1HD       TYR  19 -16.168  -8.853  -3.601
  231    HD2  TYR  19          2HD       TYR  19 -15.405  -7.092   0.187
  232    HE1  TYR  19          1HE       TYR  19 -17.738 -10.431  -2.553
  233    HE2  TYR  19          2HE       TYR  19 -16.964  -8.646   1.240
  234    HH   TYR  19           HH       TYR  19 -18.074 -11.402  -0.314
  235    QB   TYR  19           QB       TYR  19 -14.069  -7.058  -2.437
  236    QD   TYR  19           QD       TYR  19 -15.787  -7.972  -1.707
  237    QE   TYR  19           QE       TYR  19 -17.351  -9.538  -0.656
  238    QR   TYR  19           QR       TYR  19 -16.569  -8.755  -1.182
  239    H    LEU  20           H        LEU  20 -14.285  -4.099  -1.273
  240    HA   LEU  20           HA       LEU  20 -16.457  -3.849   0.498
  241   1HB   LEU  20          2HB       LEU  20 -13.993  -2.149   0.188
  242   2HB   LEU  20          1HB       LEU  20 -15.132  -1.988   1.510
  243    HG   LEU  20           HG       LEU  20 -13.540  -4.482   0.912
  244   1HD1  LEU  20          1HD1      LEU  20 -13.142  -2.389   3.024
  245   2HD1  LEU  20          3HD1      LEU  20 -12.280  -3.921   2.915
  246   3HD1  LEU  20          2HD1      LEU  20 -12.083  -2.711   1.649
  247   1HD2  LEU  20          1HD2      LEU  20 -15.350  -3.756   3.207
  248   2HD2  LEU  20          3HD2      LEU  20 -15.629  -5.012   1.997
  249   3HD2  LEU  20          2HD2      LEU  20 -14.308  -5.172   3.150
  250    MD1  LEU  20           QD1      LEU  20 -12.502  -3.007   2.529
  251    MD2  LEU  20           QD2      LEU  20 -15.096  -4.647   2.785
  252    QB   LEU  20           QB       LEU  20 -14.562  -2.069   0.849
  253    QD   LEU  20           QQD      LEU  20 -13.799  -3.827   2.657
  254    H    VAL  21           H        VAL  21 -15.445  -1.860  -2.211
  255    HA   VAL  21           HA       VAL  21 -17.339   0.207  -1.751
  256    HB   VAL  21           HB       VAL  21 -16.186  -0.644  -4.443
  257   1HG1  VAL  21          3HG1      VAL  21 -17.465   1.969  -3.604
  258   2HG1  VAL  21          2HG1      VAL  21 -16.714   1.661  -5.170
  259   3HG1  VAL  21          1HG1      VAL  21 -18.161   0.773  -4.692
  260   1HG2  VAL  21          3HG2      VAL  21 -15.209   1.458  -2.510
  261   2HG2  VAL  21          2HG2      VAL  21 -14.407  -0.069  -2.882
  262   3HG2  VAL  21          1HG2      VAL  21 -14.560   1.172  -4.124
  263    MG1  VAL  21           QG1      VAL  21 -17.447   1.467  -4.489
  264    MG2  VAL  21           QG2      VAL  21 -14.725   0.854  -3.172
  265    QG   VAL  21           QQG      VAL  21 -16.086   1.160  -3.830
  266    H    GLU  22           H        GLU  22 -17.534  -2.885  -3.340
  267    HA   GLU  22           HA       GLU  22 -20.145  -2.508  -4.370
  268   1HB   GLU  22          2HB       GLU  22 -18.673  -5.042  -3.674
  269   2HB   GLU  22          1HB       GLU  22 -20.189  -4.974  -4.570
  270   1HG   GLU  22          2HG       GLU  22 -17.657  -3.623  -5.461
  271   2HG   GLU  22          1HG       GLU  22 -18.160  -5.230  -5.974
  272    QB   GLU  22           QB       GLU  22 -19.431  -5.008  -4.122
  273    QG   GLU  22           QG       GLU  22 -17.908  -4.426  -5.717
  274    H    LYS  23           H        LYS  23 -18.943  -3.659  -1.297
  275    HA   LYS  23           HA       LYS  23 -21.581  -4.433  -0.410
  276   1HB   LYS  23          2HB       LYS  23 -19.019  -4.275   1.163
  277   2HB   LYS  23          1HB       LYS  23 -20.516  -4.983   1.742
  278   1HG   LYS  23          2HG       LYS  23 -18.822  -5.973  -0.549
  279   2HG   LYS  23          1HG       LYS  23 -18.987  -6.716   1.039
  280   1HD   LYS  23          2HD       LYS  23 -21.220  -6.386  -0.981
  281   2HD   LYS  23          1HD       LYS  23 -20.303  -7.861  -0.702
  282   1HE   LYS  23          2HE       LYS  23 -21.139  -7.935   1.616
  283   2HE   LYS  23          1HE       LYS  23 -22.047  -6.450   1.316
  284   1HZ   LYS  23          1HZ       LYS  23 -22.459  -8.996  -0.150
  285   2HZ   LYS  23          3HZ       LYS  23 -23.430  -8.456   1.114
  286   3HZ   LYS  23          2HZ       LYS  23 -23.362  -7.588  -0.317
  287    QB   LYS  23           QB       LYS  23 -19.767  -4.629   1.452
  288    QD   LYS  23           QD       LYS  23 -20.762  -7.123  -0.841
  289    QG   LYS  23           QG       LYS  23 -18.905  -6.344   0.245
  290    QE   LYS  23           QE       LYS  23 -21.593  -7.192   1.466
  291    QZ   LYS  23           QZ       LYS  23 -23.084  -8.347   0.216
  292    H    TYR  24           H        TYR  24 -19.347  -1.831   0.511
  293    HA   TYR  24           HA       TYR  24 -21.444  -0.666   2.162
  294   1HB   TYR  24          2HB       TYR  24 -18.608   0.225   1.647
  295   2HB   TYR  24          1HB       TYR  24 -19.731   1.042   2.724
  296    HD1  TYR  24          1HD       TYR  24 -20.826  -0.727   4.507
  297    HD2  TYR  24          2HD       TYR  24 -17.023  -1.054   2.632
  298    HE1  TYR  24          1HE       TYR  24 -20.029  -2.111   6.371
  299    HE2  TYR  24          2HE       TYR  24 -16.227  -2.444   4.494
  300    HH   TYR  24           HH       TYR  24 -18.247  -3.846   6.714
  301    QB   TYR  24           QB       TYR  24 -19.169   0.633   2.185
  302    QD   TYR  24           QD       TYR  24 -18.925  -0.890   3.569
  303    QE   TYR  24           QE       TYR  24 -18.128  -2.277   5.432
  304    QR   TYR  24           QR       TYR  24 -18.526  -1.584   4.501
  305    H    GLY  25           H        GLY  25 -19.508   0.145  -0.650
  306   1HA   GLY  25          1HA       GLY  25 -21.639   1.943  -1.505
  307   2HA   GLY  25          2HA       GLY  25 -20.364   1.275  -2.514
  308    QA   GLY  25           QA       GLY  25 -21.002   1.609  -2.010
  309    H    PHE  26           H        PHE  26 -21.447   3.981  -1.243
  310    HA   PHE  26           HA       PHE  26 -18.790   5.177  -1.084
  311   1HB   PHE  26          2HB       PHE  26 -21.309   6.434  -2.236
  312   2HB   PHE  26          1HB       PHE  26 -19.705   7.155  -2.189
  313    HD1  PHE  26          1HD       PHE  26 -21.908   4.869  -3.924
  314    HD2  PHE  26          2HD       PHE  26 -17.904   6.237  -3.596
  315    HE1  PHE  26          1HE       PHE  26 -21.389   3.840  -6.090
  316    HE2  PHE  26          2HE       PHE  26 -17.369   5.214  -5.765
  317    HZ   PHE  26           HZ       PHE  26 -19.113   4.016  -7.019
  318    QB   PHE  26           QB       PHE  26 -20.507   6.794  -2.212
  319    QD   PHE  26           QD       PHE  26 -19.906   5.553  -3.760
  320    QE   PHE  26           QE       PHE  26 -19.379   4.527  -5.928
  321    QR   PHE  26           QR       PHE  26 -19.537   4.835  -5.279
  322    H    THR  27           H        THR  27 -19.311   7.587  -0.104
  323    HA   THR  27           HA       THR  27 -19.540   8.728   1.742
  324    HB   THR  27           HB       THR  27 -21.746   8.845   2.847
  325    HG1  THR  27          1HG       THR  27 -22.334   6.697   1.088
  326   1HG2  THR  27          3HG2      THR  27 -21.282  10.212   0.914
  327   2HG2  THR  27          2HG2      THR  27 -21.813   8.907  -0.152
  328   3HG2  THR  27          1HG2      THR  27 -22.971   9.710   0.903
  329    MG   THR  27           QG2      THR  27 -22.022   9.610   0.555
  330    H    HIS  28           H        HIS  28 -18.636   5.866   2.034
  331    HA   HIS  28           HA       HIS  28 -19.239   5.541   4.878
  332   1HB   HIS  28          2HB       HIS  28 -18.408   3.584   2.774
  333   2HB   HIS  28          1HB       HIS  28 -18.087   3.241   4.469
  334    HD1  HIS  28          1HD       HIS  28 -21.035   3.838   2.113
  335    HD2  HIS  28          2HD       HIS  28 -20.181   2.314   5.883
  336    HE1  HIS  28          1HE       HIS  28 -23.126   2.675   2.887
  337    QB   HIS  28           QB       HIS  28 -18.247   3.413   3.622
  338    H    HIS  29           H        HIS  29 -17.847   6.249   6.213
  339    HA   HIS  29           HA       HIS  29 -15.308   7.164   5.501
  340   1HB   HIS  29          2HB       HIS  29 -16.487   6.582   8.219
  341   2HB   HIS  29          1HB       HIS  29 -14.898   7.309   7.994
  342    HD1  HIS  29          1HD       HIS  29 -18.490   8.169   8.131
  343    HD2  HIS  29          2HD       HIS  29 -14.977   9.873   6.707
  344    HE1  HIS  29          1HE       HIS  29 -19.006  10.591   7.725
  345    QB   HIS  29           QB       HIS  29 -15.693   6.945   8.107
  346    H    LYS  30           H        LYS  30 -16.369   4.045   6.526
  347    HA   LYS  30           HA       LYS  30 -13.896   2.914   7.171
  348   1HB   LYS  30          2HB       LYS  30 -16.177   1.540   5.750
  349   2HB   LYS  30          1HB       LYS  30 -14.839   0.750   6.573
  350   1HG   LYS  30          2HG       LYS  30 -15.618   1.885   8.687
  351   2HG   LYS  30          1HG       LYS  30 -17.040   2.383   7.770
  352   1HD   LYS  30          2HD       LYS  30 -17.633   0.439   8.956
  353   2HD   LYS  30          1HD       LYS  30 -17.441   0.008   7.245
  354   1HE   LYS  30          2HE       LYS  30 -15.245  -0.950   7.718
  355   2HE   LYS  30          1HE       LYS  30 -15.371  -0.443   9.402
  356   1HZ   LYS  30          1HZ       LYS  30 -17.303  -1.959   9.613
  357   2HZ   LYS  30          3HZ       LYS  30 -17.045  -2.497   8.033
  358   3HZ   LYS  30          2HZ       LYS  30 -15.895  -2.768   9.219
  359    QB   LYS  30           QB       LYS  30 -15.508   1.145   6.161
  360    QD   LYS  30           QD       LYS  30 -17.537   0.223   8.100
  361    QG   LYS  30           QG       LYS  30 -16.329   2.134   8.228
  362    QE   LYS  30           QE       LYS  30 -15.308  -0.696   8.560
  363    QZ   LYS  30           QZ       LYS  30 -16.748  -2.408   8.955
  364    H    VAL  31           H        VAL  31 -15.572   3.195   4.052
  365    HA   VAL  31           HA       VAL  31 -13.565   1.901   2.521
  366    HB   VAL  31           HB       VAL  31 -15.698   3.856   1.588
  367   1HG1  VAL  31          3HG1      VAL  31 -13.939   3.553  -0.080
  368   2HG1  VAL  31          2HG1      VAL  31 -14.128   1.803   0.033
  369   3HG1  VAL  31          1HG1      VAL  31 -15.441   2.788  -0.604
  370   1HG2  VAL  31          2HG2      VAL  31 -16.679   1.959   2.750
  371   2HG2  VAL  31          1HG2      VAL  31 -17.012   1.869   1.019
  372   3HG2  VAL  31          3HG2      VAL  31 -15.765   0.845   1.732
  373    MG1  VAL  31           QG1      VAL  31 -14.503   2.715  -0.217
  374    MG2  VAL  31           QG2      VAL  31 -16.485   1.558   1.834
  375    QG   VAL  31           QQG      VAL  31 -15.494   2.136   0.808
  376    H    ILE  32           H        ILE  32 -14.270   5.233   3.325
  377    HA   ILE  32           HA       ILE  32 -12.329   6.478   1.745
  378    HB   ILE  32           HB       ILE  32 -13.396   7.385   4.448
  379   1HG1  ILE  32          2HG1      ILE  32 -14.263   8.123   1.636
  380   2HG1  ILE  32          1HG1      ILE  32 -15.139   7.057   2.723
  381   1HG2  ILE  32          1HG2      ILE  32 -11.309   8.539   3.903
  382   2HG2  ILE  32          3HG2      ILE  32 -11.954   8.987   2.325
  383   3HG2  ILE  32          2HG2      ILE  32 -12.678   9.644   3.790
  384   1HD1  ILE  32          3HD1      ILE  32 -15.496   8.936   4.261
  385   2HD1  ILE  32          2HD1      ILE  32 -14.615   9.993   3.156
  386   3HD1  ILE  32          1HD1      ILE  32 -16.140   9.269   2.653
  387    MG   ILE  32           QG2      ILE  32 -11.980   9.057   3.339
  388    MD   ILE  32           QD1      ILE  32 -15.417   9.399   3.357
  389    QG   ILE  32           QG1      ILE  32 -14.701   7.590   2.179
  390    H    SER  33           H        SER  33 -12.058   5.192   5.082
  391    HA   SER  33           HA       SER  33  -9.348   5.954   5.248
  392   1HB   SER  33          2HB       SER  33  -9.342   4.365   7.270
  393   2HB   SER  33          1HB       SER  33 -10.395   5.773   7.348
  394    HG   SER  33           HG       SER  33 -12.103   4.544   7.210
  395    QB   SER  33           QB       SER  33  -9.868   5.069   7.309
  396    H    PHE  34           H        PHE  34 -10.912   2.961   4.234
  397    HA   PHE  34           HA       PHE  34  -8.526   1.458   4.000
  398   1HB   PHE  34          2HB       PHE  34 -11.056   1.205   2.351
  399   2HB   PHE  34          1HB       PHE  34  -9.738   0.040   2.335
  400    HD1  PHE  34          1HD       PHE  34 -12.861   0.091   3.194
  401    HD2  PHE  34          2HD       PHE  34  -9.133  -0.207   5.198
  402    HE1  PHE  34          1HE       PHE  34 -13.959  -1.104   5.028
  403    HE2  PHE  34          2HE       PHE  34 -10.222  -1.405   7.051
  404    HZ   PHE  34           HZ       PHE  34 -12.638  -1.855   6.970
  405    QB   PHE  34           QB       PHE  34 -10.397   0.622   2.343
  406    QD   PHE  34           QD       PHE  34 -10.997  -0.058   4.196
  407    QE   PHE  34           QE       PHE  34 -12.091  -1.255   6.040
  408    QR   PHE  34           QR       PHE  34 -11.763  -0.896   5.488
  409    H    SER  35           H        SER  35 -10.113   3.686   1.830
  410    HA   SER  35           HA       SER  35  -8.445   3.346  -0.398
  411   1HB   SER  35          2HB       SER  35  -9.921   5.809   0.539
  412   2HB   SER  35          1HB       SER  35  -9.220   5.587  -1.067
  413    HG   SER  35           HG       SER  35 -11.355   4.140   0.129
  414    QB   SER  35           QB       SER  35  -9.571   5.698  -0.264
  415    H    GLN  36           H        GLN  36  -8.221   5.480   2.408
  416    HA   GLN  36           HA       GLN  36  -5.901   6.848   1.594
  417   1HB   GLN  36          2HB       GLN  36  -7.060   6.368   4.336
  418   2HB   GLN  36          1HB       GLN  36  -5.688   7.421   4.029
  419   1HG   GLN  36          2HG       GLN  36  -7.036   8.872   2.670
  420   2HG   GLN  36          1HG       GLN  36  -8.402   7.764   2.784
  421   1HE2  GLN  36          1HE2      GLN  36  -9.588   7.697   4.635
  422   2HE2  GLN  36          2HE2      GLN  36  -9.469   8.893   5.883
  423    QB   GLN  36           QB       GLN  36  -6.374   6.894   4.182
  424    QG   GLN  36           QG       GLN  36  -7.719   8.318   2.727
  425    QE   GLN  36           QE2      GLN  36  -9.529   8.295   5.259
  426    H    GLU  37           H        GLU  37  -6.372   3.819   3.262
  427    HA   GLU  37           HA       GLU  37  -3.636   3.405   3.901
  428   1HB   GLU  37          2HB       GLU  37  -5.966   1.522   3.608
  429   2HB   GLU  37          1HB       GLU  37  -4.343   0.943   3.947
  430   1HG   GLU  37          2HG       GLU  37  -5.850   2.905   5.661
  431   2HG   GLU  37          1HG       GLU  37  -5.752   1.169   5.962
  432    QB   GLU  37           QB       GLU  37  -5.155   1.232   3.778
  433    QG   GLU  37           QG       GLU  37  -5.801   2.037   5.812
  434    H    LEU  38           H        LEU  38  -5.682   2.309   1.248
  435    HA   LEU  38           HA       LEU  38  -3.739   0.869  -0.142
  436   1HB   LEU  38          2HB       LEU  38  -6.161   0.663  -0.533
  437   2HB   LEU  38          1HB       LEU  38  -6.208   2.282  -1.184
  438    HG   LEU  38           HG       LEU  38  -6.338   0.323  -2.830
  439   1HD1  LEU  38          1HD1      LEU  38  -4.214   2.408  -3.312
  440   2HD1  LEU  38          3HD1      LEU  38  -4.997   1.424  -4.547
  441   3HD1  LEU  38          2HD1      LEU  38  -5.940   2.589  -3.620
  442   1HD2  LEU  38          2HD2      LEU  38  -3.397   0.210  -2.208
  443   2HD2  LEU  38          1HD2      LEU  38  -4.598  -1.037  -1.872
  444   3HD2  LEU  38          3HD2      LEU  38  -4.186  -0.630  -3.536
  445    MD1  LEU  38           QD1      LEU  38  -5.050   2.141  -3.826
  446    MD2  LEU  38           QD2      LEU  38  -4.060  -0.486  -2.539
  447    QB   LEU  38           QB       LEU  38  -6.185   1.473  -0.859
  448    QD   LEU  38           QQD      LEU  38  -4.555   0.828  -3.182
  449    H    ASP  39           H        ASP  39  -4.779   4.220  -0.513
  450    HA   ASP  39           HA       ASP  39  -3.118   4.874  -2.664
  451   1HB   ASP  39          2HB       ASP  39  -5.003   6.278  -1.944
  452   2HB   ASP  39          1HB       ASP  39  -4.128   6.691  -0.477
  453    QB   ASP  39           QB       ASP  39  -4.565   6.485  -1.210
  454    H    ARG  40           H        ARG  40  -2.544   5.040   0.815
  455    HA   ARG  40           HA       ARG  40   0.023   6.184   0.534
  456   1HB   ARG  40          2HB       ARG  40  -1.134   6.437   2.642
  457   2HB   ARG  40          1HB       ARG  40  -1.215   4.698   2.859
  458   1HG   ARG  40          2HG       ARG  40   0.479   5.718   4.300
  459   2HG   ARG  40          1HG       ARG  40   1.201   4.598   3.149
  460   1HD   ARG  40          2HD       ARG  40   1.849   6.530   1.728
  461   2HD   ARG  40          1HD       ARG  40   1.180   7.618   2.950
  462    HE   ARG  40           HE       ARG  40   2.864   6.121   4.371
  463   1HH1  ARG  40          1HH1      ARG  40   3.454   8.024   1.351
  464   2HH1  ARG  40          2HH1      ARG  40   5.106   8.183   1.712
  465   1HH2  ARG  40          1HH2      ARG  40   5.178   6.426   4.722
  466   2HH2  ARG  40          2HH2      ARG  40   6.073   7.281   3.537
  467    QB   ARG  40           QB       ARG  40  -1.175   5.568   2.751
  468    QG   ARG  40           QG       ARG  40   0.840   5.158   3.724
  469    QD   ARG  40           QD       ARG  40   1.515   7.074   2.339
  470    QH1  ARG  40           QH1      ARG  40   4.280   8.104   1.532
  471    QH2  ARG  40           QH2      ARG  40   5.626   6.854   4.130
  472    H    LEU  41           H        LEU  41  -1.095   2.825   0.751
  473    HA   LEU  41           HA       LEU  41   1.453   1.639   0.883
  474   1HB   LEU  41          2HB       LEU  41  -1.068   0.542  -0.381
  475   2HB   LEU  41          1HB       LEU  41   0.384  -0.382  -0.074
  476    HG   LEU  41           HG       LEU  41  -1.367   0.854   2.051
  477   1HD1  LEU  41          3HD1      LEU  41  -2.445  -1.018   0.926
  478   2HD1  LEU  41          2HD1      LEU  41  -1.012  -2.013   1.196
  479   3HD1  LEU  41          1HD1      LEU  41  -1.970  -1.455   2.568
  480   1HD2  LEU  41          2HD2      LEU  41   1.055  -0.938   2.257
  481   2HD2  LEU  41          1HD2      LEU  41   0.962   0.747   2.761
  482   3HD2  LEU  41          3HD2      LEU  41   0.008  -0.479   3.600
  483    MD1  LEU  41           QD1      LEU  41  -1.809  -1.495   1.564
  484    MD2  LEU  41           QD2      LEU  41   0.675  -0.223   2.872
  485    QB   LEU  41           QB       LEU  41  -0.342   0.080  -0.227
  486    QD   LEU  41           QQD      LEU  41  -0.567  -0.859   2.218
  487    H    LEU  42           H        LEU  42  -0.532   2.529  -1.881
  488    HA   LEU  42           HA       LEU  42   1.231   1.709  -3.935
  489   1HB   LEU  42          2HB       LEU  42  -1.083   2.308  -4.344
  490   2HB   LEU  42          1HB       LEU  42  -0.784   3.957  -3.832
  491    HG   LEU  42           HG       LEU  42   0.781   4.167  -5.790
  492   1HD1  LEU  42          2HD1      LEU  42  -0.462   1.546  -6.582
  493   2HD1  LEU  42          1HD1      LEU  42   0.510   2.582  -7.628
  494   3HD1  LEU  42          3HD1      LEU  42   1.237   1.850  -6.200
  495   1HD2  LEU  42          3HD2      LEU  42  -2.122   3.576  -6.355
  496   2HD2  LEU  42          2HD2      LEU  42  -1.432   5.120  -5.839
  497   3HD2  LEU  42          1HD2      LEU  42  -1.028   4.463  -7.422
  498    MD1  LEU  42           QD1      LEU  42   0.428   1.992  -6.803
  499    MD2  LEU  42           QD2      LEU  42  -1.527   4.386  -6.539
  500    QB   LEU  42           QB       LEU  42  -0.934   3.132  -4.088
  501    QD   LEU  42           QQD      LEU  42  -0.550   3.189  -6.671
  502    H    ASN  43           H        ASN  43   0.880   4.659  -2.125
  503    HA   ASN  43           HA       ASN  43   2.745   6.234  -3.502
  504   1HB   ASN  43          2HB       ASN  43   0.918   7.053  -2.018
  505   2HB   ASN  43          1HB       ASN  43   1.846   6.478  -0.641
  506   1HD2  ASN  43          1HD2      ASN  43   1.726   8.744  -3.239
  507   2HD2  ASN  43          2HD2      ASN  43   2.806   9.903  -2.566
  508    QB   ASN  43           QB       ASN  43   1.382   6.765  -1.329
  509    QD   ASN  43           QD2      ASN  43   2.266   9.324  -2.903
  510    H    LEU  44           H        LEU  44   3.097   3.859  -0.972
  511    HA   LEU  44           HA       LEU  44   5.624   4.540   0.005
  512   1HB   LEU  44          2HB       LEU  44   4.294   1.860  -0.263
  513   2HB   LEU  44          1HB       LEU  44   5.841   2.058   0.525
  514    HG   LEU  44           HG       LEU  44   3.239   3.311   1.423
  515   1HD1  LEU  44          1HD1      LEU  44   3.281   0.884   1.728
  516   2HD1  LEU  44          3HD1      LEU  44   4.824   1.019   2.572
  517   3HD1  LEU  44          2HD1      LEU  44   3.368   1.732   3.270
  518   1HD2  LEU  44          1HD2      LEU  44   5.963   3.263   2.717
  519   2HD2  LEU  44          3HD2      LEU  44   5.176   4.679   2.017
  520   3HD2  LEU  44          2HD2      LEU  44   4.485   3.906   3.436
  521    MD1  LEU  44           QD1      LEU  44   3.824   1.212   2.524
  522    MD2  LEU  44           QD2      LEU  44   5.208   3.949   2.723
  523    QB   LEU  44           QB       LEU  44   5.068   1.959   0.131
  524    QD   LEU  44           QQD      LEU  44   4.516   2.581   2.623
  525    H    LEU  45           H        LEU  45   4.703   2.727  -2.868
  526    HA   LEU  45           HA       LEU  45   7.287   1.809  -3.599
  527   1HB   LEU  45          2HB       LEU  45   4.997   2.591  -5.413
  528   2HB   LEU  45          1HB       LEU  45   6.392   1.657  -5.886
  529    HG   LEU  45           HG       LEU  45   4.240   0.770  -3.971
  530   1HD1  LEU  45          1HD1      LEU  45   4.871  -0.046  -6.807
  531   2HD1  LEU  45          3HD1      LEU  45   3.656  -0.791  -5.766
  532   3HD1  LEU  45          2HD1      LEU  45   3.470   0.886  -6.266
  533   1HD2  LEU  45          1HD2      LEU  45   6.622  -0.723  -5.075
  534   2HD2  LEU  45          3HD2      LEU  45   6.418  -0.200  -3.403
  535   3HD2  LEU  45          2HD2      LEU  45   5.340  -1.418  -4.084
  536    MD1  LEU  45           QD1      LEU  45   3.999   0.016  -6.280
  537    MD2  LEU  45           QD2      LEU  45   6.127  -0.780  -4.187
  538    QB   LEU  45           QB       LEU  45   5.694   2.124  -5.649
  539    QD   LEU  45           QQD      LEU  45   5.063  -0.382  -5.233
  540    H    ILE  46           H        ILE  46   5.404   4.604  -4.526
  541    HA   ILE  46           HA       ILE  46   7.231   5.858  -6.231
  542    HB   ILE  46           HB       ILE  46   5.115   7.153  -4.483
  543   1HG1  ILE  46          2HG1      ILE  46   4.919   6.165  -7.340
  544   2HG1  ILE  46          1HG1      ILE  46   4.252   5.330  -5.945
  545   1HG2  ILE  46          1HG2      ILE  46   6.700   8.786  -5.385
  546   2HG2  ILE  46          3HG2      ILE  46   6.448   8.149  -7.010
  547   3HG2  ILE  46          2HG2      ILE  46   5.129   8.960  -6.165
  548   1HD1  ILE  46          3HD1      ILE  46   3.435   8.050  -6.937
  549   2HD1  ILE  46          2HD1      ILE  46   2.540   6.542  -7.159
  550   3HD1  ILE  46          1HD1      ILE  46   2.756   7.210  -5.543
  551    MG   ILE  46           QG2      ILE  46   6.092   8.631  -6.187
  552    MD   ILE  46           QD1      ILE  46   2.911   7.267  -6.546
  553    QG   ILE  46           QG1      ILE  46   4.585   5.748  -6.642
  554    H    GLU  47           H        GLU  47   6.580   6.384  -2.796
  555    HA   GLU  47           HA       GLU  47   8.453   8.351  -2.252
  556   1HB   GLU  47          2HB       GLU  47   6.677   7.662  -0.710
  557   2HB   GLU  47          1HB       GLU  47   7.461   6.107  -0.495
  558   1HG   GLU  47          2HG       GLU  47   9.389   7.241   0.510
  559   2HG   GLU  47          1HG       GLU  47   8.543   8.780   0.346
  560    QB   GLU  47           QB       GLU  47   7.069   6.884  -0.603
  561    QG   GLU  47           QG       GLU  47   8.966   8.010   0.428
  562    H    LEU  48           H        LEU  48   8.782   4.820  -2.070
  563    HA   LEU  48           HA       LEU  48  11.415   4.832  -1.072
  564   1HB   LEU  48          2HB       LEU  48   9.657   2.952  -1.010
  565   2HB   LEU  48          1HB       LEU  48  10.143   2.594  -2.645
  566    HG   LEU  48           HG       LEU  48  11.114   1.081  -0.898
  567   1HD1  LEU  48          1HD1      LEU  48  13.139   2.625  -2.487
  568   2HD1  LEU  48          3HD1      LEU  48  13.391   1.045  -1.745
  569   3HD1  LEU  48          2HD1      LEU  48  12.207   1.229  -3.039
  570   1HD2  LEU  48          2HD2      LEU  48  11.444   2.731   0.850
  571   2HD2  LEU  48          1HD2      LEU  48  12.946   1.888   0.479
  572   3HD2  LEU  48          3HD2      LEU  48  12.687   3.525  -0.115
  573    MD1  LEU  48           QD1      LEU  48  12.912   1.633  -2.424
  574    MD2  LEU  48           QD2      LEU  48  12.359   2.714   0.405
  575    QB   LEU  48           QB       LEU  48   9.900   2.773  -1.827
  576    QD   LEU  48           QQD      LEU  48  12.635   2.174  -1.010
  577    H    LYS  49           H        LYS  49  10.113   4.536  -4.349
  578    HA   LYS  49           HA       LYS  49  12.641   4.153  -5.584
  579   1HB   LYS  49          2HB       LYS  49   9.982   4.995  -6.736
  580   2HB   LYS  49          1HB       LYS  49  11.405   4.646  -7.713
  581   1HG   LYS  49          2HG       LYS  49  11.408   2.355  -7.004
  582   2HG   LYS  49          1HG       LYS  49  10.140   2.668  -5.821
  583   1HD   LYS  49          2HD       LYS  49   9.180   1.571  -7.740
  584   2HD   LYS  49          1HD       LYS  49   8.603   3.234  -7.686
  585   1HE   LYS  49          2HE       LYS  49   9.134   2.692  -9.954
  586   2HE   LYS  49          1HE       LYS  49  10.361   3.812  -9.371
  587   1HZ   LYS  49          3HZ       LYS  49  11.841   1.874  -9.031
  588   2HZ   LYS  49          2HZ       LYS  49  10.645   0.869  -9.667
  589   3HZ   LYS  49          1HZ       LYS  49  11.340   2.047 -10.626
  590    QB   LYS  49           QB       LYS  49  10.694   4.820  -7.224
  591    QD   LYS  49           QD       LYS  49   8.891   2.403  -7.713
  592    QG   LYS  49           QG       LYS  49  10.774   2.512  -6.412
  593    QE   LYS  49           QE       LYS  49   9.748   3.252  -9.663
  594    QZ   LYS  49           QZ       LYS  49  11.275   1.597  -9.775
  595    H    THR  50           H        THR  50  10.844   6.990  -4.699
  596    HA   THR  50           HA       THR  50  12.457   8.776  -6.224
  597    HB   THR  50           HB       THR  50  10.821   9.422  -3.737
  598    HG1  THR  50          1HG       THR  50   9.486   8.533  -5.287
  599   1HG2  THR  50          3HG2      THR  50  12.447  11.172  -4.418
  600   2HG2  THR  50          2HG2      THR  50  11.742  11.175  -6.032
  601   3HG2  THR  50          1HG2      THR  50  10.780  11.699  -4.653
  602    MG   THR  50           QG2      THR  50  11.656  11.349  -5.034
  603    H    LYS  51           H        LYS  51  12.448   7.704  -2.809
  604    HA   LYS  51           HA       LYS  51  14.654   9.200  -1.997
  605   1HB   LYS  51          2HB       LYS  51  13.462   6.645  -0.948
  606   2HB   LYS  51          1HB       LYS  51  14.762   7.511  -0.143
  607   1HG   LYS  51          2HG       LYS  51  13.355   9.449   0.101
  608   2HG   LYS  51          1HG       LYS  51  12.048   8.625  -0.753
  609   1HD   LYS  51          2HD       LYS  51  11.838   7.016   0.990
  610   2HD   LYS  51          1HD       LYS  51  13.291   7.611   1.794
  611   1HE   LYS  51          2HE       LYS  51  10.751   9.173   1.369
  612   2HE   LYS  51          1HE       LYS  51  11.247   8.422   2.885
  613   1HZ   LYS  51          2HZ       LYS  51  13.205   9.837   2.893
  614   2HZ   LYS  51          1HZ       LYS  51  12.735  10.573   1.466
  615   3HZ   LYS  51          3HZ       LYS  51  11.799  10.776   2.853
  616    QB   LYS  51           QB       LYS  51  14.112   7.078  -0.545
  617    QD   LYS  51           QD       LYS  51  12.564   7.314   1.392
  618    QG   LYS  51           QG       LYS  51  12.702   9.037  -0.326
  619    QE   LYS  51           QE       LYS  51  10.999   8.797   2.127
  620    QZ   LYS  51           QZ       LYS  51  12.580  10.395   2.404
  621    H    LYS  52           H        LYS  52  14.415   5.713  -2.748
  622    HA   LYS  52           HA       LYS  52  16.005   4.107  -3.089
  623   1HB   LYS  52          2HB       LYS  52  17.207   4.456  -5.265
  624   2HB   LYS  52          1HB       LYS  52  15.463   4.680  -5.314
  625   1HG   LYS  52          2HG       LYS  52  15.712   7.030  -5.297
  626   2HG   LYS  52          1HG       LYS  52  17.458   6.910  -5.087
  627   1HD   LYS  52          2HD       LYS  52  17.671   5.938  -7.281
  628   2HD   LYS  52          1HD       LYS  52  15.929   5.723  -7.409
  629   1HE   LYS  52          2HE       LYS  52  17.379   8.368  -7.299
  630   2HE   LYS  52          1HE       LYS  52  16.651   7.644  -8.737
  631   1HZ   LYS  52          2HZ       LYS  52  14.486   7.721  -7.535
  632   2HZ   LYS  52          1HZ       LYS  52  15.207   8.598  -6.306
  633   3HZ   LYS  52          3HZ       LYS  52  15.121   9.235  -7.862
  634    QB   LYS  52           QB       LYS  52  16.335   4.568  -5.289
  635    QD   LYS  52           QD       LYS  52  16.800   5.830  -7.345
  636    QG   LYS  52           QG       LYS  52  16.585   6.970  -5.192
  637    QE   LYS  52           QE       LYS  52  17.015   8.006  -8.018
  638    QZ   LYS  52           QZ       LYS  52  14.938   8.518  -7.234
  639    H    LYS  53           H        LYS  53  16.867   5.828  -1.151
  640    HA   LYS  53           HA       LYS  53  19.655   6.260  -1.702
  641   1HB   LYS  53          2HB       LYS  53  19.581   7.680   0.351
  642   2HB   LYS  53          1HB       LYS  53  18.494   8.076  -0.995
  643   1HG   LYS  53          2HG       LYS  53  17.242   8.468   0.980
  644   2HG   LYS  53          1HG       LYS  53  16.632   6.993   0.260
  645   1HD   LYS  53          2HD       LYS  53  16.751   6.689   2.646
  646   2HD   LYS  53          1HD       LYS  53  18.001   5.692   1.905
  647   1HE   LYS  53          2HE       LYS  53  19.691   7.350   2.480
  648   2HE   LYS  53          1HE       LYS  53  18.449   8.424   3.130
  649   1HZ   LYS  53          3HZ       LYS  53  17.974   6.714   4.815
  650   2HZ   LYS  53          2HZ       LYS  53  19.220   5.755   4.217
  651   3HZ   LYS  53          1HZ       LYS  53  19.570   7.245   4.906
  652    QB   LYS  53           QB       LYS  53  19.037   7.878  -0.322
  653    QD   LYS  53           QD       LYS  53  17.376   6.191   2.275
  654    QG   LYS  53           QG       LYS  53  16.937   7.730   0.620
  655    QE   LYS  53           QE       LYS  53  19.070   7.887   2.805
  656    QZ   LYS  53           QZ       LYS  53  18.921   6.572   4.646
  657    H    ARG  54           H        ARG  54  17.946   3.858  -0.800
  658    HA   ARG  54           HA       ARG  54  19.761   2.760   1.177
  659   1HB   ARG  54          2HB       ARG  54  17.582   1.395  -0.460
  660   2HB   ARG  54          1HB       ARG  54  18.401   0.720   0.939
  661   1HG   ARG  54          2HG       ARG  54  17.379   2.447   2.353
  662   2HG   ARG  54          1HG       ARG  54  16.547   3.088   0.938
  663   1HD   ARG  54          2HD       ARG  54  15.445   0.888   0.645
  664   2HD   ARG  54          1HD       ARG  54  16.209   0.344   2.140
  665    HE   ARG  54           HE       ARG  54  14.709   2.764   2.428
  666   1HH1  ARG  54          1HH1      ARG  54  14.498  -0.779   2.514
  667   2HH1  ARG  54          2HH1      ARG  54  13.029  -0.794   3.355
  668   1HH2  ARG  54          1HH2      ARG  54  12.669   2.703   3.633
  669   2HH2  ARG  54          2HH2      ARG  54  11.981   1.196   4.004
  670    QB   ARG  54           QB       ARG  54  17.992   1.057   0.239
  671    QG   ARG  54           QG       ARG  54  16.963   2.768   1.645
  672    QD   ARG  54           QD       ARG  54  15.827   0.616   1.393
  673    QH1  ARG  54           QH1      ARG  54  13.764  -0.786   2.934
  674    QH2  ARG  54           QH2      ARG  54  12.325   1.950   3.818
  675    H    TYR  55           H        TYR  55  21.474   1.490   0.477
  676    HA   TYR  55           HA       TYR  55  22.081   2.094  -2.253
  677   1HB   TYR  55          2HB       TYR  55  23.842   0.970  -0.103
  678   2HB   TYR  55          1HB       TYR  55  24.395   1.424  -1.725
  679    HD1  TYR  55          1HD       TYR  55  24.122   3.782  -2.476
  680    HD2  TYR  55          2HD       TYR  55  23.466   2.604   1.530
  681    HE1  TYR  55          1HE       TYR  55  24.231   6.135  -1.779
  682    HE2  TYR  55          2HE       TYR  55  23.577   4.944   2.251
  683    HH   TYR  55           HH       TYR  55  24.609   7.045   1.392
  684    QB   TYR  55           QB       TYR  55  24.119   1.197  -0.914
  685    QD   TYR  55           QD       TYR  55  23.794   3.193  -0.473
  686    QE   TYR  55           QE       TYR  55  23.904   5.540   0.236
  687    QR   TYR  55           QR       TYR  55  23.849   4.366  -0.118
  688    H    SER  56           H        SER  56  20.356  -0.174  -1.277
  689    HA   SER  56           HA       SER  56  21.276  -2.547  -2.368
  690   1HB   SER  56          2HB       SER  56  18.758  -2.939  -2.577
  691   2HB   SER  56          1HB       SER  56  19.365  -2.549  -0.965
  692    HG   SER  56           HG       SER  56  17.443  -1.413  -1.759
  693    QB   SER  56           QB       SER  56  19.062  -2.744  -1.771
  694    H    LEU  57           H        LEU  57  19.696   0.275  -3.733
  695    HA   LEU  57           HA       LEU  57  19.276  -0.779  -6.341
  696   1HB   LEU  57          2HB       LEU  57  19.397   2.101  -5.433
  697   2HB   LEU  57          1HB       LEU  57  19.002   1.612  -7.059
  698    HG   LEU  57           HG       LEU  57  16.981   2.163  -6.057
  699   1HD1  LEU  57          2HD1      LEU  57  16.799   0.196  -7.355
  700   2HD1  LEU  57          1HD1      LEU  57  17.167  -0.820  -5.958
  701   3HD1  LEU  57          3HD1      LEU  57  15.679   0.127  -5.997
  702   1HD2  LEU  57          3HD2      LEU  57  17.715   0.469  -3.668
  703   2HD2  LEU  57          2HD2      LEU  57  17.634   2.233  -3.740
  704   3HD2  LEU  57          1HD2      LEU  57  16.164   1.282  -3.917
  705    MD1  LEU  57           QD1      LEU  57  16.548  -0.166  -6.437
  706    MD2  LEU  57           QD2      LEU  57  17.171   1.328  -3.775
  707    QB   LEU  57           QB       LEU  57  19.199   1.857  -6.246
  708    QD   LEU  57           QQD      LEU  57  16.860   0.581  -5.106
  709    H    LEU  58           H        LEU  58  22.070   0.321  -4.794
  710    HA   LEU  58           HA       LEU  58  23.345   0.890  -7.350
  711   1HB   LEU  58          2HB       LEU  58  24.345   1.311  -4.530
  712   2HB   LEU  58          1HB       LEU  58  25.368   1.497  -5.933
  713    HG   LEU  58           HG       LEU  58  23.778   3.299  -6.724
  714   1HD1  LEU  58          1HD1      LEU  58  22.716   3.106  -3.920
  715   2HD1  LEU  58          3HD1      LEU  58  22.380   4.404  -5.066
  716   3HD1  LEU  58          2HD1      LEU  58  21.832   2.763  -5.408
  717   1HD2  LEU  58          3HD2      LEU  58  25.291   3.711  -4.150
  718   2HD2  LEU  58          2HD2      LEU  58  25.913   3.857  -5.789
  719   3HD2  LEU  58          1HD2      LEU  58  24.710   5.002  -5.203
  720    MD1  LEU  58           QD1      LEU  58  22.310   3.424  -4.798
  721    MD2  LEU  58           QD2      LEU  58  25.305   4.190  -5.048
  722    QB   LEU  58           QB       LEU  58  24.856   1.404  -5.232
  723    QD   LEU  58           QQD      LEU  58  23.807   3.807  -4.923
  724    H    GLU  59           H        GLU  59  23.723  -1.237  -4.535
  725    HA   GLU  59           HA       GLU  59  25.888  -2.719  -5.576
  726   1HB   GLU  59          2HB       GLU  59  23.771  -3.656  -3.635
  727   2HB   GLU  59          1HB       GLU  59  25.345  -4.392  -3.876
  728   1HG   GLU  59          2HG       GLU  59  26.409  -2.342  -3.053
  729   2HG   GLU  59          1HG       GLU  59  24.815  -1.649  -2.769
  730    QB   GLU  59           QB       GLU  59  24.558  -4.024  -3.756
  731    QG   GLU  59           QG       GLU  59  25.612  -1.996  -2.911
  732    H    HIS  60           H        HIS  60  22.527  -2.948  -5.891
  733    HA   HIS  60           HA       HIS  60  22.777  -5.229  -7.736
  734   1HB   HIS  60          2HB       HIS  60  20.471  -4.527  -5.889
  735   2HB   HIS  60          1HB       HIS  60  20.461  -5.840  -7.061
  736    HD1  HIS  60          1HD       HIS  60  21.594  -5.011  -3.586
  737    HD2  HIS  60          2HD       HIS  60  22.150  -7.998  -6.421
  738    HE1  HIS  60          1HE       HIS  60  22.600  -6.940  -2.376
  739    QB   HIS  60           QB       HIS  60  20.466  -5.184  -6.475
  740    H    HIS  61           H        HIS  61  23.205  -2.697  -8.587
  741    HA   HIS  61           HA       HIS  61  21.028  -1.213  -9.426
  742   1HB   HIS  61          2HB       HIS  61  22.525  -0.250 -11.204
  743   2HB   HIS  61          1HB       HIS  61  23.200  -0.201  -9.588
  744    HD1  HIS  61          1HD       HIS  61  25.402  -1.480  -9.210
  745    HD2  HIS  61          2HD       HIS  61  23.824  -1.976 -13.019
  746    HE1  HIS  61          1HE       HIS  61  27.228  -2.531 -10.597
  747    QB   HIS  61           QB       HIS  61  22.863  -0.225 -10.396
  748    H    HIS  62           H        HIS  62  19.622  -1.267 -11.008
  749    HA   HIS  62           HA       HIS  62  19.429  -3.841 -12.312
  750   1HB   HIS  62          2HB       HIS  62  17.545  -2.718 -10.947
  751   2HB   HIS  62          1HB       HIS  62  17.329  -1.682 -12.349
  752    HD1  HIS  62          1HD       HIS  62  16.662  -5.108 -11.083
  753    HD2  HIS  62          2HD       HIS  62  16.293  -2.992 -14.640
  754    HE1  HIS  62          1HE       HIS  62  15.158  -6.476 -12.564
  755    QB   HIS  62           QB       HIS  62  17.437  -2.200 -11.648
  756    H    HIS  63           H        HIS  63  21.203  -3.227 -13.664
  757    HA   HIS  63           HA       HIS  63  20.282  -1.789 -16.044
  758   1HB   HIS  63          2HB       HIS  63  22.039  -0.544 -14.595
  759   2HB   HIS  63          1HB       HIS  63  23.154  -1.809 -15.085
  760    HD1  HIS  63          1HD       HIS  63  21.417   1.248 -16.348
  761    HD2  HIS  63          2HD       HIS  63  24.039  -1.652 -17.743
  762    HE1  HIS  63          1HE       HIS  63  22.367   2.153 -18.491
  763    QB   HIS  63           QB       HIS  63  22.597  -1.176 -14.840
  764    H    HIS  64           H        HIS  64  19.611  -3.959 -16.550
  765    HA   HIS  64           HA       HIS  64  21.768  -5.842 -17.090
  766   1HB   HIS  64          2HB       HIS  64  19.922  -6.532 -15.527
  767   2HB   HIS  64          1HB       HIS  64  18.792  -6.352 -16.859
  768    HD1  HIS  64          1HD       HIS  64  21.031  -8.768 -15.276
  769    HD2  HIS  64          2HD       HIS  64  19.301  -8.268 -19.018
  770    HE1  HIS  64          1HE       HIS  64  21.099 -11.025 -16.381
  771    QB   HIS  64           QB       HIS  64  19.357  -6.442 -16.193

  No H/Q in entry =         771
  Start of MODEL   17
    1    H1   MET   1          2HT       MET   1  12.708  -7.197   0.748
    2    H2   MET   1          1HT       MET   1  12.527  -8.854   0.538
    3    H3   MET   1          3HT       MET   1  13.968  -8.220   1.182
    4    HA   MET   1           HA       MET   1  14.468  -7.160  -0.901
    5   1HB   MET   1          2HB       MET   1  13.546 -10.006  -1.411
    6   2HB   MET   1          1HB       MET   1  14.677  -9.093  -2.389
    7   1HG   MET   1          2HG       MET   1  16.266  -9.079  -0.595
    8   2HG   MET   1          1HG       MET   1  15.126  -9.917   0.463
    9   1HE   MET   1          3HE       MET   1  15.897 -10.511  -3.374
   10   2HE   MET   1          2HE       MET   1  17.475 -10.170  -2.666
   11   3HE   MET   1          1HE       MET   1  17.111 -11.787  -3.264
   12    QB   MET   1           QB       MET   1  14.112  -9.549  -1.900
   13    QG   MET   1           QG       MET   1  15.696  -9.498  -0.066
   14    ME   MET   1           QE       MET   1  16.828 -10.823  -3.102
   15    H    ASN   2           H        ASN   2  13.792  -6.462  -2.892
   16    HA   ASN   2           HA       ASN   2  12.506  -5.847  -4.615
   17   1HB   ASN   2          2HB       ASN   2  11.347  -8.595  -4.193
   18   2HB   ASN   2          1HB       ASN   2  11.002  -7.576  -5.587
   19   1HD2  ASN   2          1HD2      ASN   2  11.881  -9.192  -6.936
   20   2HD2  ASN   2          2HD2      ASN   2  13.582  -9.380  -7.083
   21    QB   ASN   2           QB       ASN   2  11.175  -8.086  -4.890
   22    QD   ASN   2           QD2      ASN   2  12.732  -9.286  -7.009
   23    H    VAL   3           H        VAL   3  11.206  -4.230  -4.540
   24    HA   VAL   3           HA       VAL   3   9.142  -3.865  -2.657
   25    HB   VAL   3           HB       VAL   3   8.521  -1.877  -3.992
   26   1HG1  VAL   3          2HG1      VAL   3  11.461  -2.249  -3.407
   27   2HG1  VAL   3          1HG1      VAL   3  10.674  -0.684  -3.642
   28   3HG1  VAL   3          3HG1      VAL   3  10.229  -1.704  -2.273
   29   1HG2  VAL   3          2HG2      VAL   3   9.023  -2.726  -6.216
   30   2HG2  VAL   3          1HG2      VAL   3   9.938  -1.241  -5.915
   31   3HG2  VAL   3          3HG2      VAL   3  10.732  -2.814  -5.819
   32    MG1  VAL   3           QG1      VAL   3  10.788  -1.546  -3.107
   33    MG2  VAL   3           QG2      VAL   3   9.898  -2.261  -5.983
   34    QG   VAL   3           QQG      VAL   3  10.343  -1.903  -4.545
   35    H    THR   4           H        THR   4   9.114  -5.519  -5.593
   36    HA   THR   4           HA       THR   4   6.499  -5.141  -6.459
   37    HB   THR   4           HB       THR   4   8.202  -6.283  -7.818
   38    HG1  THR   4          1HG       THR   4   6.017  -6.648  -8.313
   39   1HG2  THR   4          3HG2      THR   4   9.187  -7.594  -6.010
   40   2HG2  THR   4          2HG2      THR   4   7.765  -8.636  -5.995
   41   3HG2  THR   4          1HG2      THR   4   8.811  -8.599  -7.420
   42    MG   THR   4           QG2      THR   4   8.588  -8.276  -6.475
   43    H    LYS   5           H        LYS   5   7.686  -7.073  -3.784
   44    HA   LYS   5           HA       LYS   5   5.324  -8.640  -3.494
   45   1HB   LYS   5          2HB       LYS   5   6.118  -9.253  -1.265
   46   2HB   LYS   5          1HB       LYS   5   7.430  -9.358  -2.424
   47   1HG   LYS   5          2HG       LYS   5   8.281  -7.183  -1.614
   48   2HG   LYS   5          1HG       LYS   5   6.985  -7.149  -0.421
   49   1HD   LYS   5          2HD       LYS   5   9.117  -9.292  -0.611
   50   2HD   LYS   5          1HD       LYS   5   9.150  -7.943   0.514
   51   1HE   LYS   5          2HE       LYS   5   7.001 -10.071   0.422
   52   2HE   LYS   5          1HE       LYS   5   8.354 -10.050   1.545
   53   1HZ   LYS   5          2HZ       LYS   5   6.231  -7.973   1.371
   54   2HZ   LYS   5          1HZ       LYS   5   6.347  -9.177   2.542
   55   3HZ   LYS   5          3HZ       LYS   5   7.517  -7.970   2.448
   56    QB   LYS   5           QB       LYS   5   6.774  -9.305  -1.845
   57    QD   LYS   5           QD       LYS   5   9.133  -8.618  -0.048
   58    QG   LYS   5           QG       LYS   5   7.633  -7.166  -1.018
   59    QE   LYS   5           QE       LYS   5   7.678 -10.061   0.983
   60    QZ   LYS   5           QZ       LYS   5   6.698  -8.373   2.121
   61    H    LEU   6           H        LEU   6   6.165  -5.450  -2.501
   62    HA   LEU   6           HA       LEU   6   3.982  -5.153  -0.678
   63   1HB   LEU   6          2HB       LEU   6   6.114  -3.790  -0.665
   64   2HB   LEU   6          1HB       LEU   6   5.527  -3.034  -2.137
   65    HG   LEU   6           HG       LEU   6   3.675  -2.006  -0.936
   66   1HD1  LEU   6          2HD1      LEU   6   4.782  -3.398   1.503
   67   2HD1  LEU   6          1HD1      LEU   6   3.500  -2.183   1.494
   68   3HD1  LEU   6          3HD1      LEU   6   3.242  -3.742   0.718
   69   1HD2  LEU   6          3HD2      LEU   6   6.323  -1.644   0.442
   70   2HD2  LEU   6          2HD2      LEU   6   5.773  -0.817  -1.021
   71   3HD2  LEU   6          1HD2      LEU   6   4.955  -0.533   0.510
   72    MD1  LEU   6           QD1      LEU   6   3.841  -3.108   1.238
   73    MD2  LEU   6           QD2      LEU   6   5.683  -0.998  -0.023
   74    QB   LEU   6           QB       LEU   6   5.821  -3.412  -1.401
   75    QD   LEU   6           QQD      LEU   6   4.762  -2.053   0.608
   76    H    ASN   7           H        ASN   7   4.587  -4.721  -4.047
   77    HA   ASN   7           HA       ASN   7   2.208  -3.329  -4.688
   78   1HB   ASN   7          2HB       ASN   7   4.127  -4.919  -6.375
   79   2HB   ASN   7          1HB       ASN   7   2.640  -4.278  -7.057
   80   1HD2  ASN   7          1HD2      ASN   7   5.755  -3.455  -5.666
   81   2HD2  ASN   7          2HD2      ASN   7   5.751  -1.844  -6.266
   82    QB   ASN   7           QB       ASN   7   3.383  -4.598  -6.716
   83    QD   ASN   7           QD2      ASN   7   5.753  -2.650  -5.966
   84    H    ASP   8           H        ASP   8   3.084  -6.686  -4.435
   85    HA   ASP   8           HA       ASP   8   0.775  -7.913  -5.413
   86   1HB   ASP   8          2HB       ASP   8   2.796  -9.172  -4.712
   87   2HB   ASP   8          1HB       ASP   8   2.460  -8.767  -3.036
   88    QB   ASP   8           QB       ASP   8   2.628  -8.970  -3.874
   89    H    ARG   9           H        ARG   9   1.544  -6.638  -2.213
   90    HA   ARG   9           HA       ARG   9  -0.983  -7.119  -1.048
   91   1HB   ARG   9          2HB       ARG   9   1.165  -5.137  -0.336
   92   2HB   ARG   9          1HB       ARG   9  -0.356  -5.210   0.529
   93   1HG   ARG   9          2HG       ARG   9   0.140  -7.563   1.108
   94   2HG   ARG   9          1HG       ARG   9   1.717  -7.378   0.328
   95   1HD   ARG   9          2HD       ARG   9   2.323  -5.617   1.865
   96   2HD   ARG   9          1HD       ARG   9   0.713  -5.633   2.574
   97    HE   ARG   9           HE       ARG   9   1.911  -8.174   2.766
   98   1HH1  ARG   9          1HH1      ARG   9   2.051  -4.938   4.249
   99   2HH1  ARG   9          2HH1      ARG   9   2.597  -5.523   5.746
  100   1HH2  ARG   9          1HH2      ARG   9   2.666  -8.926   4.846
  101   2HH2  ARG   9          2HH2      ARG   9   2.960  -7.824   6.097
  102    QB   ARG   9           QB       ARG   9   0.404  -5.173   0.096
  103    QG   ARG   9           QG       ARG   9   0.929  -7.470   0.718
  104    QD   ARG   9           QD       ARG   9   1.518  -5.625   2.220
  105    QH1  ARG   9           QH1      ARG   9   2.324  -5.231   4.997
  106    QH2  ARG   9           QH2      ARG   9   2.813  -8.375   5.471
  107    H    ILE  10           H        ILE  10   0.316  -4.304  -2.753
  108    HA   ILE  10           HA       ILE  10  -1.813  -2.558  -2.355
  109    HB   ILE  10           HB       ILE  10  -0.023  -2.800  -4.801
  110   1HG1  ILE  10          2HG1      ILE  10   0.090  -0.956  -2.400
  111   2HG1  ILE  10          1HG1      ILE  10   1.158  -2.318  -2.702
  112   1HG2  ILE  10          3HG2      ILE  10  -2.123  -1.602  -5.340
  113   2HG2  ILE  10          2HG2      ILE  10  -1.791  -0.498  -4.006
  114   3HG2  ILE  10          1HG2      ILE  10  -0.709  -0.528  -5.390
  115   1HD1  ILE  10          3HD1      ILE  10   2.025  -1.177  -4.690
  116   2HD1  ILE  10          2HD1      ILE  10   0.951   0.178  -4.367
  117   3HD1  ILE  10          1HD1      ILE  10   2.237  -0.215  -3.227
  118    MG   ILE  10           QG2      ILE  10  -1.541  -0.876  -4.912
  119    MD   ILE  10           QD1      ILE  10   1.738  -0.405  -4.095
  120    QG   ILE  10           QG1      ILE  10   0.624  -1.637  -2.551
  121    H    GLU  11           H        GLU  11  -1.330  -4.768  -5.090
  122    HA   GLU  11           HA       GLU  11  -3.770  -4.399  -6.368
  123   1HB   GLU  11          2HB       GLU  11  -1.988  -6.812  -6.167
  124   2HB   GLU  11          1HB       GLU  11  -3.411  -6.769  -7.196
  125   1HG   GLU  11          2HG       GLU  11  -1.055  -4.907  -7.398
  126   2HG   GLU  11          1HG       GLU  11  -1.347  -6.305  -8.432
  127    QB   GLU  11           QB       GLU  11  -2.699  -6.791  -6.682
  128    QG   GLU  11           QG       GLU  11  -1.201  -5.606  -7.915
  129    H    ALA  12           H        ALA  12  -2.905  -6.604  -3.774
  130    HA   ALA  12           HA       ALA  12  -5.352  -7.972  -3.627
  131   1HB   ALA  12          2HB       ALA  12  -3.231  -8.758  -2.657
  132   2HB   ALA  12          3HB       ALA  12  -4.565  -8.796  -1.505
  133   3HB   ALA  12          1HB       ALA  12  -3.356  -7.511  -1.422
  134    MB   ALA  12           QB       ALA  12  -3.718  -8.355  -1.861
  135    H    LYS  13           H        LYS  13  -4.192  -5.024  -2.091
  136    HA   LYS  13           HA       LYS  13  -6.426  -4.835  -0.315
  137   1HB   LYS  13          2HB       LYS  13  -4.312  -2.807  -1.043
  138   2HB   LYS  13          1HB       LYS  13  -5.517  -2.559   0.206
  139   1HG   LYS  13          2HG       LYS  13  -3.488  -4.786   0.206
  140   2HG   LYS  13          1HG       LYS  13  -3.271  -3.269   1.046
  141   1HD   LYS  13          2HD       LYS  13  -5.607  -5.099   1.610
  142   2HD   LYS  13          1HD       LYS  13  -4.052  -5.288   2.403
  143   1HE   LYS  13          2HE       LYS  13  -5.373  -4.039   3.904
  144   2HE   LYS  13          1HE       LYS  13  -4.297  -2.874   3.153
  145   1HZ   LYS  13          3HZ       LYS  13  -6.194  -2.207   1.694
  146   2HZ   LYS  13          2HZ       LYS  13  -7.158  -3.327   2.539
  147   3HZ   LYS  13          1HZ       LYS  13  -6.508  -2.027   3.336
  148    QB   LYS  13           QB       LYS  13  -4.915  -2.683  -0.419
  149    QD   LYS  13           QD       LYS  13  -4.830  -5.194   2.007
  150    QG   LYS  13           QG       LYS  13  -3.379  -4.028   0.626
  151    QE   LYS  13           QE       LYS  13  -4.835  -3.456   3.529
  152    QZ   LYS  13           QZ       LYS  13  -6.620  -2.520   2.523
  153    H    LYS  14           H        LYS  14  -5.622  -3.620  -3.451
  154    HA   LYS  14           HA       LYS  14  -7.800  -1.830  -3.739
  155   1HB   LYS  14          2HB       LYS  14  -6.191  -3.383  -5.771
  156   2HB   LYS  14          1HB       LYS  14  -7.418  -2.200  -6.209
  157   1HG   LYS  14          2HG       LYS  14  -6.203  -0.432  -5.222
  158   2HG   LYS  14          1HG       LYS  14  -5.125  -1.571  -4.417
  159   1HD   LYS  14          2HD       LYS  14  -4.006  -0.508  -6.286
  160   2HD   LYS  14          1HD       LYS  14  -4.209  -2.230  -6.572
  161   1HE   LYS  14          2HE       LYS  14  -4.652  -0.957  -8.564
  162   2HE   LYS  14          1HE       LYS  14  -6.114  -1.774  -8.006
  163   1HZ   LYS  14          2HZ       LYS  14  -5.512   1.113  -7.537
  164   2HZ   LYS  14          1HZ       LYS  14  -6.510   0.496  -8.748
  165   3HZ   LYS  14          3HZ       LYS  14  -6.938   0.310  -7.143
  166    QB   LYS  14           QB       LYS  14  -6.805  -2.792  -5.990
  167    QD   LYS  14           QD       LYS  14  -4.108  -1.369  -6.429
  168    QG   LYS  14           QG       LYS  14  -5.664  -1.002  -4.819
  169    QE   LYS  14           QE       LYS  14  -5.383  -1.366  -8.285
  170    QZ   LYS  14           QZ       LYS  14  -6.320   0.640  -7.809
  171    H    LYS  15           H        LYS  15  -7.390  -5.236  -4.576
  172    HA   LYS  15           HA       LYS  15 -10.013  -5.652  -5.545
  173   1HB   LYS  15          2HB       LYS  15  -8.085  -7.609  -4.274
  174   2HB   LYS  15          1HB       LYS  15  -9.553  -8.064  -5.131
  175   1HG   LYS  15          2HG       LYS  15  -8.690  -7.160  -7.188
  176   2HG   LYS  15          1HG       LYS  15  -7.275  -6.528  -6.349
  177   1HD   LYS  15          2HD       LYS  15  -6.688  -8.551  -7.536
  178   2HD   LYS  15          1HD       LYS  15  -6.600  -8.834  -5.802
  179   1HE   LYS  15          2HE       LYS  15  -8.790  -9.928  -5.873
  180   2HE   LYS  15          1HE       LYS  15  -8.879  -9.632  -7.609
  181   1HZ   LYS  15          3HZ       LYS  15  -6.832 -11.290  -6.240
  182   2HZ   LYS  15          2HZ       LYS  15  -8.143 -11.888  -7.082
  183   3HZ   LYS  15          1HZ       LYS  15  -6.936 -11.048  -7.909
  184    QB   LYS  15           QB       LYS  15  -8.819  -7.836  -4.702
  185    QD   LYS  15           QD       LYS  15  -6.644  -8.693  -6.669
  186    QG   LYS  15           QG       LYS  15  -7.983  -6.844  -6.768
  187    QE   LYS  15           QE       LYS  15  -8.834  -9.780  -6.741
  188    QZ   LYS  15           QZ       LYS  15  -7.304 -11.409  -7.077
  189    H    GLU  16           H        GLU  16  -8.592  -5.883  -2.360
  190    HA   GLU  16           HA       GLU  16 -10.801  -6.807  -0.908
  191   1HB   GLU  16          2HB       GLU  16  -8.524  -6.685   0.001
  192   2HB   GLU  16          1HB       GLU  16  -8.576  -4.936  -0.103
  193   1HG   GLU  16          2HG       GLU  16 -10.411  -4.923   1.536
  194   2HG   GLU  16          1HG       GLU  16 -10.247  -6.671   1.693
  195    QB   GLU  16           QB       GLU  16  -8.550  -5.811  -0.051
  196    QG   GLU  16           QG       GLU  16 -10.329  -5.797   1.615
  197    H    LEU  17           H        LEU  17  -9.684  -3.554  -1.682
  198    HA   LEU  17           HA       LEU  17 -11.597  -2.043  -0.337
  199   1HB   LEU  17          2HB       LEU  17  -9.376  -1.496  -1.724
  200   2HB   LEU  17          1HB       LEU  17 -10.544  -1.107  -2.960
  201    HG   LEU  17           HG       LEU  17 -10.263   0.198  -0.260
  202   1HD1  LEU  17          3HD1      LEU  17  -9.680   1.150  -3.031
  203   2HD1  LEU  17          2HD1      LEU  17  -9.696   2.170  -1.598
  204   3HD1  LEU  17          1HD1      LEU  17  -8.527   0.843  -1.734
  205   1HD2  LEU  17          1HD2      LEU  17 -12.222   0.863  -2.469
  206   2HD2  LEU  17          3HD2      LEU  17 -12.630   0.170  -0.896
  207   3HD2  LEU  17          2HD2      LEU  17 -11.968   1.797  -0.995
  208    MD1  LEU  17           QD1      LEU  17  -9.301   1.388  -2.121
  209    MD2  LEU  17           QD2      LEU  17 -12.273   0.943  -1.454
  210    QB   LEU  17           QB       LEU  17  -9.960  -1.302  -2.342
  211    QD   LEU  17           QQD      LEU  17 -10.787   1.165  -1.787
  212    H    ILE  18           H        ILE  18 -11.554  -3.230  -3.696
  213    HA   ILE  18           HA       ILE  18 -14.012  -2.199  -4.548
  214    HB   ILE  18           HB       ILE  18 -12.723  -4.827  -5.364
  215   1HG1  ILE  18          2HG1      ILE  18 -12.614  -2.109  -6.692
  216   2HG1  ILE  18          1HG1      ILE  18 -11.324  -2.808  -5.723
  217   1HG2  ILE  18          3HG2      ILE  18 -15.092  -4.789  -5.977
  218   2HG2  ILE  18          2HG2      ILE  18 -14.872  -3.228  -6.768
  219   3HG2  ILE  18          1HG2      ILE  18 -14.074  -4.662  -7.412
  220   1HD1  ILE  18          3HD1      ILE  18 -12.412  -3.950  -8.275
  221   2HD1  ILE  18          2HD1      ILE  18 -10.923  -3.021  -8.116
  222   3HD1  ILE  18          1HD1      ILE  18 -11.070  -4.602  -7.333
  223    MG   ILE  18           QG2      ILE  18 -14.679  -4.226  -6.719
  224    MD   ILE  18           QD1      ILE  18 -11.468  -3.858  -7.908
  225    QG   ILE  18           QG1      ILE  18 -11.969  -2.458  -6.207
  226    H    TYR  19           H        TYR  19 -13.294  -5.309  -3.039
  227    HA   TYR  19           HA       TYR  19 -15.911  -6.297  -2.877
  228   1HB   TYR  19          2HB       TYR  19 -14.058  -7.794  -2.494
  229   2HB   TYR  19          1HB       TYR  19 -13.461  -6.802  -1.174
  230    HD1  TYR  19          1HD       TYR  19 -14.084  -7.260   1.022
  231    HD2  TYR  19          2HD       TYR  19 -16.333  -8.969  -2.162
  232    HE1  TYR  19          1HE       TYR  19 -15.345  -8.594   2.639
  233    HE2  TYR  19          2HE       TYR  19 -17.608 -10.317  -0.537
  234    HH   TYR  19           HH       TYR  19 -17.251 -11.182   1.786
  235    QB   TYR  19           QB       TYR  19 -13.759  -7.298  -1.834
  236    QD   TYR  19           QD       TYR  19 -15.209  -8.115  -0.570
  237    QE   TYR  19           QE       TYR  19 -16.476  -9.456   1.051
  238    QR   TYR  19           QR       TYR  19 -15.843  -8.785   0.241
  239    H    LEU  20           H        LEU  20 -14.042  -4.343  -0.633
  240    HA   LEU  20           HA       LEU  20 -15.949  -4.179   1.400
  241   1HB   LEU  20          2HB       LEU  20 -13.718  -2.305   0.648
  242   2HB   LEU  20          1HB       LEU  20 -14.687  -2.115   2.095
  243    HG   LEU  20           HG       LEU  20 -13.044  -4.582   1.503
  244   1HD1  LEU  20          3HD1      LEU  20 -12.400  -2.232   3.278
  245   2HD1  LEU  20          2HD1      LEU  20 -11.481  -3.730   3.175
  246   3HD1  LEU  20          1HD1      LEU  20 -11.579  -2.655   1.779
  247   1HD2  LEU  20          3HD2      LEU  20 -14.402  -3.594   3.998
  248   2HD2  LEU  20          2HD2      LEU  20 -14.931  -4.954   3.004
  249   3HD2  LEU  20          1HD2      LEU  20 -13.404  -5.042   3.881
  250    MD1  LEU  20           QD1      LEU  20 -11.820  -2.872   2.744
  251    MD2  LEU  20           QD2      LEU  20 -14.246  -4.530   3.628
  252    QB   LEU  20           QB       LEU  20 -14.202  -2.210   1.372
  253    QD   LEU  20           QQD      LEU  20 -13.033  -3.701   3.186
  254    H    VAL  21           H        VAL  21 -15.466  -2.107  -1.427
  255    HA   VAL  21           HA       VAL  21 -17.481  -0.252  -0.758
  256    HB   VAL  21           HB       VAL  21 -16.571  -1.070  -3.548
  257   1HG1  VAL  21          1HG1      VAL  21 -18.087   1.375  -2.632
  258   2HG1  VAL  21          3HG1      VAL  21 -17.471   1.102  -4.261
  259   3HG1  VAL  21          2HG1      VAL  21 -18.736   0.057  -3.604
  260   1HG2  VAL  21          2HG2      VAL  21 -15.707   1.220  -1.792
  261   2HG2  VAL  21          1HG2      VAL  21 -14.744  -0.200  -2.193
  262   3HG2  VAL  21          3HG2      VAL  21 -15.182   0.950  -3.456
  263    MG1  VAL  21           QG1      VAL  21 -18.098   0.845  -3.499
  264    MG2  VAL  21           QG2      VAL  21 -15.211   0.657  -2.480
  265    QG   VAL  21           QQG      VAL  21 -16.655   0.751  -2.990
  266    H    GLU  22           H        GLU  22 -17.579  -3.287  -2.513
  267    HA   GLU  22           HA       GLU  22 -20.289  -3.306  -3.232
  268   1HB   GLU  22          2HB       GLU  22 -18.404  -5.564  -2.591
  269   2HB   GLU  22          1HB       GLU  22 -20.036  -5.815  -3.187
  270   1HG   GLU  22          2HG       GLU  22 -17.889  -4.285  -4.640
  271   2HG   GLU  22          1HG       GLU  22 -18.308  -5.970  -4.937
  272    QB   GLU  22           QB       GLU  22 -19.220  -5.689  -2.889
  273    QG   GLU  22           QG       GLU  22 -18.099  -5.128  -4.788
  274    H    LYS  23           H        LYS  23 -18.718  -4.152  -0.233
  275    HA   LYS  23           HA       LYS  23 -21.109  -5.288   0.941
  276   1HB   LYS  23          2HB       LYS  23 -18.472  -4.551   2.216
  277   2HB   LYS  23          1HB       LYS  23 -19.759  -5.449   2.996
  278   1HG   LYS  23          2HG       LYS  23 -18.287  -6.368   0.533
  279   2HG   LYS  23          1HG       LYS  23 -17.881  -6.849   2.174
  280   1HD   LYS  23          2HD       LYS  23 -20.574  -7.339   0.892
  281   2HD   LYS  23          1HD       LYS  23 -19.252  -8.502   0.897
  282   1HE   LYS  23          2HE       LYS  23 -20.618  -7.362   3.346
  283   2HE   LYS  23          1HE       LYS  23 -20.853  -8.974   2.681
  284   1HZ   LYS  23          2HZ       LYS  23 -18.462  -9.413   3.098
  285   2HZ   LYS  23          1HZ       LYS  23 -18.326  -7.908   3.829
  286   3HZ   LYS  23          3HZ       LYS  23 -19.315  -9.084   4.504
  287    QB   LYS  23           QB       LYS  23 -19.115  -5.000   2.606
  288    QD   LYS  23           QD       LYS  23 -19.913  -7.921   0.895
  289    QG   LYS  23           QG       LYS  23 -18.084  -6.608   1.354
  290    QE   LYS  23           QE       LYS  23 -20.735  -8.168   3.013
  291    QZ   LYS  23           QZ       LYS  23 -18.701  -8.801   3.810
  292    H    TYR  24           H        TYR  24 -19.203  -2.346   1.389
  293    HA   TYR  24           HA       TYR  24 -20.956  -1.420   3.434
  294   1HB   TYR  24          2HB       TYR  24 -18.468  -0.336   2.177
  295   2HB   TYR  24          1HB       TYR  24 -19.437   0.680   3.256
  296    HD1  TYR  24          1HD       TYR  24 -19.488   0.209   5.624
  297    HD2  TYR  24          2HD       TYR  24 -17.310  -2.313   2.991
  298    HE1  TYR  24          1HE       TYR  24 -18.377  -0.835   7.553
  299    HE2  TYR  24          2HE       TYR  24 -16.193  -3.362   4.918
  300    HH   TYR  24           HH       TYR  24 -15.651  -2.840   7.244
  301    QB   TYR  24           QB       TYR  24 -18.952   0.172   2.716
  302    QD   TYR  24           QD       TYR  24 -18.399  -1.052   4.308
  303    QE   TYR  24           QE       TYR  24 -17.285  -2.098   6.235
  304    QR   TYR  24           QR       TYR  24 -17.842  -1.575   5.272
  305    H    GLY  25           H        GLY  25 -20.418  -0.452   0.048
  306   1HA   GLY  25          1HA       GLY  25 -22.821   1.194   0.356
  307   2HA   GLY  25          2HA       GLY  25 -22.633   0.054  -0.968
  308    QA   GLY  25           QA       GLY  25 -22.727   0.624  -0.306
  309    H    PHE  26           H        PHE  26 -21.754   3.134   0.282
  310    HA   PHE  26           HA       PHE  26 -20.435   3.651  -2.255
  311   1HB   PHE  26          2HB       PHE  26 -22.501   5.347  -0.873
  312   2HB   PHE  26          1HB       PHE  26 -21.412   6.021  -2.085
  313    HD1  PHE  26          1HD       PHE  26 -21.650   5.487  -4.399
  314    HD2  PHE  26          2HD       PHE  26 -24.163   3.660  -1.501
  315    HE1  PHE  26          1HE       PHE  26 -23.113   4.660  -6.195
  316    HE2  PHE  26          2HE       PHE  26 -25.638   2.834  -3.290
  317    HZ   PHE  26           HZ       PHE  26 -25.110   3.334  -5.642
  318    QB   PHE  26           QB       PHE  26 -21.956   5.684  -1.479
  319    QD   PHE  26           QD       PHE  26 -22.906   4.573  -2.950
  320    QE   PHE  26           QE       PHE  26 -24.375   3.747  -4.742
  321    QR   PHE  26           QR       PHE  26 -23.935   3.995  -4.205
  322    H    THR  27           H        THR  27 -19.607   6.241  -1.849
  323    HA   THR  27           HA       THR  27 -17.236   5.525  -0.444
  324    HB   THR  27           HB       THR  27 -17.718   8.188  -1.728
  325    HG1  THR  27          1HG       THR  27 -18.241   7.078  -3.443
  326   1HG2  THR  27          1HG2      THR  27 -15.361   6.301  -1.570
  327   2HG2  THR  27          3HG2      THR  27 -15.371   7.890  -2.333
  328   3HG2  THR  27          2HG2      THR  27 -15.597   7.752  -0.585
  329    MG   THR  27           QG2      THR  27 -15.443   7.314  -1.496
  330    H    HIS  28           H        HIS  28 -18.597   5.513   1.524
  331    HA   HIS  28           HA       HIS  28 -18.666   8.103   2.855
  332   1HB   HIS  28          2HB       HIS  28 -19.527   6.751   4.856
  333   2HB   HIS  28          1HB       HIS  28 -20.574   6.793   3.449
  334    HD1  HIS  28          1HD       HIS  28 -21.608   4.564   3.078
  335    HD2  HIS  28          2HD       HIS  28 -17.774   4.269   4.607
  336    HE1  HIS  28          1HE       HIS  28 -21.165   2.114   3.363
  337    QB   HIS  28           QB       HIS  28 -20.050   6.772   4.152
  338    H    HIS  29           H        HIS  29 -17.847   7.653   5.426
  339    HA   HIS  29           HA       HIS  29 -15.147   8.136   5.166
  340   1HB   HIS  29          2HB       HIS  29 -16.427   8.913   7.100
  341   2HB   HIS  29          1HB       HIS  29 -16.595   7.255   7.667
  342    HD1  HIS  29          1HD       HIS  29 -14.013   9.988   7.322
  343    HD2  HIS  29          2HD       HIS  29 -14.441   6.248   9.064
  344    HE1  HIS  29          1HE       HIS  29 -12.008   9.674   8.808
  345    QB   HIS  29           QB       HIS  29 -16.511   8.084   7.384
  346    H    LYS  30           H        LYS  30 -16.653   5.039   6.000
  347    HA   LYS  30           HA       LYS  30 -14.341   3.591   6.613
  348   1HB   LYS  30          2HB       LYS  30 -16.789   2.584   5.121
  349   2HB   LYS  30          1HB       LYS  30 -15.526   1.569   5.768
  350   1HG   LYS  30          2HG       LYS  30 -17.303   3.346   7.429
  351   2HG   LYS  30          1HG       LYS  30 -17.554   1.623   7.164
  352   1HD   LYS  30          2HD       LYS  30 -15.284   1.233   8.156
  353   2HD   LYS  30          1HD       LYS  30 -15.236   2.947   8.567
  354   1HE   LYS  30          2HE       LYS  30 -17.336   0.988   9.500
  355   2HE   LYS  30          1HE       LYS  30 -15.964   1.543  10.452
  356   1HZ   LYS  30          1HZ       LYS  30 -18.135   3.309   9.417
  357   2HZ   LYS  30          3HZ       LYS  30 -18.014   2.697  10.980
  358   3HZ   LYS  30          2HZ       LYS  30 -16.858   3.769  10.422
  359    QB   LYS  30           QB       LYS  30 -16.158   2.077   5.444
  360    QD   LYS  30           QD       LYS  30 -15.260   2.090   8.361
  361    QG   LYS  30           QG       LYS  30 -17.428   2.485   7.296
  362    QE   LYS  30           QE       LYS  30 -16.650   1.266   9.976
  363    QZ   LYS  30           QZ       LYS  30 -17.669   3.258  10.273
  364    H    VAL  31           H        VAL  31 -15.881   4.033   3.461
  365    HA   VAL  31           HA       VAL  31 -13.947   2.600   1.998
  366    HB   VAL  31           HB       VAL  31 -15.915   4.695   1.031
  367   1HG1  VAL  31          1HG1      VAL  31 -14.370   2.626  -0.542
  368   2HG1  VAL  31          3HG1      VAL  31 -15.631   3.675  -1.194
  369   3HG1  VAL  31          2HG1      VAL  31 -14.117   4.369  -0.602
  370   1HG2  VAL  31          3HG2      VAL  31 -16.103   1.682   1.089
  371   2HG2  VAL  31          2HG2      VAL  31 -17.004   2.805   2.106
  372   3HG2  VAL  31          1HG2      VAL  31 -17.292   2.766   0.370
  373    MG1  VAL  31           QG1      VAL  31 -14.706   3.557  -0.779
  374    MG2  VAL  31           QG2      VAL  31 -16.800   2.418   1.188
  375    QG   VAL  31           QQG      VAL  31 -15.753   2.987   0.205
  376    H    ILE  32           H        ILE  32 -14.235   5.990   2.828
  377    HA   ILE  32           HA       ILE  32 -12.159   7.092   1.263
  378    HB   ILE  32           HB       ILE  32 -12.864   7.840   4.119
  379   1HG1  ILE  32          2HG1      ILE  32 -14.843   7.876   2.687
  380   2HG1  ILE  32          1HG1      ILE  32 -14.356   9.470   3.243
  381   1HG2  ILE  32          2HG2      ILE  32 -10.773   8.828   3.414
  382   2HG2  ILE  32          1HG2      ILE  32 -11.534   9.472   1.962
  383   3HG2  ILE  32          3HG2      ILE  32 -12.013  10.073   3.551
  384   1HD1  ILE  32          1HD1      ILE  32 -13.406   9.931   1.025
  385   2HD1  ILE  32          3HD1      ILE  32 -13.864   8.310   0.496
  386   3HD1  ILE  32          2HD1      ILE  32 -15.111   9.487   0.911
  387    MG   ILE  32           QG2      ILE  32 -11.440   9.458   2.976
  388    MD   ILE  32           QD1      ILE  32 -14.127   9.243   0.811
  389    QG   ILE  32           QG1      ILE  32 -14.600   8.673   2.965
  390    H    SER  33           H        SER  33 -12.149   5.847   4.505
  391    HA   SER  33           HA       SER  33  -9.429   6.008   5.077
  392   1HB   SER  33          2HB       SER  33 -11.415   3.986   6.132
  393   2HB   SER  33          1HB       SER  33  -9.870   4.411   6.879
  394    HG   SER  33           HG       SER  33 -12.195   5.999   6.569
  395    QB   SER  33           QB       SER  33 -10.643   4.199   6.505
  396    H    PHE  34           H        PHE  34 -11.218   3.323   3.521
  397    HA   PHE  34           HA       PHE  34  -8.971   1.572   3.432
  398   1HB   PHE  34          2HB       PHE  34 -11.374   1.549   1.578
  399   2HB   PHE  34          1HB       PHE  34 -10.236   0.236   1.837
  400    HD1  PHE  34          1HD       PHE  34 -10.055   0.233   4.814
  401    HD2  PHE  34          2HD       PHE  34 -13.401   0.667   2.214
  402    HE1  PHE  34          1HE       PHE  34 -11.531  -0.693   6.552
  403    HE2  PHE  34          2HE       PHE  34 -14.876  -0.237   3.941
  404    HZ   PHE  34           HZ       PHE  34 -13.944  -0.926   6.123
  405    QB   PHE  34           QB       PHE  34 -10.805   0.893   1.708
  406    QD   PHE  34           QD       PHE  34 -11.728   0.450   3.514
  407    QE   PHE  34           QE       PHE  34 -13.203  -0.465   5.246
  408    QR   PHE  34           QR       PHE  34 -12.762  -0.191   4.729
  409    H    SER  35           H        SER  35 -10.158   4.085   1.358
  410    HA   SER  35           HA       SER  35  -8.479   3.495  -0.869
  411   1HB   SER  35          2HB       SER  35  -9.877   6.089  -0.141
  412   2HB   SER  35          1HB       SER  35  -9.221   5.660  -1.722
  413    HG   SER  35           HG       SER  35 -11.377   4.401  -0.351
  414    QB   SER  35           QB       SER  35  -9.549   5.874  -0.931
  415    H    GLN  36           H        GLN  36  -8.246   5.709   1.886
  416    HA   GLN  36           HA       GLN  36  -5.781   6.852   1.101
  417   1HB   GLN  36          2HB       GLN  36  -7.050   6.622   3.823
  418   2HB   GLN  36          1HB       GLN  36  -5.561   7.503   3.525
  419   1HG   GLN  36          2HG       GLN  36  -6.763   8.981   1.977
  420   2HG   GLN  36          1HG       GLN  36  -8.255   8.106   2.318
  421   1HE2  GLN  36          1HE2      GLN  36  -9.220   9.965   3.124
  422   2HE2  GLN  36          2HE2      GLN  36  -8.835  10.575   4.689
  423    QB   GLN  36           QB       GLN  36  -6.306   7.062   3.674
  424    QG   GLN  36           QG       GLN  36  -7.509   8.543   2.147
  425    QE   GLN  36           QE2      GLN  36  -9.028  10.270   3.906
  426    H    GLU  37           H        GLU  37  -6.578   3.951   2.870
  427    HA   GLU  37           HA       GLU  37  -4.059   3.240   3.858
  428   1HB   GLU  37          2HB       GLU  37  -6.151   2.058   4.405
  429   2HB   GLU  37          1HB       GLU  37  -6.272   1.494   2.749
  430   1HG   GLU  37          2HG       GLU  37  -5.467  -0.323   3.999
  431   2HG   GLU  37          1HG       GLU  37  -4.086   0.322   3.116
  432    QB   GLU  37           QB       GLU  37  -6.211   1.776   3.577
  433    QG   GLU  37           QG       GLU  37  -4.777  -0.001   3.558
  434    H    LEU  38           H        LEU  38  -5.563   2.894   0.699
  435    HA   LEU  38           HA       LEU  38  -3.549   1.240  -0.385
  436   1HB   LEU  38          2HB       LEU  38  -5.956   1.412  -1.162
  437   2HB   LEU  38          1HB       LEU  38  -5.543   2.946  -1.889
  438    HG   LEU  38           HG       LEU  38  -5.680   0.947  -3.446
  439   1HD1  LEU  38          3HD1      LEU  38  -3.063   2.445  -3.402
  440   2HD1  LEU  38          2HD1      LEU  38  -3.720   1.558  -4.775
  441   3HD1  LEU  38          1HD1      LEU  38  -4.556   2.987  -4.166
  442   1HD2  LEU  38          3HD2      LEU  38  -4.607  -0.666  -1.982
  443   2HD2  LEU  38          2HD2      LEU  38  -3.752  -0.535  -3.518
  444   3HD2  LEU  38          1HD2      LEU  38  -3.094   0.234  -2.082
  445    MD1  LEU  38           QD1      LEU  38  -3.780   2.330  -4.114
  446    MD2  LEU  38           QD2      LEU  38  -3.818  -0.322  -2.528
  447    QB   LEU  38           QB       LEU  38  -5.749   2.179  -1.525
  448    QD   LEU  38           QQD      LEU  38  -3.799   1.004  -3.321
  449    H    ASP  39           H        ASP  39  -4.225   4.713  -0.540
  450    HA   ASP  39           HA       ASP  39  -2.037   5.370  -2.200
  451   1HB   ASP  39          2HB       ASP  39  -3.526   7.067  -0.183
  452   2HB   ASP  39          1HB       ASP  39  -2.221   7.706  -1.172
  453    QB   ASP  39           QB       ASP  39  -2.874   7.386  -0.677
  454    H    ARG  40           H        ARG  40  -2.313   4.938   1.223
  455    HA   ARG  40           HA       ARG  40   0.206   5.821   2.062
  456   1HB   ARG  40          2HB       ARG  40  -1.592   5.303   3.606
  457   2HB   ARG  40          1HB       ARG  40  -1.561   3.622   3.114
  458   1HG   ARG  40          2HG       ARG  40   0.718   3.427   4.042
  459   2HG   ARG  40          1HG       ARG  40   0.591   5.097   4.611
  460   1HD   ARG  40          2HD       ARG  40  -1.252   2.841   5.371
  461   2HD   ARG  40          1HD       ARG  40   0.047   3.486   6.375
  462    HE   ARG  40           HE       ARG  40  -1.277   5.674   6.028
  463   1HH1  ARG  40          1HH1      ARG  40  -2.824   2.496   6.338
  464   2HH1  ARG  40          2HH1      ARG  40  -4.078   3.053   7.328
  465   1HH2  ARG  40          1HH2      ARG  40  -3.083   6.442   7.276
  466   2HH2  ARG  40          2HH2      ARG  40  -4.246   5.349   7.863
  467    QB   ARG  40           QB       ARG  40  -1.577   4.462   3.360
  468    QG   ARG  40           QG       ARG  40   0.654   4.262   4.326
  469    QD   ARG  40           QD       ARG  40  -0.602   3.164   5.873
  470    QH1  ARG  40           QH1      ARG  40  -3.451   2.775   6.833
  471    QH2  ARG  40           QH2      ARG  40  -3.665   5.896   7.570
  472    H    LEU  41           H        LEU  41  -0.878   2.696   0.817
  473    HA   LEU  41           HA       LEU  41   1.567   1.328   1.175
  474   1HB   LEU  41          2HB       LEU  41  -0.607   0.816  -0.851
  475   2HB   LEU  41          1HB       LEU  41   0.679  -0.297  -0.431
  476    HG   LEU  41           HG       LEU  41  -1.485   0.639   1.450
  477   1HD1  LEU  41          2HD1      LEU  41  -2.338  -0.800  -0.310
  478   2HD1  LEU  41          1HD1      LEU  41  -1.111  -2.011   0.072
  479   3HD1  LEU  41          3HD1      LEU  41  -2.342  -1.593   1.268
  480   1HD2  LEU  41          1HD2      LEU  41   0.692  -1.423   1.789
  481   2HD2  LEU  41          3HD2      LEU  41   0.560   0.117   2.644
  482   3HD2  LEU  41          2HD2      LEU  41  -0.639  -1.150   2.905
  483    MD1  LEU  41           QD1      LEU  41  -1.930  -1.468   0.343
  484    MD2  LEU  41           QD2      LEU  41   0.205  -0.819   2.446
  485    QB   LEU  41           QB       LEU  41   0.036   0.259  -0.641
  486    QD   LEU  41           QQD      LEU  41  -0.863  -1.143   1.395
  487    H    LEU  42           H        LEU  42   0.290   3.287  -1.407
  488    HA   LEU  42           HA       LEU  42   2.359   2.839  -3.262
  489   1HB   LEU  42          2HB       LEU  42   0.249   3.889  -3.901
  490   2HB   LEU  42          1HB       LEU  42   0.584   5.255  -2.862
  491    HG   LEU  42           HG       LEU  42   2.502   5.852  -4.314
  492   1HD1  LEU  42          2HD1      LEU  42   1.482   3.621  -6.060
  493   2HD1  LEU  42          1HD1      LEU  42   2.686   4.827  -6.527
  494   3HD1  LEU  42          3HD1      LEU  42   3.034   3.689  -5.229
  495   1HD2  LEU  42          3HD2      LEU  42  -0.153   5.610  -5.718
  496   2HD2  LEU  42          2HD2      LEU  42   0.339   6.916  -4.633
  497   3HD2  LEU  42          1HD2      LEU  42   1.162   6.693  -6.174
  498    MD1  LEU  42           QD1      LEU  42   2.401   4.046  -5.939
  499    MD2  LEU  42           QD2      LEU  42   0.449   6.406  -5.508
  500    QB   LEU  42           QB       LEU  42   0.416   4.572  -3.382
  501    QD   LEU  42           QQD      LEU  42   1.425   5.226  -5.723
  502    H    ASN  43           H        ASN  43   1.860   5.195  -0.688
  503    HA   ASN  43           HA       ASN  43   4.211   6.721  -0.952
  504   1HB   ASN  43          2HB       ASN  43   2.649   6.078   1.566
  505   2HB   ASN  43          1HB       ASN  43   3.909   7.294   1.461
  506   1HD2  ASN  43          1HD2      ASN  43   3.044   8.274  -1.197
  507   2HD2  ASN  43          2HD2      ASN  43   1.581   9.123  -0.880
  508    QB   ASN  43           QB       ASN  43   3.279   6.686   1.514
  509    QD   ASN  43           QD2      ASN  43   2.312   8.698  -1.039
  510    H    LEU  44           H        LEU  44   3.625   3.627   0.520
  511    HA   LEU  44           HA       LEU  44   6.087   3.417   1.891
  512   1HB   LEU  44          2HB       LEU  44   4.175   1.317   0.930
  513   2HB   LEU  44          1HB       LEU  44   5.582   0.929   1.895
  514    HG   LEU  44           HG       LEU  44   3.203   2.591   2.737
  515   1HD1  LEU  44          2HD1      LEU  44   2.778   0.191   2.619
  516   2HD1  LEU  44          1HD1      LEU  44   4.170  -0.112   3.648
  517   3HD1  LEU  44          3HD1      LEU  44   2.779   0.761   4.290
  518   1HD2  LEU  44          1HD2      LEU  44   5.686   1.849   4.294
  519   2HD2  LEU  44          3HD2      LEU  44   5.214   3.474   3.789
  520   3HD2  LEU  44          2HD2      LEU  44   4.243   2.596   4.968
  521    MD1  LEU  44           QD1      LEU  44   3.242   0.280   3.519
  522    MD2  LEU  44           QD2      LEU  44   5.048   2.640   4.350
  523    QB   LEU  44           QB       LEU  44   4.878   1.123   1.413
  524    QD   LEU  44           QQD      LEU  44   4.145   1.460   3.935
  525    H    LEU  45           H        LEU  45   5.166   2.695  -1.410
  526    HA   LEU  45           HA       LEU  45   7.623   1.406  -2.138
  527   1HB   LEU  45          2HB       LEU  45   5.624   2.925  -3.821
  528   2HB   LEU  45          1HB       LEU  45   6.975   2.028  -4.472
  529    HG   LEU  45           HG       LEU  45   4.673   0.813  -2.941
  530   1HD1  LEU  45          1HD1      LEU  45   5.308   0.861  -5.891
  531   2HD1  LEU  45          3HD1      LEU  45   4.005  -0.053  -5.136
  532   3HD1  LEU  45          2HD1      LEU  45   3.977   1.711  -5.101
  533   1HD2  LEU  45          1HD2      LEU  45   6.796  -0.441  -2.758
  534   2HD2  LEU  45          3HD2      LEU  45   5.589  -1.300  -3.715
  535   3HD2  LEU  45          2HD2      LEU  45   6.910  -0.457  -4.516
  536    MD1  LEU  45           QD1      LEU  45   4.430   0.839  -5.376
  537    MD2  LEU  45           QD2      LEU  45   6.432  -0.733  -3.663
  538    QB   LEU  45           QB       LEU  45   6.300   2.477  -4.146
  539    QD   LEU  45           QQD      LEU  45   5.431   0.053  -4.519
  540    H    ILE  46           H        ILE  46   6.446   4.658  -2.045
  541    HA   ILE  46           HA       ILE  46   8.645   5.899  -3.313
  542    HB   ILE  46           HB       ILE  46   6.549   7.041  -1.436
  543   1HG1  ILE  46          2HG1      ILE  46   6.719   7.075  -4.461
  544   2HG1  ILE  46          1HG1      ILE  46   5.670   6.028  -3.518
  545   1HG2  ILE  46          3HG2      ILE  46   8.517   8.453  -1.510
  546   2HG2  ILE  46          2HG2      ILE  46   8.452   8.496  -3.275
  547   3HG2  ILE  46          1HG2      ILE  46   7.160   9.241  -2.323
  548   1HD1  ILE  46          2HD1      ILE  46   5.543   9.036  -3.613
  549   2HD1  ILE  46          1HD1      ILE  46   4.458   7.921  -4.447
  550   3HD1  ILE  46          3HD1      ILE  46   4.470   7.987  -2.686
  551    MG   ILE  46           QG2      ILE  46   8.043   8.730  -2.369
  552    MD   ILE  46           QD1      ILE  46   4.824   8.315  -3.582
  553    QG   ILE  46           QG1      ILE  46   6.194   6.552  -3.989
  554    H    GLU  47           H        GLU  47   8.028   4.829  -0.111
  555    HA   GLU  47           HA       GLU  47   9.808   6.245   1.478
  556   1HB   GLU  47          2HB       GLU  47   8.176   4.701   2.318
  557   2HB   GLU  47          1HB       GLU  47   8.995   3.346   1.562
  558   1HG   GLU  47          2HG       GLU  47   9.480   3.253   3.875
  559   2HG   GLU  47          1HG       GLU  47  10.943   3.808   3.077
  560    QB   GLU  47           QB       GLU  47   8.586   4.024   1.940
  561    QG   GLU  47           QG       GLU  47  10.211   3.531   3.476
  562    H    LEU  48           H        LEU  48  10.440   3.523  -0.695
  563    HA   LEU  48           HA       LEU  48  13.211   3.348   0.064
  564   1HB   LEU  48          2HB       LEU  48  11.763   2.193  -2.328
  565   2HB   LEU  48          1HB       LEU  48  13.454   1.921  -1.991
  566    HG   LEU  48           HG       LEU  48  12.344  -0.020  -1.345
  567   1HD1  LEU  48          1HD1      LEU  48  14.013   0.646   0.231
  568   2HD1  LEU  48          3HD1      LEU  48  12.819   1.557   1.156
  569   3HD1  LEU  48          2HD1      LEU  48  12.696  -0.199   1.043
  570   1HD2  LEU  48          3HD2      LEU  48  10.057   0.797  -1.307
  571   2HD2  LEU  48          2HD2      LEU  48  10.421  -0.109   0.160
  572   3HD2  LEU  48          1HD2      LEU  48  10.374   1.658   0.201
  573    MD1  LEU  48           QD1      LEU  48  13.176   0.668   0.810
  574    MD2  LEU  48           QD2      LEU  48  10.284   0.782  -0.315
  575    QB   LEU  48           QB       LEU  48  12.608   2.057  -2.160
  576    QD   LEU  48           QQD      LEU  48  11.730   0.725   0.247
  577    H    LYS  49           H        LYS  49  11.393   4.648  -2.599
  578    HA   LYS  49           HA       LYS  49  13.620   5.457  -4.109
  579   1HB   LYS  49          2HB       LYS  49  10.714   6.202  -4.347
  580   2HB   LYS  49          1HB       LYS  49  11.944   6.742  -5.488
  581   1HG   LYS  49          2HG       LYS  49  12.483   4.390  -5.997
  582   2HG   LYS  49          1HG       LYS  49  11.223   3.874  -4.882
  583   1HD   LYS  49          2HD       LYS  49   9.521   4.863  -6.260
  584   2HD   LYS  49          1HD       LYS  49  10.729   5.602  -7.307
  585   1HE   LYS  49          2HE       LYS  49   9.820   3.633  -8.400
  586   2HE   LYS  49          1HE       LYS  49  11.499   3.338  -7.973
  587   1HZ   LYS  49          3HZ       LYS  49  10.719   2.062  -6.035
  588   2HZ   LYS  49          2HZ       LYS  49   9.116   2.352  -6.494
  589   3HZ   LYS  49          1HZ       LYS  49  10.104   1.430  -7.471
  590    QB   LYS  49           QB       LYS  49  11.329   6.472  -4.917
  591    QD   LYS  49           QD       LYS  49  10.125   5.233  -6.784
  592    QG   LYS  49           QG       LYS  49  11.853   4.132  -5.440
  593    QE   LYS  49           QE       LYS  49  10.659   3.485  -8.186
  594    QZ   LYS  49           QZ       LYS  49   9.980   1.948  -6.667
  595    H    THR  50           H        THR  50  11.908   7.109  -1.580
  596    HA   THR  50           HA       THR  50  12.948   9.668  -2.197
  597    HB   THR  50           HB       THR  50  10.964   9.323  -0.711
  598    HG1  THR  50          1HG       THR  50  12.193  11.280  -0.598
  599   1HG2  THR  50          1HG2      THR  50  11.754   7.422   0.601
  600   2HG2  THR  50          3HG2      THR  50  12.999   8.432   1.334
  601   3HG2  THR  50          2HG2      THR  50  11.298   8.755   1.660
  602    MG   THR  50           QG2      THR  50  12.017   8.203   1.198
  603    H    LYS  51           H        LYS  51  14.276   6.857  -0.621
  604    HA   LYS  51           HA       LYS  51  16.497   8.292   0.539
  605   1HB   LYS  51          2HB       LYS  51  15.955   5.317   0.360
  606   2HB   LYS  51          1HB       LYS  51  17.141   6.106   1.392
  607   1HG   LYS  51          2HG       LYS  51  15.376   7.158   2.676
  608   2HG   LYS  51          1HG       LYS  51  14.167   6.480   1.589
  609   1HD   LYS  51          2HD       LYS  51  14.872   4.217   2.260
  610   2HD   LYS  51          1HD       LYS  51  16.000   4.940   3.419
  611   1HE   LYS  51          2HE       LYS  51  14.141   6.041   4.535
  612   2HE   LYS  51          1HE       LYS  51  13.016   5.345   3.376
  613   1HZ   LYS  51          1HZ       LYS  51  13.621   3.123   4.225
  614   2HZ   LYS  51          3HZ       LYS  51  14.658   3.851   5.348
  615   3HZ   LYS  51          2HZ       LYS  51  13.017   4.128   5.428
  616    QB   LYS  51           QB       LYS  51  16.548   5.711   0.876
  617    QD   LYS  51           QD       LYS  51  15.436   4.578   2.839
  618    QG   LYS  51           QG       LYS  51  14.771   6.819   2.133
  619    QE   LYS  51           QE       LYS  51  13.579   5.693   3.956
  620    QZ   LYS  51           QZ       LYS  51  13.765   3.700   5.000
  621    H    LYS  52           H        LYS  52  15.553   6.418  -2.185
  622    HA   LYS  52           HA       LYS  52  16.357   5.838  -4.168
  623   1HB   LYS  52          2HB       LYS  52  17.795   7.307  -5.386
  624   2HB   LYS  52          1HB       LYS  52  16.677   8.240  -4.434
  625   1HG   LYS  52          2HG       LYS  52  18.462   8.707  -2.806
  626   2HG   LYS  52          1HG       LYS  52  19.592   7.807  -3.823
  627   1HD   LYS  52          2HD       LYS  52  19.166   9.327  -5.664
  628   2HD   LYS  52          1HD       LYS  52  18.014  10.220  -4.673
  629   1HE   LYS  52          2HE       LYS  52  19.835  10.757  -3.106
  630   2HE   LYS  52          1HE       LYS  52  20.961   9.907  -4.159
  631   1HZ   LYS  52          1HZ       LYS  52  19.336  12.241  -4.961
  632   2HZ   LYS  52          3HZ       LYS  52  20.968  12.304  -4.534
  633   3HZ   LYS  52          2HZ       LYS  52  20.468  11.448  -5.914
  634    QB   LYS  52           QB       LYS  52  17.236   7.774  -4.910
  635    QD   LYS  52           QD       LYS  52  18.590   9.773  -5.169
  636    QG   LYS  52           QG       LYS  52  19.027   8.257  -3.314
  637    QE   LYS  52           QE       LYS  52  20.398  10.332  -3.632
  638    QZ   LYS  52           QZ       LYS  52  20.257  11.997  -5.136
  639    H    LYS  53           H        LYS  53  18.845   5.995  -1.916
  640    HA   LYS  53           HA       LYS  53  20.660   4.266  -3.242
  641   1HB   LYS  53          2HB       LYS  53  21.719   4.066  -1.027
  642   2HB   LYS  53          1HB       LYS  53  21.399   5.733  -1.479
  643   1HG   LYS  53          2HG       LYS  53  19.425   5.772  -0.011
  644   2HG   LYS  53          1HG       LYS  53  19.703   4.077   0.342
  645   1HD   LYS  53          2HD       LYS  53  21.832   4.565   1.366
  646   2HD   LYS  53          1HD       LYS  53  21.650   6.283   0.994
  647   1HE   LYS  53          2HE       LYS  53  19.707   6.395   2.446
  648   2HE   LYS  53          1HE       LYS  53  19.810   4.666   2.756
  649   1HZ   LYS  53          1HZ       LYS  53  21.883   6.661   3.493
  650   2HZ   LYS  53          3HZ       LYS  53  20.787   5.942   4.562
  651   3HZ   LYS  53          2HZ       LYS  53  21.936   5.001   3.804
  652    QB   LYS  53           QB       LYS  53  21.559   4.900  -1.253
  653    QD   LYS  53           QD       LYS  53  21.741   5.424   1.180
  654    QG   LYS  53           QG       LYS  53  19.564   4.924   0.166
  655    QE   LYS  53           QE       LYS  53  19.758   5.531   2.601
  656    QZ   LYS  53           QZ       LYS  53  21.535   5.868   3.953
  657    H    ARG  54           H        ARG  54  17.833   3.673  -1.302
  658    HA   ARG  54           HA       ARG  54  18.627   0.903  -0.861
  659   1HB   ARG  54          2HB       ARG  54  16.255   2.384   0.273
  660   2HB   ARG  54          1HB       ARG  54  16.767   0.760   0.711
  661   1HG   ARG  54          2HG       ARG  54  18.923   1.730   1.517
  662   2HG   ARG  54          1HG       ARG  54  18.230   3.321   1.181
  663   1HD   ARG  54          2HD       ARG  54  18.024   2.790   3.515
  664   2HD   ARG  54          1HD       ARG  54  16.445   2.902   2.743
  665    HE   ARG  54           HE       ARG  54  16.240   0.564   2.855
  666   1HH1  ARG  54          1HH1      ARG  54  19.139   1.752   4.508
  667   2HH1  ARG  54          2HH1      ARG  54  19.230   0.419   5.557
  668   1HH2  ARG  54          1HH2      ARG  54  16.350  -1.199   4.297
  669   2HH2  ARG  54          2HH2      ARG  54  17.607  -1.317   5.451
  670    QB   ARG  54           QB       ARG  54  16.511   1.572   0.492
  671    QG   ARG  54           QG       ARG  54  18.576   2.525   1.349
  672    QD   ARG  54           QD       ARG  54  17.235   2.846   3.129
  673    QH1  ARG  54           QH1      ARG  54  19.184   1.086   5.032
  674    QH2  ARG  54           QH2      ARG  54  16.978  -1.258   4.874
  675    H    TYR  55           H        TYR  55  18.363  -0.133  -2.634
  676    HA   TYR  55           HA       TYR  55  17.498  -1.006  -4.468
  677   1HB   TYR  55          2HB       TYR  55  16.649  -2.434  -2.601
  678   2HB   TYR  55          1HB       TYR  55  15.135  -1.539  -2.655
  679    HD1  TYR  55          1HD       TYR  55  17.406  -3.451  -4.852
  680    HD2  TYR  55          2HD       TYR  55  13.424  -2.338  -3.983
  681    HE1  TYR  55          1HE       TYR  55  16.597  -4.960  -6.649
  682    HE2  TYR  55          2HE       TYR  55  12.598  -3.821  -5.753
  683    HH   TYR  55           HH       TYR  55  13.431  -4.760  -7.796
  684    QB   TYR  55           QB       TYR  55  15.892  -1.986  -2.628
  685    QD   TYR  55           QD       TYR  55  15.415  -2.894  -4.417
  686    QE   TYR  55           QE       TYR  55  14.598  -4.390  -6.201
  687    QR   TYR  55           QR       TYR  55  15.006  -3.642  -5.309
  688    H    SER  56           H        SER  56  17.392   1.374  -5.000
  689    HA   SER  56           HA       SER  56  14.958   1.615  -6.579
  690   1HB   SER  56          2HB       SER  56  16.041   3.933  -4.958
  691   2HB   SER  56          1HB       SER  56  14.659   3.998  -6.052
  692    HG   SER  56           HG       SER  56  14.792   2.253  -3.828
  693    QB   SER  56           QB       SER  56  15.350   3.965  -5.505
  694    H    LEU  57           H        LEU  57  18.191   2.856  -5.907
  695    HA   LEU  57           HA       LEU  57  18.502   3.313  -8.771
  696   1HB   LEU  57          2HB       LEU  57  20.009   4.386  -6.413
  697   2HB   LEU  57          1HB       LEU  57  20.547   4.571  -8.069
  698    HG   LEU  57           HG       LEU  57  17.921   5.603  -7.025
  699   1HD1  LEU  57          2HD1      LEU  57  20.574   6.965  -7.442
  700   2HD1  LEU  57          1HD1      LEU  57  19.017   7.795  -7.208
  701   3HD1  LEU  57          3HD1      LEU  57  19.640   6.748  -5.947
  702   1HD2  LEU  57          2HD2      LEU  57  19.390   6.060  -9.623
  703   2HD2  LEU  57          1HD2      LEU  57  17.892   5.153  -9.419
  704   3HD2  LEU  57          3HD2      LEU  57  17.918   6.887  -9.118
  705    MD1  LEU  57           QD1      LEU  57  19.744   7.169  -6.866
  706    MD2  LEU  57           QD2      LEU  57  18.400   6.034  -9.387
  707    QB   LEU  57           QB       LEU  57  20.278   4.479  -7.241
  708    QD   LEU  57           QQD      LEU  57  19.072   6.601  -8.126
  709    H    LEU  58           H        LEU  58  18.667   0.763  -7.213
  710    HA   LEU  58           HA       LEU  58  21.432  -0.001  -7.811
  711   1HB   LEU  58          2HB       LEU  58  19.136  -1.660  -6.709
  712   2HB   LEU  58          1HB       LEU  58  20.798  -2.191  -6.862
  713    HG   LEU  58           HG       LEU  58  19.780  -0.052  -4.986
  714   1HD1  LEU  58          2HD1      LEU  58  19.182  -2.308  -4.302
  715   2HD1  LEU  58          1HD1      LEU  58  20.862  -2.812  -4.456
  716   3HD1  LEU  58          3HD1      LEU  58  20.405  -1.627  -3.234
  717   1HD2  LEU  58          1HD2      LEU  58  22.578  -1.135  -5.354
  718   2HD2  LEU  58          3HD2      LEU  58  22.031   0.494  -5.757
  719   3HD2  LEU  58          2HD2      LEU  58  22.064  -0.034  -4.076
  720    MD1  LEU  58           QD1      LEU  58  20.150  -2.249  -3.997
  721    MD2  LEU  58           QD2      LEU  58  22.224  -0.225  -5.063
  722    QB   LEU  58           QB       LEU  58  19.967  -1.926  -6.786
  723    QD   LEU  58           QQD      LEU  58  21.187  -1.237  -4.530
  724    H    GLU  59           H        GLU  59  18.130  -0.333  -8.689
  725    HA   GLU  59           HA       GLU  59  18.851  -1.365 -11.293
  726   1HB   GLU  59          2HB       GLU  59  16.053  -1.509 -10.925
  727   2HB   GLU  59          1HB       GLU  59  17.171  -2.857 -10.976
  728   1HG   GLU  59          2HG       GLU  59  15.756  -3.036  -9.054
  729   2HG   GLU  59          1HG       GLU  59  17.405  -2.729  -8.532
  730    QB   GLU  59           QB       GLU  59  16.612  -2.183 -10.950
  731    QG   GLU  59           QG       GLU  59  16.581  -2.883  -8.793
  732    H    HIS  60           H        HIS  60  16.378  -0.439 -12.429
  733    HA   HIS  60           HA       HIS  60  15.552   1.267 -13.502
  734   1HB   HIS  60          2HB       HIS  60  15.998   2.654 -10.844
  735   2HB   HIS  60          1HB       HIS  60  15.175   3.347 -12.243
  736    HD1  HIS  60          1HD       HIS  60  14.575   0.961  -9.384
  737    HD2  HIS  60          2HD       HIS  60  12.703   2.191 -12.901
  738    HE1  HIS  60          1HE       HIS  60  12.199   0.249  -9.194
  739    QB   HIS  60           QB       HIS  60  15.586   3.000 -11.543
  740    H    HIS  61           H        HIS  61  16.074   3.922 -13.718
  741    HA   HIS  61           HA       HIS  61  17.359   5.381 -14.834
  742   1HB   HIS  61          2HB       HIS  61  18.672   5.409 -12.681
  743   2HB   HIS  61          1HB       HIS  61  19.705   4.145 -13.329
  744    HD1  HIS  61          1HD       HIS  61  19.566   7.761 -12.973
  745    HD2  HIS  61          2HD       HIS  61  21.148   5.110 -15.765
  746    HE1  HIS  61          1HE       HIS  61  21.290   9.041 -14.270
  747    QB   HIS  61           QB       HIS  61  19.189   4.777 -13.005
  748    H    HIS  62           H        HIS  62  16.675   4.117 -16.602
  749    HA   HIS  62           HA       HIS  62  16.955   3.355 -18.695
  750   1HB   HIS  62          2HB       HIS  62  19.879   3.933 -18.189
  751   2HB   HIS  62          1HB       HIS  62  19.245   3.401 -19.737
  752    HD1  HIS  62          1HD       HIS  62  18.071   5.172 -21.192
  753    HD2  HIS  62          2HD       HIS  62  19.200   6.565 -17.444
  754    HE1  HIS  62          1HE       HIS  62  17.819   7.674 -21.277
  755    QB   HIS  62           QB       HIS  62  19.562   3.667 -18.963
  756    H    HIS  63           H        HIS  63  17.510   1.600 -16.189
  757    HA   HIS  63           HA       HIS  63  17.901  -0.810 -17.700
  758   1HB   HIS  63          2HB       HIS  63  20.208  -0.304 -17.356
  759   2HB   HIS  63          1HB       HIS  63  19.941   0.113 -15.676
  760    HD1  HIS  63          1HD       HIS  63  20.493  -1.702 -14.039
  761    HD2  HIS  63          2HD       HIS  63  19.848  -3.185 -17.863
  762    HE1  HIS  63          1HE       HIS  63  21.012  -4.167 -13.928
  763    QB   HIS  63           QB       HIS  63  20.074  -0.095 -16.516
  764    H    HIS  64           H        HIS  64  15.987  -1.530 -17.052
  765    HA   HIS  64           HA       HIS  64  15.791  -2.368 -14.285
  766   1HB   HIS  64          2HB       HIS  64  14.341  -0.347 -14.522
  767   2HB   HIS  64          1HB       HIS  64  13.525  -1.110 -15.881
  768    HD1  HIS  64          1HD       HIS  64  11.491  -2.486 -15.317
  769    HD2  HIS  64          2HD       HIS  64  13.883  -1.748 -12.002
  770    HE1  HIS  64          1HE       HIS  64  10.219  -3.373 -13.330
  771    QB   HIS  64           QB       HIS  64  13.933  -0.728 -15.202

  No H/Q in entry =         771
  Start of MODEL   18
    1    H1   MET   1          2HT       MET   1   9.014  -3.564   3.877
    2    H2   MET   1          1HT       MET   1   9.629  -2.166   4.610
    3    H3   MET   1          3HT       MET   1   9.042  -2.139   3.046
    4    HA   MET   1           HA       MET   1  11.336  -2.053   2.863
    5   1HB   MET   1          2HB       MET   1  11.358  -4.625   4.469
    6   2HB   MET   1          1HB       MET   1  12.727  -4.025   3.556
    7   1HG   MET   1          2HG       MET   1  12.756  -2.001   4.973
    8   2HG   MET   1          1HG       MET   1  11.411  -2.669   5.897
    9   1HE   MET   1          3HE       MET   1  15.198  -3.097   4.909
   10   2HE   MET   1          2HE       MET   1  15.641  -4.548   5.805
   11   3HE   MET   1          1HE       MET   1  14.530  -4.661   4.441
   12    QB   MET   1           QB       MET   1  12.042  -4.325   4.012
   13    QG   MET   1           QG       MET   1  12.084  -2.335   5.435
   14    ME   MET   1           QE       MET   1  15.123  -4.102   5.052
   15    H    ASN   2           H        ASN   2   9.621  -5.219   2.789
   16    HA   ASN   2           HA       ASN   2  10.884  -5.932   0.336
   17   1HB   ASN   2          2HB       ASN   2   8.448  -7.152   1.652
   18   2HB   ASN   2          1HB       ASN   2   9.326  -7.845   0.294
   19   1HD2  ASN   2          1HD2      ASN   2  11.376  -8.737   0.667
   20   2HD2  ASN   2          2HD2      ASN   2  11.891  -9.128   2.266
   21    QB   ASN   2           QB       ASN   2   8.887  -7.499   0.973
   22    QD   ASN   2           QD2      ASN   2  11.633  -8.933   1.466
   23    H    VAL   3           H        VAL   3  10.531  -4.472  -1.162
   24    HA   VAL   3           HA       VAL   3   8.134  -3.182  -1.693
   25    HB   VAL   3           HB       VAL   3   9.102  -2.562  -3.909
   26   1HG1  VAL   3          1HG1      VAL   3  10.922  -2.263  -1.521
   27   2HG1  VAL   3          3HG1      VAL   3  10.975  -1.270  -2.978
   28   3HG1  VAL   3          2HG1      VAL   3   9.556  -1.227  -1.932
   29   1HG2  VAL   3          2HG2      VAL   3  10.364  -4.619  -4.364
   30   2HG2  VAL   3          1HG2      VAL   3  11.423  -3.203  -4.405
   31   3HG2  VAL   3          3HG2      VAL   3  11.425  -4.268  -3.000
   32    MG1  VAL   3           QG1      VAL   3  10.484  -1.586  -2.144
   33    MG2  VAL   3           QG2      VAL   3  11.070  -4.030  -3.923
   34    QG   VAL   3           QQG      VAL   3  10.777  -2.808  -3.033
   35    H    THR   4           H        THR   4   9.268  -6.275  -2.909
   36    HA   THR   4           HA       THR   4   7.315  -6.403  -4.915
   37    HB   THR   4           HB       THR   4   9.380  -7.831  -4.961
   38    HG1  THR   4          1HG       THR   4   7.406  -8.354  -6.131
   39   1HG2  THR   4          1HG2      THR   4   9.375  -8.532  -2.591
   40   2HG2  THR   4          3HG2      THR   4   7.928  -9.491  -2.899
   41   3HG2  THR   4          2HG2      THR   4   9.454  -9.914  -3.686
   42    MG   THR   4           QG2      THR   4   8.919  -9.312  -3.059
   43    H    LYS   5           H        LYS   5   7.310  -7.439  -1.553
   44    HA   LYS   5           HA       LYS   5   4.685  -8.527  -1.789
   45   1HB   LYS   5          2HB       LYS   5   6.534  -8.182   0.535
   46   2HB   LYS   5          1HB       LYS   5   4.845  -8.580   0.805
   47   1HG   LYS   5          2HG       LYS   5   6.779 -10.204  -0.856
   48   2HG   LYS   5          1HG       LYS   5   6.295 -10.572   0.798
   49   1HD   LYS   5          2HD       LYS   5   4.403 -10.467  -1.591
   50   2HD   LYS   5          1HD       LYS   5   5.055 -11.927  -0.864
   51   1HE   LYS   5          2HE       LYS   5   3.915 -11.454   1.225
   52   2HE   LYS   5          1HE       LYS   5   3.342  -9.912   0.596
   53   1HZ   LYS   5          3HZ       LYS   5   2.619 -12.537  -0.582
   54   2HZ   LYS   5          2HZ       LYS   5   1.662 -11.725   0.544
   55   3HZ   LYS   5          1HZ       LYS   5   1.949 -11.046  -0.970
   56    QB   LYS   5           QB       LYS   5   5.689  -8.381   0.670
   57    QD   LYS   5           QD       LYS   5   4.729 -11.197  -1.228
   58    QG   LYS   5           QG       LYS   5   6.537 -10.388  -0.029
   59    QE   LYS   5           QE       LYS   5   3.629 -10.683   0.910
   60    QZ   LYS   5           QZ       LYS   5   2.077 -11.769  -0.336
   61    H    LEU   6           H        LEU   6   6.045  -5.495  -0.959
   62    HA   LEU   6           HA       LEU   6   3.781  -4.372   0.236
   63   1HB   LEU   6          2HB       LEU   6   6.072  -3.361   0.227
   64   2HB   LEU   6          1HB       LEU   6   5.832  -2.991  -1.473
   65    HG   LEU   6           HG       LEU   6   4.081  -1.402  -0.948
   66   1HD1  LEU   6          1HD1      LEU   6   4.513  -2.216   1.921
   67   2HD1  LEU   6          3HD1      LEU   6   3.496  -0.885   1.374
   68   3HD1  LEU   6          2HD1      LEU   6   3.073  -2.547   0.955
   69   1HD2  LEU   6          2HD2      LEU   6   6.485  -1.047   0.831
   70   2HD2  LEU   6          1HD2      LEU   6   6.393  -0.617  -0.879
   71   3HD2  LEU   6          3HD2      LEU   6   5.389   0.229   0.302
   72    MD1  LEU   6           QD1      LEU   6   3.694  -1.883   1.416
   73    MD2  LEU   6           QD2      LEU   6   6.089  -0.478   0.085
   74    QB   LEU   6           QB       LEU   6   5.952  -3.176  -0.623
   75    QD   LEU   6           QQD      LEU   6   4.892  -1.181   0.751
   76    H    ASN   7           H        ASN   7   4.907  -4.364  -3.137
   77    HA   ASN   7           HA       ASN   7   2.689  -3.056  -4.235
   78   1HB   ASN   7          2HB       ASN   7   4.774  -3.357  -5.485
   79   2HB   ASN   7          1HB       ASN   7   4.539  -5.097  -5.488
   80   1HD2  ASN   7          1HD2      ASN   7   1.938  -2.761  -6.126
   81   2HD2  ASN   7          2HD2      ASN   7   1.763  -3.198  -7.779
   82    QB   ASN   7           QB       ASN   7   4.656  -4.227  -5.486
   83    QD   ASN   7           QD2      ASN   7   1.851  -2.980  -6.952
   84    H    ASP   8           H        ASP   8   3.355  -6.429  -3.632
   85    HA   ASP   8           HA       ASP   8   1.078  -7.603  -4.743
   86   1HB   ASP   8          2HB       ASP   8   3.015  -8.911  -4.037
   87   2HB   ASP   8          1HB       ASP   8   2.711  -8.470  -2.364
   88    QB   ASP   8           QB       ASP   8   2.863  -8.690  -3.200
   89    H    ARG   9           H        ARG   9   1.610  -6.403  -1.405
   90    HA   ARG   9           HA       ARG   9  -0.999  -7.162  -0.587
   91   1HB   ARG   9          2HB       ARG   9  -0.576  -6.111   1.520
   92   2HB   ARG   9          1HB       ARG   9   0.942  -6.817   0.994
   93   1HG   ARG   9          2HG       ARG   9   1.749  -4.656   0.337
   94   2HG   ARG   9          1HG       ARG   9   0.204  -3.931   0.774
   95   1HD   ARG   9          2HD       ARG   9   2.099  -5.338   2.661
   96   2HD   ARG   9          1HD       ARG   9   1.826  -3.601   2.526
   97    HE   ARG   9           HE       ARG   9  -0.492  -5.252   3.156
   98   1HH1  ARG   9          1HH1      ARG   9   2.006  -3.055   4.429
   99   2HH1  ARG   9          2HH1      ARG   9   1.199  -2.788   5.897
  100   1HH2  ARG   9          1HH2      ARG   9  -1.580  -4.877   5.176
  101   2HH2  ARG   9          2HH2      ARG   9  -0.913  -3.816   6.328
  102    QB   ARG   9           QB       ARG   9   0.183  -6.464   1.257
  103    QG   ARG   9           QG       ARG   9   0.977  -4.294   0.556
  104    QD   ARG   9           QD       ARG   9   1.962  -4.469   2.593
  105    QH1  ARG   9           QH1      ARG   9   1.602  -2.921   5.163
  106    QH2  ARG   9           QH2      ARG   9  -1.247  -4.346   5.752
  107    H    ILE  10           H        ILE  10   0.268  -4.361  -2.116
  108    HA   ILE  10           HA       ILE  10  -1.906  -2.614  -1.702
  109    HB   ILE  10           HB       ILE  10   0.117  -2.795  -3.946
  110   1HG1  ILE  10          2HG1      ILE  10  -0.225  -0.824  -1.697
  111   2HG1  ILE  10          1HG1      ILE  10   0.928  -2.155  -1.718
  112   1HG2  ILE  10          3HG2      ILE  10  -1.897  -1.768  -4.886
  113   2HG2  ILE  10          2HG2      ILE  10  -1.936  -0.613  -3.555
  114   3HG2  ILE  10          1HG2      ILE  10  -0.606  -0.576  -4.711
  115   1HD1  ILE  10          1HD1      ILE  10   0.876   0.180  -3.597
  116   2HD1  ILE  10          3HD1      ILE  10   1.988  -0.042  -2.250
  117   3HD1  ILE  10          2HD1      ILE  10   2.044  -1.142  -3.625
  118    MG   ILE  10           QG2      ILE  10  -1.480  -0.986  -4.384
  119    MD   ILE  10           QD1      ILE  10   1.636  -0.335  -3.157
  120    QG   ILE  10           QG1      ILE  10   0.352  -1.490  -1.707
  121    H    GLU  11           H        GLU  11  -1.265  -5.046  -4.161
  122    HA   GLU  11           HA       GLU  11  -3.556  -4.613  -5.726
  123   1HB   GLU  11          2HB       GLU  11  -1.568  -6.006  -6.351
  124   2HB   GLU  11          1HB       GLU  11  -2.134  -7.224  -5.227
  125   1HG   GLU  11          2HG       GLU  11  -4.186  -7.474  -6.515
  126   2HG   GLU  11          1HG       GLU  11  -3.611  -6.258  -7.654
  127    QB   GLU  11           QB       GLU  11  -1.851  -6.615  -5.789
  128    QG   GLU  11           QG       GLU  11  -3.899  -6.866  -7.084
  129    H    ALA  12           H        ALA  12  -2.928  -6.539  -2.891
  130    HA   ALA  12           HA       ALA  12  -5.410  -7.860  -2.710
  131   1HB   ALA  12          1HB       ALA  12  -3.400  -8.629  -1.559
  132   2HB   ALA  12          2HB       ALA  12  -4.715  -8.356  -0.406
  133   3HB   ALA  12          3HB       ALA  12  -3.414  -7.179  -0.561
  134    MB   ALA  12           QB       ALA  12  -3.843  -8.054  -0.842
  135    H    LYS  13           H        LYS  13  -4.359  -4.675  -1.800
  136    HA   LYS  13           HA       LYS  13  -6.516  -4.110   0.013
  137   1HB   LYS  13          2HB       LYS  13  -4.610  -2.292  -1.463
  138   2HB   LYS  13          1HB       LYS  13  -5.814  -1.688  -0.330
  139   1HG   LYS  13          2HG       LYS  13  -3.560  -3.583   0.317
  140   2HG   LYS  13          1HG       LYS  13  -3.550  -1.850   0.626
  141   1HD   LYS  13          2HD       LYS  13  -5.594  -3.749   1.794
  142   2HD   LYS  13          1HD       LYS  13  -4.106  -3.282   2.604
  143   1HE   LYS  13          2HE       LYS  13  -4.802  -0.952   2.604
  144   2HE   LYS  13          1HE       LYS  13  -6.261  -1.366   1.702
  145   1HZ   LYS  13          3HZ       LYS  13  -5.664  -2.615   4.284
  146   2HZ   LYS  13          2HZ       LYS  13  -6.434  -1.129   4.263
  147   3HZ   LYS  13          1HZ       LYS  13  -7.137  -2.503   3.500
  148    QB   LYS  13           QB       LYS  13  -5.212  -1.990  -0.896
  149    QD   LYS  13           QD       LYS  13  -4.850  -3.515   2.199
  150    QG   LYS  13           QG       LYS  13  -3.555  -2.717   0.472
  151    QE   LYS  13           QE       LYS  13  -5.531  -1.159   2.153
  152    QZ   LYS  13           QZ       LYS  13  -6.412  -2.083   4.016
  153    H    LYS  14           H        LYS  14  -5.847  -3.614  -3.354
  154    HA   LYS  14           HA       LYS  14  -8.091  -2.117  -4.050
  155   1HB   LYS  14          2HB       LYS  14  -6.513  -4.139  -5.635
  156   2HB   LYS  14          1HB       LYS  14  -7.715  -3.059  -6.334
  157   1HG   LYS  14          2HG       LYS  14  -6.414  -1.144  -5.698
  158   2HG   LYS  14          1HG       LYS  14  -5.273  -2.173  -4.845
  159   1HD   LYS  14          2HD       LYS  14  -4.539  -3.178  -6.818
  160   2HD   LYS  14          1HD       LYS  14  -5.837  -2.450  -7.780
  161   1HE   LYS  14          2HE       LYS  14  -3.660  -0.936  -6.345
  162   2HE   LYS  14          1HE       LYS  14  -3.648  -1.311  -8.072
  163   1HZ   LYS  14          1HZ       LYS  14  -5.751   0.335  -6.723
  164   2HZ   LYS  14          3HZ       LYS  14  -4.467   0.957  -7.608
  165   3HZ   LYS  14          2HZ       LYS  14  -5.622   0.025  -8.360
  166    QB   LYS  14           QB       LYS  14  -7.114  -3.599  -5.984
  167    QD   LYS  14           QD       LYS  14  -5.188  -2.814  -7.299
  168    QG   LYS  14           QG       LYS  14  -5.844  -1.659  -5.271
  169    QE   LYS  14           QE       LYS  14  -3.654  -1.123  -7.209
  170    QZ   LYS  14           QZ       LYS  14  -5.280   0.439  -7.564
  171    H    LYS  15           H        LYS  15  -7.628  -5.598  -3.834
  172    HA   LYS  15           HA       LYS  15 -10.197  -6.335  -4.816
  173   1HB   LYS  15          2HB       LYS  15  -8.458  -7.915  -2.929
  174   2HB   LYS  15          1HB       LYS  15  -9.718  -8.547  -3.972
  175   1HG   LYS  15          2HG       LYS  15  -7.071  -7.374  -4.798
  176   2HG   LYS  15          1HG       LYS  15  -7.591  -9.050  -4.920
  177   1HD   LYS  15          2HD       LYS  15  -8.792  -6.710  -6.413
  178   2HD   LYS  15          1HD       LYS  15  -7.672  -7.875  -7.098
  179   1HE   LYS  15          2HE       LYS  15 -10.426  -8.503  -6.022
  180   2HE   LYS  15          1HE       LYS  15 -10.005  -8.333  -7.719
  181   1HZ   LYS  15          3HZ       LYS  15  -8.520 -10.246  -7.497
  182   2HZ   LYS  15          2HZ       LYS  15  -8.947 -10.411  -5.873
  183   3HZ   LYS  15          1HZ       LYS  15 -10.096 -10.632  -7.058
  184    QB   LYS  15           QB       LYS  15  -9.088  -8.231  -3.450
  185    QD   LYS  15           QD       LYS  15  -8.232  -7.293  -6.755
  186    QG   LYS  15           QG       LYS  15  -7.331  -8.212  -4.859
  187    QE   LYS  15           QE       LYS  15 -10.215  -8.418  -6.871
  188    QZ   LYS  15           QZ       LYS  15  -9.188 -10.430  -6.809
  189    H    GLU  16           H        GLU  16  -9.038  -5.339  -1.795
  190    HA   GLU  16           HA       GLU  16 -11.167  -6.293  -0.144
  191   1HB   GLU  16          2HB       GLU  16  -8.945  -5.837   0.789
  192   2HB   GLU  16          1HB       GLU  16  -9.028  -4.177   0.246
  193   1HG   GLU  16          2HG       GLU  16 -10.753  -3.702   1.870
  194   2HG   GLU  16          1HG       GLU  16 -10.791  -5.400   2.354
  195    QB   GLU  16           QB       GLU  16  -8.986  -5.007   0.517
  196    QG   GLU  16           QG       GLU  16 -10.772  -4.551   2.112
  197    H    LEU  17           H        LEU  17 -10.177  -3.231  -1.529
  198    HA   LEU  17           HA       LEU  17 -12.383  -1.706  -0.824
  199   1HB   LEU  17          2HB       LEU  17 -10.196  -1.505  -2.756
  200   2HB   LEU  17          1HB       LEU  17 -11.595  -0.548  -3.142
  201    HG   LEU  17           HG       LEU  17  -9.998   0.826  -1.977
  202   1HD1  LEU  17          3HD1      LEU  17 -12.333   1.248  -1.443
  203   2HD1  LEU  17          2HD1      LEU  17 -12.231   0.140  -0.075
  204   3HD1  LEU  17          1HD1      LEU  17 -11.277   1.614  -0.080
  205   1HD2  LEU  17          1HD2      LEU  17  -8.719  -0.920  -0.856
  206   2HD2  LEU  17          3HD2      LEU  17  -9.213   0.329   0.285
  207   3HD2  LEU  17          2HD2      LEU  17 -10.068  -1.214   0.242
  208    MD1  LEU  17           QD1      LEU  17 -11.947   1.001  -0.533
  209    MD2  LEU  17           QD2      LEU  17  -9.333  -0.602  -0.109
  210    QB   LEU  17           QB       LEU  17 -10.895  -1.027  -2.949
  211    QD   LEU  17           QQD      LEU  17 -10.640   0.199  -0.321
  212    H    ILE  18           H        ILE  18 -11.806  -3.540  -3.813
  213    HA   ILE  18           HA       ILE  18 -14.084  -2.822  -5.216
  214    HB   ILE  18           HB       ILE  18 -12.768  -5.569  -5.205
  215   1HG1  ILE  18          2HG1      ILE  18 -12.379  -3.228  -7.083
  216   2HG1  ILE  18          1HG1      ILE  18 -11.261  -3.689  -5.806
  217   1HG2  ILE  18          2HG2      ILE  18 -15.033  -5.617  -6.157
  218   2HG2  ILE  18          1HG2      ILE  18 -14.590  -4.329  -7.270
  219   3HG2  ILE  18          3HG2      ILE  18 -13.801  -5.904  -7.389
  220   1HD1  ILE  18          3HD1      ILE  18 -10.910  -5.850  -6.930
  221   2HD1  ILE  18          2HD1      ILE  18 -11.986  -5.325  -8.223
  222   3HD1  ILE  18          1HD1      ILE  18 -10.471  -4.472  -7.940
  223    MG   ILE  18           QG2      ILE  18 -14.475  -5.283  -6.939
  224    MD   ILE  18           QD1      ILE  18 -11.122  -5.216  -7.698
  225    QG   ILE  18           QG1      ILE  18 -11.820  -3.459  -6.444
  226    H    TYR  19           H        TYR  19 -13.743  -5.407  -2.825
  227    HA   TYR  19           HA       TYR  19 -16.401  -6.338  -2.921
  228   1HB   TYR  19          2HB       TYR  19 -14.768  -7.733  -1.882
  229   2HB   TYR  19          1HB       TYR  19 -14.268  -6.458  -0.781
  230    HD1  TYR  19          1HD       TYR  19 -15.220  -6.324   1.357
  231    HD2  TYR  19          2HD       TYR  19 -17.148  -8.683  -1.609
  232    HE1  TYR  19          1HE       TYR  19 -16.776  -7.156   3.052
  233    HE2  TYR  19          2HE       TYR  19 -18.718  -9.529   0.091
  234    HH   TYR  19           HH       TYR  19 -18.934  -8.090   3.201
  235    QB   TYR  19           QB       TYR  19 -14.518  -7.095  -1.332
  236    QD   TYR  19           QD       TYR  19 -16.184  -7.504  -0.126
  237    QE   TYR  19           QE       TYR  19 -17.747  -8.343   1.571
  238    QR   TYR  19           QR       TYR  19 -16.965  -7.923   0.723
  239    H    LEU  20           H        LEU  20 -14.845  -3.899  -0.916
  240    HA   LEU  20           HA       LEU  20 -17.078  -3.425   0.736
  241   1HB   LEU  20          2HB       LEU  20 -14.755  -1.615   0.155
  242   2HB   LEU  20          1HB       LEU  20 -15.910  -1.464   1.469
  243    HG   LEU  20           HG       LEU  20 -13.957  -3.732   1.139
  244   1HD1  LEU  20          1HD1      LEU  20 -12.874  -1.619   1.642
  245   2HD1  LEU  20          3HD1      LEU  20 -13.968  -1.388   3.008
  246   3HD1  LEU  20          2HD1      LEU  20 -12.815  -2.720   3.018
  247   1HD2  LEU  20          3HD2      LEU  20 -16.013  -4.390   2.310
  248   2HD2  LEU  20          2HD2      LEU  20 -14.632  -4.340   3.401
  249   3HD2  LEU  20          1HD2      LEU  20 -15.814  -3.029   3.414
  250    MD1  LEU  20           QD1      LEU  20 -13.219  -1.909   2.556
  251    MD2  LEU  20           QD2      LEU  20 -15.486  -3.919   3.042
  252    QB   LEU  20           QB       LEU  20 -15.333  -1.539   0.812
  253    QD   LEU  20           QQD      LEU  20 -14.353  -2.914   2.799
  254    H    VAL  21           H        VAL  21 -15.946  -1.848  -2.213
  255    HA   VAL  21           HA       VAL  21 -17.829   0.252  -2.147
  256    HB   VAL  21           HB       VAL  21 -16.465  -0.992  -4.563
  257   1HG1  VAL  21          1HG1      VAL  21 -18.449   0.275  -5.259
  258   2HG1  VAL  21          3HG1      VAL  21 -17.882   1.675  -4.347
  259   3HG1  VAL  21          2HG1      VAL  21 -16.970   1.104  -5.747
  260   1HG2  VAL  21          2HG2      VAL  21 -15.767   1.452  -2.944
  261   2HG2  VAL  21          1HG2      VAL  21 -14.888  -0.078  -2.966
  262   3HG2  VAL  21          3HG2      VAL  21 -14.939   0.931  -4.412
  263    MG1  VAL  21           QG1      VAL  21 -17.767   1.018  -5.118
  264    MG2  VAL  21           QG2      VAL  21 -15.198   0.768  -3.440
  265    QG   VAL  21           QQG      VAL  21 -16.483   0.893  -4.279
  266    H    GLU  22           H        GLU  22 -18.052  -3.015  -3.396
  267    HA   GLU  22           HA       GLU  22 -20.597  -2.660  -4.605
  268   1HB   GLU  22          2HB       GLU  22 -19.293  -5.191  -3.590
  269   2HB   GLU  22          1HB       GLU  22 -20.762  -5.137  -4.546
  270   1HG   GLU  22          2HG       GLU  22 -18.014  -4.268  -5.411
  271   2HG   GLU  22          1HG       GLU  22 -18.890  -5.700  -5.945
  272    QB   GLU  22           QB       GLU  22 -20.028  -5.164  -4.068
  273    QG   GLU  22           QG       GLU  22 -18.452  -4.984  -5.678
  274    H    LYS  23           H        LYS  23 -19.576  -3.644  -1.400
  275    HA   LYS  23           HA       LYS  23 -22.267  -4.294  -0.570
  276   1HB   LYS  23          2HB       LYS  23 -19.728  -4.191   1.040
  277   2HB   LYS  23          1HB       LYS  23 -21.267  -4.786   1.630
  278   1HG   LYS  23          2HG       LYS  23 -19.736  -5.965  -0.683
  279   2HG   LYS  23          1HG       LYS  23 -19.691  -6.573   0.965
  280   1HD   LYS  23          2HD       LYS  23 -22.190  -6.393  -0.732
  281   2HD   LYS  23          1HD       LYS  23 -21.216  -7.846  -0.538
  282   1HE   LYS  23          2HE       LYS  23 -21.632  -7.740   1.907
  283   2HE   LYS  23          1HE       LYS  23 -22.687  -6.354   1.640
  284   1HZ   LYS  23          2HZ       LYS  23 -24.131  -7.784   0.285
  285   2HZ   LYS  23          1HZ       LYS  23 -23.121  -9.103   0.581
  286   3HZ   LYS  23          3HZ       LYS  23 -23.937  -8.374   1.852
  287    QB   LYS  23           QB       LYS  23 -20.497  -4.489   1.335
  288    QD   LYS  23           QD       LYS  23 -21.703  -7.120  -0.635
  289    QG   LYS  23           QG       LYS  23 -19.714  -6.269   0.141
  290    QE   LYS  23           QE       LYS  23 -22.159  -7.047   1.774
  291    QZ   LYS  23           QZ       LYS  23 -23.730  -8.420   0.906
  292    H    TYR  24           H        TYR  24 -19.973  -1.726   0.277
  293    HA   TYR  24           HA       TYR  24 -22.083  -0.457   1.900
  294   1HB   TYR  24          2HB       TYR  24 -19.116   0.120   1.794
  295   2HB   TYR  24          1HB       TYR  24 -20.269   0.864   2.892
  296    HD1  TYR  24          1HD       TYR  24 -18.358  -2.141   2.101
  297    HD2  TYR  24          2HD       TYR  24 -21.101  -0.372   4.820
  298    HE1  TYR  24          1HE       TYR  24 -17.899  -3.924   3.711
  299    HE2  TYR  24          2HE       TYR  24 -20.651  -2.161   6.446
  300    HH   TYR  24           HH       TYR  24 -19.825  -4.410   6.475
  301    QB   TYR  24           QB       TYR  24 -19.692   0.492   2.343
  302    QD   TYR  24           QD       TYR  24 -19.730  -1.256   3.460
  303    QE   TYR  24           QE       TYR  24 -19.275  -3.043   5.078
  304    QR   TYR  24           QR       TYR  24 -19.502  -2.150   4.269
  305    H    GLY  25           H        GLY  25 -19.774   0.081  -0.663
  306   1HA   GLY  25          1HA       GLY  25 -21.139   2.604  -1.286
  307   2HA   GLY  25          2HA       GLY  25 -20.469   1.517  -2.510
  308    QA   GLY  25           QA       GLY  25 -20.804   2.061  -1.898
  309    H    PHE  26           H        PHE  26 -19.783   4.219  -2.282
  310    HA   PHE  26           HA       PHE  26 -16.963   3.931  -1.574
  311   1HB   PHE  26          2HB       PHE  26 -16.553   5.838  -3.135
  312   2HB   PHE  26          1HB       PHE  26 -17.250   4.436  -3.927
  313    HD1  PHE  26          1HD       PHE  26 -19.587   4.495  -4.708
  314    HD2  PHE  26          2HD       PHE  26 -17.715   7.923  -3.025
  315    HE1  PHE  26          1HE       PHE  26 -21.348   5.922  -5.668
  316    HE2  PHE  26          2HE       PHE  26 -19.468   9.352  -3.974
  317    HZ   PHE  26           HZ       PHE  26 -21.293   8.352  -5.299
  318    QB   PHE  26           QB       PHE  26 -16.902   5.137  -3.531
  319    QD   PHE  26           QD       PHE  26 -18.651   6.209  -3.867
  320    QE   PHE  26           QE       PHE  26 -20.408   7.637  -4.821
  321    QR   PHE  26           QR       PHE  26 -19.882   7.209  -4.535
  322    H    THR  27           H        THR  27 -19.754   5.159  -0.419
  323    HA   THR  27           HA       THR  27 -18.388   7.319   0.966
  324    HB   THR  27           HB       THR  27 -21.379   7.003   0.553
  325    HG1  THR  27          1HG       THR  27 -20.860   7.677  -1.375
  326   1HG2  THR  27          3HG2      THR  27 -19.711   9.325   1.563
  327   2HG2  THR  27          2HG2      THR  27 -21.455   9.358   1.302
  328   3HG2  THR  27          1HG2      THR  27 -20.768   8.311   2.544
  329    MG   THR  27           QG2      THR  27 -20.645   8.998   1.803
  330    H    HIS  28           H        HIS  28 -17.542   5.693   2.349
  331    HA   HIS  28           HA       HIS  28 -19.173   5.440   4.716
  332   1HB   HIS  28          2HB       HIS  28 -19.478   3.305   3.186
  333   2HB   HIS  28          1HB       HIS  28 -17.834   2.925   3.682
  334    HD1  HIS  28          1HD       HIS  28 -21.355   2.779   4.822
  335    HD2  HIS  28          2HD       HIS  28 -17.566   2.348   6.466
  336    HE1  HIS  28          1HE       HIS  28 -21.688   1.689   7.059
  337    QB   HIS  28           QB       HIS  28 -18.656   3.115   3.434
  338    H    HIS  29           H        HIS  29 -17.722   5.442   6.567
  339    HA   HIS  29           HA       HIS  29 -15.243   6.555   5.873
  340   1HB   HIS  29          2HB       HIS  29 -16.388   7.160   7.995
  341   2HB   HIS  29          1HB       HIS  29 -15.995   5.574   8.645
  342    HD1  HIS  29          1HD       HIS  29 -14.141   5.998  10.369
  343    HD2  HIS  29          2HD       HIS  29 -13.610   8.139   6.845
  344    HE1  HIS  29          1HE       HIS  29 -11.919   7.138  10.558
  345    QB   HIS  29           QB       HIS  29 -16.191   6.367   8.320
  346    H    LYS  30           H        LYS  30 -16.060   3.284   6.794
  347    HA   LYS  30           HA       LYS  30 -13.590   2.106   7.077
  348   1HB   LYS  30          2HB       LYS  30 -16.031   1.085   5.633
  349   2HB   LYS  30          1HB       LYS  30 -14.587   0.116   5.802
  350   1HG   LYS  30          2HG       LYS  30 -16.212   1.208   8.096
  351   2HG   LYS  30          1HG       LYS  30 -16.345  -0.423   7.443
  352   1HD   LYS  30          2HD       LYS  30 -13.912  -0.739   7.968
  353   2HD   LYS  30          1HD       LYS  30 -13.945   0.818   8.791
  354   1HE   LYS  30          2HE       LYS  30 -15.633  -1.588   9.492
  355   2HE   LYS  30          1HE       LYS  30 -14.199  -1.052  10.356
  356   1HZ   LYS  30          3HZ       LYS  30 -16.726   0.491  10.091
  357   2HZ   LYS  30          2HZ       LYS  30 -16.185  -0.353  11.456
  358   3HZ   LYS  30          1HZ       LYS  30 -15.333   0.988  10.917
  359    QB   LYS  30           QB       LYS  30 -15.309   0.600   5.717
  360    QD   LYS  30           QD       LYS  30 -13.928   0.039   8.379
  361    QG   LYS  30           QG       LYS  30 -16.279   0.392   7.769
  362    QE   LYS  30           QE       LYS  30 -14.916  -1.320   9.924
  363    QZ   LYS  30           QZ       LYS  30 -16.081   0.375  10.821
  364    H    VAL  31           H        VAL  31 -15.281   2.541   3.960
  365    HA   VAL  31           HA       VAL  31 -13.135   1.535   2.464
  366    HB   VAL  31           HB       VAL  31 -14.259   2.306   0.448
  367   1HG1  VAL  31          3HG1      VAL  31 -15.038   0.308   1.500
  368   2HG1  VAL  31          2HG1      VAL  31 -16.176   1.224   2.486
  369   3HG1  VAL  31          1HG1      VAL  31 -16.394   1.140   0.733
  370   1HG2  VAL  31          2HG2      VAL  31 -16.155   3.774   2.275
  371   2HG2  VAL  31          1HG2      VAL  31 -15.013   4.505   1.146
  372   3HG2  VAL  31          3HG2      VAL  31 -16.373   3.560   0.538
  373    MG1  VAL  31           QG1      VAL  31 -15.869   0.891   1.573
  374    MG2  VAL  31           QG2      VAL  31 -15.847   3.946   1.319
  375    QG   VAL  31           QQG      VAL  31 -15.858   2.419   1.446
  376    H    ILE  32           H        ILE  32 -13.923   4.778   3.427
  377    HA   ILE  32           HA       ILE  32 -11.981   6.051   1.803
  378    HB   ILE  32           HB       ILE  32 -13.234   6.992   4.409
  379   1HG1  ILE  32          2HG1      ILE  32 -13.945   7.603   1.528
  380   2HG1  ILE  32          1HG1      ILE  32 -14.835   6.522   2.590
  381   1HG2  ILE  32          1HG2      ILE  32 -11.158   8.214   3.943
  382   2HG2  ILE  32          3HG2      ILE  32 -11.730   8.581   2.314
  383   3HG2  ILE  32          2HG2      ILE  32 -12.562   9.256   3.712
  384   1HD1  ILE  32          3HD1      ILE  32 -15.375   8.405   4.043
  385   2HD1  ILE  32          2HD1      ILE  32 -14.479   9.480   2.972
  386   3HD1  ILE  32          1HD1      ILE  32 -15.935   8.671   2.392
  387    MG   ILE  32           QG2      ILE  32 -11.817   8.684   3.323
  388    MD   ILE  32           QD1      ILE  32 -15.263   8.852   3.136
  389    QG   ILE  32           QG1      ILE  32 -14.390   7.063   2.059
  390    H    SER  33           H        SER  33 -11.901   4.678   5.038
  391    HA   SER  33           HA       SER  33  -9.318   5.562   5.712
  392   1HB   SER  33          2HB       SER  33 -10.880   3.180   6.711
  393   2HB   SER  33          1HB       SER  33  -9.435   3.847   7.476
  394    HG   SER  33           HG       SER  33 -11.920   5.162   7.068
  395    QB   SER  33           QB       SER  33 -10.157   3.513   7.094
  396    H    PHE  34           H        PHE  34 -10.475   2.513   4.269
  397    HA   PHE  34           HA       PHE  34  -7.877   1.392   4.092
  398   1HB   PHE  34          2HB       PHE  34 -10.351   0.681   2.494
  399   2HB   PHE  34          1HB       PHE  34  -8.869  -0.261   2.534
  400    HD1  PHE  34          1HD       PHE  34 -12.064  -0.041   3.807
  401    HD2  PHE  34          2HD       PHE  34  -8.096  -0.857   5.047
  402    HE1  PHE  34          1HE       PHE  34 -12.936  -1.266   5.719
  403    HE2  PHE  34          2HE       PHE  34  -8.956  -2.100   6.989
  404    HZ   PHE  34           HZ       PHE  34 -11.374  -2.307   7.335
  405    QB   PHE  34           QB       PHE  34  -9.610   0.210   2.514
  406    QD   PHE  34           QD       PHE  34 -10.080  -0.449   4.427
  407    QE   PHE  34           QE       PHE  34 -10.946  -1.683   6.354
  408    QR   PHE  34           QR       PHE  34 -10.685  -1.314   5.779
  409    H    SER  35           H        SER  35  -9.761   3.413   1.911
  410    HA   SER  35           HA       SER  35  -8.071   3.189  -0.321
  411   1HB   SER  35          2HB       SER  35  -9.849   5.496   0.517
  412   2HB   SER  35          1HB       SER  35  -9.110   5.314  -1.077
  413    HG   SER  35           HG       SER  35 -11.075   3.697   0.158
  414    QB   SER  35           QB       SER  35  -9.480   5.405  -0.280
  415    H    GLN  36           H        GLN  36  -7.960   5.285   2.514
  416    HA   GLN  36           HA       GLN  36  -5.816   6.898   1.690
  417   1HB   GLN  36          2HB       GLN  36  -6.756   6.093   4.431
  418   2HB   GLN  36          1HB       GLN  36  -5.440   7.230   4.164
  419   1HG   GLN  36          2HG       GLN  36  -6.913   8.742   3.035
  420   2HG   GLN  36          1HG       GLN  36  -8.235   7.577   3.120
  421   1HE2  GLN  36          1HE2      GLN  36  -9.275   7.283   5.005
  422   2HE2  GLN  36          2HE2      GLN  36  -9.102   8.296   6.393
  423    QB   GLN  36           QB       GLN  36  -6.098   6.662   4.298
  424    QG   GLN  36           QG       GLN  36  -7.574   8.160   3.077
  425    QE   GLN  36           QE2      GLN  36  -9.189   7.789   5.699
  426    H    GLU  37           H        GLU  37  -5.916   3.722   3.173
  427    HA   GLU  37           HA       GLU  37  -3.121   3.526   3.643
  428   1HB   GLU  37          2HB       GLU  37  -5.114   1.314   3.162
  429   2HB   GLU  37          1HB       GLU  37  -3.497   1.110   3.817
  430   1HG   GLU  37          2HG       GLU  37  -4.167   2.489   5.749
  431   2HG   GLU  37          1HG       GLU  37  -5.802   2.550   5.092
  432    QB   GLU  37           QB       GLU  37  -4.306   1.212   3.489
  433    QG   GLU  37           QG       GLU  37  -4.985   2.520   5.421
  434    H    LEU  38           H        LEU  38  -5.252   2.515   1.026
  435    HA   LEU  38           HA       LEU  38  -3.412   1.265  -0.656
  436   1HB   LEU  38          2HB       LEU  38  -5.924   1.293  -0.884
  437   2HB   LEU  38          1HB       LEU  38  -5.829   2.944  -1.425
  438    HG   LEU  38           HG       LEU  38  -6.281   1.270  -3.225
  439   1HD1  LEU  38          2HD1      LEU  38  -3.728   2.811  -3.590
  440   2HD1  LEU  38          1HD1      LEU  38  -4.716   2.129  -4.886
  441   3HD1  LEU  38          3HD1      LEU  38  -5.358   3.414  -3.861
  442   1HD2  LEU  38          3HD2      LEU  38  -3.474   0.386  -2.654
  443   2HD2  LEU  38          2HD2      LEU  38  -4.956  -0.545  -2.418
  444   3HD2  LEU  38          1HD2      LEU  38  -4.439  -0.107  -4.048
  445    MD1  LEU  38           QD1      LEU  38  -4.601   2.785  -4.112
  446    MD2  LEU  38           QD2      LEU  38  -4.290  -0.089  -3.040
  447    QB   LEU  38           QB       LEU  38  -5.877   2.118  -1.155
  448    QD   LEU  38           QQD      LEU  38  -4.445   1.348  -3.576
  449    H    ASP  39           H        ASP  39  -4.450   4.610  -0.512
  450    HA   ASP  39           HA       ASP  39  -2.873   5.817  -2.455
  451   1HB   ASP  39          2HB       ASP  39  -4.736   6.884  -1.271
  452   2HB   ASP  39          1HB       ASP  39  -3.806   6.878   0.213
  453    QB   ASP  39           QB       ASP  39  -4.271   6.881  -0.529
  454    H    ARG  40           H        ARG  40  -2.233   5.348   0.977
  455    HA   ARG  40           HA       ARG  40   0.259   6.659   1.133
  456   1HB   ARG  40          2HB       ARG  40  -1.277   6.121   3.025
  457   2HB   ARG  40          1HB       ARG  40  -0.824   4.439   2.857
  458   1HG   ARG  40          2HG       ARG  40   1.505   5.048   3.400
  459   2HG   ARG  40          1HG       ARG  40   0.979   6.715   3.660
  460   1HD   ARG  40          2HD       ARG  40   0.065   4.265   5.160
  461   2HD   ARG  40          1HD       ARG  40   1.060   5.579   5.786
  462    HE   ARG  40           HE       ARG  40  -1.005   6.994   5.236
  463   1HH1  ARG  40          1HH1      ARG  40  -1.112   3.670   6.436
  464   2HH1  ARG  40          2HH1      ARG  40  -2.624   3.814   7.178
  465   1HH2  ARG  40          1HH2      ARG  40  -3.157   7.196   6.283
  466   2HH2  ARG  40          2HH2      ARG  40  -3.794   5.851   7.090
  467    QB   ARG  40           QB       ARG  40  -1.050   5.280   2.941
  468    QG   ARG  40           QG       ARG  40   1.242   5.882   3.530
  469    QD   ARG  40           QD       ARG  40   0.562   4.922   5.473
  470    QH1  ARG  40           QH1      ARG  40  -1.868   3.742   6.807
  471    QH2  ARG  40           QH2      ARG  40  -3.475   6.524   6.687
  472    H    LEU  41           H        LEU  41  -0.603   3.232   0.797
  473    HA   LEU  41           HA       LEU  41   2.062   2.320   0.823
  474   1HB   LEU  41          2HB       LEU  41  -0.554   1.049   0.175
  475   2HB   LEU  41          1HB       LEU  41   0.916   0.234  -0.309
  476    HG   LEU  41           HG       LEU  41   1.649   0.087   2.004
  477   1HD1  LEU  41          3HD1      LEU  41   0.655   2.100   2.938
  478   2HD1  LEU  41          2HD1      LEU  41  -0.954   1.403   2.757
  479   3HD1  LEU  41          1HD1      LEU  41   0.200   0.675   3.874
  480   1HD2  LEU  41          3HD2      LEU  41   0.319  -1.712   1.098
  481   2HD2  LEU  41          2HD2      LEU  41  -0.026  -1.499   2.814
  482   3HD2  LEU  41          1HD2      LEU  41  -1.163  -0.905   1.605
  483    MD1  LEU  41           QD1      LEU  41  -0.033   1.393   3.190
  484    MD2  LEU  41           QD2      LEU  41  -0.290  -1.372   1.839
  485    QB   LEU  41           QB       LEU  41   0.181   0.642  -0.067
  486    QD   LEU  41           QQD      LEU  41  -0.162   0.010   2.514
  487    H    LEU  42           H        LEU  42  -0.087   3.220  -1.789
  488    HA   LEU  42           HA       LEU  42   1.516   2.391  -3.956
  489   1HB   LEU  42          2HB       LEU  42  -0.749   3.193  -4.285
  490   2HB   LEU  42          1HB       LEU  42  -0.308   4.786  -3.696
  491    HG   LEU  42           HG       LEU  42   1.295   4.915  -5.651
  492   1HD1  LEU  42          1HD1      LEU  42  -0.294   2.564  -6.625
  493   2HD1  LEU  42          3HD1      LEU  42   0.816   3.537  -7.594
  494   3HD1  LEU  42          2HD1      LEU  42   1.425   2.601  -6.228
  495   1HD2  LEU  42          2HD2      LEU  42  -1.668   4.803  -6.187
  496   2HD2  LEU  42          1HD2      LEU  42  -0.735   6.181  -5.594
  497   3HD2  LEU  42          3HD2      LEU  42  -0.466   5.579  -7.228
  498    MD1  LEU  42           QD1      LEU  42   0.649   2.901  -6.816
  499    MD2  LEU  42           QD2      LEU  42  -0.956   5.521  -6.336
  500    QB   LEU  42           QB       LEU  42  -0.529   3.990  -3.990
  501    QD   LEU  42           QQD      LEU  42  -0.154   4.211  -6.576
  502    H    ASN  43           H        ASN  43   1.415   5.351  -2.089
  503    HA   ASN  43           HA       ASN  43   3.401   6.769  -3.449
  504   1HB   ASN  43          2HB       ASN  43   1.778   7.743  -1.828
  505   2HB   ASN  43          1HB       ASN  43   2.673   6.971  -0.526
  506   1HD2  ASN  43          1HD2      ASN  43   3.975   8.523  -3.408
  507   2HD2  ASN  43          2HD2      ASN  43   4.838   9.756  -2.574
  508    QB   ASN  43           QB       ASN  43   2.225   7.357  -1.177
  509    QD   ASN  43           QD2      ASN  43   4.407   9.139  -2.991
  510    H    LEU  44           H        LEU  44   3.552   4.468  -0.803
  511    HA   LEU  44           HA       LEU  44   6.248   4.725  -0.097
  512   1HB   LEU  44          2HB       LEU  44   4.464   2.307  -0.062
  513   2HB   LEU  44          1HB       LEU  44   6.050   2.317   0.666
  514    HG   LEU  44           HG       LEU  44   3.656   3.965   1.512
  515   1HD1  LEU  44          1HD1      LEU  44   3.499   1.604   2.122
  516   2HD1  LEU  44          3HD1      LEU  44   5.091   1.692   2.868
  517   3HD1  LEU  44          2HD1      LEU  44   3.750   2.615   3.542
  518   1HD2  LEU  44          1HD2      LEU  44   6.440   3.862   2.677
  519   2HD2  LEU  44          3HD2      LEU  44   5.699   5.246   1.872
  520   3HD2  LEU  44          2HD2      LEU  44   5.058   4.670   3.410
  521    MD1  LEU  44           QD1      LEU  44   4.114   1.970   2.844
  522    MD2  LEU  44           QD2      LEU  44   5.732   4.593   2.653
  523    QB   LEU  44           QB       LEU  44   5.257   2.312   0.302
  524    QD   LEU  44           QQD      LEU  44   4.923   3.282   2.748
  525    H    LEU  45           H        LEU  45   4.755   2.722  -2.624
  526    HA   LEU  45           HA       LEU  45   7.116   1.437  -3.476
  527   1HB   LEU  45          2HB       LEU  45   4.689   2.220  -5.077
  528   2HB   LEU  45          1HB       LEU  45   6.003   1.269  -5.727
  529    HG   LEU  45           HG       LEU  45   4.130   0.457  -3.507
  530   1HD1  LEU  45          1HD1      LEU  45   4.459  -0.453  -6.359
  531   2HD1  LEU  45          3HD1      LEU  45   3.421  -1.228  -5.169
  532   3HD1  LEU  45          2HD1      LEU  45   3.085   0.425  -5.681
  533   1HD2  LEU  45          3HD2      LEU  45   6.414  -1.062  -4.785
  534   2HD2  LEU  45          2HD2      LEU  45   6.353  -0.479  -3.121
  535   3HD2  LEU  45          1HD2      LEU  45   5.241  -1.733  -3.654
  536    MD1  LEU  45           QD1      LEU  45   3.655  -0.418  -5.736
  537    MD2  LEU  45           QD2      LEU  45   6.003  -1.091  -3.853
  538    QB   LEU  45           QB       LEU  45   5.346   1.745  -5.402
  539    QD   LEU  45           QQD      LEU  45   4.829  -0.755  -4.795
  540    H    ILE  46           H        ILE  46   5.682   4.479  -4.406
  541    HA   ILE  46           HA       ILE  46   7.444   5.175  -6.467
  542    HB   ILE  46           HB       ILE  46   5.990   7.024  -4.546
  543   1HG1  ILE  46          2HG1      ILE  46   5.178   6.036  -7.293
  544   2HG1  ILE  46          1HG1      ILE  46   4.502   5.461  -5.778
  545   1HG2  ILE  46          3HG2      ILE  46   7.792   8.181  -5.717
  546   2HG2  ILE  46          2HG2      ILE  46   7.187   7.599  -7.267
  547   3HG2  ILE  46          1HG2      ILE  46   6.223   8.726  -6.309
  548   1HD1  ILE  46          3HD1      ILE  46   3.611   7.704  -5.342
  549   2HD1  ILE  46          2HD1      ILE  46   4.288   8.262  -6.867
  550   3HD1  ILE  46          1HD1      ILE  46   3.015   7.039  -6.862
  551    MG   ILE  46           QG2      ILE  46   7.067   8.169  -6.431
  552    MD   ILE  46           QD1      ILE  46   3.638   7.668  -6.357
  553    QG   ILE  46           QG1      ILE  46   4.840   5.748  -6.536
  554    H    GLU  47           H        GLU  47   7.519   5.998  -3.022
  555    HA   GLU  47           HA       GLU  47   9.938   7.416  -3.084
  556   1HB   GLU  47          2HB       GLU  47   8.505   6.026  -0.851
  557   2HB   GLU  47          1HB       GLU  47   9.993   6.919  -0.596
  558   1HG   GLU  47          2HG       GLU  47   8.870   8.933  -1.507
  559   2HG   GLU  47          1HG       GLU  47   7.375   8.001  -1.600
  560    QB   GLU  47           QB       GLU  47   9.249   6.473  -0.724
  561    QG   GLU  47           QG       GLU  47   8.123   8.467  -1.554
  562    H    LEU  48           H        LEU  48   9.342   4.031  -2.183
  563    HA   LEU  48           HA       LEU  48  12.025   3.487  -1.561
  564   1HB   LEU  48          2HB       LEU  48   9.649   1.770  -2.086
  565   2HB   LEU  48          1HB       LEU  48  11.225   1.017  -2.098
  566    HG   LEU  48           HG       LEU  48  10.107   0.739   0.053
  567   1HD1  LEU  48          2HD1      LEU  48  12.516   0.783   0.019
  568   2HD1  LEU  48          1HD1      LEU  48  12.514   2.531   0.236
  569   3HD1  LEU  48          3HD1      LEU  48  11.901   1.483   1.512
  570   1HD2  LEU  48          2HD2      LEU  48  10.234   3.751   0.286
  571   2HD2  LEU  48          1HD2      LEU  48   8.769   2.784   0.123
  572   3HD2  LEU  48          3HD2      LEU  48   9.764   2.643   1.574
  573    MD1  LEU  48           QD1      LEU  48  12.310   1.599   0.589
  574    MD2  LEU  48           QD2      LEU  48   9.589   3.059   0.661
  575    QB   LEU  48           QB       LEU  48  10.437   1.394  -2.092
  576    QD   LEU  48           QQD      LEU  48  10.950   2.329   0.625
  577    H    LYS  49           H        LYS  49  10.282   3.131  -4.614
  578    HA   LYS  49           HA       LYS  49  12.388   1.746  -5.911
  579   1HB   LYS  49          2HB       LYS  49  10.013   1.777  -6.705
  580   2HB   LYS  49          1HB       LYS  49  10.238   3.450  -7.186
  581   1HG   LYS  49          2HG       LYS  49  12.013   2.749  -8.738
  582   2HG   LYS  49          1HG       LYS  49  11.725   1.075  -8.270
  583   1HD   LYS  49          2HD       LYS  49   9.417   1.256  -9.087
  584   2HD   LYS  49          1HD       LYS  49   9.737   2.920  -9.591
  585   1HE   LYS  49          2HE       LYS  49   9.942   1.449 -11.502
  586   2HE   LYS  49          1HE       LYS  49  11.528   2.087 -11.080
  587   1HZ   LYS  49          1HZ       LYS  49  11.994  -0.015  -9.934
  588   2HZ   LYS  49          3HZ       LYS  49  10.476  -0.596 -10.394
  589   3HZ   LYS  49          2HZ       LYS  49  11.633  -0.248 -11.564
  590    QB   LYS  49           QB       LYS  49  10.126   2.613  -6.945
  591    QD   LYS  49           QD       LYS  49   9.577   2.088  -9.339
  592    QG   LYS  49           QG       LYS  49  11.869   1.912  -8.504
  593    QE   LYS  49           QE       LYS  49  10.735   1.768 -11.291
  594    QZ   LYS  49           QZ       LYS  49  11.368  -0.286 -10.630
  595    H    THR  50           H        THR  50  11.776   5.103  -5.279
  596    HA   THR  50           HA       THR  50  13.503   6.210  -7.206
  597    HB   THR  50           HB       THR  50  12.523   7.338  -4.563
  598    HG1  THR  50          1HG       THR  50  10.748   7.187  -5.746
  599   1HG2  THR  50          3HG2      THR  50  14.511   8.574  -5.419
  600   2HG2  THR  50          2HG2      THR  50  13.691   8.787  -6.962
  601   3HG2  THR  50          1HG2      THR  50  13.047   9.554  -5.511
  602    MG   THR  50           QG2      THR  50  13.750   8.972  -5.964
  603    H    LYS  51           H        LYS  51  14.170   4.642  -4.179
  604    HA   LYS  51           HA       LYS  51  16.704   5.792  -3.711
  605   1HB   LYS  51          2HB       LYS  51  15.700   3.037  -2.952
  606   2HB   LYS  51          1HB       LYS  51  17.179   3.769  -2.352
  607   1HG   LYS  51          2HG       LYS  51  15.832   5.579  -1.355
  608   2HG   LYS  51          1HG       LYS  51  14.372   4.723  -1.861
  609   1HD   LYS  51          2HD       LYS  51  15.057   2.787  -0.520
  610   2HD   LYS  51          1HD       LYS  51  16.507   3.649  -0.019
  611   1HE   LYS  51          2HE       LYS  51  13.650   4.405   0.576
  612   2HE   LYS  51          1HE       LYS  51  14.834   3.782   1.718
  613   1HZ   LYS  51          1HZ       LYS  51  16.161   5.837   1.284
  614   2HZ   LYS  51          3HZ       LYS  51  14.861   6.450   0.383
  615   3HZ   LYS  51          2HZ       LYS  51  14.666   6.125   2.000
  616    QB   LYS  51           QB       LYS  51  16.439   3.403  -2.652
  617    QD   LYS  51           QD       LYS  51  15.782   3.218  -0.270
  618    QG   LYS  51           QG       LYS  51  15.102   5.151  -1.608
  619    QE   LYS  51           QE       LYS  51  14.242   4.094   1.147
  620    QZ   LYS  51           QZ       LYS  51  15.229   6.137   1.222
  621    H    LYS  52           H        LYS  52  15.552   3.188  -5.717
  622    HA   LYS  52           HA       LYS  52  16.539   1.673  -7.087
  623   1HB   LYS  52          2HB       LYS  52  17.599   2.732  -9.048
  624   2HB   LYS  52          1HB       LYS  52  16.116   3.530  -8.560
  625   1HG   LYS  52          2HG       LYS  52  17.335   5.338  -7.597
  626   2HG   LYS  52          1HG       LYS  52  18.856   4.459  -7.838
  627   1HD   LYS  52          2HD       LYS  52  18.559   4.577 -10.238
  628   2HD   LYS  52          1HD       LYS  52  16.987   5.346 -10.048
  629   1HE   LYS  52          2HE       LYS  52  18.656   7.026 -10.626
  630   2HE   LYS  52          1HE       LYS  52  18.075   7.297  -8.989
  631   1HZ   LYS  52          1HZ       LYS  52  20.125   6.214  -8.163
  632   2HZ   LYS  52          3HZ       LYS  52  20.639   6.001  -9.748
  633   3HZ   LYS  52          2HZ       LYS  52  20.476   7.537  -9.128
  634    QB   LYS  52           QB       LYS  52  16.858   3.131  -8.804
  635    QD   LYS  52           QD       LYS  52  17.773   4.962 -10.143
  636    QG   LYS  52           QG       LYS  52  18.095   4.899  -7.718
  637    QE   LYS  52           QE       LYS  52  18.365   7.162  -9.808
  638    QZ   LYS  52           QZ       LYS  52  20.414   6.584  -9.013
  639    H    LYS  53           H        LYS  53  17.908   1.564  -4.855
  640    HA   LYS  53           HA       LYS  53  20.521   0.922  -5.904
  641   1HB   LYS  53          2HB       LYS  53  21.470   1.370  -3.566
  642   2HB   LYS  53          1HB       LYS  53  20.987   2.749  -4.555
  643   1HG   LYS  53          2HG       LYS  53  18.902   2.934  -3.274
  644   2HG   LYS  53          1HG       LYS  53  19.414   1.574  -2.280
  645   1HD   LYS  53          2HD       LYS  53  20.933   4.164  -2.512
  646   2HD   LYS  53          1HD       LYS  53  19.795   3.783  -1.223
  647   1HE   LYS  53          2HE       LYS  53  21.185   1.834  -0.615
  648   2HE   LYS  53          1HE       LYS  53  22.337   2.294  -1.866
  649   1HZ   LYS  53          2HZ       LYS  53  21.602   4.028   0.435
  650   2HZ   LYS  53          1HZ       LYS  53  22.980   3.053   0.348
  651   3HZ   LYS  53          3HZ       LYS  53  22.781   4.319  -0.732
  652    QB   LYS  53           QB       LYS  53  21.229   2.059  -4.060
  653    QD   LYS  53           QD       LYS  53  20.364   3.974  -1.868
  654    QG   LYS  53           QG       LYS  53  19.158   2.254  -2.777
  655    QE   LYS  53           QE       LYS  53  21.761   2.064  -1.240
  656    QZ   LYS  53           QZ       LYS  53  22.454   3.800   0.017
  657    H    ARG  54           H        ARG  54  18.965   0.064  -2.771
  658    HA   ARG  54           HA       ARG  54  18.843  -1.928  -1.720
  659   1HB   ARG  54          2HB       ARG  54  17.995  -2.568  -4.519
  660   2HB   ARG  54          1HB       ARG  54  17.686  -3.654  -3.155
  661   1HG   ARG  54          2HG       ARG  54  16.298  -1.888  -2.138
  662   2HG   ARG  54          1HG       ARG  54  16.603  -0.855  -3.538
  663   1HD   ARG  54          2HD       ARG  54  14.432  -1.980  -3.720
  664   2HD   ARG  54          1HD       ARG  54  15.537  -2.513  -4.988
  665    HE   ARG  54           HE       ARG  54  15.445  -4.083  -2.573
  666   1HH1  ARG  54          1HH1      ARG  54  14.224  -3.766  -5.910
  667   2HH1  ARG  54          2HH1      ARG  54  13.929  -5.423  -6.090
  668   1HH2  ARG  54          1HH2      ARG  54  14.984  -6.335  -2.850
  669   2HH2  ARG  54          2HH2      ARG  54  14.326  -6.919  -4.308
  670    QB   ARG  54           QB       ARG  54  17.841  -3.111  -3.837
  671    QG   ARG  54           QG       ARG  54  16.450  -1.371  -2.838
  672    QD   ARG  54           QD       ARG  54  14.984  -2.246  -4.354
  673    QH1  ARG  54           QH1      ARG  54  14.076  -4.594  -6.000
  674    QH2  ARG  54           QH2      ARG  54  14.655  -6.627  -3.579
  675    H    TYR  55           H        TYR  55  19.274  -4.592  -3.101
  676    HA   TYR  55           HA       TYR  55  22.135  -4.283  -3.606
  677   1HB   TYR  55          2HB       TYR  55  20.604  -6.718  -2.700
  678   2HB   TYR  55          1HB       TYR  55  22.336  -6.673  -3.035
  679    HD1  TYR  55          1HD       TYR  55  19.821  -6.236  -0.593
  680    HD2  TYR  55          2HD       TYR  55  23.741  -5.026  -1.644
  681    HE1  TYR  55          1HE       TYR  55  20.201  -5.513   1.718
  682    HE2  TYR  55          2HE       TYR  55  24.146  -4.298   0.669
  683    HH   TYR  55           HH       TYR  55  22.071  -5.123   3.229
  684    QB   TYR  55           QB       TYR  55  21.470  -6.695  -2.868
  685    QD   TYR  55           QD       TYR  55  21.781  -5.631  -1.118
  686    QE   TYR  55           QE       TYR  55  22.173  -4.906   1.194
  687    QR   TYR  55           QR       TYR  55  21.977  -5.268   0.038
  688    H    SER  56           H        SER  56  19.246  -4.588  -5.083
  689    HA   SER  56           HA       SER  56  19.808  -6.551  -7.036
  690   1HB   SER  56          2HB       SER  56  17.700  -5.425  -8.007
  691   2HB   SER  56          1HB       SER  56  17.573  -6.280  -6.464
  692    HG   SER  56           HG       SER  56  16.837  -3.888  -6.848
  693    QB   SER  56           QB       SER  56  17.637  -5.853  -7.235
  694    H    LEU  57           H        LEU  57  20.182  -3.056  -6.806
  695    HA   LEU  57           HA       LEU  57  20.887  -2.862  -9.601
  696   1HB   LEU  57          2HB       LEU  57  20.848  -0.853  -7.360
  697   2HB   LEU  57          1HB       LEU  57  21.630  -0.480  -8.874
  698    HG   LEU  57           HG       LEU  57  19.424   0.522  -8.741
  699   1HD1  LEU  57          1HD1      LEU  57  20.240  -0.048 -10.913
  700   2HD1  LEU  57          3HD1      LEU  57  19.490  -1.648 -10.817
  701   3HD1  LEU  57          2HD1      LEU  57  18.494  -0.186 -10.831
  702   1HD2  LEU  57          3HD2      LEU  57  18.294  -1.061  -7.281
  703   2HD2  LEU  57          2HD2      LEU  57  17.373  -0.820  -8.767
  704   3HD2  LEU  57          1HD2      LEU  57  18.330  -2.287  -8.550
  705    MD1  LEU  57           QD1      LEU  57  19.408  -0.627 -10.854
  706    MD2  LEU  57           QD2      LEU  57  17.999  -1.390  -8.199
  707    QB   LEU  57           QB       LEU  57  21.239  -0.666  -8.117
  708    QD   LEU  57           QQD      LEU  57  18.703  -1.008  -9.527
  709    H    LEU  58           H        LEU  58  22.442  -3.426  -6.627
  710    HA   LEU  58           HA       LEU  58  25.093  -2.741  -7.555
  711   1HB   LEU  58          2HB       LEU  58  24.236  -4.335  -5.129
  712   2HB   LEU  58          1HB       LEU  58  25.849  -3.730  -5.434
  713    HG   LEU  58           HG       LEU  58  23.404  -2.043  -4.893
  714   1HD1  LEU  58          2HD1      LEU  58  25.830  -2.621  -3.204
  715   2HD1  LEU  58          1HD1      LEU  58  24.546  -1.480  -2.807
  716   3HD1  LEU  58          3HD1      LEU  58  24.189  -3.201  -2.917
  717   1HD2  LEU  58          1HD2      LEU  58  26.281  -1.225  -5.308
  718   2HD2  LEU  58          3HD2      LEU  58  24.943  -0.903  -6.412
  719   3HD2  LEU  58          2HD2      LEU  58  24.972  -0.153  -4.816
  720    MD1  LEU  58           QD1      LEU  58  24.855  -2.434  -2.976
  721    MD2  LEU  58           QD2      LEU  58  25.399  -0.760  -5.512
  722    QB   LEU  58           QB       LEU  58  25.042  -4.032  -5.281
  723    QD   LEU  58           QQD      LEU  58  25.127  -1.597  -4.244
  724    H    GLU  59           H        GLU  59  23.372  -5.740  -6.719
  725    HA   GLU  59           HA       GLU  59  25.320  -7.250  -8.254
  726   1HB   GLU  59          2HB       GLU  59  23.021  -8.241  -6.560
  727   2HB   GLU  59          1HB       GLU  59  24.342  -9.203  -7.214
  728   1HG   GLU  59          2HG       GLU  59  25.911  -7.992  -5.772
  729   2HG   GLU  59          1HG       GLU  59  24.564  -7.070  -5.104
  730    QB   GLU  59           QB       GLU  59  23.682  -8.722  -6.887
  731    QG   GLU  59           QG       GLU  59  25.237  -7.531  -5.438
  732    H    HIS  60           H        HIS  60  24.687  -6.702 -10.275
  733    HA   HIS  60           HA       HIS  60  21.954  -6.788 -11.017
  734   1HB   HIS  60          2HB       HIS  60  22.827  -6.477 -13.399
  735   2HB   HIS  60          1HB       HIS  60  23.153  -5.183 -12.259
  736    HD1  HIS  60          1HD       HIS  60  24.772  -7.388 -14.690
  737    HD2  HIS  60          2HD       HIS  60  25.920  -5.161 -11.380
  738    HE1  HIS  60          1HE       HIS  60  27.278  -7.075 -14.881
  739    QB   HIS  60           QB       HIS  60  22.990  -5.830 -12.829
  740    H    HIS  61           H        HIS  61  20.799  -8.210 -11.958
  741    HA   HIS  61           HA       HIS  61  21.368 -10.918 -11.494
  742   1HB   HIS  61          2HB       HIS  61  19.219  -9.674 -13.215
  743   2HB   HIS  61          1HB       HIS  61  19.246 -11.362 -12.720
  744    HD1  HIS  61          1HD       HIS  61  18.221 -11.877 -10.444
  745    HD2  HIS  61          2HD       HIS  61  18.768  -7.813 -11.079
  746    HE1  HIS  61          1HE       HIS  61  17.029 -10.705  -8.561
  747    QB   HIS  61           QB       HIS  61  19.233 -10.518 -12.968
  748    H    HIS  62           H        HIS  62  20.924  -9.219 -14.577
  749    HA   HIS  62           HA       HIS  62  22.348 -11.374 -15.832
  750   1HB   HIS  62          2HB       HIS  62  21.860 -10.223 -18.009
  751   2HB   HIS  62          1HB       HIS  62  20.421 -10.639 -17.106
  752    HD1  HIS  62          1HD       HIS  62  18.885  -8.655 -16.388
  753    HD2  HIS  62          2HD       HIS  62  22.368  -7.506 -18.352
  754    HE1  HIS  62          1HE       HIS  62  18.584  -6.231 -16.998
  755    QB   HIS  62           QB       HIS  62  21.140 -10.431 -17.558
  756    H    HIS  63           H        HIS  63  24.385 -11.426 -15.830
  757    HA   HIS  63           HA       HIS  63  25.851  -8.944 -16.140
  758   1HB   HIS  63          2HB       HIS  63  27.559  -9.802 -14.489
  759   2HB   HIS  63          1HB       HIS  63  26.020  -9.338 -13.800
  760    HD1  HIS  63          1HD       HIS  63  24.541 -11.297 -12.792
  761    HD2  HIS  63          2HD       HIS  63  28.274 -12.447 -14.215
  762    HE1  HIS  63          1HE       HIS  63  24.952 -13.597 -11.885
  763    QB   HIS  63           QB       HIS  63  26.790  -9.570 -14.144
  764    H    HIS  64           H        HIS  64  26.987  -9.017 -17.874
  765    HA   HIS  64           HA       HIS  64  28.669 -11.267 -18.413
  766   1HB   HIS  64          2HB       HIS  64  26.608 -11.884 -19.642
  767   2HB   HIS  64          1HB       HIS  64  26.614 -10.326 -20.456
  768    HD1  HIS  64          1HD       HIS  64  27.651 -10.386 -22.741
  769    HD2  HIS  64          2HD       HIS  64  29.096 -13.391 -20.260
  770    HE1  HIS  64          1HE       HIS  64  29.222 -11.740 -24.140
  771    QB   HIS  64           QB       HIS  64  26.611 -11.105 -20.049

  No H/Q in entry =         771
  Start of MODEL   19
    1    H1   MET   1          3HT       MET   1  15.225  -6.109  -2.815
    2    H2   MET   1          2HT       MET   1  15.668  -4.667  -2.037
    3    H3   MET   1          1HT       MET   1  14.401  -5.637  -1.437
    4    HA   MET   1           HA       MET   1  13.402  -3.851  -2.546
    5   1HB   MET   1          2HB       MET   1  15.397  -3.327  -3.972
    6   2HB   MET   1          1HB       MET   1  15.033  -4.735  -4.948
    7   1HG   MET   1          2HG       MET   1  13.215  -2.346  -4.640
    8   2HG   MET   1          1HG       MET   1  14.366  -2.552  -5.946
    9   1HE   MET   1          3HE       MET   1  14.197  -4.559  -7.719
   10   2HE   MET   1          2HE       MET   1  13.957  -5.787  -6.478
   11   3HE   MET   1          1HE       MET   1  12.836  -5.677  -7.825
   12    QB   MET   1           QB       MET   1  15.215  -4.031  -4.460
   13    QG   MET   1           QG       MET   1  13.791  -2.449  -5.293
   14    ME   MET   1           QE       MET   1  13.664  -5.341  -7.341
   15    H    ASN   2           H        ASN   2  11.387  -4.590  -2.759
   16    HA   ASN   2           HA       ASN   2  10.842  -6.568  -4.732
   17   1HB   ASN   2          2HB       ASN   2   9.363  -7.927  -3.235
   18   2HB   ASN   2          1HB       ASN   2  11.077  -8.091  -2.910
   19   1HD2  ASN   2          1HD2      ASN   2   8.872  -8.724  -1.138
   20   2HD2  ASN   2          2HD2      ASN   2   9.048  -7.716   0.244
   21    QB   ASN   2           QB       ASN   2  10.220  -8.009  -3.072
   22    QD   ASN   2           QD2      ASN   2   8.960  -8.220  -0.447
   23    H    VAL   3           H        VAL   3  10.187  -4.523  -5.572
   24    HA   VAL   3           HA       VAL   3   7.926  -3.186  -4.498
   25    HB   VAL   3           HB       VAL   3   7.722  -2.046  -6.697
   26   1HG1  VAL   3          3HG1      VAL   3  10.505  -2.143  -5.553
   27   2HG1  VAL   3          2HG1      VAL   3   9.892  -0.877  -6.621
   28   3HG1  VAL   3          1HG1      VAL   3   9.178  -1.114  -5.024
   29   1HG2  VAL   3          1HG2      VAL   3   8.442  -3.874  -8.165
   30   2HG2  VAL   3          3HG2      VAL   3   9.403  -2.422  -8.447
   31   3HG2  VAL   3          2HG2      VAL   3  10.076  -3.754  -7.515
   32    MG1  VAL   3           QG1      VAL   3   9.858  -1.378  -5.733
   33    MG2  VAL   3           QG2      VAL   3   9.307  -3.350  -8.042
   34    QG   VAL   3           QQG      VAL   3   9.583  -2.364  -6.888
   35    H    THR   4           H        THR   4   8.320  -5.988  -6.353
   36    HA   THR   4           HA       THR   4   5.747  -6.038  -7.524
   37    HB   THR   4           HB       THR   4   7.622  -7.417  -8.399
   38    HG1  THR   4          1HG       THR   4   5.301  -8.865  -7.577
   39   1HG2  THR   4          2HG2      THR   4   8.560  -8.077  -6.190
   40   2HG2  THR   4          1HG2      THR   4   7.203  -9.165  -5.973
   41   3HG2  THR   4          3HG2      THR   4   8.357  -9.450  -7.284
   42    MG   THR   4           QG2      THR   4   8.040  -8.898  -6.482
   43    H    LYS   5           H        LYS   5   7.068  -7.163  -4.465
   44    HA   LYS   5           HA       LYS   5   4.607  -8.430  -3.720
   45   1HB   LYS   5          2HB       LYS   5   7.060  -7.878  -2.053
   46   2HB   LYS   5          1HB       LYS   5   5.697  -8.879  -1.571
   47   1HG   LYS   5          2HG       LYS   5   7.631  -9.423  -3.817
   48   2HG   LYS   5          1HG       LYS   5   7.502 -10.280  -2.282
   49   1HD   LYS   5          2HD       LYS   5   5.243 -11.024  -2.893
   50   2HD   LYS   5          1HD       LYS   5   5.386 -10.179  -4.432
   51   1HE   LYS   5          2HE       LYS   5   5.855 -12.514  -4.776
   52   2HE   LYS   5          1HE       LYS   5   7.333 -11.589  -4.988
   53   1HZ   LYS   5          3HZ       LYS   5   6.585 -13.054  -2.524
   54   2HZ   LYS   5          2HZ       LYS   5   7.708 -13.586  -3.681
   55   3HZ   LYS   5          1HZ       LYS   5   8.024 -12.209  -2.774
   56    QB   LYS   5           QB       LYS   5   6.379  -8.379  -1.812
   57    QD   LYS   5           QD       LYS   5   5.314 -10.601  -3.663
   58    QG   LYS   5           QG       LYS   5   7.566  -9.852  -3.049
   59    QE   LYS   5           QE       LYS   5   6.594 -12.051  -4.882
   60    QZ   LYS   5           QZ       LYS   5   7.439 -12.950  -2.993
   61    H    LEU   6           H        LEU   6   6.167  -5.389  -3.240
   62    HA   LEU   6           HA       LEU   6   4.414  -4.478  -1.222
   63   1HB   LEU   6          2HB       LEU   6   6.651  -3.466  -1.844
   64   2HB   LEU   6          1HB       LEU   6   5.858  -2.863  -3.291
   65    HG   LEU   6           HG       LEU   6   4.488  -1.355  -2.024
   66   1HD1  LEU   6          3HD1      LEU   6   5.714  -2.624   0.432
   67   2HD1  LEU   6          2HD1      LEU   6   4.678  -1.197   0.434
   68   3HD1  LEU   6          1HD1      LEU   6   4.032  -2.758  -0.076
   69   1HD2  LEU   6          2HD2      LEU   6   6.812  -0.673  -2.527
   70   2HD2  LEU   6          1HD2      LEU   6   6.179   0.076  -1.059
   71   3HD2  LEU   6          3HD2      LEU   6   7.297  -1.279  -0.945
   72    MD1  LEU   6           QD1      LEU   6   4.808  -2.193   0.263
   73    MD2  LEU   6           QD2      LEU   6   6.763  -0.625  -1.511
   74    QB   LEU   6           QB       LEU   6   6.254  -3.165  -2.567
   75    QD   LEU   6           QQD      LEU   6   5.785  -1.409  -0.624
   76    H    ASN   7           H        ASN   7   4.433  -4.289  -4.753
   77    HA   ASN   7           HA       ASN   7   2.061  -2.863  -5.094
   78   1HB   ASN   7          2HB       ASN   7   3.663  -3.238  -6.923
   79   2HB   ASN   7          1HB       ASN   7   3.334  -4.959  -6.881
   80   1HD2  ASN   7          1HD2      ASN   7   0.786  -2.490  -6.668
   81   2HD2  ASN   7          2HD2      ASN   7   0.111  -2.828  -8.203
   82    QB   ASN   7           QB       ASN   7   3.499  -4.099  -6.902
   83    QD   ASN   7           QD2      ASN   7   0.449  -2.659  -7.436
   84    H    ASP   8           H        ASP   8   2.733  -6.288  -4.775
   85    HA   ASP   8           HA       ASP   8   0.176  -7.357  -5.061
   86   1HB   ASP   8          2HB       ASP   8   2.115  -8.785  -5.031
   87   2HB   ASP   8          1HB       ASP   8   2.520  -8.273  -3.396
   88    QB   ASP   8           QB       ASP   8   2.318  -8.529  -4.214
   89    H    ARG   9           H        ARG   9   1.715  -5.954  -2.236
   90    HA   ARG   9           HA       ARG   9  -0.364  -6.549  -0.382
   91   1HB   ARG   9          2HB       ARG   9   1.707  -4.351  -0.359
   92   2HB   ARG   9          1HB       ARG   9   0.585  -4.651   0.958
   93   1HG   ARG   9          2HG       ARG   9   1.537  -6.857   1.285
   94   2HG   ARG   9          1HG       ARG   9   2.644  -6.582  -0.067
   95   1HD   ARG   9          2HD       ARG   9   3.693  -6.204   2.128
   96   2HD   ARG   9          1HD       ARG   9   3.689  -4.758   1.114
   97    HE   ARG   9           HE       ARG   9   1.427  -4.860   2.798
   98   1HH1  ARG   9          1HH1      ARG   9   4.917  -4.233   2.958
   99   2HH1  ARG   9          2HH1      ARG   9   4.804  -3.086   4.216
  100   1HH2  ARG   9          1HH2      ARG   9   1.267  -3.259   4.531
  101   2HH2  ARG   9          2HH2      ARG   9   2.666  -2.546   5.149
  102    QB   ARG   9           QB       ARG   9   1.146  -4.501   0.299
  103    QG   ARG   9           QG       ARG   9   2.091  -6.720   0.609
  104    QD   ARG   9           QD       ARG   9   3.691  -5.481   1.621
  105    QH1  ARG   9           QH1      ARG   9   4.861  -3.660   3.587
  106    QH2  ARG   9           QH2      ARG   9   1.967  -2.902   4.840
  107    H    ILE  10           H        ILE  10   0.337  -3.762  -2.398
  108    HA   ILE  10           HA       ILE  10  -1.807  -2.107  -1.659
  109    HB   ILE  10           HB       ILE  10  -0.481  -2.371  -4.375
  110   1HG1  ILE  10          2HG1      ILE  10   0.074  -0.424  -2.134
  111   2HG1  ILE  10          1HG1      ILE  10   1.067  -1.832  -2.511
  112   1HG2  ILE  10          3HG2      ILE  10  -2.635  -1.217  -4.546
  113   2HG2  ILE  10          2HG2      ILE  10  -2.150  -0.110  -3.270
  114   3HG2  ILE  10          1HG2      ILE  10  -1.300  -0.094  -4.814
  115   1HD1  ILE  10          3HD1      ILE  10   0.575   0.532  -4.304
  116   2HD1  ILE  10          2HD1      ILE  10   2.044   0.200  -3.382
  117   3HD1  ILE  10          1HD1      ILE  10   1.566  -0.869  -4.700
  118    MG   ILE  10           QG2      ILE  10  -2.028  -0.474  -4.210
  119    MD   ILE  10           QD1      ILE  10   1.395  -0.046  -4.129
  120    QG   ILE  10           QG1      ILE  10   0.570  -1.128  -2.323
  121    H    GLU  11           H        GLU  11  -1.494  -4.583  -4.131
  122    HA   GLU  11           HA       GLU  11  -3.983  -4.341  -5.286
  123   1HB   GLU  11          2HB       GLU  11  -2.108  -5.682  -6.195
  124   2HB   GLU  11          1HB       GLU  11  -2.422  -6.888  -4.966
  125   1HG   GLU  11          2HG       GLU  11  -4.645  -7.270  -5.822
  126   2HG   GLU  11          1HG       GLU  11  -4.415  -6.016  -7.030
  127    QB   GLU  11           QB       GLU  11  -2.265  -6.285  -5.580
  128    QG   GLU  11           QG       GLU  11  -4.530  -6.643  -6.426
  129    H    ALA  12           H        ALA  12  -2.908  -6.352  -2.603
  130    HA   ALA  12           HA       ALA  12  -5.237  -7.774  -2.116
  131   1HB   ALA  12          2HB       ALA  12  -3.044  -8.232  -1.120
  132   2HB   ALA  12          3HB       ALA  12  -4.339  -8.192   0.090
  133   3HB   ALA  12          1HB       ALA  12  -3.234  -6.822  -0.086
  134    MB   ALA  12           QB       ALA  12  -3.539  -7.749  -0.372
  135    H    LYS  13           H        LYS  13  -4.341  -4.529  -1.096
  136    HA   LYS  13           HA       LYS  13  -6.611  -4.199   0.624
  137   1HB   LYS  13          2HB       LYS  13  -4.471  -2.364  -0.388
  138   2HB   LYS  13          1HB       LYS  13  -5.945  -1.661   0.248
  139   1HG   LYS  13          2HG       LYS  13  -4.171  -1.743   1.930
  140   2HG   LYS  13          1HG       LYS  13  -5.556  -2.717   2.401
  141   1HD   LYS  13          2HD       LYS  13  -4.362  -4.737   1.672
  142   2HD   LYS  13          1HD       LYS  13  -2.977  -3.746   1.215
  143   1HE   LYS  13          2HE       LYS  13  -2.674  -4.802   3.418
  144   2HE   LYS  13          1HE       LYS  13  -2.677  -3.044   3.508
  145   1HZ   LYS  13          3HZ       LYS  13  -5.099  -4.665   4.058
  146   2HZ   LYS  13          2HZ       LYS  13  -4.030  -4.193   5.273
  147   3HZ   LYS  13          1HZ       LYS  13  -4.844  -3.034   4.383
  148    QB   LYS  13           QB       LYS  13  -5.208  -2.013  -0.070
  149    QD   LYS  13           QD       LYS  13  -3.669  -4.242   1.444
  150    QG   LYS  13           QG       LYS  13  -4.864  -2.230   2.165
  151    QE   LYS  13           QE       LYS  13  -2.675  -3.923   3.463
  152    QZ   LYS  13           QZ       LYS  13  -4.658  -3.964   4.571
  153    H    LYS  14           H        LYS  14  -5.816  -3.290  -2.671
  154    HA   LYS  14           HA       LYS  14  -8.199  -1.810  -2.943
  155   1HB   LYS  14          2HB       LYS  14  -7.571  -1.385  -5.210
  156   2HB   LYS  14          1HB       LYS  14  -6.155  -1.295  -4.188
  157   1HG   LYS  14          2HG       LYS  14  -5.707  -3.681  -4.906
  158   2HG   LYS  14          1HG       LYS  14  -6.878  -3.384  -6.189
  159   1HD   LYS  14          2HD       LYS  14  -4.350  -1.825  -5.665
  160   2HD   LYS  14          1HD       LYS  14  -4.654  -2.892  -7.033
  161   1HE   LYS  14          2HE       LYS  14  -6.452  -1.390  -7.797
  162   2HE   LYS  14          1HE       LYS  14  -6.142  -0.350  -6.404
  163   1HZ   LYS  14          1HZ       LYS  14  -4.173  -0.922  -8.544
  164   2HZ   LYS  14          3HZ       LYS  14  -5.123   0.471  -8.436
  165   3HZ   LYS  14          2HZ       LYS  14  -3.982   0.161  -7.256
  166    QB   LYS  14           QB       LYS  14  -6.863  -1.340  -4.699
  167    QD   LYS  14           QD       LYS  14  -4.502  -2.359  -6.349
  168    QG   LYS  14           QG       LYS  14  -6.293  -3.532  -5.548
  169    QE   LYS  14           QE       LYS  14  -6.297  -0.870  -7.100
  170    QZ   LYS  14           QZ       LYS  14  -4.426  -0.097  -8.079
  171    H    LYS  15           H        LYS  15  -7.361  -5.123  -3.586
  172    HA   LYS  15           HA       LYS  15  -9.693  -5.826  -5.074
  173   1HB   LYS  15          2HB       LYS  15  -7.941  -7.529  -3.279
  174   2HB   LYS  15          1HB       LYS  15  -9.190  -8.169  -4.322
  175   1HG   LYS  15          2HG       LYS  15  -6.747  -6.675  -5.265
  176   2HG   LYS  15          1HG       LYS  15  -6.901  -8.428  -5.213
  177   1HD   LYS  15          2HD       LYS  15  -8.641  -6.569  -6.850
  178   2HD   LYS  15          1HD       LYS  15  -7.274  -7.488  -7.470
  179   1HE   LYS  15          2HE       LYS  15  -9.802  -8.636  -6.275
  180   2HE   LYS  15          1HE       LYS  15  -9.378  -8.600  -7.979
  181   1HZ   LYS  15          1HZ       LYS  15  -7.882 -10.127  -5.883
  182   2HZ   LYS  15          3HZ       LYS  15  -8.945 -10.751  -7.026
  183   3HZ   LYS  15          2HZ       LYS  15  -7.506 -10.076  -7.523
  184    QB   LYS  15           QB       LYS  15  -8.566  -7.849  -3.800
  185    QD   LYS  15           QD       LYS  15  -7.957  -7.029  -7.160
  186    QG   LYS  15           QG       LYS  15  -6.824  -7.551  -5.239
  187    QE   LYS  15           QE       LYS  15  -9.590  -8.618  -7.127
  188    QZ   LYS  15           QZ       LYS  15  -8.111 -10.318  -6.811
  189    H    GLU  16           H        GLU  16  -8.944  -5.490  -1.700
  190    HA   GLU  16           HA       GLU  16 -11.277  -6.797  -0.672
  191   1HB   GLU  16          2HB       GLU  16  -9.088  -6.427   0.574
  192   2HB   GLU  16          1HB       GLU  16  -9.524  -4.729   0.675
  193   1HG   GLU  16          2HG       GLU  16 -10.086  -5.732   2.745
  194   2HG   GLU  16          1HG       GLU  16 -11.593  -5.421   1.886
  195    QB   GLU  16           QB       GLU  16  -9.306  -5.578   0.625
  196    QG   GLU  16           QG       GLU  16 -10.840  -5.576   2.315
  197    H    LEU  17           H        LEU  17 -10.162  -3.559  -1.355
  198    HA   LEU  17           HA       LEU  17 -12.341  -2.064  -0.630
  199   1HB   LEU  17          2HB       LEU  17 -10.276  -1.793  -2.704
  200   2HB   LEU  17          1HB       LEU  17 -11.602  -0.674  -2.736
  201    HG   LEU  17           HG       LEU  17  -9.608  -1.078  -0.485
  202   1HD1  LEU  17          2HD1      LEU  17  -8.786   0.157  -2.450
  203   2HD1  LEU  17          1HD1      LEU  17 -10.134   1.277  -2.288
  204   3HD1  LEU  17          3HD1      LEU  17  -8.911   1.183  -1.019
  205   1HD2  LEU  17          1HD2      LEU  17 -11.989   0.731  -0.697
  206   2HD2  LEU  17          3HD2      LEU  17 -11.765  -0.555   0.494
  207   3HD2  LEU  17          2HD2      LEU  17 -10.737   0.885   0.524
  208    MD1  LEU  17           QD1      LEU  17  -9.277   0.873  -1.919
  209    MD2  LEU  17           QD2      LEU  17 -11.497   0.354   0.107
  210    QB   LEU  17           QB       LEU  17 -10.939  -1.233  -2.720
  211    QD   LEU  17           QQD      LEU  17 -10.387   0.613  -0.906
  212    H    ILE  18           H        ILE  18 -11.835  -3.782  -3.665
  213    HA   ILE  18           HA       ILE  18 -14.135  -2.918  -4.983
  214    HB   ILE  18           HB       ILE  18 -12.825  -5.653  -5.145
  215   1HG1  ILE  18          2HG1      ILE  18 -12.442  -3.189  -6.852
  216   2HG1  ILE  18          1HG1      ILE  18 -11.328  -3.740  -5.613
  217   1HG2  ILE  18          1HG2      ILE  18 -15.103  -5.657  -6.092
  218   2HG2  ILE  18          3HG2      ILE  18 -14.672  -4.291  -7.123
  219   3HG2  ILE  18          2HG2      ILE  18 -13.880  -5.853  -7.343
  220   1HD1  ILE  18          1HD1      ILE  18 -10.951  -5.801  -6.897
  221   2HD1  ILE  18          3HD1      ILE  18 -12.056  -5.211  -8.137
  222   3HD1  ILE  18          2HD1      ILE  18 -10.546  -4.356  -7.823
  223    MG   ILE  18           QG2      ILE  18 -14.552  -5.267  -6.853
  224    MD   ILE  18           QD1      ILE  18 -11.184  -5.122  -7.619
  225    QG   ILE  18           QG1      ILE  18 -11.885  -3.465  -6.232
  226    H    TYR  19           H        TYR  19 -13.687  -5.507  -2.645
  227    HA   TYR  19           HA       TYR  19 -16.392  -6.424  -2.672
  228   1HB   TYR  19          2HB       TYR  19 -14.769  -7.967  -1.828
  229   2HB   TYR  19          1HB       TYR  19 -14.107  -6.774  -0.717
  230    HD1  TYR  19          1HD       TYR  19 -14.951  -6.560   1.470
  231    HD2  TYR  19          2HD       TYR  19 -17.082  -8.925  -1.353
  232    HE1  TYR  19          1HE       TYR  19 -16.396  -7.377   3.266
  233    HE2  TYR  19          2HE       TYR  19 -18.544  -9.756   0.453
  234    HH   TYR  19           HH       TYR  19 -18.348 -10.031   2.958
  235    QB   TYR  19           QB       TYR  19 -14.438  -7.371  -1.273
  236    QD   TYR  19           QD       TYR  19 -16.017  -7.742   0.058
  237    QE   TYR  19           QE       TYR  19 -17.470  -8.566   1.860
  238    QR   TYR  19           QR       TYR  19 -16.743  -8.154   0.959
  239    H    LEU  20           H        LEU  20 -14.580  -4.244  -0.600
  240    HA   LEU  20           HA       LEU  20 -16.617  -3.674   1.227
  241   1HB   LEU  20          2HB       LEU  20 -14.250  -2.002   0.422
  242   2HB   LEU  20          1HB       LEU  20 -15.246  -1.713   1.835
  243    HG   LEU  20           HG       LEU  20 -13.674  -4.250   1.395
  244   1HD1  LEU  20          2HD1      LEU  20 -12.972  -1.828   3.020
  245   2HD1  LEU  20          1HD1      LEU  20 -12.116  -3.373   3.044
  246   3HD1  LEU  20          3HD1      LEU  20 -12.148  -2.406   1.573
  247   1HD2  LEU  20          1HD2      LEU  20 -15.588  -4.506   2.897
  248   2HD2  LEU  20          3HD2      LEU  20 -14.067  -4.595   3.784
  249   3HD2  LEU  20          2HD2      LEU  20 -15.027  -3.122   3.842
  250    MD1  LEU  20           QD1      LEU  20 -12.412  -2.536   2.546
  251    MD2  LEU  20           QD2      LEU  20 -14.894  -4.074   3.508
  252    QB   LEU  20           QB       LEU  20 -14.748  -1.857   1.128
  253    QD   LEU  20           QQD      LEU  20 -13.653  -3.305   3.027
  254    H    VAL  21           H        VAL  21 -15.758  -2.054  -1.784
  255    HA   VAL  21           HA       VAL  21 -17.651   0.023  -1.599
  256    HB   VAL  21           HB       VAL  21 -16.473  -1.298  -4.077
  257   1HG1  VAL  21          1HG1      VAL  21 -17.956   1.323  -3.841
  258   2HG1  VAL  21          3HG1      VAL  21 -17.137   0.729  -5.284
  259   3HG1  VAL  21          2HG1      VAL  21 -18.540  -0.130  -4.651
  260   1HG2  VAL  21          1HG2      VAL  21 -14.811  -0.252  -2.640
  261   2HG2  VAL  21          3HG2      VAL  21 -14.998   0.650  -4.142
  262   3HG2  VAL  21          2HG2      VAL  21 -15.731   1.256  -2.656
  263    MG1  VAL  21           QG1      VAL  21 -17.878   0.641  -4.592
  264    MG2  VAL  21           QG2      VAL  21 -15.180   0.551  -3.146
  265    QG   VAL  21           QQG      VAL  21 -16.529   0.596  -3.869
  266    H    GLU  22           H        GLU  22 -17.935  -3.280  -2.782
  267    HA   GLU  22           HA       GLU  22 -20.598  -3.028  -3.739
  268   1HB   GLU  22          2HB       GLU  22 -19.113  -5.467  -2.751
  269   2HB   GLU  22          1HB       GLU  22 -20.677  -5.509  -3.543
  270   1HG   GLU  22          2HG       GLU  22 -18.098  -4.556  -4.762
  271   2HG   GLU  22          1HG       GLU  22 -18.888  -6.101  -5.067
  272    QB   GLU  22           QB       GLU  22 -19.895  -5.488  -3.147
  273    QG   GLU  22           QG       GLU  22 -18.493  -5.329  -4.914
  274    H    LYS  23           H        LYS  23 -19.191  -3.863  -0.634
  275    HA   LYS  23           HA       LYS  23 -21.577  -4.733   0.569
  276   1HB   LYS  23          2HB       LYS  23 -19.266  -5.488   1.041
  277   2HB   LYS  23          1HB       LYS  23 -18.958  -3.927   1.785
  278   1HG   LYS  23          2HG       LYS  23 -20.719  -4.329   3.341
  279   2HG   LYS  23          1HG       LYS  23 -21.000  -5.924   2.623
  280   1HD   LYS  23          2HD       LYS  23 -18.556  -6.415   3.120
  281   2HD   LYS  23          1HD       LYS  23 -18.555  -4.948   4.099
  282   1HE   LYS  23          2HE       LYS  23 -18.921  -6.827   5.540
  283   2HE   LYS  23          1HE       LYS  23 -20.424  -5.912   5.426
  284   1HZ   LYS  23          1HZ       LYS  23 -19.785  -8.351   3.871
  285   2HZ   LYS  23          3HZ       LYS  23 -20.775  -8.314   5.235
  286   3HZ   LYS  23          2HZ       LYS  23 -21.250  -7.528   3.821
  287    QB   LYS  23           QB       LYS  23 -19.112  -4.707   1.413
  288    QD   LYS  23           QD       LYS  23 -18.556  -5.682   3.610
  289    QG   LYS  23           QG       LYS  23 -20.859  -5.126   2.982
  290    QE   LYS  23           QE       LYS  23 -19.673  -6.370   5.483
  291    QZ   LYS  23           QZ       LYS  23 -20.603  -8.065   4.309
  292    H    TYR  24           H        TYR  24 -19.636  -1.733   0.789
  293    HA   TYR  24           HA       TYR  24 -21.692  -0.662   2.584
  294   1HB   TYR  24          2HB       TYR  24 -18.813   0.186   2.263
  295   2HB   TYR  24          1HB       TYR  24 -19.979   0.965   3.331
  296    HD1  TYR  24          1HD       TYR  24 -17.488  -1.534   3.107
  297    HD2  TYR  24          2HD       TYR  24 -21.169  -0.617   5.026
  298    HE1  TYR  24          1HE       TYR  24 -16.994  -3.201   4.850
  299    HE2  TYR  24          2HE       TYR  24 -20.682  -2.269   6.768
  300    HH   TYR  24           HH       TYR  24 -17.630  -3.723   7.160
  301    QB   TYR  24           QB       TYR  24 -19.396   0.576   2.797
  302    QD   TYR  24           QD       TYR  24 -19.328  -1.075   4.066
  303    QE   TYR  24           QE       TYR  24 -18.838  -2.735   5.809
  304    QR   TYR  24           QR       TYR  24 -19.083  -1.905   4.937
  305    H    GLY  25           H        GLY  25 -20.422  -0.255  -0.557
  306   1HA   GLY  25          1HA       GLY  25 -22.051   2.166  -0.782
  307   2HA   GLY  25          2HA       GLY  25 -21.733   1.022  -2.082
  308    QA   GLY  25           QA       GLY  25 -21.892   1.594  -1.432
  309    H    PHE  26           H        PHE  26 -21.328   3.334  -2.872
  310    HA   PHE  26           HA       PHE  26 -18.443   3.651  -3.072
  311   1HB   PHE  26          2HB       PHE  26 -20.728   4.974  -4.575
  312   2HB   PHE  26          1HB       PHE  26 -19.027   5.260  -4.884
  313    HD1  PHE  26          1HD       PHE  26 -17.838   3.874  -6.370
  314    HD2  PHE  26          2HD       PHE  26 -21.651   2.653  -4.973
  315    HE1  PHE  26          1HE       PHE  26 -17.849   2.064  -8.025
  316    HE2  PHE  26          2HE       PHE  26 -21.671   0.820  -6.624
  317    HZ   PHE  26           HZ       PHE  26 -19.760   0.536  -8.156
  318    QB   PHE  26           QB       PHE  26 -19.878   5.117  -4.730
  319    QD   PHE  26           QD       PHE  26 -19.744   3.263  -5.672
  320    QE   PHE  26           QE       PHE  26 -19.760   1.442  -7.324
  321    QR   PHE  26           QR       PHE  26 -19.754   1.989  -6.829
  322    H    THR  27           H        THR  27 -17.395   5.327  -2.157
  323    HA   THR  27           HA       THR  27 -16.929   7.078  -0.895
  324    HB   THR  27           HB       THR  27 -19.640   8.209  -1.681
  325    HG1  THR  27          1HG       THR  27 -18.822   8.430  -3.570
  326   1HG2  THR  27          1HG2      THR  27 -18.503   9.414   0.158
  327   2HG2  THR  27          3HG2      THR  27 -17.059   9.568  -0.842
  328   3HG2  THR  27          2HG2      THR  27 -18.547  10.389  -1.312
  329    MG   THR  27           QG2      THR  27 -18.036   9.790  -0.665
  330    H    HIS  28           H        HIS  28 -16.950   5.657   0.791
  331    HA   HIS  28           HA       HIS  28 -18.940   6.280   2.840
  332   1HB   HIS  28          2HB       HIS  28 -19.332   4.013   1.584
  333   2HB   HIS  28          1HB       HIS  28 -17.867   3.476   2.391
  334    HD1  HIS  28          1HD       HIS  28 -21.347   3.127   2.737
  335    HD2  HIS  28          2HD       HIS  28 -18.284   4.035   5.391
  336    HE1  HIS  28          1HE       HIS  28 -22.215   2.573   5.020
  337    QB   HIS  28           QB       HIS  28 -18.599   3.744   1.987
  338    H    HIS  29           H        HIS  29 -17.852   6.551   4.833
  339    HA   HIS  29           HA       HIS  29 -15.115   7.099   4.566
  340   1HB   HIS  29          2HB       HIS  29 -16.766   7.043   7.092
  341   2HB   HIS  29          1HB       HIS  29 -15.075   7.515   7.047
  342    HD1  HIS  29          1HD       HIS  29 -14.524   9.858   6.094
  343    HD2  HIS  29          2HD       HIS  29 -18.541   8.827   5.861
  344    HE1  HIS  29          1HE       HIS  29 -15.751  11.966   5.475
  345    QB   HIS  29           QB       HIS  29 -15.920   7.279   7.069
  346    H    LYS  30           H        LYS  30 -16.640   4.249   5.706
  347    HA   LYS  30           HA       LYS  30 -14.470   2.901   6.871
  348   1HB   LYS  30          2HB       LYS  30 -16.579   1.763   5.007
  349   2HB   LYS  30          1HB       LYS  30 -15.531   0.809   6.038
  350   1HG   LYS  30          2HG       LYS  30 -17.571   2.793   7.024
  351   2HG   LYS  30          1HG       LYS  30 -17.828   1.053   6.902
  352   1HD   LYS  30          2HD       LYS  30 -16.002   0.674   8.470
  353   2HD   LYS  30          1HD       LYS  30 -15.729   2.414   8.581
  354   1HE   LYS  30          2HE       LYS  30 -17.985   2.716   9.460
  355   2HE   LYS  30          1HE       LYS  30 -18.276   0.985   9.340
  356   1HZ   LYS  30          1HZ       LYS  30 -16.204   2.253  11.039
  357   2HZ   LYS  30          3HZ       LYS  30 -17.689   1.711  11.578
  358   3HZ   LYS  30          2HZ       LYS  30 -16.570   0.605  11.002
  359    QB   LYS  30           QB       LYS  30 -16.055   1.286   5.522
  360    QD   LYS  30           QD       LYS  30 -15.866   1.544   8.525
  361    QG   LYS  30           QG       LYS  30 -17.699   1.923   6.963
  362    QE   LYS  30           QE       LYS  30 -18.131   1.851   9.400
  363    QZ   LYS  30           QZ       LYS  30 -16.821   1.523  11.206
  364    H    VAL  31           H        VAL  31 -15.540   3.010   3.526
  365    HA   VAL  31           HA       VAL  31 -13.450   1.540   2.365
  366    HB   VAL  31           HB       VAL  31 -15.329   3.576   1.122
  367   1HG1  VAL  31          1HG1      VAL  31 -13.367   3.073  -0.299
  368   2HG1  VAL  31          3HG1      VAL  31 -13.793   1.359  -0.212
  369   3HG1  VAL  31          2HG1      VAL  31 -14.884   2.500  -0.993
  370   1HG2  VAL  31          3HG2      VAL  31 -16.513   1.768   2.248
  371   2HG2  VAL  31          2HG2      VAL  31 -16.686   1.625   0.495
  372   3HG2  VAL  31          1HG2      VAL  31 -15.560   0.582   1.366
  373    MG1  VAL  31           QG1      VAL  31 -14.015   2.311  -0.501
  374    MG2  VAL  31           QG2      VAL  31 -16.253   1.325   1.369
  375    QG   VAL  31           QQG      VAL  31 -15.134   1.818   0.434
  376    H    ILE  32           H        ILE  32 -14.007   5.011   2.754
  377    HA   ILE  32           HA       ILE  32 -11.772   5.962   1.366
  378    HB   ILE  32           HB       ILE  32 -13.157   7.230   3.755
  379   1HG1  ILE  32          2HG1      ILE  32 -13.539   7.696   0.781
  380   2HG1  ILE  32          1HG1      ILE  32 -14.637   6.790   1.814
  381   1HG2  ILE  32          3HG2      ILE  32 -11.295   8.469   1.720
  382   2HG2  ILE  32          2HG2      ILE  32 -12.200   9.355   2.944
  383   3HG2  ILE  32          1HG2      ILE  32 -10.948   8.209   3.430
  384   1HD1  ILE  32          3HD1      ILE  32 -15.095   8.828   3.097
  385   2HD1  ILE  32          2HD1      ILE  32 -14.000   9.726   2.050
  386   3HD1  ILE  32          1HD1      ILE  32 -15.478   9.023   1.386
  387    MG   ILE  32           QG2      ILE  32 -11.481   8.677   2.698
  388    MD   ILE  32           QD1      ILE  32 -14.858   9.192   2.178
  389    QG   ILE  32           QG1      ILE  32 -14.088   7.243   1.298
  390    H    SER  33           H        SER  33 -12.082   5.016   4.772
  391    HA   SER  33           HA       SER  33  -9.526   5.780   5.576
  392   1HB   SER  33          2HB       SER  33 -11.313   3.587   6.630
  393   2HB   SER  33          1HB       SER  33  -9.902   4.243   7.473
  394    HG   SER  33           HG       SER  33 -12.396   5.411   6.947
  395    QB   SER  33           QB       SER  33 -10.607   3.915   7.051
  396    H    PHE  34           H        PHE  34 -10.670   2.729   4.156
  397    HA   PHE  34           HA       PHE  34  -8.120   1.463   4.293
  398   1HB   PHE  34          2HB       PHE  34 -10.492   0.884   2.522
  399   2HB   PHE  34          1HB       PHE  34  -9.045  -0.113   2.564
  400    HD1  PHE  34          1HD       PHE  34  -8.441  -1.102   4.902
  401    HD2  PHE  34          2HD       PHE  34 -12.263   0.428   3.858
  402    HE1  PHE  34          1HE       PHE  34  -9.468  -2.447   6.692
  403    HE2  PHE  34          2HE       PHE  34 -13.299  -0.887   5.618
  404    HZ   PHE  34           HZ       PHE  34 -11.904  -2.339   7.059
  405    QB   PHE  34           QB       PHE  34  -9.769   0.386   2.543
  406    QD   PHE  34           QD       PHE  34 -10.352  -0.337   4.380
  407    QE   PHE  34           QE       PHE  34 -11.384  -1.667   6.155
  408    QR   PHE  34           QR       PHE  34 -11.075  -1.270   5.626
  409    H    SER  35           H        SER  35  -9.679   3.580   2.011
  410    HA   SER  35           HA       SER  35  -7.856   3.229  -0.123
  411   1HB   SER  35          2HB       SER  35  -9.498   5.694   0.556
  412   2HB   SER  35          1HB       SER  35  -8.789   5.315  -1.015
  413    HG   SER  35           HG       SER  35 -10.653   3.598   0.271
  414    QB   SER  35           QB       SER  35  -9.143   5.504  -0.230
  415    H    GLN  36           H        GLN  36  -7.921   5.304   2.711
  416    HA   GLN  36           HA       GLN  36  -5.596   6.817   2.122
  417   1HB   GLN  36          2HB       GLN  36  -6.836   6.130   4.787
  418   2HB   GLN  36          1HB       GLN  36  -5.582   7.337   4.555
  419   1HG   GLN  36          2HG       GLN  36  -8.355   7.429   3.377
  420   2HG   GLN  36          1HG       GLN  36  -7.835   8.270   4.829
  421   1HE2  GLN  36          1HE2      GLN  36  -8.301  10.236   4.024
  422   2HE2  GLN  36          2HE2      GLN  36  -7.396  11.015   2.779
  423    QB   GLN  36           QB       GLN  36  -6.209   6.733   4.671
  424    QG   GLN  36           QG       GLN  36  -8.095   7.849   4.103
  425    QE   GLN  36           QE2      GLN  36  -7.848  10.626   3.402
  426    H    GLU  37           H        GLU  37  -6.127   3.681   3.516
  427    HA   GLU  37           HA       GLU  37  -3.456   3.345   4.480
  428   1HB   GLU  37          2HB       GLU  37  -5.342   2.084   5.431
  429   2HB   GLU  37          1HB       GLU  37  -5.609   1.300   3.882
  430   1HG   GLU  37          2HG       GLU  37  -3.432   0.230   4.038
  431   2HG   GLU  37          1HG       GLU  37  -3.144   1.027   5.586
  432    QB   GLU  37           QB       GLU  37  -5.476   1.692   4.656
  433    QG   GLU  37           QG       GLU  37  -3.288   0.629   4.812
  434    H    LEU  38           H        LEU  38  -5.282   2.305   1.650
  435    HA   LEU  38           HA       LEU  38  -3.293   0.956   0.236
  436   1HB   LEU  38          2HB       LEU  38  -5.765   1.125  -0.309
  437   2HB   LEU  38          1HB       LEU  38  -5.470   2.737  -0.900
  438    HG   LEU  38           HG       LEU  38  -4.361   0.199  -2.158
  439   1HD1  LEU  38          1HD1      LEU  38  -6.683   1.932  -2.874
  440   2HD1  LEU  38          3HD1      LEU  38  -5.977   0.712  -3.927
  441   3HD1  LEU  38          2HD1      LEU  38  -6.698   0.228  -2.388
  442   1HD2  LEU  38          1HD2      LEU  38  -2.974   2.198  -2.649
  443   2HD2  LEU  38          3HD2      LEU  38  -3.819   1.606  -4.076
  444   3HD2  LEU  38          2HD2      LEU  38  -4.411   3.038  -3.227
  445    MD1  LEU  38           QD1      LEU  38  -6.453   0.957  -3.063
  446    MD2  LEU  38           QD2      LEU  38  -3.735   2.280  -3.317
  447    QB   LEU  38           QB       LEU  38  -5.617   1.931  -0.604
  448    QD   LEU  38           QQD      LEU  38  -5.094   1.619  -3.190
  449    H    ASP  39           H        ASP  39  -4.201   4.358   0.272
  450    HA   ASP  39           HA       ASP  39  -2.404   5.410  -1.558
  451   1HB   ASP  39          2HB       ASP  39  -4.340   6.592  -0.510
  452   2HB   ASP  39          1HB       ASP  39  -3.402   6.736   0.969
  453    QB   ASP  39           QB       ASP  39  -3.871   6.664   0.230
  454    H    ARG  40           H        ARG  40  -1.993   4.758   1.882
  455    HA   ARG  40           HA       ARG  40   0.590   5.823   2.222
  456   1HB   ARG  40          2HB       ARG  40  -0.727   5.190   4.150
  457   2HB   ARG  40          1HB       ARG  40  -0.788   3.520   3.616
  458   1HG   ARG  40          2HG       ARG  40   0.782   3.510   5.339
  459   2HG   ARG  40          1HG       ARG  40   1.755   3.525   3.873
  460   1HD   ARG  40          2HD       ARG  40   1.157   5.838   5.714
  461   2HD   ARG  40          1HD       ARG  40   2.702   5.034   5.502
  462    HE   ARG  40           HE       ARG  40   1.387   6.838   3.605
  463   1HH1  ARG  40          1HH1      ARG  40   4.350   5.145   4.595
  464   2HH1  ARG  40          2HH1      ARG  40   5.359   6.157   3.648
  465   1HH2  ARG  40          1HH2      ARG  40   2.863   8.236   2.391
  466   2HH2  ARG  40          2HH2      ARG  40   4.541   7.905   2.468
  467    QB   ARG  40           QB       ARG  40  -0.758   4.355   3.883
  468    QG   ARG  40           QG       ARG  40   1.269   3.517   4.606
  469    QD   ARG  40           QD       ARG  40   1.929   5.436   5.608
  470    QH1  ARG  40           QH1      ARG  40   4.854   5.651   4.121
  471    QH2  ARG  40           QH2      ARG  40   3.702   8.071   2.430
  472    H    LEU  41           H        LEU  41  -0.439   2.504   1.421
  473    HA   LEU  41           HA       LEU  41   2.189   1.497   1.163
  474   1HB   LEU  41          2HB       LEU  41  -0.485   0.439   0.317
  475   2HB   LEU  41          1HB       LEU  41   0.982  -0.352  -0.217
  476    HG   LEU  41           HG       LEU  41   1.596  -0.801   2.129
  477   1HD1  LEU  41          3HD1      LEU  41   0.474   1.076   3.205
  478   2HD1  LEU  41          2HD1      LEU  41  -1.089   0.357   2.824
  479   3HD1  LEU  41          1HD1      LEU  41   0.009  -0.462   3.932
  480   1HD2  LEU  41          3HD2      LEU  41   0.359  -2.444   0.839
  481   2HD2  LEU  41          2HD2      LEU  41  -0.086  -2.510   2.543
  482   3HD2  LEU  41          1HD2      LEU  41  -1.163  -1.737   1.374
  483    MD1  LEU  41           QD1      LEU  41  -0.202   0.324   3.320
  484    MD2  LEU  41           QD2      LEU  41  -0.297  -2.230   1.585
  485    QB   LEU  41           QB       LEU  41   0.249   0.044   0.050
  486    QD   LEU  41           QQD      LEU  41  -0.249  -0.953   2.453
  487    H    LEU  42           H        LEU  42  -0.004   2.953  -1.063
  488    HA   LEU  42           HA       LEU  42   1.431   2.427  -3.423
  489   1HB   LEU  42          2HB       LEU  42  -0.952   3.180  -3.272
  490   2HB   LEU  42          1HB       LEU  42  -0.397   4.748  -2.752
  491    HG   LEU  42           HG       LEU  42   0.324   3.646  -5.472
  492   1HD1  LEU  42          2HD1      LEU  42  -2.093   5.284  -4.697
  493   2HD1  LEU  42          1HD1      LEU  42  -1.598   4.888  -6.344
  494   3HD1  LEU  42          3HD1      LEU  42  -2.114   3.609  -5.244
  495   1HD2  LEU  42          2HD2      LEU  42   0.087   6.459  -4.380
  496   2HD2  LEU  42          1HD2      LEU  42   1.593   5.598  -4.697
  497   3HD2  LEU  42          3HD2      LEU  42   0.525   6.026  -6.032
  498    MD1  LEU  42           QD1      LEU  42  -1.935   4.594  -5.428
  499    MD2  LEU  42           QD2      LEU  42   0.735   6.028  -5.036
  500    QB   LEU  42           QB       LEU  42  -0.675   3.964  -3.012
  501    QD   LEU  42           QQD      LEU  42  -0.600   5.311  -5.232
  502    H    ASN  43           H        ASN  43   1.543   5.040  -1.063
  503    HA   ASN  43           HA       ASN  43   3.493   6.625  -2.365
  504   1HB   ASN  43          2HB       ASN  43   2.966   6.405   0.596
  505   2HB   ASN  43          1HB       ASN  43   4.001   7.602  -0.154
  506   1HD2  ASN  43          1HD2      ASN  43   2.076   7.917  -2.424
  507   2HD2  ASN  43          2HD2      ASN  43   0.775   8.818  -1.755
  508    QB   ASN  43           QB       ASN  43   3.483   7.003   0.221
  509    QD   ASN  43           QD2      ASN  43   1.425   8.368  -2.089
  510    H    LEU  44           H        LEU  44   3.725   3.778  -0.436
  511    HA   LEU  44           HA       LEU  44   6.433   3.973   0.282
  512   1HB   LEU  44          2HB       LEU  44   4.757   1.514  -0.182
  513   2HB   LEU  44          1HB       LEU  44   6.356   1.500   0.544
  514    HG   LEU  44           HG       LEU  44   3.898   2.817   1.695
  515   1HD1  LEU  44          2HD1      LEU  44   3.837   0.364   1.781
  516   2HD1  LEU  44          1HD1      LEU  44   5.411   0.363   2.573
  517   3HD1  LEU  44          3HD1      LEU  44   4.016   1.076   3.385
  518   1HD2  LEU  44          1HD2      LEU  44   6.687   2.537   2.818
  519   2HD2  LEU  44          3HD2      LEU  44   5.926   4.038   2.286
  520   3HD2  LEU  44          2HD2      LEU  44   5.283   3.181   3.674
  521    MD1  LEU  44           QD1      LEU  44   4.421   0.601   2.579
  522    MD2  LEU  44           QD2      LEU  44   5.965   3.252   2.926
  523    QB   LEU  44           QB       LEU  44   5.556   1.507   0.181
  524    QD   LEU  44           QQD      LEU  44   5.193   1.927   2.753
  525    H    LEU  45           H        LEU  45   4.909   2.902  -2.671
  526    HA   LEU  45           HA       LEU  45   7.230   1.844  -3.923
  527   1HB   LEU  45          2HB       LEU  45   4.810   3.190  -5.139
  528   2HB   LEU  45          1HB       LEU  45   6.057   2.385  -6.062
  529    HG   LEU  45           HG       LEU  45   4.216   1.026  -4.088
  530   1HD1  LEU  45          3HD1      LEU  45   4.222   1.069  -7.107
  531   2HD1  LEU  45          2HD1      LEU  45   3.173   0.076  -6.095
  532   3HD1  LEU  45          1HD1      LEU  45   3.027   1.831  -6.061
  533   1HD2  LEU  45          2HD2      LEU  45   6.419  -0.066  -4.342
  534   2HD2  LEU  45          1HD2      LEU  45   5.112  -1.039  -5.033
  535   3HD2  LEU  45          3HD2      LEU  45   6.180  -0.108  -6.079
  536    MD1  LEU  45           QD1      LEU  45   3.474   0.992  -6.421
  537    MD2  LEU  45           QD2      LEU  45   5.904  -0.404  -5.152
  538    QB   LEU  45           QB       LEU  45   5.433   2.788  -5.600
  539    QD   LEU  45           QQD      LEU  45   4.689   0.294  -5.786
  540    H    ILE  46           H        ILE  46   5.846   5.026  -3.668
  541    HA   ILE  46           HA       ILE  46   7.768   6.280  -5.351
  542    HB   ILE  46           HB       ILE  46   5.671   7.438  -3.478
  543   1HG1  ILE  46          2HG1      ILE  46   4.729   8.395  -5.601
  544   2HG1  ILE  46          1HG1      ILE  46   5.948   7.510  -6.498
  545   1HG2  ILE  46          2HG2      ILE  46   7.547   8.963  -3.394
  546   2HG2  ILE  46          1HG2      ILE  46   7.601   9.030  -5.155
  547   3HG2  ILE  46          3HG2      ILE  46   6.209   9.685  -4.290
  548   1HD1  ILE  46          3HD1      ILE  46   3.751   6.324  -4.820
  549   2HD1  ILE  46          2HD1      ILE  46   3.788   6.417  -6.581
  550   3HD1  ILE  46          1HD1      ILE  46   4.961   5.414  -5.722
  551    MG   ILE  46           QG2      ILE  46   7.119   9.226  -4.280
  552    MD   ILE  46           QD1      ILE  46   4.167   6.052  -5.707
  553    QG   ILE  46           QG1      ILE  46   5.338   7.953  -6.049
  554    H    GLU  47           H        GLU  47   7.401   5.918  -1.847
  555    HA   GLU  47           HA       GLU  47   9.662   7.455  -1.214
  556   1HB   GLU  47          2HB       GLU  47   8.356   5.255   0.387
  557   2HB   GLU  47          1HB       GLU  47   9.699   6.214   0.985
  558   1HG   GLU  47          2HG       GLU  47   8.240   8.251   0.570
  559   2HG   GLU  47          1HG       GLU  47   6.908   7.120   0.342
  560    QB   GLU  47           QB       GLU  47   9.027   5.735   0.686
  561    QG   GLU  47           QG       GLU  47   7.574   7.686   0.456
  562    H    LEU  48           H        LEU  48   9.371   4.050  -2.044
  563    HA   LEU  48           HA       LEU  48  12.079   3.413  -1.500
  564   1HB   LEU  48          2HB       LEU  48  10.294   1.774  -1.809
  565   2HB   LEU  48          1HB       LEU  48  10.259   2.172  -3.516
  566    HG   LEU  48           HG       LEU  48  12.454   1.265  -3.869
  567   1HD1  LEU  48          1HD1      LEU  48  12.565   0.894  -0.854
  568   2HD1  LEU  48          3HD1      LEU  48  13.755   0.301  -2.006
  569   3HD1  LEU  48          2HD1      LEU  48  13.547   2.031  -1.779
  570   1HD2  LEU  48          2HD2      LEU  48  10.589  -0.239  -3.731
  571   2HD2  LEU  48          1HD2      LEU  48  12.092  -1.010  -3.140
  572   3HD2  LEU  48          3HD2      LEU  48  10.907  -0.371  -1.987
  573    MD1  LEU  48           QD1      LEU  48  13.289   1.075  -1.547
  574    MD2  LEU  48           QD2      LEU  48  11.196  -0.540  -2.953
  575    QB   LEU  48           QB       LEU  48  10.277   1.973  -2.662
  576    QD   LEU  48           QQD      LEU  48  12.242   0.267  -2.250
  577    H    LYS  49           H        LYS  49  10.403   4.630  -4.310
  578    HA   LYS  49           HA       LYS  49  12.558   4.683  -6.119
  579   1HB   LYS  49          2HB       LYS  49  10.179   4.908  -6.791
  580   2HB   LYS  49          1HB       LYS  49  10.089   6.404  -5.886
  581   1HG   LYS  49          2HG       LYS  49  12.026   6.263  -8.140
  582   2HG   LYS  49          1HG       LYS  49  10.307   6.377  -8.512
  583   1HD   LYS  49          2HD       LYS  49  10.152   8.396  -7.123
  584   2HD   LYS  49          1HD       LYS  49  11.877   8.286  -6.781
  585   1HE   LYS  49          2HE       LYS  49  12.379   8.568  -9.147
  586   2HE   LYS  49          1HE       LYS  49  10.658   8.602  -9.519
  587   1HZ   LYS  49          1HZ       LYS  49  12.053  10.582  -7.795
  588   2HZ   LYS  49          3HZ       LYS  49  11.682  10.821  -9.410
  589   3HZ   LYS  49          2HZ       LYS  49  10.444  10.659  -8.287
  590    QB   LYS  49           QB       LYS  49  10.134   5.656  -6.339
  591    QD   LYS  49           QD       LYS  49  11.015   8.341  -6.952
  592    QG   LYS  49           QG       LYS  49  11.167   6.320  -8.326
  593    QE   LYS  49           QE       LYS  49  11.519   8.585  -9.333
  594    QZ   LYS  49           QZ       LYS  49  11.393  10.688  -8.497
  595    H    THR  50           H        THR  50  11.462   6.864  -3.641
  596    HA   THR  50           HA       THR  50  13.219   8.970  -4.298
  597    HB   THR  50           HB       THR  50  11.683   8.463  -1.728
  598    HG1  THR  50          1HG       THR  50  10.293   8.597  -3.500
  599   1HG2  THR  50          1HG2      THR  50  12.818  11.026  -2.872
  600   2HG2  THR  50          3HG2      THR  50  11.832  10.902  -1.415
  601   3HG2  THR  50          2HG2      THR  50  13.437  10.175  -1.456
  602    MG   THR  50           QG2      THR  50  12.696  10.701  -1.914
  603    H    LYS  51           H        LYS  51  13.480   6.085  -2.360
  604    HA   LYS  51           HA       LYS  51  15.736   6.778  -0.772
  605   1HB   LYS  51          2HB       LYS  51  14.919   4.046  -1.802
  606   2HB   LYS  51          1HB       LYS  51  16.135   4.351  -0.577
  607   1HG   LYS  51          2HG       LYS  51  13.225   5.016  -0.306
  608   2HG   LYS  51          1HG       LYS  51  13.997   3.563   0.326
  609   1HD   LYS  51          2HD       LYS  51  15.452   4.955   1.710
  610   2HD   LYS  51          1HD       LYS  51  14.664   6.409   1.093
  611   1HE   LYS  51          2HE       LYS  51  13.415   4.201   2.737
  612   2HE   LYS  51          1HE       LYS  51  13.712   5.861   3.246
  613   1HZ   LYS  51          3HZ       LYS  51  12.148   6.566   1.496
  614   2HZ   LYS  51          2HZ       LYS  51  11.812   4.920   1.205
  615   3HZ   LYS  51          1HZ       LYS  51  11.430   5.599   2.694
  616    QB   LYS  51           QB       LYS  51  15.527   4.198  -1.190
  617    QD   LYS  51           QD       LYS  51  15.058   5.682   1.401
  618    QG   LYS  51           QG       LYS  51  13.611   4.289   0.010
  619    QE   LYS  51           QE       LYS  51  13.564   5.031   2.991
  620    QZ   LYS  51           QZ       LYS  51  11.797   5.695   1.798
  621    H    LYS  52           H        LYS  52  15.270   5.727  -4.018
  622    HA   LYS  52           HA       LYS  52  16.523   5.310  -5.839
  623   1HB   LYS  52          2HB       LYS  52  18.314   6.891  -6.381
  624   2HB   LYS  52          1HB       LYS  52  16.919   7.714  -5.709
  625   1HG   LYS  52          2HG       LYS  52  18.014   8.031  -3.638
  626   2HG   LYS  52          1HG       LYS  52  19.352   6.987  -4.106
  627   1HD   LYS  52          2HD       LYS  52  19.932   8.594  -5.882
  628   2HD   LYS  52          1HD       LYS  52  18.587   9.614  -5.367
  629   1HE   LYS  52          2HE       LYS  52  19.575   9.978  -3.229
  630   2HE   LYS  52          1HE       LYS  52  20.836   8.788  -3.549
  631   1HZ   LYS  52          1HZ       LYS  52  20.499  11.373  -4.972
  632   2HZ   LYS  52          3HZ       LYS  52  21.663  11.013  -3.808
  633   3HZ   LYS  52          2HZ       LYS  52  21.689  10.213  -5.274
  634    QB   LYS  52           QB       LYS  52  17.616   7.302  -6.045
  635    QD   LYS  52           QD       LYS  52  19.259   9.104  -5.624
  636    QG   LYS  52           QG       LYS  52  18.683   7.509  -3.872
  637    QE   LYS  52           QE       LYS  52  20.206   9.383  -3.389
  638    QZ   LYS  52           QZ       LYS  52  21.284  10.866  -4.685
  639    H    LYS  53           H        LYS  53  17.313   3.882  -3.315
  640    HA   LYS  53           HA       LYS  53  20.056   3.163  -3.913
  641   1HB   LYS  53          2HB       LYS  53  19.941   1.789  -1.884
  642   2HB   LYS  53          1HB       LYS  53  19.486   3.473  -1.645
  643   1HG   LYS  53          2HG       LYS  53  17.150   2.896  -1.519
  644   2HG   LYS  53          1HG       LYS  53  17.507   1.217  -1.917
  645   1HD   LYS  53          2HD       LYS  53  18.648   2.595   0.507
  646   2HD   LYS  53          1HD       LYS  53  17.123   1.712   0.543
  647   1HE   LYS  53          2HE       LYS  53  19.695   0.473  -0.424
  648   2HE   LYS  53          1HE       LYS  53  19.210   0.421   1.278
  649   1HZ   LYS  53          3HZ       LYS  53  17.653  -0.670  -1.010
  650   2HZ   LYS  53          2HZ       LYS  53  18.601  -1.578   0.035
  651   3HZ   LYS  53          1HZ       LYS  53  17.233  -0.783   0.611
  652    QB   LYS  53           QB       LYS  53  19.714   2.631  -1.764
  653    QD   LYS  53           QD       LYS  53  17.886   2.154   0.525
  654    QG   LYS  53           QG       LYS  53  17.329   2.056  -1.718
  655    QE   LYS  53           QE       LYS  53  19.452   0.447   0.427
  656    QZ   LYS  53           QZ       LYS  53  17.829  -1.010  -0.122
  657    H    ARG  54           H        ARG  54  17.701   2.535  -5.580
  658    HA   ARG  54           HA       ARG  54  17.778  -0.339  -5.620
  659   1HB   ARG  54          2HB       ARG  54  16.411   1.639  -7.448
  660   2HB   ARG  54          1HB       ARG  54  16.358  -0.096  -7.690
  661   1HG   ARG  54          2HG       ARG  54  15.272  -0.296  -5.460
  662   2HG   ARG  54          1HG       ARG  54  15.205   1.469  -5.400
  663   1HD   ARG  54          2HD       ARG  54  13.094   0.565  -6.222
  664   2HD   ARG  54          1HD       ARG  54  13.917   1.486  -7.483
  665    HE   ARG  54           HE       ARG  54  14.717  -1.118  -7.845
  666   1HH1  ARG  54          1HH1      ARG  54  11.687   0.661  -7.993
  667   2HH1  ARG  54          2HH1      ARG  54  10.870  -0.450  -8.983
  668   1HH2  ARG  54          1HH2      ARG  54  13.674  -2.668  -9.259
  669   2HH2  ARG  54          2HH2      ARG  54  12.065  -2.427  -9.732
  670    QB   ARG  54           QB       ARG  54  16.384   0.772  -7.569
  671    QG   ARG  54           QG       ARG  54  15.238   0.586  -5.430
  672    QD   ARG  54           QD       ARG  54  13.505   1.025  -6.853
  673    QH1  ARG  54           QH1      ARG  54  11.279   0.105  -8.488
  674    QH2  ARG  54           QH2      ARG  54  12.869  -2.547  -9.495
  675    H    TYR  55           H        TYR  55  19.094  -1.453  -6.954
  676    HA   TYR  55           HA       TYR  55  21.177   0.079  -8.162
  677   1HB   TYR  55          2HB       TYR  55  20.835  -2.920  -8.011
  678   2HB   TYR  55          1HB       TYR  55  22.315  -2.065  -8.456
  679    HD1  TYR  55          1HD       TYR  55  23.550  -0.746  -6.732
  680    HD2  TYR  55          2HD       TYR  55  20.184  -3.132  -5.725
  681    HE1  TYR  55          1HE       TYR  55  24.137  -0.582  -4.342
  682    HE2  TYR  55          2HE       TYR  55  20.764  -2.987  -3.359
  683    HH   TYR  55           HH       TYR  55  22.983  -0.748  -2.200
  684    QB   TYR  55           QB       TYR  55  21.575  -2.493  -8.233
  685    QD   TYR  55           QD       TYR  55  21.867  -1.939  -6.228
  686    QE   TYR  55           QE       TYR  55  22.450  -1.784  -3.851
  687    QR   TYR  55           QR       TYR  55  22.159  -1.862  -5.039
  688    H    SER  56           H        SER  56  18.235  -0.628  -9.223
  689    HA   SER  56           HA       SER  56  18.748  -1.343 -11.909
  690   1HB   SER  56          2HB       SER  56  16.337  -0.521 -12.075
  691   2HB   SER  56          1HB       SER  56  16.627  -1.847 -10.945
  692    HG   SER  56           HG       SER  56  15.460   0.364 -10.388
  693    QB   SER  56           QB       SER  56  16.482  -1.184 -11.510
  694    H    LEU  57           H        LEU  57  18.721   1.541  -9.981
  695    HA   LEU  57           HA       LEU  57  18.669   3.391 -12.217
  696   1HB   LEU  57          2HB       LEU  57  19.301   3.887  -9.305
  697   2HB   LEU  57          1HB       LEU  57  19.000   5.113 -10.511
  698    HG   LEU  57           HG       LEU  57  16.969   3.156  -9.418
  699   1HD1  LEU  57          2HD1      LEU  57  17.287   6.116  -9.037
  700   2HD1  LEU  57          1HD1      LEU  57  15.951   5.129  -8.439
  701   3HD1  LEU  57          3HD1      LEU  57  17.584   4.867  -7.835
  702   1HD2  LEU  57          3HD2      LEU  57  16.640   5.394 -11.425
  703   2HD2  LEU  57          2HD2      LEU  57  16.508   3.667 -11.769
  704   3HD2  LEU  57          1HD2      LEU  57  15.331   4.446 -10.716
  705    MD1  LEU  57           QD1      LEU  57  16.941   5.371  -8.437
  706    MD2  LEU  57           QD2      LEU  57  16.160   4.502 -11.303
  707    QB   LEU  57           QB       LEU  57  19.150   4.500  -9.908
  708    QD   LEU  57           QQD      LEU  57  16.550   4.937  -9.870
  709    H    LEU  58           H        LEU  58  20.937   1.989  -9.988
  710    HA   LEU  58           HA       LEU  58  23.167   3.580 -10.842
  711   1HB   LEU  58          2HB       LEU  58  23.080   1.098  -9.134
  712   2HB   LEU  58          1HB       LEU  58  24.481   2.123  -9.357
  713    HG   LEU  58           HG       LEU  58  21.901   2.969  -8.025
  714   1HD1  LEU  58          3HD1      LEU  58  24.593   2.306  -6.865
  715   2HD1  LEU  58          2HD1      LEU  58  23.234   2.985  -5.970
  716   3HD1  LEU  58          1HD1      LEU  58  23.111   1.373  -6.674
  717   1HD2  LEU  58          3HD2      LEU  58  24.533   4.418  -8.338
  718   2HD2  LEU  58          2HD2      LEU  58  23.012   4.844  -9.121
  719   3HD2  LEU  58          1HD2      LEU  58  23.164   4.971  -7.373
  720    MD1  LEU  58           QD1      LEU  58  23.646   2.221  -6.503
  721    MD2  LEU  58           QD2      LEU  58  23.570   4.744  -8.277
  722    QB   LEU  58           QB       LEU  58  23.781   1.610  -9.246
  723    QD   LEU  58           QQD      LEU  58  23.608   3.483  -7.390
  724    H    GLU  59           H        GLU  59  22.017   0.287 -11.441
  725    HA   GLU  59           HA       GLU  59  24.181  -0.021 -13.380
  726   1HB   GLU  59          2HB       GLU  59  22.358  -2.176 -12.277
  727   2HB   GLU  59          1HB       GLU  59  23.791  -2.414 -13.266
  728   1HG   GLU  59          2HG       GLU  59  25.159  -1.537 -11.408
  729   2HG   GLU  59          1HG       GLU  59  23.693  -1.370 -10.449
  730    QB   GLU  59           QB       GLU  59  23.074  -2.295 -12.771
  731    QG   GLU  59           QG       GLU  59  24.426  -1.453 -10.928
  732    H    HIS  60           H        HIS  60  21.373  -1.907 -13.621
  733    HA   HIS  60           HA       HIS  60  20.185  -0.259 -15.689
  734   1HB   HIS  60          2HB       HIS  60  21.206  -3.072 -16.146
  735   2HB   HIS  60          1HB       HIS  60  19.935  -2.370 -17.130
  736    HD1  HIS  60          1HD       HIS  60  23.594  -2.604 -16.879
  737    HD2  HIS  60          2HD       HIS  60  20.816  -0.051 -18.608
  738    HE1  HIS  60          1HE       HIS  60  24.836  -1.303 -18.637
  739    QB   HIS  60           QB       HIS  60  20.571  -2.721 -16.638
  740    H    HIS  61           H        HIS  61  18.037  -0.730 -16.029
  741    HA   HIS  61           HA       HIS  61  16.796  -2.421 -13.977
  742   1HB   HIS  61          2HB       HIS  61  16.085  -0.017 -14.042
  743   2HB   HIS  61          1HB       HIS  61  15.551  -0.260 -15.696
  744    HD1  HIS  61          1HD       HIS  61  13.043  -0.566 -15.821
  745    HD2  HIS  61          2HD       HIS  61  14.659  -2.110 -12.314
  746    HE1  HIS  61          1HE       HIS  61  11.112  -1.452 -14.492
  747    QB   HIS  61           QB       HIS  61  15.818  -0.139 -14.869
  748    H    HIS  62           H        HIS  62  17.076  -1.775 -17.385
  749    HA   HIS  62           HA       HIS  62  15.318  -4.032 -17.910
  750   1HB   HIS  62          2HB       HIS  62  16.135  -1.778 -19.765
  751   2HB   HIS  62          1HB       HIS  62  15.018  -3.081 -20.162
  752    HD1  HIS  62          1HD       HIS  62  14.938   0.344 -19.196
  753    HD2  HIS  62          2HD       HIS  62  12.762  -3.021 -18.105
  754    HE1  HIS  62          1HE       HIS  62  12.796   1.196 -18.194
  755    QB   HIS  62           QB       HIS  62  15.576  -2.429 -19.963
  756    H    HIS  63           H        HIS  63  16.122  -5.722 -19.053
  757    HA   HIS  63           HA       HIS  63  18.933  -5.539 -19.884
  758   1HB   HIS  63          2HB       HIS  63  17.758  -7.756 -18.192
  759   2HB   HIS  63          1HB       HIS  63  19.367  -7.767 -18.894
  760    HD1  HIS  63          1HD       HIS  63  17.472  -6.608 -15.915
  761    HD2  HIS  63          2HD       HIS  63  21.160  -5.869 -17.695
  762    HE1  HIS  63          1HE       HIS  63  18.862  -5.467 -14.178
  763    QB   HIS  63           QB       HIS  63  18.563  -7.762 -18.543
  764    H    HIS  64           H        HIS  64  19.233  -6.348 -21.872
  765    HA   HIS  64           HA       HIS  64  17.160  -7.987 -23.017
  766   1HB   HIS  64          2HB       HIS  64  19.470  -6.441 -24.203
  767   2HB   HIS  64          1HB       HIS  64  18.412  -7.492 -25.126
  768    HD1  HIS  64          1HD       HIS  64  18.754  -4.040 -24.022
  769    HD2  HIS  64          2HD       HIS  64  15.633  -6.566 -25.076
  770    HE1  HIS  64          1HE       HIS  64  16.791  -2.548 -24.520
  771    QB   HIS  64           QB       HIS  64  18.941  -6.967 -24.664

  No H/Q in entry =         771
  Start of MODEL   20
    1    H1   MET   1          1HT       MET   1  12.687  -7.032   3.297
    2    H2   MET   1          3HT       MET   1  12.512  -8.706   3.198
    3    H3   MET   1          2HT       MET   1  13.726  -8.037   4.136
    4    HA   MET   1           HA       MET   1  14.836  -7.115   2.233
    5   1HB   MET   1          2HB       MET   1  15.375  -9.428   2.927
    6   2HB   MET   1          1HB       MET   1  14.151 -10.035   1.824
    7   1HG   MET   1          2HG       MET   1  15.431  -9.055  -0.060
    8   2HG   MET   1          1HG       MET   1  16.677  -8.570   1.090
    9   1HE   MET   1          1HE       MET   1  18.000 -10.363   2.621
   10   2HE   MET   1          3HE       MET   1  16.508 -11.188   3.079
   11   3HE   MET   1          2HE       MET   1  17.858 -12.108   2.423
   12    QB   MET   1           QB       MET   1  14.763  -9.732   2.375
   13    QG   MET   1           QG       MET   1  16.054  -8.813   0.515
   14    ME   MET   1           QE       MET   1  17.455 -11.220   2.708
   15    H    ASN   2           H        ASN   2  11.988  -9.050   1.297
   16    HA   ASN   2           HA       ASN   2  12.193  -8.271  -1.432
   17   1HB   ASN   2          2HB       ASN   2  11.378 -10.474  -0.945
   18   2HB   ASN   2          1HB       ASN   2  10.143  -9.841   0.133
   19   1HD2  ASN   2          1HD2      ASN   2  11.098 -10.298  -3.191
   20   2HD2  ASN   2          2HD2      ASN   2   9.555  -9.959  -3.859
   21    QB   ASN   2           QB       ASN   2  10.761 -10.158  -0.406
   22    QD   ASN   2           QD2      ASN   2  10.327 -10.128  -3.525
   23    H    VAL   3           H        VAL   3  11.538  -6.414  -2.204
   24    HA   VAL   3           HA       VAL   3   9.810  -4.616  -0.798
   25    HB   VAL   3           HB       VAL   3   9.981  -3.137  -2.724
   26   1HG1  VAL   3          1HG1      VAL   3  12.611  -4.395  -1.995
   27   2HG1  VAL   3          3HG1      VAL   3  12.409  -2.813  -2.747
   28   3HG1  VAL   3          2HG1      VAL   3  11.782  -3.103  -1.125
   29   1HG2  VAL   3          2HG2      VAL   3   9.857  -4.852  -4.515
   30   2HG2  VAL   3          1HG2      VAL   3  11.236  -3.761  -4.755
   31   3HG2  VAL   3          3HG2      VAL   3  11.469  -5.386  -4.109
   32    MG1  VAL   3           QG1      VAL   3  12.268  -3.437  -1.956
   33    MG2  VAL   3           QG2      VAL   3  10.854  -4.666  -4.459
   34    QG   VAL   3           QQG      VAL   3  11.561  -4.052  -3.208
   35    H    THR   4           H        THR   4   9.335  -7.026  -3.203
   36    HA   THR   4           HA       THR   4   7.208  -6.215  -4.702
   37    HB   THR   4           HB       THR   4   7.798  -8.954  -3.636
   38    HG1  THR   4          1HG       THR   4   8.871  -7.561  -5.872
   39   1HG2  THR   4          3HG2      THR   4   6.451  -7.958  -6.107
   40   2HG2  THR   4          2HG2      THR   4   6.877  -9.669  -5.793
   41   3HG2  THR   4          1HG2      THR   4   5.727  -8.812  -4.729
   42    MG   THR   4           QG2      THR   4   6.352  -8.813  -5.543
   43    H    LYS   5           H        LYS   5   7.239  -7.844  -1.626
   44    HA   LYS   5           HA       LYS   5   4.614  -8.489  -1.326
   45   1HB   LYS   5          2HB       LYS   5   5.088  -8.891   0.918
   46   2HB   LYS   5          1HB       LYS   5   6.555  -9.141  -0.037
   47   1HG   LYS   5          2HG       LYS   5   7.417  -6.974   0.659
   48   2HG   LYS   5          1HG       LYS   5   5.955  -6.689   1.604
   49   1HD   LYS   5          2HD       LYS   5   6.504  -8.718   2.929
   50   2HD   LYS   5          1HD       LYS   5   8.037  -8.802   2.052
   51   1HE   LYS   5          2HE       LYS   5   7.092  -6.601   3.884
   52   2HE   LYS   5          1HE       LYS   5   8.414  -7.738   4.125
   53   1HZ   LYS   5          1HZ       LYS   5   9.458  -6.705   2.085
   54   2HZ   LYS   5          3HZ       LYS   5   8.318  -5.456   2.234
   55   3HZ   LYS   5          2HZ       LYS   5   9.415  -5.768   3.469
   56    QB   LYS   5           QB       LYS   5   5.821  -9.016   0.440
   57    QD   LYS   5           QD       LYS   5   7.270  -8.760   2.490
   58    QG   LYS   5           QG       LYS   5   6.686  -6.832   1.132
   59    QE   LYS   5           QE       LYS   5   7.753  -7.170   4.005
   60    QZ   LYS   5           QZ       LYS   5   9.063  -5.976   2.596
   61    H    LEU   6           H        LEU   6   6.065  -5.341  -0.988
   62    HA   LEU   6           HA       LEU   6   4.094  -4.065   0.576
   63   1HB   LEU   6          2HB       LEU   6   6.362  -3.140   0.092
   64   2HB   LEU   6          1HB       LEU   6   5.854  -2.931  -1.571
   65    HG   LEU   6           HG       LEU   6   4.270  -1.218  -0.942
   66   1HD1  LEU   6          2HD1      LEU   6   5.203  -1.704   1.884
   67   2HD1  LEU   6          1HD1      LEU   6   4.136  -0.403   1.361
   68   3HD1  LEU   6          3HD1      LEU   6   3.600  -2.078   1.242
   69   1HD2  LEU   6          1HD2      LEU   6   6.586  -0.573  -1.380
   70   2HD2  LEU   6          3HD2      LEU   6   5.845   0.471  -0.171
   71   3HD2  LEU   6          2HD2      LEU   6   6.971  -0.788   0.324
   72    MD1  LEU   6           QD1      LEU   6   4.313  -1.395   1.496
   73    MD2  LEU   6           QD2      LEU   6   6.467  -0.297  -0.409
   74    QB   LEU   6           QB       LEU   6   6.108  -3.035  -0.739
   75    QD   LEU   6           QQD      LEU   6   5.390  -0.846   0.543
   76    H    ASN   7           H        ASN   7   4.571  -4.276  -2.958
   77    HA   ASN   7           HA       ASN   7   2.162  -2.935  -3.555
   78   1HB   ASN   7          2HB       ASN   7   4.002  -3.107  -5.236
   79   2HB   ASN   7          1HB       ASN   7   3.713  -4.834  -5.343
   80   1HD2  ASN   7          1HD2      ASN   7   1.981  -5.582  -6.545
   81   2HD2  ASN   7          2HD2      ASN   7   0.992  -4.562  -7.522
   82    QB   ASN   7           QB       ASN   7   3.857  -3.971  -5.289
   83    QD   ASN   7           QD2      ASN   7   1.486  -5.072  -7.033
   84    H    ASP   8           H        ASP   8   3.091  -6.175  -3.029
   85    HA   ASP   8           HA       ASP   8   0.815  -7.591  -3.803
   86   1HB   ASP   8          2HB       ASP   8   2.963  -8.618  -3.195
   87   2HB   ASP   8          1HB       ASP   8   2.710  -8.094  -1.535
   88    QB   ASP   8           QB       ASP   8   2.837  -8.356  -2.365
   89    H    ARG   9           H        ARG   9   1.502  -5.747  -0.870
   90    HA   ARG   9           HA       ARG   9  -0.802  -6.575   0.576
   91   1HB   ARG   9          2HB       ARG   9   0.683  -3.940   0.844
   92   2HB   ARG   9          1HB       ARG   9  -0.467  -4.585   1.998
   93   1HG   ARG   9          2HG       ARG   9   1.093  -6.501   2.350
   94   2HG   ARG   9          1HG       ARG   9   2.263  -5.658   1.335
   95   1HD   ARG   9          2HD       ARG   9   2.825  -5.135   3.585
   96   2HD   ARG   9          1HD       ARG   9   2.051  -3.699   2.924
   97    HE   ARG   9           HE       ARG   9   0.117  -5.327   4.135
   98   1HH1  ARG   9          1HH1      ARG   9   2.702  -3.102   5.038
   99   2HH1  ARG   9          2HH1      ARG   9   2.162  -2.870   6.621
  100   1HH2  ARG   9          1HH2      ARG   9  -0.662  -5.003   6.275
  101   2HH2  ARG   9          2HH2      ARG   9   0.149  -3.970   7.357
  102    QB   ARG   9           QB       ARG   9   0.108  -4.262   1.421
  103    QG   ARG   9           QG       ARG   9   1.678  -6.080   1.842
  104    QD   ARG   9           QD       ARG   9   2.438  -4.417   3.254
  105    QH1  ARG   9           QH1      ARG   9   2.432  -2.986   5.830
  106    QH2  ARG   9           QH2      ARG   9  -0.256  -4.486   6.816
  107    H    ILE  10           H        ILE  10  -0.073  -4.008  -1.655
  108    HA   ILE  10           HA       ILE  10  -2.489  -2.570  -1.519
  109    HB   ILE  10           HB       ILE  10  -0.731  -2.902  -3.968
  110   1HG1  ILE  10          2HG1      ILE  10  -0.503  -0.861  -1.751
  111   2HG1  ILE  10          1HG1      ILE  10   0.578  -2.231  -1.961
  112   1HG2  ILE  10          3HG2      ILE  10  -2.911  -1.847  -4.368
  113   2HG2  ILE  10          2HG2      ILE  10  -2.566  -0.669  -3.100
  114   3HG2  ILE  10          1HG2      ILE  10  -1.595  -0.680  -4.571
  115   1HD1  ILE  10          2HD1      ILE  10   1.244  -1.322  -4.150
  116   2HD1  ILE  10          1HD1      ILE  10   0.219   0.070  -3.860
  117   3HD1  ILE  10          3HD1      ILE  10   1.608  -0.227  -2.812
  118    MG   ILE  10           QG2      ILE  10  -2.358  -1.065  -4.013
  119    MD   ILE  10           QD1      ILE  10   1.024  -0.493  -3.607
  120    QG   ILE  10           QG1      ILE  10   0.037  -1.546  -1.856
  121    H    GLU  11           H        GLU  11  -1.354  -5.122  -3.706
  122    HA   GLU  11           HA       GLU  11  -3.528  -5.439  -5.357
  123   1HB   GLU  11          2HB       GLU  11  -1.748  -7.620  -4.263
  124   2HB   GLU  11          1HB       GLU  11  -2.817  -7.789  -5.646
  125   1HG   GLU  11          2HG       GLU  11  -0.477  -5.904  -5.452
  126   2HG   GLU  11          1HG       GLU  11  -0.490  -7.445  -6.305
  127    QB   GLU  11           QB       GLU  11  -2.283  -7.705  -4.954
  128    QG   GLU  11           QG       GLU  11  -0.484  -6.675  -5.878
  129    H    ALA  12           H        ALA  12  -3.003  -7.027  -2.240
  130    HA   ALA  12           HA       ALA  12  -5.411  -8.493  -2.262
  131   1HB   ALA  12          3HB       ALA  12  -3.524  -9.043  -0.798
  132   2HB   ALA  12          1HB       ALA  12  -5.020  -8.859   0.115
  133   3HB   ALA  12          2HB       ALA  12  -3.816  -7.571   0.128
  134    MB   ALA  12           QB       ALA  12  -4.120  -8.491  -0.185
  135    H    LYS  13           H        LYS  13  -4.648  -5.254  -1.040
  136    HA   LYS  13           HA       LYS  13  -7.234  -5.039   0.166
  137   1HB   LYS  13          2HB       LYS  13  -4.954  -3.106  -0.004
  138   2HB   LYS  13          1HB       LYS  13  -6.533  -2.606   0.588
  139   1HG   LYS  13          2HG       LYS  13  -6.419  -4.372   2.300
  140   2HG   LYS  13          1HG       LYS  13  -4.805  -4.790   1.731
  141   1HD   LYS  13          2HD       LYS  13  -3.979  -2.611   2.352
  142   2HD   LYS  13          1HD       LYS  13  -5.608  -2.074   2.769
  143   1HE   LYS  13          2HE       LYS  13  -4.357  -2.637   4.781
  144   2HE   LYS  13          1HE       LYS  13  -5.698  -3.754   4.557
  145   1HZ   LYS  13          3HZ       LYS  13  -4.116  -5.376   3.664
  146   2HZ   LYS  13          2HZ       LYS  13  -2.851  -4.295   3.901
  147   3HZ   LYS  13          1HZ       LYS  13  -3.702  -4.903   5.218
  148    QB   LYS  13           QB       LYS  13  -5.744  -2.856   0.292
  149    QD   LYS  13           QD       LYS  13  -4.793  -2.342   2.561
  150    QG   LYS  13           QG       LYS  13  -5.612  -4.581   2.015
  151    QE   LYS  13           QE       LYS  13  -5.027  -3.196   4.669
  152    QZ   LYS  13           QZ       LYS  13  -3.556  -4.858   4.261
  153    H    LYS  14           H        LYS  14  -5.847  -3.993  -2.843
  154    HA   LYS  14           HA       LYS  14  -7.918  -2.173  -3.420
  155   1HB   LYS  14          2HB       LYS  14  -7.100  -2.146  -5.718
  156   2HB   LYS  14          1HB       LYS  14  -5.745  -2.121  -4.611
  157   1HG   LYS  14          2HG       LYS  14  -5.626  -4.646  -5.002
  158   2HG   LYS  14          1HG       LYS  14  -6.683  -4.347  -6.379
  159   1HD   LYS  14          2HD       LYS  14  -3.965  -3.130  -5.903
  160   2HD   LYS  14          1HD       LYS  14  -4.343  -4.387  -7.073
  161   1HE   LYS  14          2HE       LYS  14  -5.832  -2.796  -8.257
  162   2HE   LYS  14          1HE       LYS  14  -5.374  -1.543  -7.106
  163   1HZ   LYS  14          2HZ       LYS  14  -3.056  -1.783  -7.866
  164   2HZ   LYS  14          1HZ       LYS  14  -3.538  -2.947  -8.967
  165   3HZ   LYS  14          3HZ       LYS  14  -4.064  -1.363  -9.135
  166    QB   LYS  14           QB       LYS  14  -6.423  -2.134  -5.164
  167    QD   LYS  14           QD       LYS  14  -4.154  -3.758  -6.488
  168    QG   LYS  14           QG       LYS  14  -6.155  -4.497  -5.691
  169    QE   LYS  14           QE       LYS  14  -5.603  -2.170  -7.682
  170    QZ   LYS  14           QZ       LYS  14  -3.553  -2.031  -8.656
  171    H    LYS  15           H        LYS  15  -7.562  -5.627  -3.874
  172    HA   LYS  15           HA       LYS  15  -9.916  -6.023  -5.447
  173   1HB   LYS  15          2HB       LYS  15  -8.454  -7.938  -3.621
  174   2HB   LYS  15          1HB       LYS  15  -9.705  -8.393  -4.766
  175   1HG   LYS  15          2HG       LYS  15  -7.056  -7.161  -5.490
  176   2HG   LYS  15          1HG       LYS  15  -7.425  -8.884  -5.533
  177   1HD   LYS  15          2HD       LYS  15  -9.204  -8.420  -7.198
  178   2HD   LYS  15          1HD       LYS  15  -8.755  -6.715  -7.168
  179   1HE   LYS  15          2HE       LYS  15  -6.517  -7.276  -7.965
  180   2HE   LYS  15          1HE       LYS  15  -6.936  -8.986  -7.953
  181   1HZ   LYS  15          3HZ       LYS  15  -8.650  -8.504  -9.635
  182   2HZ   LYS  15          2HZ       LYS  15  -8.198  -6.906  -9.670
  183   3HZ   LYS  15          1HZ       LYS  15  -7.116  -8.088 -10.190
  184    QB   LYS  15           QB       LYS  15  -9.079  -8.165  -4.193
  185    QD   LYS  15           QD       LYS  15  -8.980  -7.567  -7.183
  186    QG   LYS  15           QG       LYS  15  -7.241  -8.023  -5.511
  187    QE   LYS  15           QE       LYS  15  -6.727  -8.131  -7.959
  188    QZ   LYS  15           QZ       LYS  15  -7.988  -7.833  -9.832
  189    H    GLU  16           H        GLU  16  -9.254  -5.687  -2.092
  190    HA   GLU  16           HA       GLU  16 -11.736  -6.782  -1.146
  191   1HB   GLU  16          2HB       GLU  16  -9.778  -6.891   0.295
  192   2HB   GLU  16          1HB       GLU  16  -9.575  -5.150   0.201
  193   1HG   GLU  16          2HG       GLU  16 -11.566  -4.792   1.484
  194   2HG   GLU  16          1HG       GLU  16 -11.944  -6.514   1.455
  195    QB   GLU  16           QB       GLU  16  -9.677  -6.020   0.248
  196    QG   GLU  16           QG       GLU  16 -11.755  -5.653   1.469
  197    H    LEU  17           H        LEU  17 -10.316  -3.645  -1.633
  198    HA   LEU  17           HA       LEU  17 -12.461  -2.112  -0.849
  199   1HB   LEU  17          2HB       LEU  17 -10.099  -1.726  -2.527
  200   2HB   LEU  17          1HB       LEU  17 -11.362  -0.538  -2.703
  201    HG   LEU  17           HG       LEU  17  -9.954  -1.273  -0.115
  202   1HD1  LEU  17          3HD1      LEU  17  -8.526  -0.058  -1.658
  203   2HD1  LEU  17          2HD1      LEU  17  -9.760   1.192  -1.826
  204   3HD1  LEU  17          1HD1      LEU  17  -8.964   0.938  -0.272
  205   1HD2  LEU  17          1HD2      LEU  17 -12.011   0.838  -0.720
  206   2HD2  LEU  17          3HD2      LEU  17 -12.242  -0.562   0.326
  207   3HD2  LEU  17          2HD2      LEU  17 -11.116   0.714   0.785
  208    MD1  LEU  17           QD1      LEU  17  -9.083   0.691  -1.252
  209    MD2  LEU  17           QD2      LEU  17 -11.790   0.330   0.130
  210    QB   LEU  17           QB       LEU  17 -10.730  -1.132  -2.615
  211    QD   LEU  17           QQD      LEU  17 -10.437   0.510  -0.561
  212    H    ILE  18           H        ILE  18 -11.760  -3.461  -4.035
  213    HA   ILE  18           HA       ILE  18 -13.912  -2.317  -5.385
  214    HB   ILE  18           HB       ILE  18 -12.617  -5.033  -5.807
  215   1HG1  ILE  18          2HG1      ILE  18 -12.261  -2.400  -7.257
  216   2HG1  ILE  18          1HG1      ILE  18 -11.165  -3.035  -6.044
  217   1HG2  ILE  18          2HG2      ILE  18 -14.503  -3.540  -7.641
  218   2HG2  ILE  18          1HG2      ILE  18 -13.611  -5.003  -8.067
  219   3HG2  ILE  18          3HG2      ILE  18 -14.847  -5.054  -6.810
  220   1HD1  ILE  18          2HD1      ILE  18 -11.770  -4.293  -8.716
  221   2HD1  ILE  18          1HD1      ILE  18 -10.312  -3.396  -8.292
  222   3HD1  ILE  18          3HD1      ILE  18 -10.660  -4.935  -7.505
  223    MG   ILE  18           QG2      ILE  18 -14.321  -4.532  -7.506
  224    MD   ILE  18           QD1      ILE  18 -10.914  -4.208  -8.171
  225    QG   ILE  18           QG1      ILE  18 -11.713  -2.718  -6.651
  226    H    TYR  19           H        TYR  19 -13.791  -5.303  -3.508
  227    HA   TYR  19           HA       TYR  19 -16.478  -6.068  -3.827
  228   1HB   TYR  19          2HB       TYR  19 -14.924  -7.678  -2.954
  229   2HB   TYR  19          1HB       TYR  19 -14.459  -6.597  -1.649
  230    HD1  TYR  19          1HD       TYR  19 -17.350  -8.598  -2.917
  231    HD2  TYR  19          2HD       TYR  19 -15.481  -6.746   0.423
  232    HE1  TYR  19          1HE       TYR  19 -18.994  -9.647  -1.410
  233    HE2  TYR  19          2HE       TYR  19 -17.109  -7.780   1.925
  234    HH   TYR  19           HH       TYR  19 -19.270  -8.655   1.856
  235    QB   TYR  19           QB       TYR  19 -14.692  -7.137  -2.301
  236    QD   TYR  19           QD       TYR  19 -16.415  -7.672  -1.247
  237    QE   TYR  19           QE       TYR  19 -18.051  -8.714   0.257
  238    QR   TYR  19           QR       TYR  19 -17.233  -8.193  -0.495
  239    H    LEU  20           H        LEU  20 -14.896  -4.074  -1.381
  240    HA   LEU  20           HA       LEU  20 -17.172  -3.606   0.193
  241   1HB   LEU  20          2HB       LEU  20 -14.719  -1.874  -0.113
  242   2HB   LEU  20          1HB       LEU  20 -15.921  -1.712   1.148
  243    HG   LEU  20           HG       LEU  20 -14.044  -4.048   0.762
  244   1HD1  LEU  20          1HD1      LEU  20 -12.936  -2.076   1.619
  245   2HD1  LEU  20          3HD1      LEU  20 -14.156  -1.929   2.887
  246   3HD1  LEU  20          2HD1      LEU  20 -13.071  -3.317   2.866
  247   1HD2  LEU  20          1HD2      LEU  20 -16.125  -3.567   2.892
  248   2HD2  LEU  20          3HD2      LEU  20 -16.173  -4.824   1.650
  249   3HD2  LEU  20          2HD2      LEU  20 -14.925  -4.860   2.894
  250    MD1  LEU  20           QD1      LEU  20 -13.388  -2.441   2.457
  251    MD2  LEU  20           QD2      LEU  20 -15.741  -4.417   2.479
  252    QB   LEU  20           QB       LEU  20 -15.320  -1.793   0.518
  253    QD   LEU  20           QQD      LEU  20 -14.564  -3.429   2.468
  254    H    VAL  21           H        VAL  21 -15.774  -1.779  -2.472
  255    HA   VAL  21           HA       VAL  21 -17.577   0.348  -2.398
  256    HB   VAL  21           HB       VAL  21 -15.908  -0.706  -4.718
  257   1HG1  VAL  21          1HG1      VAL  21 -17.834   0.550  -5.608
  258   2HG1  VAL  21          3HG1      VAL  21 -17.423   1.900  -4.547
  259   3HG1  VAL  21          2HG1      VAL  21 -16.321   1.428  -5.841
  260   1HG2  VAL  21          3HG2      VAL  21 -15.574   1.651  -2.861
  261   2HG2  VAL  21          2HG2      VAL  21 -14.632   0.159  -2.850
  262   3HG2  VAL  21          1HG2      VAL  21 -14.515   1.258  -4.220
  263    MG1  VAL  21           QG1      VAL  21 -17.193   1.292  -5.332
  264    MG2  VAL  21           QG2      VAL  21 -14.907   1.023  -3.310
  265    QG   VAL  21           QQG      VAL  21 -16.050   1.158  -4.321
  266    H    GLU  22           H        GLU  22 -17.899  -2.803  -3.925
  267    HA   GLU  22           HA       GLU  22 -20.296  -2.184  -5.320
  268   1HB   GLU  22          2HB       GLU  22 -19.484  -4.833  -4.151
  269   2HB   GLU  22          1HB       GLU  22 -20.761  -4.570  -5.318
  270   1HG   GLU  22          2HG       GLU  22 -19.031  -3.795  -6.914
  271   2HG   GLU  22          1HG       GLU  22 -17.812  -4.277  -5.723
  272    QB   GLU  22           QB       GLU  22 -20.122  -4.702  -4.735
  273    QG   GLU  22           QG       GLU  22 -18.422  -4.036  -6.319
  274    H    LYS  23           H        LYS  23 -19.693  -3.580  -2.140
  275    HA   LYS  23           HA       LYS  23 -22.507  -3.912  -1.631
  276   1HB   LYS  23          2HB       LYS  23 -20.030  -4.704  -0.136
  277   2HB   LYS  23          1HB       LYS  23 -21.593  -4.779   0.657
  278   1HG   LYS  23          2HG       LYS  23 -20.876  -6.960  -0.281
  279   2HG   LYS  23          1HG       LYS  23 -22.396  -6.395  -0.962
  280   1HD   LYS  23          2HD       LYS  23 -21.160  -5.590  -2.950
  281   2HD   LYS  23          1HD       LYS  23 -19.671  -6.227  -2.257
  282   1HE   LYS  23          2HE       LYS  23 -20.467  -8.465  -2.419
  283   2HE   LYS  23          1HE       LYS  23 -22.091  -7.923  -2.831
  284   1HZ   LYS  23          3HZ       LYS  23 -19.701  -7.471  -4.594
  285   2HZ   LYS  23          2HZ       LYS  23 -20.824  -8.709  -4.771
  286   3HZ   LYS  23          1HZ       LYS  23 -21.313  -7.119  -4.918
  287    QB   LYS  23           QB       LYS  23 -20.812  -4.742   0.260
  288    QD   LYS  23           QD       LYS  23 -20.416  -5.908  -2.603
  289    QG   LYS  23           QG       LYS  23 -21.636  -6.678  -0.621
  290    QE   LYS  23           QE       LYS  23 -21.279  -8.194  -2.625
  291    QZ   LYS  23           QZ       LYS  23 -20.613  -7.766  -4.761
  292    H    TYR  24           H        TYR  24 -19.951  -1.965  -0.154
  293    HA   TYR  24           HA       TYR  24 -21.974  -0.559   1.433
  294   1HB   TYR  24          2HB       TYR  24 -18.949  -0.374   1.517
  295   2HB   TYR  24          1HB       TYR  24 -20.053   0.466   2.592
  296    HD1  TYR  24          1HD       TYR  24 -21.445  -0.902   4.189
  297    HD2  TYR  24          2HD       TYR  24 -18.221  -2.551   1.973
  298    HE1  TYR  24          1HE       TYR  24 -21.329  -2.776   5.768
  299    HE2  TYR  24          2HE       TYR  24 -18.094  -4.436   3.543
  300    HH   TYR  24           HH       TYR  24 -20.526  -5.141   5.701
  301    QB   TYR  24           QB       TYR  24 -19.501   0.046   2.054
  302    QD   TYR  24           QD       TYR  24 -19.833  -1.727   3.081
  303    QE   TYR  24           QE       TYR  24 -19.712  -3.606   4.656
  304    QR   TYR  24           QR       TYR  24 -19.773  -2.666   3.868
  305    H    GLY  25           H        GLY  25 -19.417  -0.128  -0.903
  306   1HA   GLY  25          1HA       GLY  25 -20.690   2.296  -1.859
  307   2HA   GLY  25          2HA       GLY  25 -19.385   1.411  -2.650
  308    QA   GLY  25           QA       GLY  25 -20.038   1.854  -2.254
  309    H    PHE  26           H        PHE  26 -19.981   4.182  -1.449
  310    HA   PHE  26           HA       PHE  26 -17.494   4.369   0.001
  311   1HB   PHE  26          2HB       PHE  26 -18.777   6.281  -1.940
  312   2HB   PHE  26          1HB       PHE  26 -17.666   6.888  -0.712
  313    HD1  PHE  26          1HD       PHE  26 -15.339   6.330  -0.736
  314    HD2  PHE  26          2HD       PHE  26 -17.959   4.852  -3.742
  315    HE1  PHE  26          1HE       PHE  26 -13.395   5.663  -2.086
  316    HE2  PHE  26          2HE       PHE  26 -16.013   4.185  -5.102
  317    HZ   PHE  26           HZ       PHE  26 -13.736   4.591  -4.274
  318    QB   PHE  26           QB       PHE  26 -18.221   6.584  -1.326
  319    QD   PHE  26           QD       PHE  26 -16.649   5.591  -2.239
  320    QE   PHE  26           QE       PHE  26 -14.704   4.924  -3.594
  321    QR   PHE  26           QR       PHE  26 -15.288   5.124  -3.188
  322    H    THR  27           H        THR  27 -18.281   7.143   0.916
  323    HA   THR  27           HA       THR  27 -19.035   8.066   2.688
  324    HB   THR  27           HB       THR  27 -21.323   7.775   3.495
  325    HG1  THR  27          1HG       THR  27 -21.295   5.482   1.846
  326   1HG2  THR  27          2HG2      THR  27 -21.004   9.167   1.549
  327   2HG2  THR  27          1HG2      THR  27 -21.162   7.768   0.486
  328   3HG2  THR  27          3HG2      THR  27 -22.549   8.326   1.424
  329    MG   THR  27           QG2      THR  27 -21.572   8.420   1.153
  330    H    HIS  28           H        HIS  28 -19.267   4.614   2.903
  331    HA   HIS  28           HA       HIS  28 -19.094   4.322   5.677
  332   1HB   HIS  28          2HB       HIS  28 -19.701   2.515   4.048
  333   2HB   HIS  28          1HB       HIS  28 -18.039   2.499   3.482
  334    HD1  HIS  28          1HD       HIS  28 -20.258   1.081   6.130
  335    HD2  HIS  28          2HD       HIS  28 -16.197   1.410   5.348
  336    HE1  HIS  28          1HE       HIS  28 -19.128  -0.588   7.600
  337    QB   HIS  28           QB       HIS  28 -18.870   2.507   3.765
  338    H    HIS  29           H        HIS  29 -17.540   4.921   6.921
  339    HA   HIS  29           HA       HIS  29 -15.318   6.349   6.047
  340   1HB   HIS  29          2HB       HIS  29 -15.902   5.286   8.809
  341   2HB   HIS  29          1HB       HIS  29 -14.691   6.500   8.423
  342    HD1  HIS  29          1HD       HIS  29 -15.611   8.888   7.696
  343    HD2  HIS  29          2HD       HIS  29 -18.497   6.192   8.987
  344    HE1  HIS  29          1HE       HIS  29 -17.692  10.244   8.131
  345    QB   HIS  29           QB       HIS  29 -15.297   5.893   8.616
  346    H    LYS  30           H        LYS  30 -15.529   3.009   7.124
  347    HA   LYS  30           HA       LYS  30 -12.748   2.597   7.356
  348   1HB   LYS  30          2HB       LYS  30 -14.854   0.546   6.609
  349   2HB   LYS  30          1HB       LYS  30 -13.207   0.184   7.077
  350   1HG   LYS  30          2HG       LYS  30 -15.270   1.499   8.826
  351   2HG   LYS  30          1HG       LYS  30 -14.783  -0.194   8.897
  352   1HD   LYS  30          2HD       LYS  30 -12.485   0.514   9.430
  353   2HD   LYS  30          1HD       LYS  30 -13.015   2.196   9.417
  354   1HE   LYS  30          2HE       LYS  30 -14.589   1.711  11.224
  355   2HE   LYS  30          1HE       LYS  30 -14.044   0.036  11.250
  356   1HZ   LYS  30          2HZ       LYS  30 -11.812   0.861  11.834
  357   2HZ   LYS  30          1HZ       LYS  30 -12.415   2.434  11.893
  358   3HZ   LYS  30          3HZ       LYS  30 -12.956   1.267  12.981
  359    QB   LYS  30           QB       LYS  30 -14.031   0.365   6.843
  360    QD   LYS  30           QD       LYS  30 -12.750   1.355   9.424
  361    QG   LYS  30           QG       LYS  30 -15.027   0.653   8.862
  362    QE   LYS  30           QE       LYS  30 -14.317   0.874  11.237
  363    QZ   LYS  30           QZ       LYS  30 -12.394   1.521  12.236
  364    H    VAL  31           H        VAL  31 -14.921   2.264   4.605
  365    HA   VAL  31           HA       VAL  31 -13.101   1.186   2.745
  366    HB   VAL  31           HB       VAL  31 -15.497   2.999   2.232
  367   1HG1  VAL  31          3HG1      VAL  31 -13.991   2.959   0.299
  368   2HG1  VAL  31          2HG1      VAL  31 -14.032   1.198   0.301
  369   3HG1  VAL  31          1HG1      VAL  31 -15.500   2.110  -0.048
  370   1HG2  VAL  31          3HG2      VAL  31 -15.253  -0.005   2.193
  371   2HG2  VAL  31          2HG2      VAL  31 -16.137   0.958   3.377
  372   3HG2  VAL  31          1HG2      VAL  31 -16.683   0.903   1.704
  373    MG1  VAL  31           QG1      VAL  31 -14.508   2.089   0.184
  374    MG2  VAL  31           QG2      VAL  31 -16.024   0.619   2.425
  375    QG   VAL  31           QQG      VAL  31 -15.266   1.354   1.305
  376    H    ILE  32           H        ILE  32 -13.991   4.470   3.529
  377    HA   ILE  32           HA       ILE  32 -12.357   5.798   1.667
  378    HB   ILE  32           HB       ILE  32 -13.241   6.782   4.404
  379   1HG1  ILE  32          2HG1      ILE  32 -14.571   7.147   1.704
  380   2HG1  ILE  32          1HG1      ILE  32 -15.112   6.018   2.939
  381   1HG2  ILE  32          1HG2      ILE  32 -11.438   8.112   3.421
  382   2HG2  ILE  32          3HG2      ILE  32 -12.375   8.318   1.944
  383   3HG2  ILE  32          2HG2      ILE  32 -12.946   9.029   3.457
  384   1HD1  ILE  32          3HD1      ILE  32 -15.564   7.898   4.440
  385   2HD1  ILE  32          2HD1      ILE  32 -15.021   9.016   3.188
  386   3HD1  ILE  32          1HD1      ILE  32 -16.464   8.033   2.930
  387    MG   ILE  32           QG2      ILE  32 -12.253   8.486   2.941
  388    MD   ILE  32           QD1      ILE  32 -15.683   8.316   3.520
  389    QG   ILE  32           QG1      ILE  32 -14.842   6.583   2.322
  390    H    SER  33           H        SER  33 -11.785   4.849   5.034
  391    HA   SER  33           HA       SER  33  -9.221   5.975   5.260
  392   1HB   SER  33          2HB       SER  33 -10.403   3.658   6.813
  393   2HB   SER  33          1HB       SER  33  -9.031   4.655   7.307
  394    HG   SER  33           HG       SER  33 -11.749   5.352   7.052
  395    QB   SER  33           QB       SER  33  -9.717   4.157   7.060
  396    H    PHE  34           H        PHE  34 -10.279   2.775   4.166
  397    HA   PHE  34           HA       PHE  34  -7.645   1.685   4.033
  398   1HB   PHE  34          2HB       PHE  34 -10.117   0.795   2.523
  399   2HB   PHE  34          1HB       PHE  34  -8.631  -0.129   2.677
  400    HD1  PHE  34          1HD       PHE  34 -11.518  -0.914   3.361
  401    HD2  PHE  34          2HD       PHE  34  -8.314   0.591   5.727
  402    HE1  PHE  34          1HE       PHE  34 -12.481  -1.993   5.347
  403    HE2  PHE  34          2HE       PHE  34  -9.271  -0.487   7.713
  404    HZ   PHE  34           HZ       PHE  34 -11.360  -1.778   7.529
  405    QB   PHE  34           QB       PHE  34  -9.374   0.333   2.600
  406    QD   PHE  34           QD       PHE  34  -9.916  -0.161   4.544
  407    QE   PHE  34           QE       PHE  34 -10.876  -1.240   6.530
  408    QR   PHE  34           QR       PHE  34 -10.589  -0.916   5.935
  409    H    SER  35           H        SER  35  -9.755   3.320   1.720
  410    HA   SER  35           HA       SER  35  -8.102   2.978  -0.525
  411   1HB   SER  35          2HB       SER  35 -10.516   3.709  -0.598
  412   2HB   SER  35          1HB       SER  35 -10.012   5.277   0.021
  413    HG   SER  35           HG       SER  35  -9.495   5.813  -1.932
  414    QB   SER  35           QB       SER  35 -10.264   4.493  -0.288
  415    H    GLN  36           H        GLN  36  -8.071   5.321   2.078
  416    HA   GLN  36           HA       GLN  36  -6.120   7.035   0.958
  417   1HB   GLN  36          2HB       GLN  36  -6.749   6.480   3.852
  418   2HB   GLN  36          1HB       GLN  36  -5.703   7.767   3.278
  419   1HG   GLN  36          2HG       GLN  36  -7.604   8.746   2.073
  420   2HG   GLN  36          1HG       GLN  36  -8.636   7.469   2.710
  421   1HE2  GLN  36          1HE2      GLN  36  -9.923   8.881   3.767
  422   2HE2  GLN  36          2HE2      GLN  36  -9.461   9.743   5.178
  423    QB   GLN  36           QB       GLN  36  -6.226   7.123   3.565
  424    QG   GLN  36           QG       GLN  36  -8.120   8.107   2.392
  425    QE   GLN  36           QE2      GLN  36  -9.692   9.312   4.473
  426    H    GLU  37           H        GLU  37  -5.898   4.115   2.915
  427    HA   GLU  37           HA       GLU  37  -3.099   4.288   3.321
  428   1HB   GLU  37          2HB       GLU  37  -4.603   2.925   4.749
  429   2HB   GLU  37          1HB       GLU  37  -4.863   1.830   3.396
  430   1HG   GLU  37          2HG       GLU  37  -2.483   1.274   3.391
  431   2HG   GLU  37          1HG       GLU  37  -2.225   2.376   4.741
  432    QB   GLU  37           QB       GLU  37  -4.733   2.377   4.072
  433    QG   GLU  37           QG       GLU  37  -2.354   1.825   4.066
  434    H    LEU  38           H        LEU  38  -5.171   2.646   0.998
  435    HA   LEU  38           HA       LEU  38  -3.313   1.229  -0.473
  436   1HB   LEU  38          2HB       LEU  38  -5.772   1.063  -0.745
  437   2HB   LEU  38          1HB       LEU  38  -5.811   2.660  -1.441
  438    HG   LEU  38           HG       LEU  38  -4.369   0.364  -2.827
  439   1HD1  LEU  38          1HD1      LEU  38  -7.243   1.189  -3.087
  440   2HD1  LEU  38          3HD1      LEU  38  -6.393   0.067  -4.146
  441   3HD1  LEU  38          2HD1      LEU  38  -6.634  -0.348  -2.452
  442   1HD2  LEU  38          3HD2      LEU  38  -3.932   2.687  -3.595
  443   2HD2  LEU  38          2HD2      LEU  38  -4.731   1.695  -4.817
  444   3HD2  LEU  38          1HD2      LEU  38  -5.654   2.882  -3.890
  445    MD1  LEU  38           QD1      LEU  38  -6.757   0.303  -3.228
  446    MD2  LEU  38           QD2      LEU  38  -4.772   2.421  -4.101
  447    QB   LEU  38           QB       LEU  38  -5.792   1.861  -1.093
  448    QD   LEU  38           QQD      LEU  38  -5.764   1.362  -3.665
  449    H    ASP  39           H        ASP  39  -4.434   4.552  -1.057
  450    HA   ASP  39           HA       ASP  39  -2.709   5.225  -3.179
  451   1HB   ASP  39          2HB       ASP  39  -4.585   6.664  -2.547
  452   2HB   ASP  39          1HB       ASP  39  -3.825   7.004  -0.996
  453    QB   ASP  39           QB       ASP  39  -4.205   6.834  -1.772
  454    H    ARG  40           H        ARG  40  -2.189   5.462   0.285
  455    HA   ARG  40           HA       ARG  40   0.336   6.692  -0.066
  456   1HB   ARG  40          2HB       ARG  40  -0.923   5.500   2.388
  457   2HB   ARG  40          1HB       ARG  40   0.658   6.272   2.392
  458   1HG   ARG  40          2HG       ARG  40  -2.020   7.536   1.827
  459   2HG   ARG  40          1HG       ARG  40  -0.892   7.902   3.135
  460   1HD   ARG  40          2HD       ARG  40   0.767   8.598   1.354
  461   2HD   ARG  40          1HD       ARG  40  -0.547   8.465   0.195
  462    HE   ARG  40           HE       ARG  40  -0.763  10.226   2.506
  463   1HH1  ARG  40          1HH1      ARG  40  -1.183   9.783  -1.013
  464   2HH1  ARG  40          2HH1      ARG  40  -1.153  11.432  -1.361
  465   1HH2  ARG  40          1HH2      ARG  40  -0.780  12.543   1.974
  466   2HH2  ARG  40          2HH2      ARG  40  -0.950  13.041   0.361
  467    QB   ARG  40           QB       ARG  40  -0.132   5.886   2.390
  468    QG   ARG  40           QG       ARG  40  -1.456   7.719   2.481
  469    QD   ARG  40           QD       ARG  40   0.110   8.531   0.774
  470    QH1  ARG  40           QH1      ARG  40  -1.168  10.608  -1.187
  471    QH2  ARG  40           QH2      ARG  40  -0.865  12.792   1.168
  472    H    LEU  41           H        LEU  41  -0.657   3.390   0.189
  473    HA   LEU  41           HA       LEU  41   1.935   2.313   0.530
  474   1HB   LEU  41          2HB       LEU  41  -0.476   1.137  -0.864
  475   2HB   LEU  41          1HB       LEU  41   0.972   0.239  -0.464
  476    HG   LEU  41           HG       LEU  41  -0.938   1.465   1.532
  477   1HD1  LEU  41          1HD1      LEU  41  -1.918  -0.428   0.354
  478   2HD1  LEU  41          3HD1      LEU  41  -0.508  -1.412   0.745
  479   3HD1  LEU  41          2HD1      LEU  41  -1.566  -0.831   2.032
  480   1HD2  LEU  41          3HD2      LEU  41   1.478  -0.305   1.940
  481   2HD2  LEU  41          2HD2      LEU  41   1.330   1.391   2.409
  482   3HD2  LEU  41          1HD2      LEU  41   0.332   0.173   3.193
  483    MD1  LEU  41           QD1      LEU  41  -1.331  -0.890   1.043
  484    MD2  LEU  41           QD2      LEU  41   1.047   0.420   2.514
  485    QB   LEU  41           QB       LEU  41   0.248   0.688  -0.664
  486    QD   LEU  41           QQD      LEU  41  -0.142  -0.235   1.779
  487    H    LEU  42           H        LEU  42   0.070   3.290  -2.291
  488    HA   LEU  42           HA       LEU  42   1.954   2.586  -4.252
  489   1HB   LEU  42          2HB       LEU  42  -0.244   4.579  -4.136
  490   2HB   LEU  42          1HB       LEU  42   0.881   4.773  -5.442
  491    HG   LEU  42           HG       LEU  42  -0.970   3.625  -6.299
  492   1HD1  LEU  42          1HD1      LEU  42   1.116   2.708  -7.056
  493   2HD1  LEU  42          3HD1      LEU  42   1.076   1.504  -5.764
  494   3HD1  LEU  42          2HD1      LEU  42  -0.156   1.491  -7.021
  495   1HD2  LEU  42          1HD2      LEU  42  -0.798   1.755  -3.960
  496   2HD2  LEU  42          3HD2      LEU  42  -2.040   2.959  -4.278
  497   3HD2  LEU  42          2HD2      LEU  42  -1.883   1.556  -5.339
  498    MD1  LEU  42           QD1      LEU  42   0.679   1.901  -6.614
  499    MD2  LEU  42           QD2      LEU  42  -1.574   2.090  -4.526
  500    QB   LEU  42           QB       LEU  42   0.319   4.676  -4.789
  501    QD   LEU  42           QQD      LEU  42  -0.448   1.995  -5.570
  502    H    ASN  43           H        ASN  43   1.651   5.439  -2.236
  503    HA   ASN  43           HA       ASN  43   3.748   6.956  -3.408
  504   1HB   ASN  43          2HB       ASN  43   2.507   7.076  -0.661
  505   2HB   ASN  43          1HB       ASN  43   3.863   8.101  -1.090
  506   1HD2  ASN  43          1HD2      ASN  43   1.360   7.274  -3.419
  507   2HD2  ASN  43          2HD2      ASN  43   0.669   8.849  -3.469
  508    QB   ASN  43           QB       ASN  43   3.185   7.589  -0.876
  509    QD   ASN  43           QD2      ASN  43   1.014   8.062  -3.444
  510    H    LEU  44           H        LEU  44   3.764   4.381  -1.144
  511    HA   LEU  44           HA       LEU  44   6.469   4.718  -0.328
  512   1HB   LEU  44          2HB       LEU  44   4.743   2.242  -0.299
  513   2HB   LEU  44          1HB       LEU  44   6.264   2.433   0.554
  514    HG   LEU  44           HG       LEU  44   3.713   3.946   1.117
  515   1HD1  LEU  44          2HD1      LEU  44   3.582   1.626   1.793
  516   2HD1  LEU  44          1HD1      LEU  44   5.106   1.780   2.670
  517   3HD1  LEU  44          3HD1      LEU  44   3.684   2.679   3.201
  518   1HD2  LEU  44          1HD2      LEU  44   6.368   3.998   2.546
  519   2HD2  LEU  44          3HD2      LEU  44   5.674   5.314   1.598
  520   3HD2  LEU  44          2HD2      LEU  44   4.891   4.792   3.089
  521    MD1  LEU  44           QD1      LEU  44   4.124   2.028   2.555
  522    MD2  LEU  44           QD2      LEU  44   5.644   4.701   2.411
  523    QB   LEU  44           QB       LEU  44   5.504   2.338   0.128
  524    QD   LEU  44           QQD      LEU  44   4.884   3.365   2.483
  525    H    LEU  45           H        LEU  45   4.821   2.842  -2.840
  526    HA   LEU  45           HA       LEU  45   7.126   1.529  -3.841
  527   1HB   LEU  45          2HB       LEU  45   4.594   2.312  -5.255
  528   2HB   LEU  45          1HB       LEU  45   5.832   1.300  -5.956
  529    HG   LEU  45           HG       LEU  45   4.146   0.611  -3.550
  530   1HD1  LEU  45          3HD1      LEU  45   2.935   0.638  -5.669
  531   2HD1  LEU  45          2HD1      LEU  45   4.157  -0.421  -6.372
  532   3HD1  LEU  45          1HD1      LEU  45   3.139  -1.004  -5.060
  533   1HD2  LEU  45          3HD2      LEU  45   6.393  -0.392  -3.441
  534   2HD2  LEU  45          2HD2      LEU  45   5.155  -1.607  -3.751
  535   3HD2  LEU  45          1HD2      LEU  45   6.176  -1.034  -5.070
  536    MD1  LEU  45           QD1      LEU  45   3.410  -0.262  -5.701
  537    MD2  LEU  45           QD2      LEU  45   5.908  -1.011  -4.087
  538    QB   LEU  45           QB       LEU  45   5.213   1.806  -5.605
  539    QD   LEU  45           QQD      LEU  45   4.659  -0.637  -4.894
  540    H    ILE  46           H        ILE  46   5.610   4.596  -4.586
  541    HA   ILE  46           HA       ILE  46   7.193   5.374  -6.750
  542    HB   ILE  46           HB       ILE  46   5.939   7.143  -4.609
  543   1HG1  ILE  46          2HG1      ILE  46   4.915   6.352  -7.348
  544   2HG1  ILE  46          1HG1      ILE  46   4.360   5.666  -5.829
  545   1HG2  ILE  46          1HG2      ILE  46   7.665   8.365  -5.852
  546   2HG2  ILE  46          3HG2      ILE  46   6.915   7.889  -7.378
  547   3HG2  ILE  46          2HG2      ILE  46   6.056   8.957  -6.268
  548   1HD1  ILE  46          1HD1      ILE  46   3.508   7.875  -5.161
  549   2HD1  ILE  46          3HD1      ILE  46   4.080   8.535  -6.691
  550   3HD1  ILE  46          2HD1      ILE  46   2.800   7.323  -6.676
  551    MG   ILE  46           QG2      ILE  46   6.879   8.404  -6.499
  552    MD   ILE  46           QD1      ILE  46   3.463   7.911  -6.176
  553    QG   ILE  46           QG1      ILE  46   4.637   6.009  -6.588
  554    H    GLU  47           H        GLU  47   7.845   5.399  -3.339
  555    HA   GLU  47           HA       GLU  47  10.163   7.023  -3.418
  556   1HB   GLU  47          2HB       GLU  47   8.808   6.467  -1.386
  557   2HB   GLU  47          1HB       GLU  47   9.477   4.846  -1.441
  558   1HG   GLU  47          2HG       GLU  47  11.707   5.751  -1.105
  559   2HG   GLU  47          1HG       GLU  47  11.037   7.384  -1.068
  560    QB   GLU  47           QB       GLU  47   9.142   5.657  -1.413
  561    QG   GLU  47           QG       GLU  47  11.372   6.567  -1.086
  562    H    LEU  48           H        LEU  48   9.594   3.546  -3.708
  563    HA   LEU  48           HA       LEU  48  12.351   2.856  -3.975
  564   1HB   LEU  48          2HB       LEU  48   9.816   1.343  -4.589
  565   2HB   LEU  48          1HB       LEU  48  11.370   0.699  -5.052
  566    HG   LEU  48           HG       LEU  48  10.657  -0.370  -3.036
  567   1HD1  LEU  48          3HD1      LEU  48  13.022   0.028  -3.215
  568   2HD1  LEU  48          2HD1      LEU  48  12.850   1.580  -2.398
  569   3HD1  LEU  48          1HD1      LEU  48  12.500   0.087  -1.532
  570   1HD2  LEU  48          3HD2      LEU  48  10.439   2.370  -1.791
  571   2HD2  LEU  48          2HD2      LEU  48   9.098   1.288  -2.172
  572   3HD2  LEU  48          1HD2      LEU  48  10.270   0.837  -0.934
  573    MD1  LEU  48           QD1      LEU  48  12.791   0.565  -2.382
  574    MD2  LEU  48           QD2      LEU  48   9.936   1.498  -1.632
  575    QB   LEU  48           QB       LEU  48  10.593   1.021  -4.820
  576    QD   LEU  48           QQD      LEU  48  11.363   1.031  -2.007
  577    H    LYS  49           H        LYS  49   9.804   3.681  -6.201
  578    HA   LYS  49           HA       LYS  49  11.079   3.252  -8.664
  579   1HB   LYS  49          2HB       LYS  49   9.172   5.430  -7.813
  580   2HB   LYS  49          1HB       LYS  49   9.678   5.179  -9.470
  581   1HG   LYS  49          2HG       LYS  49   8.283   3.068  -7.844
  582   2HG   LYS  49          1HG       LYS  49   7.428   4.266  -8.811
  583   1HD   LYS  49          2HD       LYS  49   9.464   2.307  -9.882
  584   2HD   LYS  49          1HD       LYS  49   7.717   2.103  -9.984
  585   1HE   LYS  49          2HE       LYS  49   9.358   4.308 -11.272
  586   2HE   LYS  49          1HE       LYS  49   8.573   2.968 -12.086
  587   1HZ   LYS  49          1HZ       LYS  49   6.409   3.871 -11.380
  588   2HZ   LYS  49          3HZ       LYS  49   7.183   5.174 -10.647
  589   3HZ   LYS  49          2HZ       LYS  49   7.280   4.995 -12.291
  590    QB   LYS  49           QB       LYS  49   9.425   5.305  -8.642
  591    QD   LYS  49           QD       LYS  49   8.591   2.205  -9.933
  592    QG   LYS  49           QG       LYS  49   7.855   3.667  -8.327
  593    QE   LYS  49           QE       LYS  49   8.965   3.638 -11.679
  594    QZ   LYS  49           QZ       LYS  49   6.957   4.680 -11.439
  595    H    THR  50           H        THR  50  11.179   5.954  -6.441
  596    HA   THR  50           HA       THR  50  12.749   7.686  -7.984
  597    HB   THR  50           HB       THR  50  12.425   7.584  -4.967
  598    HG1  THR  50          1HG       THR  50  10.391   7.765  -5.883
  599   1HG2  THR  50          1HG2      THR  50  14.243   9.097  -5.706
  600   2HG2  THR  50          3HG2      THR  50  13.119   9.896  -6.804
  601   3HG2  THR  50          2HG2      THR  50  12.875  10.003  -5.063
  602    MG   THR  50           QG2      THR  50  13.412   9.665  -5.857
  603    H    LYS  51           H        LYS  51  13.640   4.875  -6.122
  604    HA   LYS  51           HA       LYS  51  16.382   5.628  -5.721
  605   1HB   LYS  51          2HB       LYS  51  15.169   2.849  -5.681
  606   2HB   LYS  51          1HB       LYS  51  16.704   3.333  -4.981
  607   1HG   LYS  51          2HG       LYS  51  13.976   4.222  -4.065
  608   2HG   LYS  51          1HG       LYS  51  14.995   3.024  -3.268
  609   1HD   LYS  51          2HD       LYS  51  16.662   4.741  -2.810
  610   2HD   LYS  51          1HD       LYS  51  15.691   5.927  -3.692
  611   1HE   LYS  51          2HE       LYS  51  13.872   5.622  -2.083
  612   2HE   LYS  51          1HE       LYS  51  14.854   4.452  -1.205
  613   1HZ   LYS  51          1HZ       LYS  51  15.544   7.308  -1.612
  614   2HZ   LYS  51          3HZ       LYS  51  14.876   6.677  -0.218
  615   3HZ   LYS  51          2HZ       LYS  51  16.428   6.220  -0.676
  616    QB   LYS  51           QB       LYS  51  15.936   3.091  -5.331
  617    QD   LYS  51           QD       LYS  51  16.177   5.334  -3.251
  618    QG   LYS  51           QG       LYS  51  14.485   3.623  -3.666
  619    QE   LYS  51           QE       LYS  51  14.363   5.037  -1.644
  620    QZ   LYS  51           QZ       LYS  51  15.616   6.735  -0.835
  621    H    LYS  52           H        LYS  52  14.445   4.382  -8.187
  622    HA   LYS  52           HA       LYS  52  14.620   3.619 -10.203
  623   1HB   LYS  52          2HB       LYS  52  16.116   4.844 -11.758
  624   2HB   LYS  52          1HB       LYS  52  15.170   5.861 -10.693
  625   1HG   LYS  52          2HG       LYS  52  17.194   6.124  -9.268
  626   2HG   LYS  52          1HG       LYS  52  18.113   5.246 -10.490
  627   1HD   LYS  52          2HD       LYS  52  17.439   6.947 -12.167
  628   2HD   LYS  52          1HD       LYS  52  16.566   7.807 -10.908
  629   1HE   LYS  52          2HE       LYS  52  18.692   8.883 -11.241
  630   2HE   LYS  52          1HE       LYS  52  18.690   8.092  -9.669
  631   1HZ   LYS  52          2HZ       LYS  52  19.946   6.238 -10.703
  632   2HZ   LYS  52          1HZ       LYS  52  20.014   7.108 -12.146
  633   3HZ   LYS  52          3HZ       LYS  52  20.754   7.703 -10.757
  634    QB   LYS  52           QB       LYS  52  15.643   5.353 -11.225
  635    QD   LYS  52           QD       LYS  52  17.002   7.377 -11.538
  636    QG   LYS  52           QG       LYS  52  17.653   5.685  -9.879
  637    QE   LYS  52           QE       LYS  52  18.691   8.487 -10.455
  638    QZ   LYS  52           QZ       LYS  52  20.238   7.016 -11.202
  639    H    LYS  53           H        LYS  53  16.636   2.321  -8.261
  640    HA   LYS  53           HA       LYS  53  18.134   0.818 -10.283
  641   1HB   LYS  53          2HB       LYS  53  19.441  -0.014  -8.392
  642   2HB   LYS  53          1HB       LYS  53  19.367   1.748  -8.396
  643   1HG   LYS  53          2HG       LYS  53  17.754   1.749  -6.619
  644   2HG   LYS  53          1HG       LYS  53  17.603  -0.001  -6.693
  645   1HD   LYS  53          2HD       LYS  53  20.011  -0.185  -6.103
  646   2HD   LYS  53          1HD       LYS  53  20.047   1.564  -5.879
  647   1HE   LYS  53          2HE       LYS  53  18.369   1.410  -4.157
  648   2HE   LYS  53          1HE       LYS  53  18.229  -0.328  -4.404
  649   1HZ   LYS  53          1HZ       LYS  53  20.521  -0.564  -3.681
  650   2HZ   LYS  53          3HZ       LYS  53  20.631   1.105  -3.416
  651   3HZ   LYS  53          2HZ       LYS  53  19.563   0.166  -2.497
  652    QB   LYS  53           QB       LYS  53  19.404   0.867  -8.394
  653    QD   LYS  53           QD       LYS  53  20.029   0.689  -5.991
  654    QG   LYS  53           QG       LYS  53  17.678   0.874  -6.656
  655    QE   LYS  53           QE       LYS  53  18.299   0.541  -4.280
  656    QZ   LYS  53           QZ       LYS  53  20.238   0.236  -3.198
  657    H    ARG  54           H        ARG  54  15.246   0.682  -9.521
  658    HA   ARG  54           HA       ARG  54  15.067  -2.074  -8.595
  659   1HB   ARG  54          2HB       ARG  54  13.101   0.197  -8.552
  660   2HB   ARG  54          1HB       ARG  54  12.581  -1.449  -8.259
  661   1HG   ARG  54          2HG       ARG  54  14.657   0.052  -6.650
  662   2HG   ARG  54          1HG       ARG  54  12.978  -0.220  -6.169
  663   1HD   ARG  54          2HD       ARG  54  13.343  -2.616  -6.100
  664   2HD   ARG  54          1HD       ARG  54  14.977  -2.431  -6.725
  665    HE   ARG  54           HE       ARG  54  14.917  -0.946  -4.442
  666   1HH1  ARG  54          1HH1      ARG  54  14.247  -4.400  -5.195
  667   2HH1  ARG  54          2HH1      ARG  54  14.814  -4.939  -3.698
  668   1HH2  ARG  54          1HH2      ARG  54  15.738  -1.792  -2.395
  669   2HH2  ARG  54          2HH2      ARG  54  15.691  -3.463  -2.121
  670    QB   ARG  54           QB       ARG  54  12.841  -0.626  -8.405
  671    QG   ARG  54           QG       ARG  54  13.818  -0.084  -6.409
  672    QD   ARG  54           QD       ARG  54  14.160  -2.524  -6.413
  673    QH1  ARG  54           QH1      ARG  54  14.530  -4.669  -4.447
  674    QH2  ARG  54           QH2      ARG  54  15.714  -2.628  -2.258
  675    H    TYR  55           H        TYR  55  13.452  -3.454  -9.567
  676    HA   TYR  55           HA       TYR  55  14.071  -3.623 -12.325
  677   1HB   TYR  55          2HB       TYR  55  12.249  -5.345 -10.651
  678   2HB   TYR  55          1HB       TYR  55  12.770  -5.716 -12.293
  679    HD1  TYR  55          1HD       TYR  55  13.580  -5.920  -8.813
  680    HD2  TYR  55          2HD       TYR  55  15.273  -6.011 -12.714
  681    HE1  TYR  55          1HE       TYR  55  15.592  -6.993  -7.909
  682    HE2  TYR  55          2HE       TYR  55  17.289  -7.093 -11.814
  683    HH   TYR  55           HH       TYR  55  18.452  -7.192  -9.578
  684    QB   TYR  55           QB       TYR  55  12.510  -5.531 -11.472
  685    QD   TYR  55           QD       TYR  55  14.426  -5.965 -10.763
  686    QE   TYR  55           QE       TYR  55  16.441  -7.043  -9.862
  687    QR   TYR  55           QR       TYR  55  15.433  -6.504 -10.313
  688    H    SER  56           H        SER  56  11.603  -1.994 -10.767
  689    HA   SER  56           HA       SER  56   9.592  -2.277 -12.714
  690   1HB   SER  56          2HB       SER  56   8.933  -0.025 -11.502
  691   2HB   SER  56          1HB       SER  56   8.801  -1.572 -10.657
  692    HG   SER  56           HG       SER  56  10.140  -0.821  -9.295
  693    QB   SER  56           QB       SER  56   8.867  -0.798 -11.079
  694    H    LEU  57           H        LEU  57  12.455  -0.359 -12.413
  695    HA   LEU  57           HA       LEU  57  11.723   1.030 -14.882
  696   1HB   LEU  57          2HB       LEU  57  13.724   1.798 -12.772
  697   2HB   LEU  57          1HB       LEU  57  13.592   2.602 -14.323
  698    HG   LEU  57           HG       LEU  57  11.429   2.494 -12.219
  699   1HD1  LEU  57          2HD1      LEU  57  13.219   4.745 -13.104
  700   2HD1  LEU  57          1HD1      LEU  57  11.871   4.880 -11.973
  701   3HD1  LEU  57          3HD1      LEU  57  13.273   3.901 -11.557
  702   1HD2  LEU  57          3HD2      LEU  57  11.530   3.921 -14.882
  703   2HD2  LEU  57          2HD2      LEU  57  10.455   2.592 -14.442
  704   3HD2  LEU  57          1HD2      LEU  57  10.293   4.152 -13.647
  705    MD1  LEU  57           QD1      LEU  57  12.788   4.509 -12.211
  706    MD2  LEU  57           QD2      LEU  57  10.759   3.555 -14.324
  707    QB   LEU  57           QB       LEU  57  13.658   2.200 -13.548
  708    QD   LEU  57           QQD      LEU  57  11.773   4.032 -13.267
  709    H    LEU  58           H        LEU  58  14.034  -1.099 -13.422
  710    HA   LEU  58           HA       LEU  58  15.960  -0.921 -15.512
  711   1HB   LEU  58          2HB       LEU  58  15.553  -3.164 -13.532
  712   2HB   LEU  58          1HB       LEU  58  16.926  -2.976 -14.583
  713    HG   LEU  58           HG       LEU  58  16.188  -1.139 -12.311
  714   1HD1  LEU  58          1HD1      LEU  58  17.053  -3.289 -11.582
  715   2HD1  LEU  58          3HD1      LEU  58  18.450  -3.105 -12.645
  716   3HD1  LEU  58          2HD1      LEU  58  18.228  -2.005 -11.287
  717   1HD2  LEU  58          1HD2      LEU  58  18.551  -1.064 -14.195
  718   2HD2  LEU  58          3HD2      LEU  58  17.239   0.116 -14.119
  719   3HD2  LEU  58          2HD2      LEU  58  18.349  -0.061 -12.761
  720    MD1  LEU  58           QD1      LEU  58  17.910  -2.799 -11.838
  721    MD2  LEU  58           QD2      LEU  58  18.047  -0.336 -13.692
  722    QB   LEU  58           QB       LEU  58  16.239  -3.070 -14.058
  723    QD   LEU  58           QQD      LEU  58  17.978  -1.568 -12.765
  724    H    GLU  59           H        GLU  59  13.095  -2.884 -15.008
  725    HA   GLU  59           HA       GLU  59  13.698  -4.338 -17.433
  726   1HB   GLU  59          2HB       GLU  59  11.735  -4.880 -15.207
  727   2HB   GLU  59          1HB       GLU  59  11.906  -5.862 -16.656
  728   1HG   GLU  59          2HG       GLU  59  14.080  -5.390 -14.641
  729   2HG   GLU  59          1HG       GLU  59  13.033  -6.808 -14.665
  730    QB   GLU  59           QB       GLU  59  11.821  -5.371 -15.931
  731    QG   GLU  59           QG       GLU  59  13.557  -6.099 -14.653
  732    H    HIS  60           H        HIS  60  12.764  -3.561 -19.097
  733    HA   HIS  60           HA       HIS  60  10.794  -1.546 -19.007
  734   1HB   HIS  60          2HB       HIS  60  10.632  -1.859 -21.533
  735   2HB   HIS  60          1HB       HIS  60  12.228  -1.479 -20.922
  736    HD1  HIS  60          1HD       HIS  60  14.111  -3.078 -21.642
  737    HD2  HIS  60          2HD       HIS  60  10.310  -4.631 -22.329
  738    HE1  HIS  60          1HE       HIS  60  14.443  -5.178 -22.955
  739    QB   HIS  60           QB       HIS  60  11.430  -1.669 -21.228
  740    H    HIS  61           H        HIS  61   8.780  -1.777 -18.423
  741    HA   HIS  61           HA       HIS  61   7.318  -3.962 -19.612
  742   1HB   HIS  61          2HB       HIS  61   6.151  -4.550 -17.548
  743   2HB   HIS  61          1HB       HIS  61   7.877  -4.714 -17.323
  744    HD1  HIS  61          1HD       HIS  61   4.886  -2.866 -16.056
  745    HD2  HIS  61          2HD       HIS  61   8.999  -2.875 -15.466
  746    HE1  HIS  61          1HE       HIS  61   5.286  -1.605 -13.925
  747    QB   HIS  61           QB       HIS  61   7.014  -4.632 -17.435
  748    H    HIS  62           H        HIS  62   5.628  -3.369 -20.570
  749    HA   HIS  62           HA       HIS  62   3.890  -2.281 -21.382
  750   1HB   HIS  62          2HB       HIS  62   2.914  -2.652 -19.164
  751   2HB   HIS  62          1HB       HIS  62   3.604  -1.142 -18.588
  752    HD1  HIS  62          1HD       HIS  62   1.968   0.754 -18.631
  753    HD2  HIS  62          2HD       HIS  62   1.043  -2.162 -21.428
  754    HE1  HIS  62          1HE       HIS  62  -0.194   1.472 -19.702
  755    QB   HIS  62           QB       HIS  62   3.259  -1.897 -18.876
  756    H    HIS  63           H        HIS  63   4.692  -1.058 -22.922
  757    HA   HIS  63           HA       HIS  63   5.618   1.621 -22.284
  758   1HB   HIS  63          2HB       HIS  63   6.842   0.142 -23.948
  759   2HB   HIS  63          1HB       HIS  63   5.434   0.275 -24.992
  760    HD1  HIS  63          1HD       HIS  63   8.392   2.198 -23.764
  761    HD2  HIS  63          2HD       HIS  63   5.135   2.732 -26.276
  762    HE1  HIS  63          1HE       HIS  63   8.856   4.306 -25.055
  763    QB   HIS  63           QB       HIS  63   6.138   0.208 -24.470
  764    H    HIS  64           H        HIS  64   4.209   3.200 -22.266
  765    HA   HIS  64           HA       HIS  64   1.678   2.820 -23.676
  766   1HB   HIS  64          2HB       HIS  64   1.572   3.024 -21.168
  767   2HB   HIS  64          1HB       HIS  64   2.233   4.647 -21.328
  768    HD1  HIS  64          1HD       HIS  64   0.569   6.516 -21.898
  769    HD2  HIS  64          2HD       HIS  64  -1.050   2.701 -22.208
  770    HE1  HIS  64          1HE       HIS  64  -1.908   6.830 -22.198
  771    QB   HIS  64           QB       HIS  64   1.903   3.836 -21.248

  No H/Q in entry =         771
  Start of MODEL   21
    1    H1   MET   1          3HT       MET   1  11.755  -3.470   0.667
    2    H2   MET   1          2HT       MET   1  12.388  -4.451   1.913
    3    H3   MET   1          1HT       MET   1  13.223  -4.246   0.463
    4    HA   MET   1           HA       MET   1  12.217  -6.369   0.429
    5   1HB   MET   1          2HB       MET   1   9.655  -4.770   0.724
    6   2HB   MET   1          1HB       MET   1   9.702  -6.442   0.192
    7   1HG   MET   1          2HG       MET   1  10.692  -7.077   2.358
    8   2HG   MET   1          1HG       MET   1  10.578  -5.395   2.873
    9   1HE   MET   1          1HE       MET   1   9.259  -6.314   5.033
   10   2HE   MET   1          3HE       MET   1   7.772  -7.255   4.934
   11   3HE   MET   1          2HE       MET   1   9.298  -7.967   4.412
   12    QB   MET   1           QB       MET   1   9.678  -5.606   0.458
   13    QG   MET   1           QG       MET   1  10.635  -6.236   2.615
   14    ME   MET   1           QE       MET   1   8.777  -7.178   4.793
   15    H    ASN   2           H        ASN   2  10.947  -7.109  -1.530
   16    HA   ASN   2           HA       ASN   2  11.745  -5.506  -3.778
   17   1HB   ASN   2          2HB       ASN   2  10.323  -8.188  -3.585
   18   2HB   ASN   2          1HB       ASN   2  10.783  -7.437  -5.101
   19   1HD2  ASN   2          1HD2      ASN   2  12.118  -9.167  -5.650
   20   2HD2  ASN   2          2HD2      ASN   2  13.613  -9.465  -4.852
   21    QB   ASN   2           QB       ASN   2  10.553  -7.813  -4.343
   22    QD   ASN   2           QD2      ASN   2  12.866  -9.316  -5.251
   23    H    VAL   3           H        VAL   3  10.330  -4.478  -5.210
   24    HA   VAL   3           HA       VAL   3   7.993  -3.531  -3.919
   25    HB   VAL   3           HB       VAL   3   7.551  -2.169  -5.937
   26   1HG1  VAL   3          3HG1      VAL   3  10.367  -2.050  -4.873
   27   2HG1  VAL   3          2HG1      VAL   3   9.560  -0.743  -5.735
   28   3HG1  VAL   3          1HG1      VAL   3   8.946  -1.281  -4.171
   29   1HG2  VAL   3          2HG2      VAL   3   8.453  -3.687  -7.647
   30   2HG2  VAL   3          1HG2      VAL   3   9.194  -2.089  -7.754
   31   3HG2  VAL   3          3HG2      VAL   3  10.080  -3.420  -7.017
   32    MG1  VAL   3           QG1      VAL   3   9.624  -1.358  -4.926
   33    MG2  VAL   3           QG2      VAL   3   9.242  -3.065  -7.473
   34    QG   VAL   3           QQG      VAL   3   9.433  -2.212  -6.199
   35    H    THR   4           H        THR   4   8.554  -6.039  -6.137
   36    HA   THR   4           HA       THR   4   5.914  -6.291  -7.060
   37    HB   THR   4           HB       THR   4   7.778  -7.438  -8.197
   38    HG1  THR   4          1HG       THR   4   5.788  -8.343  -8.510
   39   1HG2  THR   4          3HG2      THR   4   9.116  -8.039  -6.249
   40   2HG2  THR   4          2HG2      THR   4   7.891  -9.213  -5.764
   41   3HG2  THR   4          1HG2      THR   4   8.800  -9.455  -7.258
   42    MG   THR   4           QG2      THR   4   8.602  -8.902  -6.424
   43    H    LYS   5           H        LYS   5   7.518  -7.525  -4.129
   44    HA   LYS   5           HA       LYS   5   5.159  -8.844  -3.318
   45   1HB   LYS   5          2HB       LYS   5   7.869  -8.587  -2.288
   46   2HB   LYS   5          1HB       LYS   5   6.636  -8.651  -1.029
   47   1HG   LYS   5          2HG       LYS   5   6.844 -10.615  -3.280
   48   2HG   LYS   5          1HG       LYS   5   7.549 -10.856  -1.675
   49   1HD   LYS   5          2HD       LYS   5   5.334 -10.652  -0.658
   50   2HD   LYS   5          1HD       LYS   5   4.611 -10.329  -2.219
   51   1HE   LYS   5          2HE       LYS   5   5.180 -12.551  -2.979
   52   2HE   LYS   5          1HE       LYS   5   5.993 -12.876  -1.444
   53   1HZ   LYS   5          2HZ       LYS   5   3.088 -12.207  -1.639
   54   2HZ   LYS   5          1HZ       LYS   5   3.710 -13.781  -1.579
   55   3HZ   LYS   5          3HZ       LYS   5   3.943 -12.733  -0.295
   56    QB   LYS   5           QB       LYS   5   7.252  -8.619  -1.659
   57    QD   LYS   5           QD       LYS   5   4.973 -10.490  -1.438
   58    QG   LYS   5           QG       LYS   5   7.196 -10.736  -2.478
   59    QE   LYS   5           QE       LYS   5   5.586 -12.713  -2.212
   60    QZ   LYS   5           QZ       LYS   5   3.580 -12.907  -1.171
   61    H    LEU   6           H        LEU   6   6.539  -5.733  -2.819
   62    HA   LEU   6           HA       LEU   6   4.831  -4.832  -0.771
   63   1HB   LEU   6          2HB       LEU   6   6.803  -3.561  -1.633
   64   2HB   LEU   6          1HB       LEU   6   5.924  -3.304  -3.127
   65    HG   LEU   6           HG       LEU   6   4.274  -1.928  -1.936
   66   1HD1  LEU   6          2HD1      LEU   6   6.058  -2.344   0.458
   67   2HD1  LEU   6          1HD1      LEU   6   4.712  -1.209   0.359
   68   3HD1  LEU   6          3HD1      LEU   6   4.411  -2.943   0.268
   69   1HD2  LEU   6          1HD2      LEU   6   6.209  -0.881  -2.990
   70   2HD2  LEU   6          3HD2      LEU   6   5.736  -0.014  -1.530
   71   3HD2  LEU   6          2HD2      LEU   6   7.135  -1.084  -1.503
   72    MD1  LEU   6           QD1      LEU   6   5.060  -2.165   0.362
   73    MD2  LEU   6           QD2      LEU   6   6.360  -0.660  -2.008
   74    QB   LEU   6           QB       LEU   6   6.364  -3.433  -2.380
   75    QD   LEU   6           QQD      LEU   6   5.710  -1.412  -0.823
   76    H    ASN   7           H        ASN   7   4.547  -4.916  -4.279
   77    HA   ASN   7           HA       ASN   7   2.011  -3.776  -4.509
   78   1HB   ASN   7          2HB       ASN   7   3.566  -4.064  -6.422
   79   2HB   ASN   7          1HB       ASN   7   3.307  -5.802  -6.346
   80   1HD2  ASN   7          1HD2      ASN   7   1.929  -2.744  -7.196
   81   2HD2  ASN   7          2HD2      ASN   7   0.597  -3.345  -8.104
   82    QB   ASN   7           QB       ASN   7   3.437  -4.933  -6.384
   83    QD   ASN   7           QD2      ASN   7   1.263  -3.044  -7.650
   84    H    ASP   8           H        ASP   8   3.042  -7.141  -4.108
   85    HA   ASP   8           HA       ASP   8   0.565  -8.424  -4.360
   86   1HB   ASP   8          2HB       ASP   8   2.678  -9.679  -4.261
   87   2HB   ASP   8          1HB       ASP   8   2.900  -9.174  -2.591
   88    QB   ASP   8           QB       ASP   8   2.789  -9.427  -3.426
   89    H    ARG   9           H        ARG   9   2.011  -6.881  -1.574
   90    HA   ARG   9           HA       ARG   9   0.051  -7.571   0.364
   91   1HB   ARG   9          2HB       ARG   9   1.773  -5.097   0.185
   92   2HB   ARG   9          1HB       ARG   9   0.878  -5.607   1.604
   93   1HG   ARG   9          2HG       ARG   9   2.268  -7.559   1.827
   94   2HG   ARG   9          1HG       ARG   9   3.114  -7.161   0.326
   95   1HD   ARG   9          2HD       ARG   9   4.413  -6.456   2.290
   96   2HD   ARG   9          1HD       ARG   9   3.907  -5.076   1.315
   97    HE   ARG   9           HE       ARG   9   2.088  -5.695   3.404
   98   1HH1  ARG   9          1HH1      ARG   9   5.146  -3.995   2.759
   99   2HH1  ARG   9          2HH1      ARG   9   4.944  -2.886   4.037
  100   1HH2  ARG   9          1HH2      ARG   9   1.842  -4.139   5.147
  101   2HH2  ARG   9          2HH2      ARG   9   3.041  -2.966   5.403
  102    QB   ARG   9           QB       ARG   9   1.325  -5.352   0.895
  103    QG   ARG   9           QG       ARG   9   2.691  -7.360   1.076
  104    QD   ARG   9           QD       ARG   9   4.160  -5.766   1.802
  105    QH1  ARG   9           QH1      ARG   9   5.045  -3.441   3.398
  106    QH2  ARG   9           QH2      ARG   9   2.441  -3.553   5.275
  107    H    ILE  10           H        ILE  10   0.495  -4.745  -1.664
  108    HA   ILE  10           HA       ILE  10  -1.752  -3.279  -0.849
  109    HB   ILE  10           HB       ILE  10  -0.236  -3.183  -3.469
  110   1HG1  ILE  10          2HG1      ILE  10   0.075  -1.554  -0.948
  111   2HG1  ILE  10          1HG1      ILE  10   1.139  -2.852  -1.454
  112   1HG2  ILE  10          1HG2      ILE  10  -2.416  -2.074  -3.671
  113   2HG2  ILE  10          3HG2      ILE  10  -2.078  -1.125  -2.225
  114   3HG2  ILE  10          2HG2      ILE  10  -1.115  -0.887  -3.681
  115   1HD1  ILE  10          2HD1      ILE  10   0.682  -0.288  -2.946
  116   2HD1  ILE  10          1HD1      ILE  10   2.089  -0.679  -1.953
  117   3HD1  ILE  10          3HD1      ILE  10   1.764  -1.596  -3.424
  118    MG   ILE  10           QG2      ILE  10  -1.870  -1.362  -3.192
  119    MD   ILE  10           QD1      ILE  10   1.512  -0.854  -2.775
  120    QG   ILE  10           QG1      ILE  10   0.607  -2.203  -1.201
  121    H    GLU  11           H        GLU  11  -1.238  -5.516  -3.533
  122    HA   GLU  11           HA       GLU  11  -3.614  -5.190  -4.922
  123   1HB   GLU  11          2HB       GLU  11  -1.574  -6.510  -5.610
  124   2HB   GLU  11          1HB       GLU  11  -2.164  -7.800  -4.578
  125   1HG   GLU  11          2HG       GLU  11  -2.821  -8.292  -6.822
  126   2HG   GLU  11          1HG       GLU  11  -4.249  -7.854  -5.889
  127    QB   GLU  11           QB       GLU  11  -1.869  -7.155  -5.094
  128    QG   GLU  11           QG       GLU  11  -3.535  -8.073  -6.355
  129    H    ALA  12           H        ALA  12  -2.867  -7.266  -2.176
  130    HA   ALA  12           HA       ALA  12  -5.337  -8.614  -2.084
  131   1HB   ALA  12          3HB       ALA  12  -3.310  -9.393  -0.939
  132   2HB   ALA  12          1HB       ALA  12  -4.673  -9.261   0.176
  133   3HB   ALA  12          2HB       ALA  12  -3.413  -8.022   0.163
  134    MB   ALA  12           QB       ALA  12  -3.799  -8.892  -0.200
  135    H    LYS  13           H        LYS  13  -4.238  -5.551  -0.789
  136    HA   LYS  13           HA       LYS  13  -6.547  -5.227   0.894
  137   1HB   LYS  13          2HB       LYS  13  -4.363  -3.288   0.119
  138   2HB   LYS  13          1HB       LYS  13  -5.660  -2.911   1.241
  139   1HG   LYS  13          2HG       LYS  13  -3.609  -5.088   1.619
  140   2HG   LYS  13          1HG       LYS  13  -3.568  -3.502   2.384
  141   1HD   LYS  13          2HD       LYS  13  -5.708  -3.987   3.498
  142   2HD   LYS  13          1HD       LYS  13  -5.742  -5.578   2.737
  143   1HE   LYS  13          2HE       LYS  13  -4.952  -5.723   5.037
  144   2HE   LYS  13          1HE       LYS  13  -3.688  -6.186   3.906
  145   1HZ   LYS  13          2HZ       LYS  13  -3.907  -3.527   5.237
  146   2HZ   LYS  13          1HZ       LYS  13  -2.839  -4.749   5.649
  147   3HZ   LYS  13          3HZ       LYS  13  -2.713  -3.988   4.159
  148    QB   LYS  13           QB       LYS  13  -5.012  -3.099   0.680
  149    QD   LYS  13           QD       LYS  13  -5.725  -4.783   3.118
  150    QG   LYS  13           QG       LYS  13  -3.588  -4.295   2.001
  151    QE   LYS  13           QE       LYS  13  -4.320  -5.954   4.471
  152    QZ   LYS  13           QZ       LYS  13  -3.153  -4.088   5.015
  153    H    LYS  14           H        LYS  14  -5.470  -4.048  -2.213
  154    HA   LYS  14           HA       LYS  14  -7.746  -2.388  -2.479
  155   1HB   LYS  14          2HB       LYS  14  -7.035  -2.102  -4.869
  156   2HB   LYS  14          1HB       LYS  14  -5.883  -1.592  -3.650
  157   1HG   LYS  14          2HG       LYS  14  -4.755  -3.804  -3.945
  158   2HG   LYS  14          1HG       LYS  14  -5.788  -4.060  -5.358
  159   1HD   LYS  14          2HD       LYS  14  -4.064  -1.632  -4.994
  160   2HD   LYS  14          1HD       LYS  14  -3.483  -3.099  -5.775
  161   1HE   LYS  14          2HE       LYS  14  -5.980  -1.679  -6.670
  162   2HE   LYS  14          1HE       LYS  14  -4.381  -1.248  -7.281
  163   1HZ   LYS  14          2HZ       LYS  14  -5.248  -4.093  -7.435
  164   2HZ   LYS  14          1HZ       LYS  14  -5.719  -2.954  -8.630
  165   3HZ   LYS  14          3HZ       LYS  14  -4.121  -3.238  -8.288
  166    QB   LYS  14           QB       LYS  14  -6.459  -1.847  -4.260
  167    QD   LYS  14           QD       LYS  14  -3.774  -2.365  -5.384
  168    QG   LYS  14           QG       LYS  14  -5.271  -3.932  -4.651
  169    QE   LYS  14           QE       LYS  14  -5.181  -1.464  -6.976
  170    QZ   LYS  14           QZ       LYS  14  -5.029  -3.428  -8.118
  171    H    LYS  15           H        LYS  15  -7.112  -5.719  -3.472
  172    HA   LYS  15           HA       LYS  15  -9.453  -5.848  -5.059
  173   1HB   LYS  15          2HB       LYS  15  -9.246  -8.261  -5.032
  174   2HB   LYS  15          1HB       LYS  15  -7.655  -7.567  -5.202
  175   1HG   LYS  15          2HG       LYS  15  -7.386  -9.369  -3.794
  176   2HG   LYS  15          1HG       LYS  15  -7.371  -7.977  -2.713
  177   1HD   LYS  15          2HD       LYS  15  -8.687  -9.687  -1.689
  178   2HD   LYS  15          1HD       LYS  15  -9.776  -8.426  -2.222
  179   1HE   LYS  15          2HE       LYS  15 -10.341  -9.739  -4.231
  180   2HE   LYS  15          1HE       LYS  15  -9.263 -11.020  -3.686
  181   1HZ   LYS  15          3HZ       LYS  15 -11.679 -10.066  -2.254
  182   2HZ   LYS  15          2HZ       LYS  15 -11.585 -11.453  -3.191
  183   3HZ   LYS  15          1HZ       LYS  15 -10.689 -11.340  -1.762
  184    QB   LYS  15           QB       LYS  15  -8.450  -7.914  -5.117
  185    QD   LYS  15           QD       LYS  15  -9.231  -9.057  -1.956
  186    QG   LYS  15           QG       LYS  15  -7.378  -8.673  -3.253
  187    QE   LYS  15           QE       LYS  15  -9.802 -10.379  -3.959
  188    QZ   LYS  15           QZ       LYS  15 -11.318 -10.953  -2.402
  189    H    GLU  16           H        GLU  16  -8.875  -6.074  -1.695
  190    HA   GLU  16           HA       GLU  16 -11.491  -6.882  -0.961
  191   1HB   GLU  16          2HB       GLU  16  -9.545  -7.211   0.488
  192   2HB   GLU  16          1HB       GLU  16  -9.321  -5.473   0.592
  193   1HG   GLU  16          2HG       GLU  16 -11.381  -5.232   1.800
  194   2HG   GLU  16          1HG       GLU  16 -11.740  -6.949   1.594
  195    QB   GLU  16           QB       GLU  16  -9.433  -6.342   0.540
  196    QG   GLU  16           QG       GLU  16 -11.561  -6.090   1.697
  197    H    LEU  17           H        LEU  17  -9.759  -3.810  -1.101
  198    HA   LEU  17           HA       LEU  17 -11.753  -2.121  -0.224
  199   1HB   LEU  17          2HB       LEU  17  -9.422  -1.438  -0.544
  200   2HB   LEU  17          1HB       LEU  17  -9.630  -1.563  -2.277
  201    HG   LEU  17           HG       LEU  17 -11.257   0.283  -2.220
  202   1HD1  LEU  17          3HD1      LEU  17 -10.546   0.410   0.699
  203   2HD1  LEU  17          2HD1      LEU  17 -11.469   1.636  -0.168
  204   3HD1  LEU  17          1HD1      LEU  17 -12.122   0.007   0.033
  205   1HD2  LEU  17          1HD2      LEU  17  -8.906   0.736  -2.655
  206   2HD2  LEU  17          3HD2      LEU  17  -9.657   2.057  -1.760
  207   3HD2  LEU  17          2HD2      LEU  17  -8.608   0.908  -0.923
  208    MD1  LEU  17           QD1      LEU  17 -11.379   0.684   0.188
  209    MD2  LEU  17           QD2      LEU  17  -9.057   1.234  -1.779
  210    QB   LEU  17           QB       LEU  17  -9.526  -1.501  -1.410
  211    QD   LEU  17           QQD      LEU  17 -10.218   0.959  -0.796
  212    H    ILE  18           H        ILE  18 -11.089  -3.181  -3.566
  213    HA   ILE  18           HA       ILE  18 -13.124  -1.658  -4.768
  214    HB   ILE  18           HB       ILE  18 -12.099  -4.375  -5.698
  215   1HG1  ILE  18          2HG1      ILE  18 -11.232  -1.602  -6.562
  216   2HG1  ILE  18          1HG1      ILE  18 -10.333  -2.614  -5.439
  217   1HG2  ILE  18          3HG2      ILE  18 -13.551  -2.191  -7.211
  218   2HG2  ILE  18          2HG2      ILE  18 -12.896  -3.658  -7.929
  219   3HG2  ILE  18          1HG2      ILE  18 -14.224  -3.760  -6.766
  220   1HD1  ILE  18          1HD1      ILE  18 -10.027  -4.278  -7.212
  221   2HD1  ILE  18          3HD1      ILE  18 -10.930  -3.244  -8.319
  222   3HD1  ILE  18          2HD1      ILE  18  -9.383  -2.699  -7.670
  223    MG   ILE  18           QG2      ILE  18 -13.557  -3.203  -7.302
  224    MD   ILE  18           QD1      ILE  18 -10.113  -3.407  -7.734
  225    QG   ILE  18           QG1      ILE  18 -10.782  -2.108  -6.000
  226    H    TYR  19           H        TYR  19 -13.181  -4.890  -3.346
  227    HA   TYR  19           HA       TYR  19 -15.875  -5.518  -3.932
  228   1HB   TYR  19          2HB       TYR  19 -14.283  -7.236  -3.166
  229   2HB   TYR  19          1HB       TYR  19 -14.129  -6.425  -1.616
  230    HD1  TYR  19          1HD       TYR  19 -16.350  -8.448  -3.743
  231    HD2  TYR  19          2HD       TYR  19 -15.799  -6.727   0.105
  232    HE1  TYR  19          1HE       TYR  19 -18.210  -9.802  -2.877
  233    HE2  TYR  19          2HE       TYR  19 -17.656  -8.079   0.979
  234    HH   TYR  19           HH       TYR  19 -18.974 -10.681  -0.655
  235    QB   TYR  19           QB       TYR  19 -14.206  -6.831  -2.391
  236    QD   TYR  19           QD       TYR  19 -16.074  -7.587  -1.819
  237    QE   TYR  19           QE       TYR  19 -17.933  -8.941  -0.949
  238    QR   TYR  19           QR       TYR  19 -17.003  -8.264  -1.384
  239    H    LEU  20           H        LEU  20 -14.355  -3.821  -1.262
  240    HA   LEU  20           HA       LEU  20 -16.696  -3.455   0.265
  241   1HB   LEU  20          2HB       LEU  20 -14.220  -1.727   0.228
  242   2HB   LEU  20          1HB       LEU  20 -15.460  -1.733   1.467
  243    HG   LEU  20           HG       LEU  20 -13.526  -3.969   0.861
  244   1HD1  LEU  20          1HD1      LEU  20 -12.508  -2.102   1.984
  245   2HD1  LEU  20          3HD1      LEU  20 -13.773  -2.141   3.214
  246   3HD1  LEU  20          2HD1      LEU  20 -12.648  -3.490   3.064
  247   1HD2  LEU  20          2HD2      LEU  20 -15.683  -3.807   2.963
  248   2HD2  LEU  20          1HD2      LEU  20 -15.672  -4.887   1.569
  249   3HD2  LEU  20          3HD2      LEU  20 -14.463  -5.073   2.841
  250    MD1  LEU  20           QD1      LEU  20 -12.976  -2.578   2.754
  251    MD2  LEU  20           QD2      LEU  20 -15.272  -4.589   2.458
  252    QB   LEU  20           QB       LEU  20 -14.840  -1.730   0.847
  253    QD   LEU  20           QQD      LEU  20 -14.124  -3.583   2.606
  254    H    VAL  21           H        VAL  21 -15.217  -1.586  -2.315
  255    HA   VAL  21           HA       VAL  21 -16.961   0.637  -2.130
  256    HB   VAL  21           HB       VAL  21 -15.449  -0.384  -4.567
  257   1HG1  VAL  21          2HG1      VAL  21 -17.280   1.122  -5.203
  258   2HG1  VAL  21          1HG1      VAL  21 -16.686   2.323  -4.055
  259   3HG1  VAL  21          3HG1      VAL  21 -15.711   1.891  -5.461
  260   1HG2  VAL  21          2HG2      VAL  21 -13.979   0.176  -2.709
  261   2HG2  VAL  21          1HG2      VAL  21 -13.818   1.357  -4.009
  262   3HG2  VAL  21          3HG2      VAL  21 -14.754   1.757  -2.570
  263    MG1  VAL  21           QG1      VAL  21 -16.559   1.779  -4.906
  264    MG2  VAL  21           QG2      VAL  21 -14.184   1.097  -3.096
  265    QG   VAL  21           QQG      VAL  21 -15.371   1.438  -4.001
  266    H    GLU  22           H        GLU  22 -17.150  -2.407  -3.847
  267    HA   GLU  22           HA       GLU  22 -19.506  -1.808  -5.290
  268   1HB   GLU  22          2HB       GLU  22 -18.516  -4.508  -4.360
  269   2HB   GLU  22          1HB       GLU  22 -19.716  -4.229  -5.614
  270   1HG   GLU  22          2HG       GLU  22 -18.035  -3.119  -6.985
  271   2HG   GLU  22          1HG       GLU  22 -16.835  -3.379  -5.722
  272    QB   GLU  22           QB       GLU  22 -19.116  -4.368  -4.987
  273    QG   GLU  22           QG       GLU  22 -17.435  -3.249  -6.354
  274    H    LYS  23           H        LYS  23 -18.987  -3.525  -2.240
  275    HA   LYS  23           HA       LYS  23 -21.830  -3.874  -1.858
  276   1HB   LYS  23          2HB       LYS  23 -19.578  -4.598   0.009
  277   2HB   LYS  23          1HB       LYS  23 -21.252  -5.120   0.151
  278   1HG   LYS  23          2HG       LYS  23 -19.356  -5.821  -2.083
  279   2HG   LYS  23          1HG       LYS  23 -19.883  -6.887  -0.782
  280   1HD   LYS  23          2HD       LYS  23 -22.168  -6.811  -1.602
  281   2HD   LYS  23          1HD       LYS  23 -21.721  -5.627  -2.826
  282   1HE   LYS  23          2HE       LYS  23 -20.212  -7.261  -3.843
  283   2HE   LYS  23          1HE       LYS  23 -20.698  -8.454  -2.639
  284   1HZ   LYS  23          1HZ       LYS  23 -22.548  -7.148  -4.555
  285   2HZ   LYS  23          3HZ       LYS  23 -21.885  -8.674  -4.770
  286   3HZ   LYS  23          2HZ       LYS  23 -22.928  -8.403  -3.491
  287    QB   LYS  23           QB       LYS  23 -20.415  -4.859   0.080
  288    QD   LYS  23           QD       LYS  23 -21.944  -6.219  -2.214
  289    QG   LYS  23           QG       LYS  23 -19.619  -6.354  -1.432
  290    QE   LYS  23           QE       LYS  23 -20.455  -7.858  -3.241
  291    QZ   LYS  23           QZ       LYS  23 -22.454  -8.075  -4.272
  292    H    TYR  24           H        TYR  24 -19.335  -1.972  -0.163
  293    HA   TYR  24           HA       TYR  24 -21.455  -0.891   1.534
  294   1HB   TYR  24          2HB       TYR  24 -18.452  -0.628   1.779
  295   2HB   TYR  24          1HB       TYR  24 -19.622   0.040   2.907
  296    HD1  TYR  24          1HD       TYR  24 -17.681  -2.815   2.012
  297    HD2  TYR  24          2HD       TYR  24 -21.133  -1.594   4.162
  298    HE1  TYR  24          1HE       TYR  24 -17.625  -4.916   3.268
  299    HE2  TYR  24          2HE       TYR  24 -21.091  -3.704   5.436
  300    HH   TYR  24           HH       TYR  24 -20.226  -5.959   5.156
  301    QB   TYR  24           QB       TYR  24 -19.037  -0.294   2.343
  302    QD   TYR  24           QD       TYR  24 -19.407  -2.205   3.087
  303    QE   TYR  24           QE       TYR  24 -19.358  -4.310   4.352
  304    QR   TYR  24           QR       TYR  24 -19.383  -3.257   3.719
  305    H    GLY  25           H        GLY  25 -18.984   0.074  -0.736
  306   1HA   GLY  25          1HA       GLY  25 -20.594   2.308  -1.559
  307   2HA   GLY  25          2HA       GLY  25 -19.071   1.811  -2.267
  308    QA   GLY  25           QA       GLY  25 -19.833   2.059  -1.913
  309    H    PHE  26           H        PHE  26 -18.547   4.046  -2.421
  310    HA   PHE  26           HA       PHE  26 -17.154   4.948  -0.154
  311   1HB   PHE  26          2HB       PHE  26 -17.561   6.151  -2.864
  312   2HB   PHE  26          1HB       PHE  26 -16.897   7.126  -1.567
  313    HD1  PHE  26          1HD       PHE  26 -16.209   4.704  -4.084
  314    HD2  PHE  26          2HD       PHE  26 -14.812   6.312  -0.422
  315    HE1  PHE  26          1HE       PHE  26 -13.963   3.826  -4.561
  316    HE2  PHE  26          2HE       PHE  26 -12.568   5.443  -0.878
  317    HZ   PHE  26           HZ       PHE  26 -12.139   4.194  -2.955
  318    QB   PHE  26           QB       PHE  26 -17.229   6.639  -2.216
  319    QD   PHE  26           QD       PHE  26 -15.510   5.508  -2.253
  320    QE   PHE  26           QE       PHE  26 -13.265   4.635  -2.720
  321    QR   PHE  26           QR       PHE  26 -13.938   4.896  -2.580
  322    H    THR  27           H        THR  27 -18.586   5.168   1.354
  323    HA   THR  27           HA       THR  27 -19.682   7.685   1.816
  324    HB   THR  27           HB       THR  27 -21.570   6.769   0.384
  325    HG1  THR  27          1HG       THR  27 -21.923   8.250   2.091
  326   1HG2  THR  27          2HG2      THR  27 -21.410   4.386   0.986
  327   2HG2  THR  27          1HG2      THR  27 -21.915   4.762   2.632
  328   3HG2  THR  27          3HG2      THR  27 -23.036   4.994   1.289
  329    MG   THR  27           QG2      THR  27 -22.120   4.714   1.635
  330    H    HIS  28           H        HIS  28 -19.289   4.316   2.500
  331    HA   HIS  28           HA       HIS  28 -19.465   4.520   5.323
  332   1HB   HIS  28          2HB       HIS  28 -18.354   2.527   3.380
  333   2HB   HIS  28          1HB       HIS  28 -17.958   2.391   5.088
  334    HD1  HIS  28          1HD       HIS  28 -20.985   2.205   2.745
  335    HD2  HIS  28          2HD       HIS  28 -19.802   1.305   6.624
  336    HE1  HIS  28          1HE       HIS  28 -22.877   0.937   3.754
  337    QB   HIS  28           QB       HIS  28 -18.156   2.459   4.234
  338    H    HIS  29           H        HIS  29 -17.958   5.201   6.697
  339    HA   HIS  29           HA       HIS  29 -15.730   6.648   5.770
  340   1HB   HIS  29          2HB       HIS  29 -16.823   7.141   7.946
  341   2HB   HIS  29          1HB       HIS  29 -16.272   5.593   8.570
  342    HD1  HIS  29          1HD       HIS  29 -15.019   9.080   7.809
  343    HD2  HIS  29          2HD       HIS  29 -13.590   5.479   9.312
  344    HE1  HIS  29          1HE       HIS  29 -12.780   9.583   8.817
  345    QB   HIS  29           QB       HIS  29 -16.547   6.367   8.258
  346    H    LYS  30           H        LYS  30 -16.168   3.387   6.863
  347    HA   LYS  30           HA       LYS  30 -13.599   2.412   7.114
  348   1HB   LYS  30          2HB       LYS  30 -16.055   1.151   5.909
  349   2HB   LYS  30          1HB       LYS  30 -14.554   0.263   6.117
  350   1HG   LYS  30          2HG       LYS  30 -16.090   1.580   8.344
  351   2HG   LYS  30          1HG       LYS  30 -16.226  -0.118   7.907
  352   1HD   LYS  30          2HD       LYS  30 -13.824  -0.424   8.332
  353   2HD   LYS  30          1HD       LYS  30 -13.679   1.271   8.777
  354   1HE   LYS  30          2HE       LYS  30 -15.366  -0.784  10.200
  355   2HE   LYS  30          1HE       LYS  30 -13.800  -0.191  10.726
  356   1HZ   LYS  30          1HZ       LYS  30 -14.756   2.032  10.910
  357   2HZ   LYS  30          3HZ       LYS  30 -16.275   1.426  10.476
  358   3HZ   LYS  30          2HZ       LYS  30 -15.535   0.917  11.886
  359    QB   LYS  30           QB       LYS  30 -15.305   0.707   6.013
  360    QD   LYS  30           QD       LYS  30 -13.752   0.424   8.554
  361    QG   LYS  30           QG       LYS  30 -16.158   0.731   8.126
  362    QE   LYS  30           QE       LYS  30 -14.583  -0.488  10.463
  363    QZ   LYS  30           QZ       LYS  30 -15.522   1.458  11.091
  364    H    VAL  31           H        VAL  31 -15.498   2.440   4.136
  365    HA   VAL  31           HA       VAL  31 -13.497   1.512   2.415
  366    HB   VAL  31           HB       VAL  31 -15.871   3.275   1.739
  367   1HG1  VAL  31          1HG1      VAL  31 -14.257   3.183  -0.077
  368   2HG1  VAL  31          3HG1      VAL  31 -14.265   1.420  -0.013
  369   3HG1  VAL  31          2HG1      VAL  31 -15.721   2.289  -0.495
  370   1HG2  VAL  31          2HG2      VAL  31 -15.638   0.273   1.818
  371   2HG2  VAL  31          1HG2      VAL  31 -16.569   1.269   2.928
  372   3HG2  VAL  31          3HG2      VAL  31 -17.035   1.173   1.229
  373    MG1  VAL  31           QG1      VAL  31 -14.748   2.297  -0.195
  374    MG2  VAL  31           QG2      VAL  31 -16.414   0.905   1.992
  375    QG   VAL  31           QQG      VAL  31 -15.581   1.601   0.898
  376    H    ILE  32           H        ILE  32 -14.466   4.786   3.276
  377    HA   ILE  32           HA       ILE  32 -12.737   6.104   1.464
  378    HB   ILE  32           HB       ILE  32 -13.904   7.146   4.071
  379   1HG1  ILE  32          2HG1      ILE  32 -14.937   7.438   1.241
  380   2HG1  ILE  32          1HG1      ILE  32 -15.583   6.296   2.412
  381   1HG2  ILE  32          3HG2      ILE  32 -12.779   8.610   1.676
  382   2HG2  ILE  32          2HG2      ILE  32 -13.578   9.380   3.046
  383   3HG2  ILE  32          1HG2      ILE  32 -12.046   8.531   3.280
  384   1HD1  ILE  32          3HD1      ILE  32 -16.257   8.174   3.830
  385   2HD1  ILE  32          2HD1      ILE  32 -15.603   9.290   2.631
  386   3HD1  ILE  32          1HD1      ILE  32 -16.977   8.262   2.222
  387    MG   ILE  32           QG2      ILE  32 -12.801   8.840   2.667
  388    MD   ILE  32           QD1      ILE  32 -16.279   8.575   2.894
  389    QG   ILE  32           QG1      ILE  32 -15.260   6.867   1.826
  390    H    SER  33           H        SER  33 -12.374   5.140   4.847
  391    HA   SER  33           HA       SER  33  -9.854   6.325   5.249
  392   1HB   SER  33          2HB       SER  33 -11.439   5.615   7.060
  393   2HB   SER  33          1HB       SER  33 -11.058   3.940   6.681
  394    HG   SER  33           HG       SER  33  -8.790   5.354   7.065
  395    QB   SER  33           QB       SER  33 -11.248   4.778   6.871
  396    H    PHE  34           H        PHE  34 -10.843   3.033   4.261
  397    HA   PHE  34           HA       PHE  34  -8.206   2.013   4.129
  398   1HB   PHE  34          2HB       PHE  34 -10.653   1.112   2.613
  399   2HB   PHE  34          1HB       PHE  34  -9.137   0.226   2.667
  400    HD1  PHE  34          1HD       PHE  34 -12.165  -0.281   3.559
  401    HD2  PHE  34          2HD       PHE  34  -8.504   0.461   5.579
  402    HE1  PHE  34          1HE       PHE  34 -13.015  -1.471   5.498
  403    HE2  PHE  34          2HE       PHE  34  -9.348  -0.737   7.553
  404    HZ   PHE  34           HZ       PHE  34 -11.610  -1.709   7.521
  405    QB   PHE  34           QB       PHE  34  -9.895   0.669   2.640
  406    QD   PHE  34           QD       PHE  34 -10.335   0.090   4.569
  407    QE   PHE  34           QE       PHE  34 -11.182  -1.104   6.525
  408    QR   PHE  34           QR       PHE  34 -10.928  -0.747   5.942
  409    H    SER  35           H        SER  35 -10.178   3.770   1.844
  410    HA   SER  35           HA       SER  35  -8.492   3.344  -0.379
  411   1HB   SER  35          2HB       SER  35 -10.885   4.177  -0.466
  412   2HB   SER  35          1HB       SER  35 -10.296   5.738   0.089
  413    HG   SER  35           HG       SER  35  -9.048   5.891  -1.800
  414    QB   SER  35           QB       SER  35 -10.590   4.957  -0.188
  415    H    GLN  36           H        GLN  36  -8.641   5.927   2.058
  416    HA   GLN  36           HA       GLN  36  -6.502   7.469   1.023
  417   1HB   GLN  36          2HB       GLN  36  -7.557   7.236   3.848
  418   2HB   GLN  36          1HB       GLN  36  -6.395   8.443   3.328
  419   1HG   GLN  36          2HG       GLN  36  -8.034   9.368   1.786
  420   2HG   GLN  36          1HG       GLN  36  -9.192   8.131   2.269
  421   1HE2  GLN  36          1HE2      GLN  36 -10.172   8.278   4.243
  422   2HE2  GLN  36          2HE2      GLN  36 -10.163   9.716   5.198
  423    QB   GLN  36           QB       GLN  36  -6.976   7.840   3.588
  424    QG   GLN  36           QG       GLN  36  -8.613   8.749   2.028
  425    QE   GLN  36           QE2      GLN  36 -10.167   8.997   4.721
  426    H    GLU  37           H        GLU  37  -6.648   4.725   3.168
  427    HA   GLU  37           HA       GLU  37  -3.945   4.743   3.982
  428   1HB   GLU  37          2HB       GLU  37  -5.805   3.547   5.131
  429   2HB   GLU  37          1HB       GLU  37  -5.892   2.441   3.771
  430   1HG   GLU  37          2HG       GLU  37  -4.709   1.494   5.674
  431   2HG   GLU  37          1HG       GLU  37  -3.679   1.633   4.248
  432    QB   GLU  37           QB       GLU  37  -5.848   2.994   4.451
  433    QG   GLU  37           QG       GLU  37  -4.194   1.564   4.961
  434    H    LEU  38           H        LEU  38  -5.746   3.087   1.446
  435    HA   LEU  38           HA       LEU  38  -3.655   1.635   0.308
  436   1HB   LEU  38          2HB       LEU  38  -6.232   1.505  -0.054
  437   2HB   LEU  38          1HB       LEU  38  -5.996   2.761  -1.238
  438    HG   LEU  38           HG       LEU  38  -6.248   0.531  -2.238
  439   1HD1  LEU  38          1HD1      LEU  38  -3.504   1.674  -2.677
  440   2HD1  LEU  38          3HD1      LEU  38  -4.313   0.516  -3.733
  441   3HD1  LEU  38          2HD1      LEU  38  -4.986   2.132  -3.517
  442   1HD2  LEU  38          3HD2      LEU  38  -5.286  -0.796  -0.449
  443   2HD2  LEU  38          2HD2      LEU  38  -4.512  -1.171  -1.986
  444   3HD2  LEU  38          1HD2      LEU  38  -3.684  -0.156  -0.810
  445    MD1  LEU  38           QD1      LEU  38  -4.268   1.441  -3.309
  446    MD2  LEU  38           QD2      LEU  38  -4.494  -0.708  -1.082
  447    QB   LEU  38           QB       LEU  38  -6.114   2.133  -0.646
  448    QD   LEU  38           QQD      LEU  38  -4.381   0.367  -2.195
  449    H    ASP  39           H        ASP  39  -4.821   4.937  -0.240
  450    HA   ASP  39           HA       ASP  39  -3.183   5.639  -2.381
  451   1HB   ASP  39          2HB       ASP  39  -4.266   7.336  -0.137
  452   2HB   ASP  39          1HB       ASP  39  -3.221   8.020  -1.371
  453    QB   ASP  39           QB       ASP  39  -3.744   7.678  -0.754
  454    H    ARG  40           H        ARG  40  -2.456   5.711   1.063
  455    HA   ARG  40           HA       ARG  40   0.133   6.758   0.591
  456   1HB   ARG  40          2HB       ARG  40  -0.942   7.090   2.772
  457   2HB   ARG  40          1HB       ARG  40  -0.898   5.357   3.069
  458   1HG   ARG  40          2HG       ARG  40   0.881   6.516   4.293
  459   2HG   ARG  40          1HG       ARG  40   1.537   5.403   3.097
  460   1HD   ARG  40          2HD       ARG  40   1.879   7.319   1.549
  461   2HD   ARG  40          1HD       ARG  40   1.309   8.409   2.814
  462    HE   ARG  40           HE       ARG  40   3.250   7.187   4.088
  463   1HH1  ARG  40          1HH1      ARG  40   3.287   8.569   0.847
  464   2HH1  ARG  40          2HH1      ARG  40   4.987   8.769   0.778
  465   1HH2  ARG  40          1HH2      ARG  40   5.520   7.489   4.046
  466   2HH2  ARG  40          2HH2      ARG  40   6.314   8.159   2.678
  467    QB   ARG  40           QB       ARG  40  -0.920   6.223   2.921
  468    QG   ARG  40           QG       ARG  40   1.209   5.959   3.695
  469    QD   ARG  40           QD       ARG  40   1.594   7.864   2.181
  470    QH1  ARG  40           QH1      ARG  40   4.137   8.669   0.813
  471    QH2  ARG  40           QH2      ARG  40   5.917   7.824   3.362
  472    H    LEU  41           H        LEU  41  -1.117   3.486   0.958
  473    HA   LEU  41           HA       LEU  41   1.373   2.161   0.885
  474   1HB   LEU  41          2HB       LEU  41  -1.408   1.324   0.260
  475   2HB   LEU  41          1HB       LEU  41  -0.101   0.313  -0.320
  476    HG   LEU  41           HG       LEU  41   0.684   0.022   2.005
  477   1HD1  LEU  41          3HD1      LEU  41  -0.118   2.071   2.982
  478   2HD1  LEU  41          2HD1      LEU  41  -1.787   1.540   2.771
  479   3HD1  LEU  41          1HD1      LEU  41  -0.713   0.672   3.871
  480   1HD2  LEU  41          1HD2      LEU  41  -2.196  -0.710   1.524
  481   2HD2  LEU  41          3HD2      LEU  41  -0.771  -1.644   1.053
  482   3HD2  LEU  41          2HD2      LEU  41  -1.152  -1.408   2.758
  483    MD1  LEU  41           QD1      LEU  41  -0.872   1.428   3.208
  484    MD2  LEU  41           QD2      LEU  41  -1.373  -1.254   1.778
  485    QB   LEU  41           QB       LEU  41  -0.755   0.819  -0.030
  486    QD   LEU  41           QQD      LEU  41  -1.123   0.087   2.493
  487    H    LEU  42           H        LEU  42  -0.736   3.227  -1.697
  488    HA   LEU  42           HA       LEU  42   0.728   2.206  -3.872
  489   1HB   LEU  42          2HB       LEU  42  -1.590   3.088  -3.969
  490   2HB   LEU  42          1HB       LEU  42  -0.965   4.700  -3.714
  491    HG   LEU  42           HG       LEU  42   0.236   4.547  -5.872
  492   1HD1  LEU  42          2HD1      LEU  42  -1.249   1.941  -6.126
  493   2HD1  LEU  42          1HD1      LEU  42  -0.374   2.749  -7.429
  494   3HD1  LEU  42          3HD1      LEU  42   0.500   2.150  -6.020
  495   1HD2  LEU  42          3HD2      LEU  42  -2.734   4.049  -5.985
  496   2HD2  LEU  42          2HD2      LEU  42  -1.947   5.605  -5.729
  497   3HD2  LEU  42          1HD2      LEU  42  -1.763   4.765  -7.273
  498    MD1  LEU  42           QD1      LEU  42  -0.374   2.280  -6.525
  499    MD2  LEU  42           QD2      LEU  42  -2.148   4.807  -6.329
  500    QB   LEU  42           QB       LEU  42  -1.278   3.894  -3.842
  501    QD   LEU  42           QQD      LEU  42  -1.261   3.543  -6.427
  502    H    ASN  43           H        ASN  43   1.061   5.006  -1.909
  503    HA   ASN  43           HA       ASN  43   3.026   6.341  -3.498
  504   1HB   ASN  43          2HB       ASN  43   1.801   6.817  -0.856
  505   2HB   ASN  43          1HB       ASN  43   3.400   7.502  -1.121
  506   1HD2  ASN  43          1HD2      ASN  43   0.072   7.511  -2.168
  507   2HD2  ASN  43          2HD2      ASN  43   0.160   8.996  -3.035
  508    QB   ASN  43           QB       ASN  43   2.600   7.159  -0.989
  509    QD   ASN  43           QD2      ASN  43   0.116   8.253  -2.601
  510    H    LEU  44           H        LEU  44   3.176   3.737  -1.287
  511    HA   LEU  44           HA       LEU  44   5.785   4.172  -0.317
  512   1HB   LEU  44          2HB       LEU  44   4.270   1.591  -0.681
  513   2HB   LEU  44          1HB       LEU  44   5.799   1.714   0.164
  514    HG   LEU  44           HG       LEU  44   3.210   3.033   0.996
  515   1HD1  LEU  44          3HD1      LEU  44   3.186   0.610   1.307
  516   2HD1  LEU  44          2HD1      LEU  44   4.709   0.705   2.193
  517   3HD1  LEU  44          1HD1      LEU  44   3.255   1.447   2.857
  518   1HD2  LEU  44          2HD2      LEU  44   5.904   2.966   2.360
  519   2HD2  LEU  44          1HD2      LEU  44   5.119   4.380   1.660
  520   3HD2  LEU  44          3HD2      LEU  44   4.417   3.595   3.070
  521    MD1  LEU  44           QD1      LEU  44   3.717   0.921   2.119
  522    MD2  LEU  44           QD2      LEU  44   5.147   3.647   2.364
  523    QB   LEU  44           QB       LEU  44   5.034   1.652  -0.259
  524    QD   LEU  44           QQD      LEU  44   4.432   2.284   2.241
  525    H    LEU  45           H        LEU  45   4.590   2.800  -3.256
  526    HA   LEU  45           HA       LEU  45   7.030   1.713  -4.192
  527   1HB   LEU  45          2HB       LEU  45   4.702   2.855  -5.755
  528   2HB   LEU  45          1HB       LEU  45   6.068   2.075  -6.505
  529    HG   LEU  45           HG       LEU  45   5.442  -0.036  -5.283
  530   1HD1  LEU  45          3HD1      LEU  45   2.924   1.479  -4.647
  531   2HD1  LEU  45          2HD1      LEU  45   3.181  -0.250  -4.419
  532   3HD1  LEU  45          1HD1      LEU  45   4.125   0.911  -3.487
  533   1HD2  LEU  45          2HD2      LEU  45   4.871   0.322  -7.616
  534   2HD2  LEU  45          1HD2      LEU  45   3.613  -0.596  -6.782
  535   3HD2  LEU  45          3HD2      LEU  45   3.372   1.113  -7.136
  536    MD1  LEU  45           QD1      LEU  45   3.410   0.713  -4.184
  537    MD2  LEU  45           QD2      LEU  45   3.952   0.280  -7.178
  538    QB   LEU  45           QB       LEU  45   5.385   2.465  -6.130
  539    QD   LEU  45           QQD      LEU  45   3.681   0.496  -5.681
  540    H    ILE  46           H        ILE  46   5.633   4.885  -4.300
  541    HA   ILE  46           HA       ILE  46   7.603   6.166  -5.896
  542    HB   ILE  46           HB       ILE  46   5.617   7.238  -3.885
  543   1HG1  ILE  46          2HG1      ILE  46   5.532   7.212  -6.906
  544   2HG1  ILE  46          1HG1      ILE  46   4.641   6.119  -5.854
  545   1HG2  ILE  46          2HG2      ILE  46   7.313   8.776  -5.843
  546   2HG2  ILE  46          1HG2      ILE  46   5.984   9.449  -4.882
  547   3HG2  ILE  46          3HG2      ILE  46   7.408   8.789  -4.074
  548   1HD1  ILE  46          1HD1      ILE  46   3.408   8.022  -4.939
  549   2HD1  ILE  46          3HD1      ILE  46   4.292   9.102  -6.016
  550   3HD1  ILE  46          2HD1      ILE  46   3.210   7.879  -6.683
  551    MG   ILE  46           QG2      ILE  46   6.902   9.005  -4.933
  552    MD   ILE  46           QD1      ILE  46   3.637   8.334  -5.879
  553    QG   ILE  46           QG1      ILE  46   5.086   6.665  -6.380
  554    H    GLU  47           H        GLU  47   7.085   5.774  -2.442
  555    HA   GLU  47           HA       GLU  47   9.225   7.275  -1.458
  556   1HB   GLU  47          2HB       GLU  47   8.116   4.694  -0.383
  557   2HB   GLU  47          1HB       GLU  47   9.095   5.851   0.519
  558   1HG   GLU  47          2HG       GLU  47   6.350   6.393  -0.596
  559   2HG   GLU  47          1HG       GLU  47   6.683   5.910   1.059
  560    QB   GLU  47           QB       GLU  47   8.606   5.273   0.068
  561    QG   GLU  47           QG       GLU  47   6.517   6.152   0.231
  562    H    LEU  48           H        LEU  48   9.052   3.821  -2.346
  563    HA   LEU  48           HA       LEU  48  11.754   3.244  -1.916
  564   1HB   LEU  48          2HB       LEU  48   9.588   1.891  -3.426
  565   2HB   LEU  48          1HB       LEU  48  11.230   1.422  -3.807
  566    HG   LEU  48           HG       LEU  48  10.247  -0.123  -2.217
  567   1HD1  LEU  48          3HD1      LEU  48  12.630   0.290  -2.076
  568   2HD1  LEU  48          2HD1      LEU  48  12.350   1.577  -0.904
  569   3HD1  LEU  48          1HD1      LEU  48  11.951  -0.084  -0.494
  570   1HD2  LEU  48          2HD2      LEU  48   8.624   1.359  -1.135
  571   2HD2  LEU  48          1HD2      LEU  48   9.642   0.553   0.059
  572   3HD2  LEU  48          3HD2      LEU  48   9.940   2.242  -0.360
  573    MD1  LEU  48           QD1      LEU  48  12.310   0.594  -1.158
  574    MD2  LEU  48           QD2      LEU  48   9.402   1.385  -0.479
  575    QB   LEU  48           QB       LEU  48  10.409   1.657  -3.616
  576    QD   LEU  48           QQD      LEU  48  10.856   0.989  -0.818
  577    H    LYS  49           H        LYS  49  10.182   4.557  -4.757
  578    HA   LYS  49           HA       LYS  49  12.434   4.441  -6.492
  579   1HB   LYS  49          2HB       LYS  49  10.134   6.399  -6.452
  580   2HB   LYS  49          1HB       LYS  49  11.331   6.294  -7.728
  581   1HG   LYS  49          2HG       LYS  49  10.553   4.020  -8.253
  582   2HG   LYS  49          1HG       LYS  49   9.373   4.142  -6.946
  583   1HD   LYS  49          2HD       LYS  49   8.277   4.617  -9.058
  584   2HD   LYS  49          1HD       LYS  49   8.347   6.086  -8.090
  585   1HE   LYS  49          2HE       LYS  49  10.395   6.745  -9.398
  586   2HE   LYS  49          1HE       LYS  49  10.114   5.340 -10.417
  587   1HZ   LYS  49          3HZ       LYS  49   7.957   6.276 -11.010
  588   2HZ   LYS  49          2HZ       LYS  49   8.275   7.620 -10.037
  589   3HZ   LYS  49          1HZ       LYS  49   9.227   7.320 -11.395
  590    QB   LYS  49           QB       LYS  49  10.733   6.346  -7.090
  591    QD   LYS  49           QD       LYS  49   8.312   5.352  -8.574
  592    QG   LYS  49           QG       LYS  49   9.963   4.081  -7.599
  593    QE   LYS  49           QE       LYS  49  10.255   6.043  -9.907
  594    QZ   LYS  49           QZ       LYS  49   8.486   7.072 -10.814
  595    H    THR  50           H        THR  50  11.391   6.645  -4.051
  596    HA   THR  50           HA       THR  50  13.246   8.719  -4.672
  597    HB   THR  50           HB       THR  50  11.665   8.255  -2.124
  598    HG1  THR  50          1HG       THR  50  10.200   8.416  -3.757
  599   1HG2  THR  50          1HG2      THR  50  12.858  10.783  -3.308
  600   2HG2  THR  50          3HG2      THR  50  11.889  10.692  -1.838
  601   3HG2  THR  50          2HG2      THR  50  13.476   9.926  -1.894
  602    MG   THR  50           QG2      THR  50  12.741  10.467  -2.347
  603    H    LYS  51           H        LYS  51  13.091   6.121  -2.228
  604    HA   LYS  51           HA       LYS  51  15.580   6.734  -1.084
  605   1HB   LYS  51          2HB       LYS  51  13.823   4.315  -1.010
  606   2HB   LYS  51          1HB       LYS  51  15.488   4.130  -0.504
  607   1HG   LYS  51          2HG       LYS  51  14.133   4.496   1.445
  608   2HG   LYS  51          1HG       LYS  51  15.133   5.918   1.180
  609   1HD   LYS  51          2HD       LYS  51  13.205   7.052   0.154
  610   2HD   LYS  51          1HD       LYS  51  12.214   5.628   0.468
  611   1HE   LYS  51          2HE       LYS  51  13.556   7.369   2.547
  612   2HE   LYS  51          1HE       LYS  51  11.841   7.328   2.169
  613   1HZ   LYS  51          1HZ       LYS  51  11.849   4.961   2.878
  614   2HZ   LYS  51          3HZ       LYS  51  13.433   5.151   3.440
  615   3HZ   LYS  51          2HZ       LYS  51  12.174   6.036   4.100
  616    QB   LYS  51           QB       LYS  51  14.656   4.222  -0.757
  617    QD   LYS  51           QD       LYS  51  12.709   6.340   0.311
  618    QG   LYS  51           QG       LYS  51  14.633   5.207   1.312
  619    QE   LYS  51           QE       LYS  51  12.698   7.349   2.358
  620    QZ   LYS  51           QZ       LYS  51  12.485   5.383   3.473
  621    H    LYS  52           H        LYS  52  14.676   4.347  -3.558
  622    HA   LYS  52           HA       LYS  52  15.870   3.124  -5.026
  623   1HB   LYS  52          2HB       LYS  52  17.123   4.514  -6.664
  624   2HB   LYS  52          1HB       LYS  52  15.517   5.116  -6.293
  625   1HG   LYS  52          2HG       LYS  52  16.420   6.805  -4.880
  626   2HG   LYS  52          1HG       LYS  52  18.053   6.155  -5.071
  627   1HD   LYS  52          2HD       LYS  52  18.000   6.725  -7.436
  628   2HD   LYS  52          1HD       LYS  52  16.302   7.188  -7.323
  629   1HE   LYS  52          2HE       LYS  52  18.606   8.556  -5.929
  630   2HE   LYS  52          1HE       LYS  52  17.773   9.155  -7.356
  631   1HZ   LYS  52          3HZ       LYS  52  15.696   9.253  -5.991
  632   2HZ   LYS  52          2HZ       LYS  52  16.617   8.799  -4.638
  633   3HZ   LYS  52          1HZ       LYS  52  16.933  10.239  -5.411
  634    QB   LYS  52           QB       LYS  52  16.320   4.815  -6.479
  635    QD   LYS  52           QD       LYS  52  17.151   6.956  -7.379
  636    QG   LYS  52           QG       LYS  52  17.236   6.480  -4.976
  637    QE   LYS  52           QE       LYS  52  18.189   8.856  -6.642
  638    QZ   LYS  52           QZ       LYS  52  16.415   9.430  -5.347
  639    H    LYS  53           H        LYS  53  17.052   2.864  -2.634
  640    HA   LYS  53           HA       LYS  53  19.806   2.936  -3.376
  641   1HB   LYS  53          2HB       LYS  53  20.251   2.733  -0.751
  642   2HB   LYS  53          1HB       LYS  53  19.908   4.226  -1.635
  643   1HG   LYS  53          2HG       LYS  53  18.720   4.241   0.487
  644   2HG   LYS  53          1HG       LYS  53  17.607   4.228  -0.865
  645   1HD   LYS  53          2HD       LYS  53  16.731   2.816   0.809
  646   2HD   LYS  53          1HD       LYS  53  17.311   1.762  -0.464
  647   1HE   LYS  53          2HE       LYS  53  17.932   0.822   1.652
  648   2HE   LYS  53          1HE       LYS  53  19.395   1.434   0.890
  649   1HZ   LYS  53          2HZ       LYS  53  17.824   2.851   2.974
  650   2HZ   LYS  53          1HZ       LYS  53  19.257   2.023   3.235
  651   3HZ   LYS  53          3HZ       LYS  53  19.249   3.413   2.301
  652    QB   LYS  53           QB       LYS  53  20.080   3.480  -1.193
  653    QD   LYS  53           QD       LYS  53  17.021   2.289   0.173
  654    QG   LYS  53           QG       LYS  53  18.164   4.234  -0.189
  655    QE   LYS  53           QE       LYS  53  18.663   1.128   1.271
  656    QZ   LYS  53           QZ       LYS  53  18.777   2.762   2.837
  657    H    ARG  54           H        ARG  54  18.087   0.619  -1.239
  658    HA   ARG  54           HA       ARG  54  19.156  -1.407  -2.994
  659   1HB   ARG  54          2HB       ARG  54  19.645  -1.527  -0.010
  660   2HB   ARG  54          1HB       ARG  54  19.961  -2.814  -1.159
  661   1HG   ARG  54          2HG       ARG  54  21.613  -1.291  -2.279
  662   2HG   ARG  54          1HG       ARG  54  21.375  -0.161  -0.949
  663   1HD   ARG  54          2HD       ARG  54  22.433  -2.979  -0.775
  664   2HD   ARG  54          1HD       ARG  54  23.340  -1.487  -0.546
  665    HE   ARG  54           HE       ARG  54  21.130  -1.773   1.257
  666   1HH1  ARG  54          1HH1      ARG  54  24.542  -2.591   0.737
  667   2HH1  ARG  54          2HH1      ARG  54  24.858  -2.816   2.402
  668   1HH2  ARG  54          1HH2      ARG  54  21.566  -2.146   3.511
  669   2HH2  ARG  54          2HH2      ARG  54  23.140  -2.592   3.992
  670    QB   ARG  54           QB       ARG  54  19.803  -2.170  -0.584
  671    QG   ARG  54           QG       ARG  54  21.494  -0.726  -1.614
  672    QD   ARG  54           QD       ARG  54  22.887  -2.233  -0.660
  673    QH1  ARG  54           QH1      ARG  54  24.700  -2.703   1.569
  674    QH2  ARG  54           QH2      ARG  54  22.353  -2.369   3.752
  675    H    TYR  55           H        TYR  55  17.153  -1.857  -3.626
  676    HA   TYR  55           HA       TYR  55  15.633  -3.395  -1.709
  677   1HB   TYR  55          2HB       TYR  55  13.553  -2.582  -2.599
  678   2HB   TYR  55          1HB       TYR  55  14.452  -1.237  -1.916
  679    HD1  TYR  55          1HD       TYR  55  12.524  -2.387  -4.632
  680    HD2  TYR  55          2HD       TYR  55  15.795   0.172  -3.753
  681    HE1  TYR  55          1HE       TYR  55  12.145  -1.193  -6.747
  682    HE2  TYR  55          2HE       TYR  55  15.419   1.376  -5.864
  683    HH   TYR  55           HH       TYR  55  12.610   0.880  -7.771
  684    QB   TYR  55           QB       TYR  55  14.003  -1.910  -2.258
  685    QD   TYR  55           QD       TYR  55  14.160  -1.108  -4.193
  686    QE   TYR  55           QE       TYR  55  13.782   0.092  -6.305
  687    QR   TYR  55           QR       TYR  55  13.971  -0.508  -5.249
  688    H    SER  56           H        SER  56  15.975  -2.574  -5.168
  689    HA   SER  56           HA       SER  56  16.230  -5.364  -5.826
  690   1HB   SER  56          2HB       SER  56  13.754  -4.950  -5.747
  691   2HB   SER  56          1HB       SER  56  13.961  -3.686  -6.956
  692    HG   SER  56           HG       SER  56  14.893  -5.340  -8.290
  693    QB   SER  56           QB       SER  56  13.857  -4.318  -6.352
  694    H    LEU  57           H        LEU  57  17.827  -2.845  -5.921
  695    HA   LEU  57           HA       LEU  57  18.127  -2.573  -8.829
  696   1HB   LEU  57          2HB       LEU  57  19.092  -0.771  -6.596
  697   2HB   LEU  57          1HB       LEU  57  19.399  -0.501  -8.297
  698    HG   LEU  57           HG       LEU  57  16.756  -0.345  -6.860
  699   1HD1  LEU  57          1HD1      LEU  57  18.434   1.746  -8.228
  700   2HD1  LEU  57          3HD1      LEU  57  16.840   2.008  -7.531
  701   3HD1  LEU  57          2HD1      LEU  57  18.187   1.569  -6.490
  702   1HD2  LEU  57          1HD2      LEU  57  17.341   0.023  -9.796
  703   2HD2  LEU  57          3HD2      LEU  57  16.390  -1.280  -9.077
  704   3HD2  LEU  57          2HD2      LEU  57  15.812   0.384  -8.996
  705    MD1  LEU  57           QD1      LEU  57  17.820   1.774  -7.416
  706    MD2  LEU  57           QD2      LEU  57  16.514  -0.291  -9.290
  707    QB   LEU  57           QB       LEU  57  19.246  -0.636  -7.447
  708    QD   LEU  57           QQD      LEU  57  17.167   0.742  -8.353
  709    H    LEU  58           H        LEU  58  19.041  -4.629  -6.831
  710    HA   LEU  58           HA       LEU  58  21.927  -4.353  -6.832
  711   1HB   LEU  58          2HB       LEU  58  20.118  -6.539  -5.751
  712   2HB   LEU  58          1HB       LEU  58  21.857  -6.545  -5.616
  713    HG   LEU  58           HG       LEU  58  20.970  -5.949  -3.508
  714   1HD1  LEU  58          3HD1      LEU  58  22.080  -3.523  -4.837
  715   2HD1  LEU  58          2HD1      LEU  58  21.898  -3.727  -3.093
  716   3HD1  LEU  58          1HD1      LEU  58  22.950  -4.806  -4.011
  717   1HD2  LEU  58          3HD2      LEU  58  19.378  -3.755  -4.850
  718   2HD2  LEU  58          2HD2      LEU  58  18.726  -5.216  -4.111
  719   3HD2  LEU  58          1HD2      LEU  58  19.510  -3.996  -3.111
  720    MD1  LEU  58           QD1      LEU  58  22.309  -4.019  -3.980
  721    MD2  LEU  58           QD2      LEU  58  19.205  -4.323  -4.024
  722    QB   LEU  58           QB       LEU  58  20.987  -6.542  -5.683
  723    QD   LEU  58           QQD      LEU  58  20.757  -4.171  -4.002
  724    H    GLU  59           H        GLU  59  19.416  -5.748  -8.622
  725    HA   GLU  59           HA       GLU  59  21.314  -7.381 -10.173
  726   1HB   GLU  59          2HB       GLU  59  18.327  -7.690  -9.892
  727   2HB   GLU  59          1HB       GLU  59  19.395  -8.739 -10.813
  728   1HG   GLU  59          2HG       GLU  59  20.444  -9.533  -8.859
  729   2HG   GLU  59          1HG       GLU  59  19.663  -8.317  -7.853
  730    QB   GLU  59           QB       GLU  59  18.861  -8.215 -10.353
  731    QG   GLU  59           QG       GLU  59  20.054  -8.925  -8.356
  732    H    HIS  60           H        HIS  60  21.890  -6.042 -11.797
  733    HA   HIS  60           HA       HIS  60  19.759  -4.946 -13.486
  734   1HB   HIS  60          2HB       HIS  60  22.252  -3.553 -12.534
  735   2HB   HIS  60          1HB       HIS  60  21.440  -3.074 -14.005
  736    HD1  HIS  60          1HD       HIS  60  21.851  -1.386 -11.300
  737    HD2  HIS  60          2HD       HIS  60  18.369  -3.192 -12.650
  738    HE1  HIS  60          1HE       HIS  60  19.949  -0.031 -10.348
  739    QB   HIS  60           QB       HIS  60  21.846  -3.313 -13.269
  740    H    HIS  61           H        HIS  61  20.307  -4.812 -15.680
  741    HA   HIS  61           HA       HIS  61  22.640  -6.385 -16.427
  742   1HB   HIS  61          2HB       HIS  61  21.761  -6.313 -18.769
  743   2HB   HIS  61          1HB       HIS  61  20.583  -6.984 -17.663
  744    HD1  HIS  61          1HD       HIS  61  21.110  -4.224 -20.084
  745    HD2  HIS  61          2HD       HIS  61  18.322  -5.341 -17.223
  746    HE1  HIS  61          1HE       HIS  61  19.041  -2.860 -20.554
  747    QB   HIS  61           QB       HIS  61  21.172  -6.648 -18.216
  748    H    HIS  62           H        HIS  62  21.575  -3.290 -15.965
  749    HA   HIS  62           HA       HIS  62  23.549  -1.875 -17.482
  750   1HB   HIS  62          2HB       HIS  62  21.467  -0.751 -16.849
  751   2HB   HIS  62          1HB       HIS  62  21.735  -1.127 -15.158
  752    HD1  HIS  62          1HD       HIS  62  22.977   0.614 -13.794
  753    HD2  HIS  62          2HD       HIS  62  23.234   1.279 -17.893
  754    HE1  HIS  62          1HE       HIS  62  23.992   2.892 -14.062
  755    QB   HIS  62           QB       HIS  62  21.601  -0.939 -16.003
  756    H    HIS  63           H        HIS  63  25.571  -2.528 -16.977
  757    HA   HIS  63           HA       HIS  63  26.235  -3.254 -14.301
  758   1HB   HIS  63          2HB       HIS  63  28.040  -3.057 -16.726
  759   2HB   HIS  63          1HB       HIS  63  28.506  -3.708 -15.163
  760    HD1  HIS  63          1HD       HIS  63  27.103  -5.956 -14.414
  761    HD2  HIS  63          2HD       HIS  63  26.920  -4.840 -18.416
  762    HE1  HIS  63          1HE       HIS  63  26.271  -7.965 -15.660
  763    QB   HIS  63           QB       HIS  63  28.273  -3.383 -15.944
  764    H    HIS  64           H        HIS  64  26.528  -1.858 -12.858
  765    HA   HIS  64           HA       HIS  64  28.453   0.187 -12.953
  766   1HB   HIS  64          2HB       HIS  64  26.590   1.336 -14.185
  767   2HB   HIS  64          1HB       HIS  64  25.535   1.048 -12.815
  768    HD1  HIS  64          1HD       HIS  64  28.666   2.994 -13.681
  769    HD2  HIS  64          2HD       HIS  64  25.604   2.973 -10.888
  770    HE1  HIS  64          1HE       HIS  64  28.923   5.123 -12.350
  771    QB   HIS  64           QB       HIS  64  26.062   1.192 -13.500

  No H/Q in entry =         771
  Start of MODEL   22
    1    H1   MET   1          2HT       MET   1  12.982  -3.703   0.273
    2    H2   MET   1          1HT       MET   1  12.285  -5.029   0.969
    3    H3   MET   1          3HT       MET   1  13.764  -4.463   1.558
    4    HA   MET   1           HA       MET   1  14.801  -4.949  -0.560
    5   1HB   MET   1          2HB       MET   1  13.339  -7.336   0.610
    6   2HB   MET   1          1HB       MET   1  14.660  -7.452  -0.527
    7   1HG   MET   1          2HG       MET   1  16.148  -6.375   1.106
    8   2HG   MET   1          1HG       MET   1  14.809  -6.308   2.251
    9   1HE   MET   1          1HE       MET   1  13.697  -8.438   3.377
   10   2HE   MET   1          3HE       MET   1  13.337  -9.110   1.785
   11   3HE   MET   1          2HE       MET   1  14.149 -10.098   2.998
   12    QB   MET   1           QB       MET   1  14.000  -7.394   0.041
   13    QG   MET   1           QG       MET   1  15.479  -6.341   1.678
   14    ME   MET   1           QE       MET   1  13.728  -9.215   2.720
   15    H    ASN   2           H        ASN   2  11.625  -6.665  -0.575
   16    HA   ASN   2           HA       ASN   2  11.757  -6.376  -3.475
   17   1HB   ASN   2          2HB       ASN   2  10.148  -8.307  -1.805
   18   2HB   ASN   2          1HB       ASN   2   9.979  -8.142  -3.542
   19   1HD2  ASN   2          1HD2      ASN   2  12.878  -7.781  -4.006
   20   2HD2  ASN   2          2HD2      ASN   2  13.567  -9.321  -3.736
   21    QB   ASN   2           QB       ASN   2  10.064  -8.225  -2.674
   22    QD   ASN   2           QD2      ASN   2  13.223  -8.551  -3.871
   23    H    VAL   3           H        VAL   3  10.936  -4.458  -3.928
   24    HA   VAL   3           HA       VAL   3   8.618  -3.435  -2.676
   25    HB   VAL   3           HB       VAL   3   8.584  -1.698  -4.439
   26   1HG1  VAL   3          3HG1      VAL   3  11.307  -2.216  -3.263
   27   2HG1  VAL   3          2HG1      VAL   3  10.762  -0.671  -3.918
   28   3HG1  VAL   3          1HG1      VAL   3   9.977  -1.348  -2.494
   29   1HG2  VAL   3          2HG2      VAL   3   9.347  -3.043  -6.350
   30   2HG2  VAL   3          1HG2      VAL   3  10.348  -1.603  -6.144
   31   3HG2  VAL   3          3HG2      VAL   3  10.944  -3.173  -5.619
   32    MG1  VAL   3           QG1      VAL   3  10.682  -1.412  -3.225
   33    MG2  VAL   3           QG2      VAL   3  10.213  -2.607  -6.038
   34    QG   VAL   3           QQG      VAL   3  10.447  -2.009  -4.631
   35    H    THR   4           H        THR   4   9.147  -5.575  -5.284
   36    HA   THR   4           HA       THR   4   6.641  -5.344  -6.527
   37    HB   THR   4           HB       THR   4   8.545  -6.511  -7.622
   38    HG1  THR   4          1HG       THR   4   6.849  -8.636  -7.585
   39   1HG2  THR   4          2HG2      THR   4   9.449  -7.694  -5.663
   40   2HG2  THR   4          1HG2      THR   4   8.009  -8.703  -5.619
   41   3HG2  THR   4          3HG2      THR   4   9.116  -8.817  -6.988
   42    MG   THR   4           QG2      THR   4   8.858  -8.405  -6.090
   43    H    LYS   5           H        LYS   5   7.714  -7.061  -3.657
   44    HA   LYS   5           HA       LYS   5   5.244  -8.497  -3.395
   45   1HB   LYS   5          2HB       LYS   5   7.637  -8.214  -1.600
   46   2HB   LYS   5          1HB       LYS   5   6.159  -8.985  -1.043
   47   1HG   LYS   5          2HG       LYS   5   7.843  -9.873  -3.384
   48   2HG   LYS   5          1HG       LYS   5   7.781 -10.640  -1.791
   49   1HD   LYS   5          2HD       LYS   5   5.295 -10.927  -2.168
   50   2HD   LYS   5          1HD       LYS   5   5.575 -10.449  -3.833
   51   1HE   LYS   5          2HE       LYS   5   6.824 -12.809  -2.442
   52   2HE   LYS   5          1HE       LYS   5   5.491 -12.874  -3.586
   53   1HZ   LYS   5          2HZ       LYS   5   7.002 -12.003  -5.302
   54   2HZ   LYS   5          1HZ       LYS   5   8.268 -11.985  -4.200
   55   3HZ   LYS   5          3HZ       LYS   5   7.560 -13.438  -4.633
   56    QB   LYS   5           QB       LYS   5   6.898  -8.599  -1.322
   57    QD   LYS   5           QD       LYS   5   5.435 -10.688  -3.000
   58    QG   LYS   5           QG       LYS   5   7.812 -10.257  -2.588
   59    QE   LYS   5           QE       LYS   5   6.157 -12.841  -3.014
   60    QZ   LYS   5           QZ       LYS   5   7.610 -12.475  -4.712
   61    H    LEU   6           H        LEU   6   6.594  -5.542  -2.279
   62    HA   LEU   6           HA       LEU   6   4.616  -4.926  -0.343
   63   1HB   LEU   6          2HB       LEU   6   6.841  -3.778  -0.590
   64   2HB   LEU   6          1HB       LEU   6   6.242  -3.082  -2.081
   65    HG   LEU   6           HG       LEU   6   4.580  -1.784  -0.857
   66   1HD1  LEU   6          2HD1      LEU   6   5.809  -3.006   1.615
   67   2HD1  LEU   6          1HD1      LEU   6   4.625  -1.701   1.589
   68   3HD1  LEU   6          3HD1      LEU   6   4.175  -3.304   1.011
   69   1HD2  LEU   6          3HD2      LEU   6   7.373  -1.520   0.246
   70   2HD2  LEU   6          2HD2      LEU   6   6.781  -0.820  -1.258
   71   3HD2  LEU   6          1HD2      LEU   6   6.125  -0.277   0.286
   72    MD1  LEU   6           QD1      LEU   6   4.870  -2.670   1.405
   73    MD2  LEU   6           QD2      LEU   6   6.759  -0.873  -0.242
   74    QB   LEU   6           QB       LEU   6   6.542  -3.430  -1.335
   75    QD   LEU   6           QQD      LEU   6   5.815  -1.771   0.582
   76    H    ASN   7           H        ASN   7   5.050  -4.205  -3.769
   77    HA   ASN   7           HA       ASN   7   2.701  -2.818  -4.303
   78   1HB   ASN   7          2HB       ASN   7   4.630  -3.109  -5.903
   79   2HB   ASN   7          1HB       ASN   7   4.125  -4.762  -6.122
   80   1HD2  ASN   7          1HD2      ASN   7   2.354  -5.251  -7.382
   81   2HD2  ASN   7          2HD2      ASN   7   1.591  -4.076  -8.381
   82    QB   ASN   7           QB       ASN   7   4.378  -3.935  -6.013
   83    QD   ASN   7           QD2      ASN   7   1.972  -4.663  -7.881
   84    H    ASP   8           H        ASP   8   3.465  -6.212  -4.288
   85    HA   ASP   8           HA       ASP   8   1.106  -7.354  -5.251
   86   1HB   ASP   8          2HB       ASP   8   3.306  -8.501  -4.886
   87   2HB   ASP   8          1HB       ASP   8   2.977  -8.470  -3.165
   88    QB   ASP   8           QB       ASP   8   3.142  -8.485  -4.025
   89    H    ARG   9           H        ARG   9   1.982  -6.246  -2.057
   90    HA   ARG   9           HA       ARG   9  -0.279  -7.257  -0.661
   91   1HB   ARG   9          2HB       ARG   9   1.573  -4.959  -0.068
   92   2HB   ARG   9          1HB       ARG   9   0.320  -5.480   1.035
   93   1HG   ARG   9          2HG       ARG   9   1.391  -7.688   1.171
   94   2HG   ARG   9          1HG       ARG   9   2.655  -7.113   0.080
   95   1HD   ARG   9          2HD       ARG   9   3.351  -7.039   2.407
   96   2HD   ARG   9          1HD       ARG   9   3.298  -5.423   1.700
   97    HE   ARG   9           HE       ARG   9   0.864  -5.742   2.872
   98   1HH1  ARG   9          1HH1      ARG   9   4.188  -6.093   4.071
   99   2HH1  ARG   9          2HH1      ARG   9   3.845  -5.503   5.628
  100   1HH2  ARG   9          1HH2      ARG   9   0.395  -4.882   5.062
  101   2HH2  ARG   9          2HH2      ARG   9   1.636  -4.766   6.194
  102    QB   ARG   9           QB       ARG   9   0.947  -5.219   0.484
  103    QG   ARG   9           QG       ARG   9   2.023  -7.400   0.626
  104    QD   ARG   9           QD       ARG   9   3.325  -6.231   2.053
  105    QH1  ARG   9           QH1      ARG   9   4.017  -5.798   4.849
  106    QH2  ARG   9           QH2      ARG   9   1.015  -4.824   5.628
  107    H    ILE  10           H        ILE  10   0.444  -4.256  -2.315
  108    HA   ILE  10           HA       ILE  10  -1.884  -2.819  -1.654
  109    HB   ILE  10           HB       ILE  10  -0.315  -2.646  -4.248
  110   1HG1  ILE  10          2HG1      ILE  10   0.127  -1.163  -1.664
  111   2HG1  ILE  10          1HG1      ILE  10   1.156  -2.459  -2.263
  112   1HG2  ILE  10          1HG2      ILE  10  -2.502  -1.468  -4.185
  113   2HG2  ILE  10          3HG2      ILE  10  -1.927  -0.540  -2.796
  114   3HG2  ILE  10          2HG2      ILE  10  -1.130  -0.373  -4.362
  115   1HD1  ILE  10          3HD1      ILE  10   0.676   0.182  -3.593
  116   2HD1  ILE  10          2HD1      ILE  10   2.123  -0.275  -2.690
  117   3HD1  ILE  10          1HD1      ILE  10   1.729  -1.090  -4.207
  118    MG   ILE  10           QG2      ILE  10  -1.853  -0.794  -3.781
  119    MD   ILE  10           QD1      ILE  10   1.509  -0.395  -3.497
  120    QG   ILE  10           QG1      ILE  10   0.641  -1.811  -1.964
  121    H    GLU  11           H        GLU  11  -1.043  -4.979  -4.277
  122    HA   GLU  11           HA       GLU  11  -3.299  -4.858  -5.875
  123   1HB   GLU  11          2HB       GLU  11  -1.595  -7.261  -5.255
  124   2HB   GLU  11          1HB       GLU  11  -2.691  -7.118  -6.620
  125   1HG   GLU  11          2HG       GLU  11  -0.306  -5.349  -6.141
  126   2HG   GLU  11          1HG       GLU  11  -0.321  -6.748  -7.206
  127    QB   GLU  11           QB       GLU  11  -2.143  -7.189  -5.938
  128    QG   GLU  11           QG       GLU  11  -0.314  -6.049  -6.673
  129    H    ALA  12           H        ALA  12  -2.654  -6.969  -3.115
  130    HA   ALA  12           HA       ALA  12  -5.148  -8.341  -3.229
  131   1HB   ALA  12          3HB       ALA  12  -3.172  -9.334  -2.181
  132   2HB   ALA  12          1HB       ALA  12  -4.519  -9.258  -1.049
  133   3HB   ALA  12          2HB       ALA  12  -3.199  -8.089  -0.938
  134    MB   ALA  12           QB       ALA  12  -3.630  -8.894  -1.390
  135    H    LYS  13           H        LYS  13  -4.070  -5.403  -1.812
  136    HA   LYS  13           HA       LYS  13  -6.235  -5.209   0.060
  137   1HB   LYS  13          2HB       LYS  13  -3.963  -4.188   0.447
  138   2HB   LYS  13          1HB       LYS  13  -4.317  -3.039  -0.829
  139   1HG   LYS  13          2HG       LYS  13  -4.629  -2.140   1.468
  140   2HG   LYS  13          1HG       LYS  13  -6.078  -2.044   0.464
  141   1HD   LYS  13          2HD       LYS  13  -7.084  -3.884   1.580
  142   2HD   LYS  13          1HD       LYS  13  -5.569  -4.329   2.361
  143   1HE   LYS  13          2HE       LYS  13  -7.007  -1.725   2.868
  144   2HE   LYS  13          1HE       LYS  13  -7.269  -3.187   3.821
  145   1HZ   LYS  13          2HZ       LYS  13  -4.562  -1.998   3.493
  146   2HZ   LYS  13          1HZ       LYS  13  -5.612  -1.588   4.772
  147   3HZ   LYS  13          3HZ       LYS  13  -5.096  -3.170   4.572
  148    QB   LYS  13           QB       LYS  13  -4.140  -3.613  -0.191
  149    QD   LYS  13           QD       LYS  13  -6.327  -4.107   1.971
  150    QG   LYS  13           QG       LYS  13  -5.353  -2.092   0.966
  151    QE   LYS  13           QE       LYS  13  -7.138  -2.456   3.345
  152    QZ   LYS  13           QZ       LYS  13  -5.090  -2.252   4.279
  153    H    LYS  14           H        LYS  14  -5.456  -4.045  -3.126
  154    HA   LYS  14           HA       LYS  14  -7.629  -2.372  -3.633
  155   1HB   LYS  14          2HB       LYS  14  -6.239  -4.315  -5.479
  156   2HB   LYS  14          1HB       LYS  14  -7.378  -3.093  -6.010
  157   1HG   LYS  14          2HG       LYS  14  -5.883  -1.342  -5.316
  158   2HG   LYS  14          1HG       LYS  14  -4.789  -2.536  -4.601
  159   1HD   LYS  14          2HD       LYS  14  -4.379  -3.511  -6.718
  160   2HD   LYS  14          1HD       LYS  14  -5.530  -2.433  -7.510
  161   1HE   LYS  14          2HE       LYS  14  -4.116  -0.508  -6.886
  162   2HE   LYS  14          1HE       LYS  14  -2.984  -1.614  -6.111
  163   1HZ   LYS  14          1HZ       LYS  14  -3.675  -1.671  -8.988
  164   2HZ   LYS  14          3HZ       LYS  14  -2.295  -0.949  -8.335
  165   3HZ   LYS  14          2HZ       LYS  14  -2.495  -2.617  -8.192
  166    QB   LYS  14           QB       LYS  14  -6.809  -3.704  -5.744
  167    QD   LYS  14           QD       LYS  14  -4.954  -2.972  -7.114
  168    QG   LYS  14           QG       LYS  14  -5.336  -1.939  -4.959
  169    QE   LYS  14           QE       LYS  14  -3.550  -1.061  -6.498
  170    QZ   LYS  14           QZ       LYS  14  -2.822  -1.746  -8.505
  171    H    LYS  15           H        LYS  15  -7.287  -5.863  -4.067
  172    HA   LYS  15           HA       LYS  15  -9.844  -6.429  -5.052
  173   1HB   LYS  15          2HB       LYS  15  -8.168  -8.213  -3.280
  174   2HB   LYS  15          1HB       LYS  15  -9.473  -8.729  -4.331
  175   1HG   LYS  15          2HG       LYS  15  -8.154  -8.028  -6.285
  176   2HG   LYS  15          1HG       LYS  15  -6.851  -7.535  -5.209
  177   1HD   LYS  15          2HD       LYS  15  -6.332  -9.710  -6.094
  178   2HD   LYS  15          1HD       LYS  15  -6.716  -9.883  -4.386
  179   1HE   LYS  15          2HE       LYS  15  -7.755 -11.674  -5.634
  180   2HE   LYS  15          1HE       LYS  15  -9.010 -10.600  -5.021
  181   1HZ   LYS  15          2HZ       LYS  15  -7.941 -10.500  -7.789
  182   2HZ   LYS  15          1HZ       LYS  15  -9.366 -11.269  -7.348
  183   3HZ   LYS  15          3HZ       LYS  15  -9.227  -9.608  -7.179
  184    QB   LYS  15           QB       LYS  15  -8.820  -8.471  -3.806
  185    QD   LYS  15           QD       LYS  15  -6.524  -9.796  -5.240
  186    QG   LYS  15           QG       LYS  15  -7.502  -7.781  -5.747
  187    QE   LYS  15           QE       LYS  15  -8.383 -11.137  -5.327
  188    QZ   LYS  15           QZ       LYS  15  -8.845 -10.459  -7.438
  189    H    GLU  16           H        GLU  16  -8.640  -6.219  -1.764
  190    HA   GLU  16           HA       GLU  16 -10.982  -7.075  -0.446
  191   1HB   GLU  16          2HB       GLU  16  -8.714  -6.978   0.593
  192   2HB   GLU  16          1HB       GLU  16  -8.806  -5.226   0.559
  193   1HG   GLU  16          2HG       GLU  16 -10.654  -5.248   2.105
  194   2HG   GLU  16          1HG       GLU  16 -10.707  -7.010   2.045
  195    QB   GLU  16           QB       GLU  16  -8.760  -6.102   0.576
  196    QG   GLU  16           QG       GLU  16 -10.681  -6.129   2.075
  197    H    LEU  17           H        LEU  17  -9.735  -3.942  -1.415
  198    HA   LEU  17           HA       LEU  17 -11.761  -2.373  -0.287
  199   1HB   LEU  17          2HB       LEU  17  -9.593  -1.460  -0.979
  200   2HB   LEU  17          1HB       LEU  17  -9.972  -1.804  -2.649
  201    HG   LEU  17           HG       LEU  17 -11.782  -0.132  -2.590
  202   1HD1  LEU  17          1HD1      LEU  17 -10.816   0.392   0.211
  203   2HD1  LEU  17          3HD1      LEU  17 -11.964   1.390  -0.678
  204   3HD1  LEU  17          2HD1      LEU  17 -12.387  -0.268  -0.241
  205   1HD2  LEU  17          1HD2      LEU  17  -9.119   0.898  -1.628
  206   2HD2  LEU  17          3HD2      LEU  17  -9.552   0.546  -3.303
  207   3HD2  LEU  17          2HD2      LEU  17 -10.363   1.852  -2.433
  208    MD1  LEU  17           QD1      LEU  17 -11.722   0.505  -0.236
  209    MD2  LEU  17           QD2      LEU  17  -9.678   1.099  -2.455
  210    QB   LEU  17           QB       LEU  17  -9.783  -1.632  -1.814
  211    QD   LEU  17           QQD      LEU  17 -10.700   0.802  -1.345
  212    H    ILE  18           H        ILE  18 -11.437  -3.859  -3.508
  213    HA   ILE  18           HA       ILE  18 -13.635  -2.751  -4.858
  214    HB   ILE  18           HB       ILE  18 -13.031  -5.716  -4.981
  215   1HG1  ILE  18          2HG1      ILE  18 -10.875  -4.584  -5.264
  216   2HG1  ILE  18          1HG1      ILE  18 -11.387  -5.306  -6.782
  217   1HG2  ILE  18          1HG2      ILE  18 -14.114  -3.828  -7.060
  218   2HG2  ILE  18          3HG2      ILE  18 -13.754  -5.533  -7.327
  219   3HG2  ILE  18          2HG2      ILE  18 -15.006  -5.069  -6.178
  220   1HD1  ILE  18          1HD1      ILE  18 -12.076  -3.099  -7.553
  221   2HD1  ILE  18          3HD1      ILE  18 -11.511  -2.414  -6.018
  222   3HD1  ILE  18          2HD1      ILE  18 -10.367  -3.200  -7.114
  223    MG   ILE  18           QG2      ILE  18 -14.292  -4.810  -6.855
  224    MD   ILE  18           QD1      ILE  18 -11.318  -2.904  -6.895
  225    QG   ILE  18           QG1      ILE  18 -11.131  -4.945  -6.023
  226    H    TYR  19           H        TYR  19 -13.435  -5.605  -2.904
  227    HA   TYR  19           HA       TYR  19 -16.028  -6.577  -2.895
  228   1HB   TYR  19          2HB       TYR  19 -13.906  -7.649  -2.135
  229   2HB   TYR  19          1HB       TYR  19 -13.956  -6.654  -0.700
  230    HD1  TYR  19          1HD       TYR  19 -15.369  -7.263   1.160
  231    HD2  TYR  19          2HD       TYR  19 -15.513  -9.439  -2.489
  232    HE1  TYR  19          1HE       TYR  19 -16.585  -9.073   2.292
  233    HE2  TYR  19          2HE       TYR  19 -16.733 -11.244  -1.374
  234    HH   TYR  19           HH       TYR  19 -18.168 -10.940   1.615
  235    QB   TYR  19           QB       TYR  19 -13.931  -7.151  -1.418
  236    QD   TYR  19           QD       TYR  19 -15.441  -8.351  -0.664
  237    QE   TYR  19           QE       TYR  19 -16.659 -10.159   0.459
  238    QR   TYR  19           QR       TYR  19 -16.050  -9.255  -0.103
  239    H    LEU  20           H        LEU  20 -14.442  -4.277  -0.755
  240    HA   LEU  20           HA       LEU  20 -16.677  -3.953   0.983
  241   1HB   LEU  20          2HB       LEU  20 -14.141  -2.360   0.728
  242   2HB   LEU  20          1HB       LEU  20 -15.308  -2.195   2.029
  243    HG   LEU  20           HG       LEU  20 -13.799  -4.738   1.422
  244   1HD1  LEU  20          2HD1      LEU  20 -12.298  -2.969   2.160
  245   2HD1  LEU  20          1HD1      LEU  20 -13.311  -2.703   3.577
  246   3HD1  LEU  20          3HD1      LEU  20 -12.460  -4.235   3.375
  247   1HD2  LEU  20          1HD2      LEU  20 -15.943  -5.110   2.534
  248   2HD2  LEU  20          3HD2      LEU  20 -14.596  -5.441   3.621
  249   3HD2  LEU  20          2HD2      LEU  20 -15.504  -3.939   3.778
  250    MD1  LEU  20           QD1      LEU  20 -12.689  -3.302   3.037
  251    MD2  LEU  20           QD2      LEU  20 -15.348  -4.830   3.311
  252    QB   LEU  20           QB       LEU  20 -14.725  -2.278   1.378
  253    QD   LEU  20           QQD      LEU  20 -14.019  -4.066   3.174
  254    H    VAL  21           H        VAL  21 -15.424  -2.103  -1.755
  255    HA   VAL  21           HA       VAL  21 -17.105   0.145  -1.404
  256    HB   VAL  21           HB       VAL  21 -15.896  -0.923  -3.989
  257   1HG1  VAL  21          1HG1      VAL  21 -17.091   1.795  -3.416
  258   2HG1  VAL  21          3HG1      VAL  21 -16.261   1.334  -4.901
  259   3HG1  VAL  21          2HG1      VAL  21 -17.784   0.558  -4.466
  260   1HG2  VAL  21          1HG2      VAL  21 -14.218  -0.311  -2.336
  261   2HG2  VAL  21          3HG2      VAL  21 -14.213   0.829  -3.681
  262   3HG2  VAL  21          2HG2      VAL  21 -14.965   1.277  -2.149
  263    MG1  VAL  21           QG1      VAL  21 -17.046   1.229  -4.261
  264    MG2  VAL  21           QG2      VAL  21 -14.466   0.598  -2.722
  265    QG   VAL  21           QQG      VAL  21 -15.756   0.914  -3.492
  266    H    GLU  22           H        GLU  22 -17.536  -2.872  -3.156
  267    HA   GLU  22           HA       GLU  22 -20.017  -2.240  -4.327
  268   1HB   GLU  22          2HB       GLU  22 -18.972  -4.942  -3.487
  269   2HB   GLU  22          1HB       GLU  22 -20.315  -4.656  -4.581
  270   1HG   GLU  22          2HG       GLU  22 -17.429  -3.952  -5.054
  271   2HG   GLU  22          1HG       GLU  22 -18.345  -5.247  -5.817
  272    QB   GLU  22           QB       GLU  22 -19.644  -4.799  -4.034
  273    QG   GLU  22           QG       GLU  22 -17.887  -4.599  -5.435
  274    H    LYS  23           H        LYS  23 -19.133  -3.409  -1.197
  275    HA   LYS  23           HA       LYS  23 -21.823  -4.070  -0.407
  276   1HB   LYS  23          2HB       LYS  23 -19.217  -4.046   1.039
  277   2HB   LYS  23          1HB       LYS  23 -20.737  -4.270   1.886
  278   1HG   LYS  23          2HG       LYS  23 -21.194  -6.233   0.527
  279   2HG   LYS  23          1HG       LYS  23 -19.660  -6.003  -0.317
  280   1HD   LYS  23          2HD       LYS  23 -18.412  -6.422   1.640
  281   2HD   LYS  23          1HD       LYS  23 -19.841  -6.289   2.668
  282   1HE   LYS  23          2HE       LYS  23 -19.380  -8.419   0.594
  283   2HE   LYS  23          1HE       LYS  23 -19.118  -8.614   2.326
  284   1HZ   LYS  23          3HZ       LYS  23 -21.727  -7.956   1.062
  285   2HZ   LYS  23          2HZ       LYS  23 -21.276  -9.468   1.661
  286   3HZ   LYS  23          1HZ       LYS  23 -21.442  -8.166   2.707
  287    QB   LYS  23           QB       LYS  23 -19.977  -4.158   1.462
  288    QD   LYS  23           QD       LYS  23 -19.127  -6.355   2.154
  289    QG   LYS  23           QG       LYS  23 -20.427  -6.118   0.105
  290    QE   LYS  23           QE       LYS  23 -19.249  -8.517   1.460
  291    QZ   LYS  23           QZ       LYS  23 -21.481  -8.530   1.810
  292    H    TYR  24           H        TYR  24 -19.569  -1.433   0.335
  293    HA   TYR  24           HA       TYR  24 -21.682  -0.350   2.049
  294   1HB   TYR  24          2HB       TYR  24 -18.719   0.119   2.184
  295   2HB   TYR  24          1HB       TYR  24 -19.915   0.856   3.249
  296    HD1  TYR  24          1HD       TYR  24 -17.880  -2.030   2.596
  297    HD2  TYR  24          2HD       TYR  24 -21.283  -0.665   4.739
  298    HE1  TYR  24          1HE       TYR  24 -17.743  -4.003   4.050
  299    HE2  TYR  24          2HE       TYR  24 -21.152  -2.632   6.205
  300    HH   TYR  24           HH       TYR  24 -18.441  -4.788   6.156
  301    QB   TYR  24           QB       TYR  24 -19.317   0.487   2.716
  302    QD   TYR  24           QD       TYR  24 -19.582  -1.347   3.667
  303    QE   TYR  24           QE       TYR  24 -19.448  -3.317   5.127
  304    QR   TYR  24           QR       TYR  24 -19.515  -2.332   4.397
  305    H    GLY  25           H        GLY  25 -19.910   0.410  -0.814
  306   1HA   GLY  25          1HA       GLY  25 -21.378   2.919  -0.945
  307   2HA   GLY  25          2HA       GLY  25 -20.490   2.143  -2.253
  308    QA   GLY  25           QA       GLY  25 -20.934   2.531  -1.599
  309    H    PHE  26           H        PHE  26 -19.950   4.569  -2.346
  310    HA   PHE  26           HA       PHE  26 -17.215   4.755  -1.436
  311   1HB   PHE  26          2HB       PHE  26 -17.014   6.623  -2.977
  312   2HB   PHE  26          1HB       PHE  26 -17.874   5.318  -3.774
  313    HD1  PHE  26          1HD       PHE  26 -17.921   8.768  -2.851
  314    HD2  PHE  26          2HD       PHE  26 -20.440   5.504  -3.928
  315    HE1  PHE  26          1HE       PHE  26 -19.717  10.338  -3.406
  316    HE2  PHE  26          2HE       PHE  26 -22.238   7.078  -4.487
  317    HZ   PHE  26           HZ       PHE  26 -21.881   9.499  -4.229
  318    QB   PHE  26           QB       PHE  26 -17.444   5.970  -3.375
  319    QD   PHE  26           QD       PHE  26 -19.180   7.136  -3.390
  320    QE   PHE  26           QE       PHE  26 -20.978   8.708  -3.946
  321    QR   PHE  26           QR       PHE  26 -20.439   8.237  -3.780
  322    H    THR  27           H        THR  27 -20.258   5.999  -0.451
  323    HA   THR  27           HA       THR  27 -19.209   8.373   0.777
  324    HB   THR  27           HB       THR  27 -21.978   7.183   1.083
  325    HG1  THR  27          1HG       THR  27 -22.466   8.195  -0.884
  326   1HG2  THR  27          2HG2      THR  27 -20.959  10.045   1.100
  327   2HG2  THR  27          1HG2      THR  27 -22.646   9.557   1.285
  328   3HG2  THR  27          3HG2      THR  27 -21.462   9.132   2.520
  329    MG   THR  27           QG2      THR  27 -21.689   9.578   1.635
  330    H    HIS  28           H        HIS  28 -19.192   5.178   1.636
  331    HA   HIS  28           HA       HIS  28 -19.812   5.412   4.435
  332   1HB   HIS  28          2HB       HIS  28 -20.167   3.349   3.052
  333   2HB   HIS  28          1HB       HIS  28 -18.425   3.178   2.936
  334    HD1  HIS  28          1HD       HIS  28 -21.235   2.950   5.471
  335    HD2  HIS  28          2HD       HIS  28 -17.246   1.894   5.041
  336    HE1  HIS  28          1HE       HIS  28 -20.728   1.377   7.365
  337    QB   HIS  28           QB       HIS  28 -19.296   3.263   2.994
  338    H    HIS  29           H        HIS  29 -18.426   5.995   6.002
  339    HA   HIS  29           HA       HIS  29 -16.038   7.315   5.394
  340   1HB   HIS  29          2HB       HIS  29 -16.977   6.330   8.099
  341   2HB   HIS  29          1HB       HIS  29 -15.614   7.403   7.839
  342    HD1  HIS  29          1HD       HIS  29 -19.129   7.501   8.614
  343    HD2  HIS  29          2HD       HIS  29 -16.472   9.874   6.483
  344    HE1  HIS  29          1HE       HIS  29 -20.207   9.764   8.441
  345    QB   HIS  29           QB       HIS  29 -16.296   6.867   7.969
  346    H    LYS  30           H        LYS  30 -16.490   4.104   6.747
  347    HA   LYS  30           HA       LYS  30 -13.798   3.561   7.202
  348   1HB   LYS  30          2HB       LYS  30 -15.957   1.580   6.486
  349   2HB   LYS  30          1HB       LYS  30 -14.374   1.169   7.121
  350   1HG   LYS  30          2HG       LYS  30 -14.844   2.384   9.166
  351   2HG   LYS  30          1HG       LYS  30 -16.414   2.856   8.521
  352   1HD   LYS  30          2HD       LYS  30 -16.746   1.039   9.999
  353   2HD   LYS  30          1HD       LYS  30 -16.998   0.481   8.342
  354   1HE   LYS  30          2HE       LYS  30 -15.752  -1.184   9.615
  355   2HE   LYS  30          1HE       LYS  30 -14.743  -0.508   8.344
  356   1HZ   LYS  30          1HZ       LYS  30 -14.635   0.262  11.228
  357   2HZ   LYS  30          3HZ       LYS  30 -13.522  -0.699  10.413
  358   3HZ   LYS  30          2HZ       LYS  30 -13.680   0.907   9.997
  359    QB   LYS  30           QB       LYS  30 -15.165   1.375   6.803
  360    QD   LYS  30           QD       LYS  30 -16.872   0.760   9.170
  361    QG   LYS  30           QG       LYS  30 -15.629   2.620   8.844
  362    QE   LYS  30           QE       LYS  30 -15.248  -0.846   8.980
  363    QZ   LYS  30           QZ       LYS  30 -13.946   0.156  10.546
  364    H    VAL  31           H        VAL  31 -15.718   3.213   4.280
  365    HA   VAL  31           HA       VAL  31 -13.770   1.833   2.749
  366    HB   VAL  31           HB       VAL  31 -16.099   3.558   1.823
  367   1HG1  VAL  31          1HG1      VAL  31 -14.401   3.392   0.056
  368   2HG1  VAL  31          3HG1      VAL  31 -14.405   1.636   0.215
  369   3HG1  VAL  31          2HG1      VAL  31 -15.847   2.471  -0.364
  370   1HG2  VAL  31          2HG2      VAL  31 -15.791   0.568   2.037
  371   2HG2  VAL  31          1HG2      VAL  31 -16.778   1.590   3.077
  372   3HG2  VAL  31          3HG2      VAL  31 -17.188   1.418   1.373
  373    MG1  VAL  31           QG1      VAL  31 -14.884   2.499  -0.031
  374    MG2  VAL  31           QG2      VAL  31 -16.586   1.192   2.162
  375    QG   VAL  31           QQG      VAL  31 -15.735   1.846   1.066
  376    H    ILE  32           H        ILE  32 -14.501   5.217   3.230
  377    HA   ILE  32           HA       ILE  32 -12.643   6.312   1.437
  378    HB   ILE  32           HB       ILE  32 -13.567   7.434   4.110
  379   1HG1  ILE  32          2HG1      ILE  32 -14.642   7.924   1.313
  380   2HG1  ILE  32          1HG1      ILE  32 -15.420   6.939   2.542
  381   1HG2  ILE  32          3HG2      ILE  32 -12.292   8.829   1.752
  382   2HG2  ILE  32          2HG2      ILE  32 -12.928   9.636   3.187
  383   3HG2  ILE  32          1HG2      ILE  32 -11.542   8.557   3.323
  384   1HD1  ILE  32          2HD1      ILE  32 -15.682   8.935   3.948
  385   2HD1  ILE  32          1HD1      ILE  32 -14.923   9.906   2.690
  386   3HD1  ILE  32          3HD1      ILE  32 -16.470   9.114   2.380
  387    MG   ILE  32           QG2      ILE  32 -12.254   9.007   2.754
  388    MD   ILE  32           QD1      ILE  32 -15.692   9.318   3.006
  389    QG   ILE  32           QG1      ILE  32 -15.031   7.432   1.927
  390    H    SER  33           H        SER  33 -12.346   5.357   4.840
  391    HA   SER  33           HA       SER  33  -9.673   6.120   5.171
  392   1HB   SER  33          2HB       SER  33 -11.233   5.632   7.042
  393   2HB   SER  33          1HB       SER  33 -11.165   3.919   6.629
  394    HG   SER  33           HG       SER  33  -9.027   5.579   7.438
  395    QB   SER  33           QB       SER  33 -11.199   4.775   6.836
  396    H    PHE  34           H        PHE  34 -11.105   3.082   4.016
  397    HA   PHE  34           HA       PHE  34  -8.681   1.601   3.890
  398   1HB   PHE  34          2HB       PHE  34 -11.118   1.251   2.131
  399   2HB   PHE  34          1HB       PHE  34  -9.855   0.058   2.410
  400    HD1  PHE  34          1HD       PHE  34  -9.662   0.476   5.426
  401    HD2  PHE  34          2HD       PHE  34 -12.953   0.001   2.793
  402    HE1  PHE  34          1HE       PHE  34 -10.976  -0.450   7.257
  403    HE2  PHE  34          2HE       PHE  34 -14.299  -0.929   4.637
  404    HZ   PHE  34           HZ       PHE  34 -13.305  -1.160   6.878
  405    QB   PHE  34           QB       PHE  34 -10.486   0.655   2.270
  406    QD   PHE  34           QD       PHE  34 -11.308   0.239   4.109
  407    QE   PHE  34           QE       PHE  34 -12.637  -0.689   5.947
  408    QR   PHE  34           QR       PHE  34 -12.239  -0.412   5.398
  409    H    SER  35           H        SER  35 -10.308   3.743   1.678
  410    HA   SER  35           HA       SER  35  -8.635   3.287  -0.543
  411   1HB   SER  35          2HB       SER  35 -10.253   5.752   0.156
  412   2HB   SER  35          1HB       SER  35  -9.621   5.351  -1.443
  413    HG   SER  35           HG       SER  35 -11.570   3.901   0.052
  414    QB   SER  35           QB       SER  35  -9.937   5.551  -0.644
  415    H    GLN  36           H        GLN  36  -8.433   5.400   2.241
  416    HA   GLN  36           HA       GLN  36  -6.201   6.929   1.379
  417   1HB   GLN  36          2HB       GLN  36  -6.994   6.226   4.216
  418   2HB   GLN  36          1HB       GLN  36  -5.887   7.503   3.750
  419   1HG   GLN  36          2HG       GLN  36  -8.841   7.381   3.177
  420   2HG   GLN  36          1HG       GLN  36  -8.038   8.407   4.357
  421   1HE2  GLN  36          1HE2      GLN  36  -8.776   7.918   1.042
  422   2HE2  GLN  36          2HE2      GLN  36  -8.189   9.417   0.453
  423    QB   GLN  36           QB       GLN  36  -6.441   6.865   3.983
  424    QG   GLN  36           QG       GLN  36  -8.439   7.894   3.767
  425    QE   GLN  36           QE2      GLN  36  -8.483   8.668   0.748
  426    H    GLU  37           H        GLU  37  -6.580   3.893   3.111
  427    HA   GLU  37           HA       GLU  37  -3.897   3.400   3.778
  428   1HB   GLU  37          2HB       GLU  37  -6.045   1.412   3.038
  429   2HB   GLU  37          1HB       GLU  37  -4.517   1.005   3.794
  430   1HG   GLU  37          2HG       GLU  37  -5.161   2.375   5.730
  431   2HG   GLU  37          1HG       GLU  37  -6.724   2.666   4.964
  432    QB   GLU  37           QB       GLU  37  -5.281   1.209   3.416
  433    QG   GLU  37           QG       GLU  37  -5.942   2.520   5.347
  434    H    LEU  38           H        LEU  38  -5.782   2.535   0.951
  435    HA   LEU  38           HA       LEU  38  -3.864   1.035  -0.405
  436   1HB   LEU  38          2HB       LEU  38  -6.408   1.354  -0.829
  437   2HB   LEU  38          1HB       LEU  38  -5.944   2.756  -1.755
  438    HG   LEU  38           HG       LEU  38  -6.450   0.760  -3.146
  439   1HD1  LEU  38          3HD1      LEU  38  -3.584   1.647  -3.339
  440   2HD1  LEU  38          2HD1      LEU  38  -4.499   0.827  -4.602
  441   3HD1  LEU  38          1HD1      LEU  38  -4.975   2.445  -4.075
  442   1HD2  LEU  38          2HD2      LEU  38  -5.680  -0.943  -1.605
  443   2HD2  LEU  38          1HD2      LEU  38  -4.902  -1.107  -3.182
  444   3HD2  LEU  38          3HD2      LEU  38  -4.014  -0.417  -1.830
  445    MD1  LEU  38           QD1      LEU  38  -4.352   1.639  -4.006
  446    MD2  LEU  38           QD2      LEU  38  -4.865  -0.822  -2.206
  447    QB   LEU  38           QB       LEU  38  -6.176   2.055  -1.292
  448    QD   LEU  38           QQD      LEU  38  -4.609   0.409  -3.106
  449    H    ASP  39           H        ASP  39  -4.642   4.486  -0.602
  450    HA   ASP  39           HA       ASP  39  -2.739   5.217  -2.536
  451   1HB   ASP  39          2HB       ASP  39  -4.527   6.734  -1.973
  452   2HB   ASP  39          1HB       ASP  39  -3.974   6.836  -0.307
  453    QB   ASP  39           QB       ASP  39  -4.250   6.785  -1.140
  454    H    ARG  40           H        ARG  40  -2.525   5.139   0.970
  455    HA   ARG  40           HA       ARG  40   0.057   6.274   1.079
  456   1HB   ARG  40          2HB       ARG  40  -1.476   4.706   3.138
  457   2HB   ARG  40          1HB       ARG  40   0.063   5.504   3.459
  458   1HG   ARG  40          2HG       ARG  40  -0.894   7.653   2.899
  459   2HG   ARG  40          1HG       ARG  40  -2.419   6.877   2.478
  460   1HD   ARG  40          2HD       ARG  40  -2.676   6.150   4.785
  461   2HD   ARG  40          1HD       ARG  40  -1.148   6.934   5.206
  462    HE   ARG  40           HE       ARG  40  -2.635   8.858   3.997
  463   1HH1  ARG  40          1HH1      ARG  40  -3.002   6.884   6.915
  464   2HH1  ARG  40          2HH1      ARG  40  -3.999   8.024   7.709
  465   1HH2  ARG  40          1HH2      ARG  40  -4.069  10.358   5.051
  466   2HH2  ARG  40          2HH2      ARG  40  -4.644  10.026   6.615
  467    QB   ARG  40           QB       ARG  40  -0.707   5.105   3.298
  468    QG   ARG  40           QG       ARG  40  -1.657   7.265   2.688
  469    QD   ARG  40           QD       ARG  40  -1.912   6.542   4.996
  470    QH1  ARG  40           QH1      ARG  40  -3.501   7.454   7.312
  471    QH2  ARG  40           QH2      ARG  40  -4.356  10.192   5.833
  472    H    LEU  41           H        LEU  41  -1.031   2.924   1.023
  473    HA   LEU  41           HA       LEU  41   1.556   1.833   1.336
  474   1HB   LEU  41          2HB       LEU  41  -1.032   0.742   0.322
  475   2HB   LEU  41          1HB       LEU  41   0.444  -0.121  -0.050
  476    HG   LEU  41           HG       LEU  41   0.897  -0.404   2.350
  477   1HD1  LEU  41          1HD1      LEU  41  -1.767   0.920   2.773
  478   2HD1  LEU  41          3HD1      LEU  41  -0.825   0.079   4.003
  479   3HD1  LEU  41          2HD1      LEU  41  -0.191   1.549   3.256
  480   1HD2  LEU  41          2HD2      LEU  41  -0.307  -2.127   1.129
  481   2HD2  LEU  41          1HD2      LEU  41  -0.866  -2.028   2.798
  482   3HD2  LEU  41          3HD2      LEU  41  -1.837  -1.335   1.499
  483    MD1  LEU  41           QD1      LEU  41  -0.928   0.849   3.344
  484    MD2  LEU  41           QD2      LEU  41  -1.003  -1.830   1.809
  485    QB   LEU  41           QB       LEU  41  -0.294   0.310   0.136
  486    QD   LEU  41           QQD      LEU  41  -0.965  -0.490   2.576
  487    H    LEU  42           H        LEU  42  -0.250   2.902  -1.476
  488    HA   LEU  42           HA       LEU  42   1.600   1.989  -3.403
  489   1HB   LEU  42          2HB       LEU  42  -0.718   2.697  -3.932
  490   2HB   LEU  42          1HB       LEU  42  -0.282   4.348  -3.556
  491    HG   LEU  42           HG       LEU  42   1.300   4.350  -5.451
  492   1HD1  LEU  42          3HD1      LEU  42   0.183   1.604  -5.978
  493   2HD1  LEU  42          2HD1      LEU  42   1.195   2.520  -7.093
  494   3HD1  LEU  42          1HD1      LEU  42   1.844   1.997  -5.539
  495   1HD2  LEU  42          2HD2      LEU  42  -0.977   5.167  -5.758
  496   2HD2  LEU  42          1HD2      LEU  42  -0.390   4.379  -7.221
  497   3HD2  LEU  42          3HD2      LEU  42  -1.515   3.534  -6.157
  498    MD1  LEU  42           QD1      LEU  42   1.074   2.040  -6.203
  499    MD2  LEU  42           QD2      LEU  42  -0.961   4.360  -6.379
  500    QB   LEU  42           QB       LEU  42  -0.500   3.522  -3.744
  501    QD   LEU  42           QQD      LEU  42   0.057   3.200  -6.291
  502    H    ASN  43           H        ASN  43   1.374   4.883  -1.493
  503    HA   ASN  43           HA       ASN  43   3.470   6.280  -2.776
  504   1HB   ASN  43          2HB       ASN  43   2.039   6.697  -0.199
  505   2HB   ASN  43          1HB       ASN  43   3.578   7.513  -0.435
  506   1HD2  ASN  43          1HD2      ASN  43   0.262   7.281  -1.484
  507   2HD2  ASN  43          2HD2      ASN  43   0.280   8.745  -2.392
  508    QB   ASN  43           QB       ASN  43   2.809   7.105  -0.317
  509    QD   ASN  43           QD2      ASN  43   0.271   8.013  -1.938
  510    H    LEU  44           H        LEU  44   3.543   3.662  -0.635
  511    HA   LEU  44           HA       LEU  44   6.073   4.165   0.519
  512   1HB   LEU  44          2HB       LEU  44   4.631   1.574  -0.008
  513   2HB   LEU  44          1HB       LEU  44   6.116   1.702   0.925
  514    HG   LEU  44           HG       LEU  44   3.473   2.970   1.661
  515   1HD1  LEU  44          1HD1      LEU  44   3.382   0.540   1.807
  516   2HD1  LEU  44          3HD1      LEU  44   4.853   0.536   2.781
  517   3HD1  LEU  44          2HD1      LEU  44   3.381   1.270   3.415
  518   1HD2  LEU  44          3HD2      LEU  44   6.063   2.738   3.197
  519   2HD2  LEU  44          2HD2      LEU  44   5.388   4.223   2.525
  520   3HD2  LEU  44          1HD2      LEU  44   4.551   3.386   3.828
  521    MD1  LEU  44           QD1      LEU  44   3.872   0.782   2.668
  522    MD2  LEU  44           QD2      LEU  44   5.334   3.449   3.183
  523    QB   LEU  44           QB       LEU  44   5.374   1.638   0.458
  524    QD   LEU  44           QQD      LEU  44   4.603   2.115   2.926
  525    H    LEU  45           H        LEU  45   5.057   2.698  -2.506
  526    HA   LEU  45           HA       LEU  45   7.711   1.936  -3.301
  527   1HB   LEU  45          2HB       LEU  45   5.186   2.326  -4.906
  528   2HB   LEU  45          1HB       LEU  45   6.712   1.908  -5.645
  529    HG   LEU  45           HG       LEU  45   6.704  -0.206  -4.299
  530   1HD1  LEU  45          3HD1      LEU  45   5.200   0.460  -2.509
  531   2HD1  LEU  45          2HD1      LEU  45   3.877   0.598  -3.669
  532   3HD1  LEU  45          1HD1      LEU  45   4.606  -0.976  -3.346
  533   1HD2  LEU  45          3HD2      LEU  45   4.400   0.265  -6.171
  534   2HD2  LEU  45          2HD2      LEU  45   6.047  -0.186  -6.615
  535   3HD2  LEU  45          1HD2      LEU  45   5.038  -1.305  -5.699
  536    MD1  LEU  45           QD1      LEU  45   4.561   0.027  -3.175
  537    MD2  LEU  45           QD2      LEU  45   5.162  -0.409  -6.162
  538    QB   LEU  45           QB       LEU  45   5.949   2.117  -5.276
  539    QD   LEU  45           QQD      LEU  45   4.861  -0.191  -4.668
  540    H    ILE  46           H        ILE  46   5.604   4.641  -3.841
  541    HA   ILE  46           HA       ILE  46   7.174   6.105  -5.642
  542    HB   ILE  46           HB       ILE  46   5.220   7.161  -3.562
  543   1HG1  ILE  46          2HG1      ILE  46   4.772   6.408  -6.464
  544   2HG1  ILE  46          1HG1      ILE  46   4.237   5.477  -5.072
  545   1HG2  ILE  46          1HG2      ILE  46   6.647   8.927  -4.435
  546   2HG2  ILE  46          3HG2      ILE  46   6.246   8.468  -6.089
  547   3HG2  ILE  46          2HG2      ILE  46   4.996   9.117  -5.028
  548   1HD1  ILE  46          2HD1      ILE  46   2.767   7.333  -4.415
  549   2HD1  ILE  46          1HD1      ILE  46   3.304   8.243  -5.825
  550   3HD1  ILE  46          3HD1      ILE  46   2.406   6.740  -6.035
  551    MG   ILE  46           QG2      ILE  46   5.963   8.838  -5.184
  552    MD   ILE  46           QD1      ILE  46   2.826   7.438  -5.425
  553    QG   ILE  46           QG1      ILE  46   4.504   5.942  -5.768
  554    H    GLU  47           H        GLU  47   7.298   5.744  -2.202
  555    HA   GLU  47           HA       GLU  47   8.924   7.869  -1.434
  556   1HB   GLU  47          2HB       GLU  47   7.677   6.287   0.025
  557   2HB   GLU  47          1HB       GLU  47   8.909   5.078  -0.300
  558   1HG   GLU  47          2HG       GLU  47   9.390   6.031   1.810
  559   2HG   GLU  47          1HG       GLU  47  10.584   6.662   0.678
  560    QB   GLU  47           QB       GLU  47   8.293   5.682  -0.137
  561    QG   GLU  47           QG       GLU  47   9.987   6.346   1.244
  562    H    LEU  48           H        LEU  48   9.777   4.736  -2.862
  563    HA   LEU  48           HA       LEU  48  12.594   5.095  -2.480
  564   1HB   LEU  48          2HB       LEU  48  11.040   3.230  -4.285
  565   2HB   LEU  48          1HB       LEU  48  12.783   3.313  -4.335
  566    HG   LEU  48           HG       LEU  48  12.175   1.398  -3.084
  567   1HD1  LEU  48          3HD1      LEU  48  14.089   2.584  -2.239
  568   2HD1  LEU  48          2HD1      LEU  48  13.056   3.510  -1.151
  569   3HD1  LEU  48          1HD1      LEU  48  13.218   1.775  -0.936
  570   1HD2  LEU  48          2HD2      LEU  48  10.483   3.176  -1.336
  571   2HD2  LEU  48          1HD2      LEU  48   9.890   1.970  -2.479
  572   3HD2  LEU  48          3HD2      LEU  48  10.801   1.466  -1.055
  573    MD1  LEU  48           QD1      LEU  48  13.454   2.623  -1.442
  574    MD2  LEU  48           QD2      LEU  48  10.391   2.204  -1.623
  575    QB   LEU  48           QB       LEU  48  11.912   3.272  -4.310
  576    QD   LEU  48           QQD      LEU  48  11.923   2.414  -1.533
  577    H    LYS  49           H        LYS  49  10.301   5.903  -4.903
  578    HA   LYS  49           HA       LYS  49  12.176   6.626  -6.936
  579   1HB   LYS  49          2HB       LYS  49   9.274   7.397  -6.609
  580   2HB   LYS  49          1HB       LYS  49  10.217   7.583  -8.076
  581   1HG   LYS  49          2HG       LYS  49   9.578   4.942  -6.750
  582   2HG   LYS  49          1HG       LYS  49   8.705   5.611  -8.120
  583   1HD   LYS  49          2HD       LYS  49  11.654   4.923  -8.115
  584   2HD   LYS  49          1HD       LYS  49  10.384   3.887  -8.752
  585   1HE   LYS  49          2HE       LYS  49  11.009   6.667  -9.737
  586   2HE   LYS  49          1HE       LYS  49  11.536   5.180 -10.523
  587   1HZ   LYS  49          1HZ       LYS  49   9.204   4.606 -10.844
  588   2HZ   LYS  49          3HZ       LYS  49   8.722   6.058 -10.131
  589   3HZ   LYS  49          2HZ       LYS  49   9.581   6.057 -11.582
  590    QB   LYS  49           QB       LYS  49   9.746   7.490  -7.342
  591    QD   LYS  49           QD       LYS  49  11.019   4.405  -8.434
  592    QG   LYS  49           QG       LYS  49   9.141   5.276  -7.435
  593    QE   LYS  49           QE       LYS  49  11.272   5.924 -10.130
  594    QZ   LYS  49           QZ       LYS  49   9.169   5.573 -10.852
  595    H    THR  50           H        THR  50  10.303   8.422  -4.515
  596    HA   THR  50           HA       THR  50  11.130  10.967  -5.318
  597    HB   THR  50           HB       THR  50  10.286  11.686  -3.037
  598    HG1  THR  50          1HG       THR  50  10.370   9.950  -1.741
  599   1HG2  THR  50          3HG2      THR  50   8.609   9.993  -4.817
  600   2HG2  THR  50          2HG2      THR  50   7.961  11.175  -3.658
  601   3HG2  THR  50          1HG2      THR  50   8.945  11.708  -5.038
  602    MG   THR  50           QG2      THR  50   8.505  10.959  -4.505
  603    H    LYS  51           H        LYS  51  12.793   8.629  -3.605
  604    HA   LYS  51           HA       LYS  51  14.617  10.184  -2.132
  605   1HB   LYS  51          2HB       LYS  51  15.080   7.558  -3.588
  606   2HB   LYS  51          1HB       LYS  51  16.193   8.276  -2.441
  607   1HG   LYS  51          2HG       LYS  51  14.610   7.971  -0.643
  608   2HG   LYS  51          1HG       LYS  51  13.389   7.415  -1.784
  609   1HD   LYS  51          2HD       LYS  51  14.376   5.511  -0.623
  610   2HD   LYS  51          1HD       LYS  51  14.808   5.473  -2.329
  611   1HE   LYS  51          2HE       LYS  51  17.005   6.398  -1.791
  612   2HE   LYS  51          1HE       LYS  51  16.565   6.460  -0.084
  613   1HZ   LYS  51          1HZ       LYS  51  16.789   3.986  -1.730
  614   2HZ   LYS  51          3HZ       LYS  51  17.903   4.541  -0.607
  615   3HZ   LYS  51          2HZ       LYS  51  16.400   4.046  -0.079
  616    QB   LYS  51           QB       LYS  51  15.637   7.917  -3.014
  617    QD   LYS  51           QD       LYS  51  14.592   5.492  -1.476
  618    QG   LYS  51           QG       LYS  51  14.000   7.693  -1.214
  619    QE   LYS  51           QE       LYS  51  16.785   6.429  -0.937
  620    QZ   LYS  51           QZ       LYS  51  17.031   4.191  -0.805
  621    H    LYS  52           H        LYS  52  14.401   9.184  -5.489
  622    HA   LYS  52           HA       LYS  52  15.547   9.442  -7.349
  623   1HB   LYS  52          2HB       LYS  52  15.875  11.714  -8.167
  624   2HB   LYS  52          1HB       LYS  52  14.324  11.508  -7.385
  625   1HG   LYS  52          2HG       LYS  52  15.130  12.702  -5.435
  626   2HG   LYS  52          1HG       LYS  52  16.734  12.837  -6.164
  627   1HD   LYS  52          2HD       LYS  52  15.801  14.079  -8.018
  628   2HD   LYS  52          1HD       LYS  52  14.189  13.936  -7.326
  629   1HE   LYS  52          2HE       LYS  52  15.147  16.144  -6.840
  630   2HE   LYS  52          1HE       LYS  52  14.902  15.218  -5.361
  631   1HZ   LYS  52          2HZ       LYS  52  17.495  15.543  -6.779
  632   2HZ   LYS  52          1HZ       LYS  52  17.025  16.369  -5.400
  633   3HZ   LYS  52          3HZ       LYS  52  17.258  14.710  -5.327
  634    QB   LYS  52           QB       LYS  52  15.100  11.611  -7.776
  635    QD   LYS  52           QD       LYS  52  14.995  14.008  -7.672
  636    QG   LYS  52           QG       LYS  52  15.932  12.770  -5.799
  637    QE   LYS  52           QE       LYS  52  15.025  15.681  -6.100
  638    QZ   LYS  52           QZ       LYS  52  17.259  15.541  -5.835
  639    H    LYS  53           H        LYS  53  17.353   9.722  -4.743
  640    HA   LYS  53           HA       LYS  53  19.852  10.100  -6.093
  641   1HB   LYS  53          2HB       LYS  53  20.805   9.677  -3.797
  642   2HB   LYS  53          1HB       LYS  53  19.692  11.014  -3.895
  643   1HG   LYS  53          2HG       LYS  53  19.141   9.946  -1.852
  644   2HG   LYS  53          1HG       LYS  53  17.897   9.418  -2.972
  645   1HD   LYS  53          2HD       LYS  53  18.709   7.591  -1.550
  646   2HD   LYS  53          1HD       LYS  53  19.014   7.280  -3.257
  647   1HE   LYS  53          2HE       LYS  53  20.933   6.627  -1.892
  648   2HE   LYS  53          1HE       LYS  53  21.364   7.948  -2.958
  649   1HZ   LYS  53          1HZ       LYS  53  20.733   8.180  -0.054
  650   2HZ   LYS  53          3HZ       LYS  53  22.252   8.244  -0.766
  651   3HZ   LYS  53          2HZ       LYS  53  21.166   9.470  -1.077
  652    QB   LYS  53           QB       LYS  53  20.249  10.345  -3.846
  653    QD   LYS  53           QD       LYS  53  18.861   7.435  -2.403
  654    QG   LYS  53           QG       LYS  53  18.519   9.682  -2.412
  655    QE   LYS  53           QE       LYS  53  21.148   7.288  -2.425
  656    QZ   LYS  53           QZ       LYS  53  21.384   8.631  -0.632
  657    H    ARG  54           H        ARG  54  18.070   8.001  -6.877
  658    HA   ARG  54           HA       ARG  54  19.099   5.493  -5.953
  659   1HB   ARG  54          2HB       ARG  54  17.482   5.944  -8.472
  660   2HB   ARG  54          1HB       ARG  54  17.589   4.473  -7.519
  661   1HG   ARG  54          2HG       ARG  54  16.488   5.862  -5.639
  662   2HG   ARG  54          1HG       ARG  54  16.078   6.995  -6.927
  663   1HD   ARG  54          2HD       ARG  54  14.204   5.575  -6.691
  664   2HD   ARG  54          1HD       ARG  54  15.044   5.007  -8.140
  665    HE   ARG  54           HE       ARG  54  15.992   3.660  -5.864
  666   1HH1  ARG  54          1HH1      ARG  54  13.181   3.663  -8.012
  667   2HH1  ARG  54          2HH1      ARG  54  12.742   2.062  -7.666
  668   1HH2  ARG  54          1HH2      ARG  54  15.389   1.491  -5.382
  669   2HH2  ARG  54          2HH2      ARG  54  14.049   0.770  -6.146
  670    QB   ARG  54           QB       ARG  54  17.536   5.209  -7.996
  671    QG   ARG  54           QG       ARG  54  16.283   6.428  -6.283
  672    QD   ARG  54           QD       ARG  54  14.624   5.291  -7.415
  673    QH1  ARG  54           QH1      ARG  54  12.961   2.862  -7.839
  674    QH2  ARG  54           QH2      ARG  54  14.719   1.130  -5.764
  675    H    TYR  55           H        TYR  55  20.498   4.152  -7.143
  676    HA   TYR  55           HA       TYR  55  22.492   5.669  -8.438
  677   1HB   TYR  55          2HB       TYR  55  22.269   2.712  -7.933
  678   2HB   TYR  55          1HB       TYR  55  23.688   3.485  -8.640
  679    HD1  TYR  55          1HD       TYR  55  25.110   4.934  -7.309
  680    HD2  TYR  55          2HD       TYR  55  21.744   3.013  -5.557
  681    HE1  TYR  55          1HE       TYR  55  25.992   5.444  -5.071
  682    HE2  TYR  55          2HE       TYR  55  22.612   3.521  -3.317
  683    HH   TYR  55           HH       TYR  55  25.194   5.700  -2.793
  684    QB   TYR  55           QB       TYR  55  22.978   3.098  -8.286
  685    QD   TYR  55           QD       TYR  55  23.427   3.974  -6.433
  686    QE   TYR  55           QE       TYR  55  24.302   4.482  -4.194
  687    QR   TYR  55           QR       TYR  55  23.864   4.228  -5.314
  688    H    SER  56           H        SER  56  19.812   3.924  -9.584
  689    HA   SER  56           HA       SER  56  20.648   3.482 -12.213
  690   1HB   SER  56          2HB       SER  56  18.078   3.552 -12.537
  691   2HB   SER  56          1HB       SER  56  18.750   2.306 -11.485
  692    HG   SER  56           HG       SER  56  17.138   4.446 -10.879
  693    QB   SER  56           QB       SER  56  18.414   2.929 -12.011
  694    H    LEU  57           H        LEU  57  19.695   6.332 -10.505
  695    HA   LEU  57           HA       LEU  57  19.301   7.853 -12.973
  696   1HB   LEU  57          2HB       LEU  57  19.034   8.723 -10.090
  697   2HB   LEU  57          1HB       LEU  57  18.700   9.733 -11.475
  698    HG   LEU  57           HG       LEU  57  17.127   7.304 -10.597
  699   1HD1  LEU  57          2HD1      LEU  57  16.431  10.231 -10.648
  700   2HD1  LEU  57          1HD1      LEU  57  15.338   8.915 -10.228
  701   3HD1  LEU  57          3HD1      LEU  57  16.743   9.252  -9.223
  702   1HD2  LEU  57          2HD2      LEU  57  16.748   9.119 -12.973
  703   2HD2  LEU  57          1HD2      LEU  57  17.168   7.411 -13.030
  704   3HD2  LEU  57          3HD2      LEU  57  15.588   7.911 -12.424
  705    MD1  LEU  57           QD1      LEU  57  16.171   9.466 -10.033
  706    MD2  LEU  57           QD2      LEU  57  16.502   8.147 -12.809
  707    QB   LEU  57           QB       LEU  57  18.867   9.228 -10.783
  708    QD   LEU  57           QQD      LEU  57  16.336   8.806 -11.421
  709    H    LEU  58           H        LEU  58  21.317   7.711 -10.110
  710    HA   LEU  58           HA       LEU  58  22.914   9.970 -10.840
  711   1HB   LEU  58          2HB       LEU  58  23.483   7.864  -8.774
  712   2HB   LEU  58          1HB       LEU  58  24.293   9.407  -8.928
  713    HG   LEU  58           HG       LEU  58  21.422   8.954  -8.120
  714   1HD1  LEU  58          1HD1      LEU  58  23.027   8.405  -6.403
  715   2HD1  LEU  58          3HD1      LEU  58  23.806   9.975  -6.604
  716   3HD1  LEU  58          2HD1      LEU  58  22.153   9.877  -5.984
  717   1HD2  LEU  58          1HD2      LEU  58  21.630  11.015  -9.454
  718   2HD2  LEU  58          3HD2      LEU  58  21.306  11.374  -7.759
  719   3HD2  LEU  58          2HD2      LEU  58  22.934  11.562  -8.395
  720    MD1  LEU  58           QD1      LEU  58  22.996   9.419  -6.330
  721    MD2  LEU  58           QD2      LEU  58  21.957  11.317  -8.536
  722    QB   LEU  58           QB       LEU  58  23.888   8.635  -8.851
  723    QD   LEU  58           QQD      LEU  58  22.476  10.368  -7.433
  724    H    GLU  59           H        GLU  59  23.414   6.447 -11.030
  725    HA   GLU  59           HA       GLU  59  26.061   6.918 -12.163
  726   1HB   GLU  59          2HB       GLU  59  24.808   4.497 -10.851
  727   2HB   GLU  59          1HB       GLU  59  26.437   4.573 -11.490
  728   1HG   GLU  59          2HG       GLU  59  25.389   6.216  -9.200
  729   2HG   GLU  59          1HG       GLU  59  26.354   4.747  -9.055
  730    QB   GLU  59           QB       GLU  59  25.622   4.535 -11.171
  731    QG   GLU  59           QG       GLU  59  25.871   5.482  -9.128
  732    H    HIS  60           H        HIS  60  26.264   4.454 -13.272
  733    HA   HIS  60           HA       HIS  60  24.148   4.357 -15.284
  734   1HB   HIS  60          2HB       HIS  60  27.054   3.551 -15.448
  735   2HB   HIS  60          1HB       HIS  60  25.864   2.942 -16.592
  736    HD1  HIS  60          1HD       HIS  60  25.386   4.417 -18.590
  737    HD2  HIS  60          2HD       HIS  60  27.319   6.435 -15.515
  738    HE1  HIS  60          1HE       HIS  60  25.956   6.688 -19.494
  739    QB   HIS  60           QB       HIS  60  26.459   3.246 -16.020
  740    H    HIS  61           H        HIS  61  23.381   2.325 -15.872
  741    HA   HIS  61           HA       HIS  61  22.466   0.345 -15.478
  742   1HB   HIS  61          2HB       HIS  61  24.860  -0.108 -13.682
  743   2HB   HIS  61          1HB       HIS  61  23.577  -1.302 -13.851
  744    HD1  HIS  61          1HD       HIS  61  24.338  -3.106 -15.405
  745    HD2  HIS  61          2HD       HIS  61  25.744   0.632 -16.542
  746    HE1  HIS  61          1HE       HIS  61  25.713  -3.478 -17.486
  747    QB   HIS  61           QB       HIS  61  24.218  -0.705 -13.766
  748    H    HIS  62           H        HIS  62  21.409  -0.989 -13.726
  749    HA   HIS  62           HA       HIS  62  20.118   0.976 -12.022
  750   1HB   HIS  62          2HB       HIS  62  19.204  -1.772 -12.904
  751   2HB   HIS  62          1HB       HIS  62  18.287  -0.720 -11.833
  752    HD1  HIS  62          1HD       HIS  62  19.354  -1.040 -15.448
  753    HD2  HIS  62          2HD       HIS  62  16.956   1.376 -13.062
  754    HE1  HIS  62          1HE       HIS  62  18.048   0.423 -17.018
  755    QB   HIS  62           QB       HIS  62  18.745  -1.246 -12.369
  756    H    HIS  63           H        HIS  63  22.513  -1.155 -11.706
  757    HA   HIS  63           HA       HIS  63  21.926  -1.617  -8.868
  758   1HB   HIS  63          2HB       HIS  63  21.706  -3.731 -10.195
  759   2HB   HIS  63          1HB       HIS  63  23.368  -3.522 -10.735
  760    HD1  HIS  63          1HD       HIS  63  25.251  -4.067  -8.976
  761    HD2  HIS  63          2HD       HIS  63  21.369  -4.689  -7.645
  762    HE1  HIS  63          1HE       HIS  63  25.455  -5.377  -6.837
  763    QB   HIS  63           QB       HIS  63  22.537  -3.627 -10.465
  764    H    HIS  64           H        HIS  64  23.637  -1.177  -7.525
  765    HA   HIS  64           HA       HIS  64  26.229  -0.628  -8.698
  766   1HB   HIS  64          2HB       HIS  64  24.983   1.540  -8.594
  767   2HB   HIS  64          1HB       HIS  64  24.777   1.309  -6.867
  768    HD1  HIS  64          1HD       HIS  64  27.283   2.344  -9.421
  769    HD2  HIS  64          2HD       HIS  64  27.054   1.784  -5.323
  770    HE1  HIS  64          1HE       HIS  64  29.319   3.476  -8.451
  771    QB   HIS  64           QB       HIS  64  24.880   1.425  -7.730

  No H/Q in entry =         771
  Start of MODEL   23
    1    H1   MET   1          1HT       MET   1   9.373  -6.448   3.859
    2    H2   MET   1          3HT       MET   1  10.013  -4.974   4.373
    3    H3   MET   1          2HT       MET   1   8.904  -5.020   3.111
    4    HA   MET   1           HA       MET   1  11.027  -4.632   2.222
    5   1HB   MET   1          2HB       MET   1  12.842  -6.287   2.448
    6   2HB   MET   1          1HB       MET   1  12.390  -5.620   4.008
    7   1HG   MET   1          2HG       MET   1  11.176  -7.636   4.558
    8   2HG   MET   1          1HG       MET   1  11.478  -8.287   2.952
    9   1HE   MET   1          1HE       MET   1  14.011  -6.274   5.246
   10   2HE   MET   1          3HE       MET   1  13.105  -7.263   6.395
   11   3HE   MET   1          2HE       MET   1  14.812  -7.596   6.094
   12    QB   MET   1           QB       MET   1  12.616  -5.954   3.228
   13    QG   MET   1           QG       MET   1  11.327  -7.962   3.755
   14    ME   MET   1           QE       MET   1  13.976  -7.044   5.912
   15    H    ASN   2           H        ASN   2  11.891  -5.782   0.309
   16    HA   ASN   2           HA       ASN   2  11.669  -6.823  -1.623
   17   1HB   ASN   2          2HB       ASN   2   9.902  -8.782  -0.132
   18   2HB   ASN   2          1HB       ASN   2  10.297  -8.958  -1.839
   19   1HD2  ASN   2          1HD2      ASN   2  11.418  -9.320   1.399
   20   2HD2  ASN   2          2HD2      ASN   2  12.945 -10.003   0.983
   21    QB   ASN   2           QB       ASN   2  10.099  -8.870  -0.985
   22    QD   ASN   2           QD2      ASN   2  12.181  -9.661   1.191
   23    H    VAL   3           H        VAL   3  10.850  -5.818  -3.195
   24    HA   VAL   3           HA       VAL   3   8.487  -4.321  -2.855
   25    HB   VAL   3           HB       VAL   3   8.806  -3.496  -5.132
   26   1HG1  VAL   3          2HG1      VAL   3  11.352  -3.664  -3.538
   27   2HG1  VAL   3          1HG1      VAL   3  11.043  -2.507  -4.831
   28   3HG1  VAL   3          3HG1      VAL   3  10.070  -2.465  -3.361
   29   1HG2  VAL   3          1HG2      VAL   3   9.570  -5.572  -6.221
   30   2HG2  VAL   3          3HG2      VAL   3  10.691  -4.243  -6.520
   31   3HG2  VAL   3          2HG2      VAL   3  11.088  -5.471  -5.326
   32    MG1  VAL   3           QG1      VAL   3  10.822  -2.878  -3.910
   33    MG2  VAL   3           QG2      VAL   3  10.449  -5.095  -6.022
   34    QG   VAL   3           QQG      VAL   3  10.636  -3.987  -4.966
   35    H    THR   4           H        THR   4   9.072  -7.400  -4.322
   36    HA   THR   4           HA       THR   4   6.736  -7.420  -5.857
   37    HB   THR   4           HB       THR   4   8.489  -9.034  -6.370
   38    HG1  THR   4          1HG       THR   4   7.143 -10.823  -6.665
   39   1HG2  THR   4          1HG2      THR   4   9.244  -9.475  -4.050
   40   2HG2  THR   4          3HG2      THR   4   7.761 -10.384  -3.766
   41   3HG2  THR   4          2HG2      THR   4   8.941 -10.962  -4.944
   42    MG   THR   4           QG2      THR   4   8.649 -10.274  -4.254
   43    H    LYS   5           H        LYS   5   7.269  -8.431  -2.499
   44    HA   LYS   5           HA       LYS   5   4.532  -9.239  -2.370
   45   1HB   LYS   5          2HB       LYS   5   4.877  -9.586   0.081
   46   2HB   LYS   5          1HB       LYS   5   5.962 -10.495  -0.942
   47   1HG   LYS   5          2HG       LYS   5   7.748  -8.937  -0.463
   48   2HG   LYS   5          1HG       LYS   5   6.648  -7.958   0.503
   49   1HD   LYS   5          2HD       LYS   5   7.935  -9.269   2.029
   50   2HD   LYS   5          1HD       LYS   5   6.317  -9.946   1.999
   51   1HE   LYS   5          2HE       LYS   5   8.669 -11.070   0.454
   52   2HE   LYS   5          1HE       LYS   5   8.189 -11.632   2.044
   53   1HZ   LYS   5          3HZ       LYS   5   5.998 -12.281   1.007
   54   2HZ   LYS   5          2HZ       LYS   5   6.665 -11.943  -0.509
   55   3HZ   LYS   5          1HZ       LYS   5   7.329 -13.115   0.427
   56    QB   LYS   5           QB       LYS   5   5.419 -10.041  -0.431
   57    QD   LYS   5           QD       LYS   5   7.126  -9.607   2.014
   58    QG   LYS   5           QG       LYS   5   7.198  -8.447   0.020
   59    QE   LYS   5           QE       LYS   5   8.429 -11.351   1.249
   60    QZ   LYS   5           QZ       LYS   5   6.664 -12.446   0.308
   61    H    LEU   6           H        LEU   6   6.328  -6.390  -1.759
   62    HA   LEU   6           HA       LEU   6   4.466  -4.933  -0.249
   63   1HB   LEU   6          2HB       LEU   6   6.787  -4.179  -0.757
   64   2HB   LEU   6          1HB       LEU   6   6.311  -3.968  -2.429
   65    HG   LEU   6           HG       LEU   6   4.796  -2.138  -1.791
   66   1HD1  LEU   6          3HD1      LEU   6   5.870  -2.583   0.989
   67   2HD1  LEU   6          2HD1      LEU   6   4.834  -1.253   0.465
   68   3HD1  LEU   6          1HD1      LEU   6   4.219  -2.903   0.449
   69   1HD2  LEU   6          2HD2      LEU   6   7.109  -1.644  -2.404
   70   2HD2  LEU   6          1HD2      LEU   6   6.517  -0.520  -1.185
   71   3HD2  LEU   6          3HD2      LEU   6   7.599  -1.830  -0.718
   72    MD1  LEU   6           QD1      LEU   6   4.975  -2.246   0.634
   73    MD2  LEU   6           QD2      LEU   6   7.075  -1.331  -1.436
   74    QB   LEU   6           QB       LEU   6   6.549  -4.074  -1.593
   75    QD   LEU   6           QQD      LEU   6   6.025  -1.789  -0.401
   76    H    ASN   7           H        ASN   7   4.942  -5.136  -3.760
   77    HA   ASN   7           HA       ASN   7   2.724  -3.596  -4.538
   78   1HB   ASN   7          2HB       ASN   7   4.671  -4.231  -6.003
   79   2HB   ASN   7          1HB       ASN   7   4.050  -5.865  -6.063
   80   1HD2  ASN   7          1HD2      ASN   7   1.206  -4.976  -6.446
   81   2HD2  ASN   7          2HD2      ASN   7   1.137  -4.422  -8.064
   82    QB   ASN   7           QB       ASN   7   4.360  -5.048  -6.033
   83    QD   ASN   7           QD2      ASN   7   1.172  -4.699  -7.255
   84    H    ASP   8           H        ASP   8   3.145  -7.024  -3.975
   85    HA   ASP   8           HA       ASP   8   0.672  -7.980  -4.816
   86   1HB   ASP   8          2HB       ASP   8   2.548  -9.431  -4.363
   87   2HB   ASP   8          1HB       ASP   8   2.505  -8.987  -2.661
   88    QB   ASP   8           QB       ASP   8   2.526  -9.209  -3.512
   89    H    ARG   9           H        ARG   9   1.680  -6.933  -1.587
   90    HA   ARG   9           HA       ARG   9  -0.778  -7.442  -0.298
   91   1HB   ARG   9          2HB       ARG   9   1.396  -5.461   0.403
   92   2HB   ARG   9          1HB       ARG   9   0.057  -5.867   1.462
   93   1HG   ARG   9          2HG       ARG   9   0.822  -8.181   1.561
   94   2HG   ARG   9          1HG       ARG   9   2.131  -7.799   0.446
   95   1HD   ARG   9          2HD       ARG   9   3.002  -7.846   2.683
   96   2HD   ARG   9          1HD       ARG   9   3.003  -6.182   2.106
   97    HE   ARG   9           HE       ARG   9   0.617  -6.707   3.486
   98   1HH1  ARG   9          1HH1      ARG   9   4.070  -6.222   4.114
   99   2HH1  ARG   9          2HH1      ARG   9   3.876  -5.643   5.692
  100   1HH2  ARG   9          1HH2      ARG   9   0.325  -5.958   5.714
  101   2HH2  ARG   9          2HH2      ARG   9   1.697  -5.502   6.626
  102    QB   ARG   9           QB       ARG   9   0.727  -5.664   0.932
  103    QG   ARG   9           QG       ARG   9   1.477  -7.990   1.004
  104    QD   ARG   9           QD       ARG   9   3.003  -7.014   2.395
  105    QH1  ARG   9           QH1      ARG   9   3.973  -5.932   4.903
  106    QH2  ARG   9           QH2      ARG   9   1.011  -5.730   6.170
  107    H    ILE  10           H        ILE  10   0.409  -4.685  -2.063
  108    HA   ILE  10           HA       ILE  10  -1.637  -2.887  -1.381
  109    HB   ILE  10           HB       ILE  10   0.060  -2.984  -3.896
  110   1HG1  ILE  10          2HG1      ILE  10   0.344  -1.430  -1.337
  111   2HG1  ILE  10          1HG1      ILE  10   1.309  -2.819  -1.779
  112   1HG2  ILE  10          3HG2      ILE  10  -1.954  -1.628  -4.228
  113   2HG2  ILE  10          2HG2      ILE  10  -1.597  -0.715  -2.761
  114   3HG2  ILE  10          1HG2      ILE  10  -0.518  -0.605  -4.154
  115   1HD1  ILE  10          3HD1      ILE  10   1.264  -0.180  -3.218
  116   2HD1  ILE  10          2HD1      ILE  10   2.535  -0.757  -2.139
  117   3HD1  ILE  10          1HD1      ILE  10   2.239  -1.577  -3.671
  118    MG   ILE  10           QG2      ILE  10  -1.356  -0.982  -3.714
  119    MD   ILE  10           QD1      ILE  10   2.013  -0.838  -3.010
  120    QG   ILE  10           QG1      ILE  10   0.827  -2.125  -1.558
  121    H    GLU  11           H        GLU  11  -1.290  -5.087  -4.158
  122    HA   GLU  11           HA       GLU  11  -3.801  -4.429  -5.268
  123   1HB   GLU  11          2HB       GLU  11  -2.028  -6.822  -5.673
  124   2HB   GLU  11          1HB       GLU  11  -3.563  -6.641  -6.513
  125   1HG   GLU  11          2HG       GLU  11  -2.753  -4.498  -7.441
  126   2HG   GLU  11          1HG       GLU  11  -1.199  -4.788  -6.668
  127    QB   GLU  11           QB       GLU  11  -2.796  -6.731  -6.093
  128    QG   GLU  11           QG       GLU  11  -1.976  -4.643  -7.055
  129    H    ALA  12           H        ALA  12  -2.888  -6.715  -2.839
  130    HA   ALA  12           HA       ALA  12  -5.359  -8.081  -2.754
  131   1HB   ALA  12          1HB       ALA  12  -3.317  -8.972  -1.699
  132   2HB   ALA  12          2HB       ALA  12  -4.651  -8.873  -0.550
  133   3HB   ALA  12          3HB       ALA  12  -3.368  -7.666  -0.515
  134    MB   ALA  12           QB       ALA  12  -3.778  -8.503  -0.921
  135    H    LYS  13           H        LYS  13  -4.216  -5.092  -1.244
  136    HA   LYS  13           HA       LYS  13  -6.619  -4.900   0.325
  137   1HB   LYS  13          2HB       LYS  13  -4.467  -2.827  -0.118
  138   2HB   LYS  13          1HB       LYS  13  -5.859  -2.597   0.927
  139   1HG   LYS  13          2HG       LYS  13  -5.039  -4.677   2.163
  140   2HG   LYS  13          1HG       LYS  13  -3.525  -4.436   1.287
  141   1HD   LYS  13          2HD       LYS  13  -3.438  -2.121   2.170
  142   2HD   LYS  13          1HD       LYS  13  -4.890  -2.453   3.107
  143   1HE   LYS  13          2HE       LYS  13  -3.650  -4.347   4.188
  144   2HE   LYS  13          1HE       LYS  13  -2.198  -3.771   3.377
  145   1HZ   LYS  13          1HZ       LYS  13  -2.489  -1.614   4.583
  146   2HZ   LYS  13          3HZ       LYS  13  -3.813  -2.295   5.390
  147   3HZ   LYS  13          2HZ       LYS  13  -2.295  -2.933   5.603
  148    QB   LYS  13           QB       LYS  13  -5.163  -2.712   0.404
  149    QD   LYS  13           QD       LYS  13  -4.164  -2.287   2.638
  150    QG   LYS  13           QG       LYS  13  -4.282  -4.557   1.725
  151    QE   LYS  13           QE       LYS  13  -2.924  -4.059   3.783
  152    QZ   LYS  13           QZ       LYS  13  -2.866  -2.281   5.192
  153    H    LYS  14           H        LYS  14  -5.461  -3.725  -2.682
  154    HA   LYS  14           HA       LYS  14  -7.481  -1.895  -3.271
  155   1HB   LYS  14          2HB       LYS  14  -5.803  -3.670  -5.012
  156   2HB   LYS  14          1HB       LYS  14  -7.009  -2.587  -5.690
  157   1HG   LYS  14          2HG       LYS  14  -5.876  -0.687  -4.803
  158   2HG   LYS  14          1HG       LYS  14  -4.753  -1.727  -3.922
  159   1HD   LYS  14          2HD       LYS  14  -3.756  -2.494  -5.828
  160   2HD   LYS  14          1HD       LYS  14  -5.032  -1.895  -6.901
  161   1HE   LYS  14          2HE       LYS  14  -3.103  -0.219  -5.287
  162   2HE   LYS  14          1HE       LYS  14  -3.017  -0.503  -7.031
  163   1HZ   LYS  14          2HZ       LYS  14  -5.175   0.567  -7.241
  164   2HZ   LYS  14          1HZ       LYS  14  -5.225   0.931  -5.618
  165   3HZ   LYS  14          3HZ       LYS  14  -4.072   1.638  -6.635
  166    QB   LYS  14           QB       LYS  14  -6.406  -3.129  -5.351
  167    QD   LYS  14           QD       LYS  14  -4.394  -2.195  -6.365
  168    QG   LYS  14           QG       LYS  14  -5.315  -1.207  -4.362
  169    QE   LYS  14           QE       LYS  14  -3.060  -0.361  -6.159
  170    QZ   LYS  14           QZ       LYS  14  -4.824   1.046  -6.498
  171    H    LYS  15           H        LYS  15  -7.350  -5.396  -3.837
  172    HA   LYS  15           HA       LYS  15  -9.956  -5.420  -4.959
  173   1HB   LYS  15          2HB       LYS  15  -9.782  -7.779  -5.093
  174   2HB   LYS  15          1HB       LYS  15  -8.205  -7.121  -5.438
  175   1HG   LYS  15          2HG       LYS  15  -7.758  -8.965  -4.170
  176   2HG   LYS  15          1HG       LYS  15  -7.639  -7.647  -3.011
  177   1HD   LYS  15          2HD       LYS  15  -8.808  -9.552  -2.072
  178   2HD   LYS  15          1HD       LYS  15  -9.863  -8.156  -2.178
  179   1HE   LYS  15          2HE       LYS  15 -10.987 -10.270  -2.864
  180   2HE   LYS  15          1HE       LYS  15 -10.977  -9.054  -4.131
  181   1HZ   LYS  15          1HZ       LYS  15  -9.111 -11.373  -3.960
  182   2HZ   LYS  15          3HZ       LYS  15 -10.444 -11.257  -4.970
  183   3HZ   LYS  15          2HZ       LYS  15  -9.144 -10.239  -5.198
  184    QB   LYS  15           QB       LYS  15  -8.993  -7.450  -5.265
  185    QD   LYS  15           QD       LYS  15  -9.335  -8.854  -2.125
  186    QG   LYS  15           QG       LYS  15  -7.699  -8.306  -3.591
  187    QE   LYS  15           QE       LYS  15 -10.982  -9.662  -3.498
  188    QZ   LYS  15           QZ       LYS  15  -9.566 -10.956  -4.710
  189    H    GLU  16           H        GLU  16  -8.762  -5.630  -1.759
  190    HA   GLU  16           HA       GLU  16 -11.107  -6.552  -0.449
  191   1HB   GLU  16          2HB       GLU  16  -8.765  -6.336   0.522
  192   2HB   GLU  16          1HB       GLU  16  -9.032  -4.607   0.587
  193   1HG   GLU  16          2HG       GLU  16  -9.397  -5.484   2.760
  194   2HG   GLU  16          1HG       GLU  16 -10.964  -5.029   2.096
  195    QB   GLU  16           QB       GLU  16  -8.898  -5.472   0.554
  196    QG   GLU  16           QG       GLU  16 -10.180  -5.256   2.428
  197    H    LEU  17           H        LEU  17  -9.779  -3.380  -1.237
  198    HA   LEU  17           HA       LEU  17 -11.847  -1.831  -0.193
  199   1HB   LEU  17          2HB       LEU  17  -9.564  -1.030  -0.773
  200   2HB   LEU  17          1HB       LEU  17  -9.983  -1.160  -2.466
  201    HG   LEU  17           HG       LEU  17 -11.711   0.575  -2.156
  202   1HD1  LEU  17          3HD1      LEU  17 -10.613   0.691   0.642
  203   2HD1  LEU  17          2HD1      LEU  17 -11.731   1.862  -0.050
  204   3HD1  LEU  17          1HD1      LEU  17 -12.235   0.187   0.187
  205   1HD2  LEU  17          2HD2      LEU  17  -9.450   1.195  -2.869
  206   2HD2  LEU  17          1HD2      LEU  17 -10.178   2.452  -1.862
  207   3HD2  LEU  17          3HD2      LEU  17  -8.967   1.364  -1.180
  208    MD1  LEU  17           QD1      LEU  17 -11.526   0.914   0.259
  209    MD2  LEU  17           QD2      LEU  17  -9.532   1.671  -1.970
  210    QB   LEU  17           QB       LEU  17  -9.773  -1.095  -1.620
  211    QD   LEU  17           QQD      LEU  17 -10.529   1.292  -0.855
  212    H    ILE  18           H        ILE  18 -11.321  -3.179  -3.427
  213    HA   ILE  18           HA       ILE  18 -13.552  -2.044  -4.701
  214    HB   ILE  18           HB       ILE  18 -12.265  -4.753  -5.218
  215   1HG1  ILE  18          2HG1      ILE  18 -11.950  -2.105  -6.657
  216   2HG1  ILE  18          1HG1      ILE  18 -10.788  -2.801  -5.538
  217   1HG2  ILE  18          3HG2      ILE  18 -14.538  -4.752  -6.108
  218   2HG2  ILE  18          2HG2      ILE  18 -14.215  -3.241  -6.962
  219   3HG2  ILE  18          1HG2      ILE  18 -13.358  -4.710  -7.422
  220   1HD1  ILE  18          1HD1      ILE  18 -11.617  -3.976  -8.187
  221   2HD1  ILE  18          3HD1      ILE  18 -10.111  -3.123  -7.853
  222   3HD1  ILE  18          2HD1      ILE  18 -10.434  -4.671  -7.078
  223    MG   ILE  18           QG2      ILE  18 -14.037  -4.234  -6.831
  224    MD   ILE  18           QD1      ILE  18 -10.721  -3.923  -7.706
  225    QG   ILE  18           QG1      ILE  18 -11.369  -2.453  -6.098
  226    H    TYR  19           H        TYR  19 -13.247  -5.094  -2.957
  227    HA   TYR  19           HA       TYR  19 -15.822  -6.104  -3.087
  228   1HB   TYR  19          2HB       TYR  19 -13.897  -7.294  -2.150
  229   2HB   TYR  19          1HB       TYR  19 -13.803  -6.147  -0.834
  230    HD1  TYR  19          1HD       TYR  19 -15.457  -6.253   1.009
  231    HD2  TYR  19          2HD       TYR  19 -15.431  -9.121  -2.119
  232    HE1  TYR  19          1HE       TYR  19 -16.797  -7.770   2.401
  233    HE2  TYR  19          2HE       TYR  19 -16.781 -10.648  -0.735
  234    HH   TYR  19           HH       TYR  19 -17.171 -11.011   1.673
  235    QB   TYR  19           QB       TYR  19 -13.850  -6.721  -1.492
  236    QD   TYR  19           QD       TYR  19 -15.444  -7.687  -0.555
  237    QE   TYR  19           QE       TYR  19 -16.789  -9.209   0.833
  238    QR   TYR  19           QR       TYR  19 -16.116  -8.448   0.139
  239    H    LEU  20           H        LEU  20 -14.428  -3.786  -0.837
  240    HA   LEU  20           HA       LEU  20 -16.696  -3.400   0.780
  241   1HB   LEU  20          2HB       LEU  20 -14.464  -1.442   0.252
  242   2HB   LEU  20          1HB       LEU  20 -15.597  -1.426   1.587
  243    HG   LEU  20           HG       LEU  20 -13.489  -3.534   1.134
  244   1HD1  LEU  20          1HD1      LEU  20 -12.539  -1.390   1.738
  245   2HD1  LEU  20          3HD1      LEU  20 -13.631  -1.291   3.118
  246   3HD1  LEU  20          2HD1      LEU  20 -12.399  -2.552   3.052
  247   1HD2  LEU  20          1HD2      LEU  20 -15.368  -3.084   3.442
  248   2HD2  LEU  20          3HD2      LEU  20 -15.437  -4.422   2.288
  249   3HD2  LEU  20          2HD2      LEU  20 -14.064  -4.273   3.385
  250    MD1  LEU  20           QD1      LEU  20 -12.856  -1.744   2.636
  251    MD2  LEU  20           QD2      LEU  20 -14.956  -3.927   3.038
  252    QB   LEU  20           QB       LEU  20 -15.031  -1.434   0.919
  253    QD   LEU  20           QQD      LEU  20 -13.906  -2.835   2.837
  254    H    VAL  21           H        VAL  21 -15.463  -1.640  -2.033
  255    HA   VAL  21           HA       VAL  21 -17.443   0.371  -2.042
  256    HB   VAL  21           HB       VAL  21 -15.783  -0.663  -4.377
  257   1HG1  VAL  21          3HG1      VAL  21 -17.768   0.528  -5.183
  258   2HG1  VAL  21          2HG1      VAL  21 -17.374   1.897  -4.147
  259   3HG1  VAL  21          1HG1      VAL  21 -16.306   1.469  -5.486
  260   1HG2  VAL  21          2HG2      VAL  21 -14.431   0.251  -2.567
  261   2HG2  VAL  21          1HG2      VAL  21 -14.391   1.313  -3.974
  262   3HG2  VAL  21          3HG2      VAL  21 -15.391   1.730  -2.584
  263    MG1  VAL  21           QG1      VAL  21 -17.150   1.298  -4.938
  264    MG2  VAL  21           QG2      VAL  21 -14.738   1.098  -3.042
  265    QG   VAL  21           QQG      VAL  21 -15.944   1.198  -3.990
  266    H    GLU  22           H        GLU  22 -17.301  -2.796  -3.556
  267    HA   GLU  22           HA       GLU  22 -19.677  -2.591  -5.056
  268   1HB   GLU  22          2HB       GLU  22 -18.460  -5.058  -3.798
  269   2HB   GLU  22          1HB       GLU  22 -19.712  -5.061  -5.024
  270   1HG   GLU  22          2HG       GLU  22 -18.147  -4.005  -6.595
  271   2HG   GLU  22          1HG       GLU  22 -16.899  -4.055  -5.352
  272    QB   GLU  22           QB       GLU  22 -19.086  -5.059  -4.411
  273    QG   GLU  22           QG       GLU  22 -17.523  -4.030  -5.974
  274    H    LYS  23           H        LYS  23 -19.084  -3.856  -1.813
  275    HA   LYS  23           HA       LYS  23 -21.859  -4.509  -1.452
  276   1HB   LYS  23          2HB       LYS  23 -19.547  -4.658   0.452
  277   2HB   LYS  23          1HB       LYS  23 -21.159  -5.245   0.811
  278   1HG   LYS  23          2HG       LYS  23 -19.340  -6.254  -1.372
  279   2HG   LYS  23          1HG       LYS  23 -19.672  -7.063   0.155
  280   1HD   LYS  23          2HD       LYS  23 -21.660  -6.488  -2.056
  281   2HD   LYS  23          1HD       LYS  23 -20.974  -8.056  -1.652
  282   1HE   LYS  23          2HE       LYS  23 -22.051  -7.930   0.571
  283   2HE   LYS  23          1HE       LYS  23 -22.754  -6.381   0.125
  284   1HZ   LYS  23          2HZ       LYS  23 -23.899  -7.555  -1.715
  285   2HZ   LYS  23          1HZ       LYS  23 -23.296  -9.006  -1.115
  286   3HZ   LYS  23          3HZ       LYS  23 -24.341  -8.095  -0.159
  287    QB   LYS  23           QB       LYS  23 -20.353  -4.951   0.632
  288    QD   LYS  23           QD       LYS  23 -21.317  -7.272  -1.854
  289    QG   LYS  23           QG       LYS  23 -19.506  -6.659  -0.609
  290    QE   LYS  23           QE       LYS  23 -22.402  -7.155   0.348
  291    QZ   LYS  23           QZ       LYS  23 -23.845  -8.219  -0.997
  292    H    TYR  24           H        TYR  24 -19.729  -2.076   0.003
  293    HA   TYR  24           HA       TYR  24 -22.037  -1.124   1.535
  294   1HB   TYR  24          2HB       TYR  24 -19.151  -0.255   1.751
  295   2HB   TYR  24          1HB       TYR  24 -20.453   0.136   2.865
  296    HD1  TYR  24          1HD       TYR  24 -17.828  -2.130   2.086
  297    HD2  TYR  24          2HD       TYR  24 -21.516  -1.828   4.151
  298    HE1  TYR  24          1HE       TYR  24 -17.237  -4.114   3.411
  299    HE2  TYR  24          2HE       TYR  24 -20.929  -3.816   5.491
  300    HH   TYR  24           HH       TYR  24 -19.458  -5.786   5.258
  301    QB   TYR  24           QB       TYR  24 -19.802  -0.060   2.308
  302    QD   TYR  24           QD       TYR  24 -19.672  -1.979   3.118
  303    QE   TYR  24           QE       TYR  24 -19.083  -3.965   4.451
  304    QR   TYR  24           QR       TYR  24 -19.377  -2.972   3.785
  305    H    GLY  25           H        GLY  25 -19.584  -0.081  -0.716
  306   1HA   GLY  25          1HA       GLY  25 -21.100   2.404  -1.157
  307   2HA   GLY  25          2HA       GLY  25 -20.323   1.496  -2.455
  308    QA   GLY  25           QA       GLY  25 -20.711   1.950  -1.806
  309    H    PHE  26           H        PHE  26 -19.692   4.136  -2.048
  310    HA   PHE  26           HA       PHE  26 -16.991   3.909  -0.928
  311   1HB   PHE  26          2HB       PHE  26 -16.309   5.649  -2.600
  312   2HB   PHE  26          1HB       PHE  26 -16.774   4.106  -3.296
  313    HD1  PHE  26          1HD       PHE  26 -17.688   7.637  -2.907
  314    HD2  PHE  26          2HD       PHE  26 -18.747   3.914  -4.680
  315    HE1  PHE  26          1HE       PHE  26 -19.252   8.800  -4.408
  316    HE2  PHE  26          2HE       PHE  26 -20.311   5.070  -6.178
  317    HZ   PHE  26           HZ       PHE  26 -20.561   7.513  -6.048
  318    QB   PHE  26           QB       PHE  26 -16.541   4.878  -2.948
  319    QD   PHE  26           QD       PHE  26 -18.217   5.775  -3.794
  320    QE   PHE  26           QE       PHE  26 -19.782   6.935  -5.293
  321    QR   PHE  26           QR       PHE  26 -19.312   6.587  -4.844
  322    H    THR  27           H        THR  27 -19.863   5.199  -0.250
  323    HA   THR  27           HA       THR  27 -18.827   7.730   0.766
  324    HB   THR  27           HB       THR  27 -21.671   6.641   0.832
  325    HG1  THR  27          1HG       THR  27 -21.807   8.219  -1.016
  326   1HG2  THR  27          3HG2      THR  27 -21.232   8.539   2.364
  327   2HG2  THR  27          2HG2      THR  27 -20.598   9.474   1.011
  328   3HG2  THR  27          1HG2      THR  27 -22.301   9.017   1.043
  329    MG   THR  27           QG2      THR  27 -21.377   9.010   1.473
  330    H    HIS  28           H        HIS  28 -18.952   4.630   1.633
  331    HA   HIS  28           HA       HIS  28 -19.794   4.800   4.366
  332   1HB   HIS  28          2HB       HIS  28 -20.017   2.771   2.862
  333   2HB   HIS  28          1HB       HIS  28 -18.277   2.584   2.968
  334    HD1  HIS  28          1HD       HIS  28 -21.387   2.404   5.110
  335    HD2  HIS  28          2HD       HIS  28 -17.412   1.234   5.155
  336    HE1  HIS  28          1HE       HIS  28 -21.149   0.849   7.067
  337    QB   HIS  28           QB       HIS  28 -19.147   2.677   2.915
  338    H    HIS  29           H        HIS  29 -18.523   5.186   6.073
  339    HA   HIS  29           HA       HIS  29 -16.241   6.704   5.745
  340   1HB   HIS  29          2HB       HIS  29 -17.732   6.936   7.664
  341   2HB   HIS  29          1HB       HIS  29 -17.220   5.381   8.286
  342    HD1  HIS  29          1HD       HIS  29 -15.798   5.825  10.308
  343    HD2  HIS  29          2HD       HIS  29 -15.068   8.539   7.251
  344    HE1  HIS  29          1HE       HIS  29 -14.036   7.396  11.177
  345    QB   HIS  29           QB       HIS  29 -17.476   6.158   7.975
  346    H    LYS  30           H        LYS  30 -16.291   3.292   6.873
  347    HA   LYS  30           HA       LYS  30 -13.489   3.351   7.135
  348   1HB   LYS  30          2HB       LYS  30 -13.501   0.867   7.289
  349   2HB   LYS  30          1HB       LYS  30 -14.497   1.692   8.461
  350   1HG   LYS  30          2HG       LYS  30 -16.496   1.045   7.197
  351   2HG   LYS  30          1HG       LYS  30 -15.461   0.263   5.993
  352   1HD   LYS  30          2HD       LYS  30 -14.591  -1.252   7.609
  353   2HD   LYS  30          1HD       LYS  30 -15.402  -0.387   8.906
  354   1HE   LYS  30          2HE       LYS  30 -16.854  -1.834   6.680
  355   2HE   LYS  30          1HE       LYS  30 -16.509  -2.549   8.252
  356   1HZ   LYS  30          1HZ       LYS  30 -17.809  -0.698   9.253
  357   2HZ   LYS  30          3HZ       LYS  30 -18.255  -0.194   7.710
  358   3HZ   LYS  30          2HZ       LYS  30 -18.721  -1.699   8.277
  359    QB   LYS  30           QB       LYS  30 -13.999   1.279   7.875
  360    QD   LYS  30           QD       LYS  30 -14.996  -0.819   8.258
  361    QG   LYS  30           QG       LYS  30 -15.978   0.654   6.595
  362    QE   LYS  30           QE       LYS  30 -16.681  -2.191   7.466
  363    QZ   LYS  30           QZ       LYS  30 -18.262  -0.864   8.413
  364    H    VAL  31           H        VAL  31 -15.421   2.865   4.398
  365    HA   VAL  31           HA       VAL  31 -13.459   1.555   2.802
  366    HB   VAL  31           HB       VAL  31 -15.808   3.287   1.941
  367   1HG1  VAL  31          1HG1      VAL  31 -14.201   1.280   0.365
  368   2HG1  VAL  31          3HG1      VAL  31 -15.640   2.118  -0.212
  369   3HG1  VAL  31          2HG1      VAL  31 -14.171   3.031   0.142
  370   1HG2  VAL  31          2HG2      VAL  31 -15.541   0.332   2.356
  371   2HG2  VAL  31          1HG2      VAL  31 -16.551   1.427   3.269
  372   3HG2  VAL  31          3HG2      VAL  31 -16.937   1.089   1.573
  373    MG1  VAL  31           QG1      VAL  31 -14.671   2.143   0.098
  374    MG2  VAL  31           QG2      VAL  31 -16.343   0.949   2.400
  375    QG   VAL  31           QQG      VAL  31 -15.507   1.546   1.249
  376    H    ILE  32           H        ILE  32 -14.386   4.894   3.365
  377    HA   ILE  32           HA       ILE  32 -12.494   6.096   1.629
  378    HB   ILE  32           HB       ILE  32 -13.699   7.235   4.179
  379   1HG1  ILE  32          2HG1      ILE  32 -14.678   7.493   1.321
  380   2HG1  ILE  32          1HG1      ILE  32 -15.397   6.438   2.532
  381   1HG2  ILE  32          1HG2      ILE  32 -11.745   8.484   3.364
  382   2HG2  ILE  32          3HG2      ILE  32 -12.495   8.629   1.778
  383   3HG2  ILE  32          2HG2      ILE  32 -13.224   9.430   3.172
  384   1HD1  ILE  32          3HD1      ILE  32 -15.252   9.440   2.654
  385   2HD1  ILE  32          2HD1      ILE  32 -16.677   8.484   2.247
  386   3HD1  ILE  32          1HD1      ILE  32 -15.988   8.395   3.868
  387    MG   ILE  32           QG2      ILE  32 -12.488   8.848   2.771
  388    MD   ILE  32           QD1      ILE  32 -15.972   8.773   2.923
  389    QG   ILE  32           QG1      ILE  32 -15.037   6.966   1.926
  390    H    SER  33           H        SER  33 -12.436   5.044   4.959
  391    HA   SER  33           HA       SER  33  -9.980   6.087   5.733
  392   1HB   SER  33          2HB       SER  33 -11.678   5.120   7.293
  393   2HB   SER  33          1HB       SER  33 -11.278   3.517   6.692
  394    HG   SER  33           HG       SER  33  -9.391   5.271   7.870
  395    QB   SER  33           QB       SER  33 -11.478   4.318   6.993
  396    H    PHE  34           H        PHE  34 -10.766   2.907   4.284
  397    HA   PHE  34           HA       PHE  34  -8.086   2.027   4.180
  398   1HB   PHE  34          2HB       PHE  34 -10.489   1.162   2.602
  399   2HB   PHE  34          1HB       PHE  34  -8.905   0.431   2.376
  400    HD1  PHE  34          1HD       PHE  34  -7.818  -0.564   4.516
  401    HD2  PHE  34          2HD       PHE  34 -11.941   0.320   4.109
  402    HE1  PHE  34          1HE       PHE  34  -8.330  -2.168   6.305
  403    HE2  PHE  34          2HE       PHE  34 -12.486  -1.243   5.862
  404    HZ   PHE  34           HZ       PHE  34 -10.671  -2.520   7.002
  405    QB   PHE  34           QB       PHE  34  -9.697   0.797   2.489
  406    QD   PHE  34           QD       PHE  34  -9.879  -0.122   4.313
  407    QE   PHE  34           QE       PHE  34 -10.408  -1.705   6.083
  408    QR   PHE  34           QR       PHE  34 -10.249  -1.235   5.559
  409    H    SER  35           H        SER  35  -9.961   4.028   2.013
  410    HA   SER  35           HA       SER  35  -8.275   3.811  -0.213
  411   1HB   SER  35          2HB       SER  35 -10.554   4.861  -0.259
  412   2HB   SER  35          1HB       SER  35  -9.898   6.241   0.617
  413    HG   SER  35           HG       SER  35  -9.520   5.446  -2.033
  414    QB   SER  35           QB       SER  35 -10.226   5.551   0.179
  415    H    GLN  36           H        GLN  36  -8.104   5.806   2.676
  416    HA   GLN  36           HA       GLN  36  -5.886   7.423   1.994
  417   1HB   GLN  36          2HB       GLN  36  -6.614   6.335   4.711
  418   2HB   GLN  36          1HB       GLN  36  -5.584   7.713   4.404
  419   1HG   GLN  36          2HG       GLN  36  -8.531   7.519   3.827
  420   2HG   GLN  36          1HG       GLN  36  -7.786   8.392   5.159
  421   1HE2  GLN  36          1HE2      GLN  36  -9.507   9.320   3.095
  422   2HE2  GLN  36          2HE2      GLN  36  -8.683  10.562   2.230
  423    QB   GLN  36           QB       GLN  36  -6.099   7.024   4.558
  424    QG   GLN  36           QG       GLN  36  -8.159   7.955   4.493
  425    QE   GLN  36           QE2      GLN  36  -9.095   9.941   2.663
  426    H    GLU  37           H        GLU  37  -6.191   4.240   3.451
  427    HA   GLU  37           HA       GLU  37  -3.470   3.815   4.055
  428   1HB   GLU  37          2HB       GLU  37  -5.756   1.905   3.611
  429   2HB   GLU  37          1HB       GLU  37  -4.157   1.378   4.107
  430   1HG   GLU  37          2HG       GLU  37  -5.903   3.300   5.629
  431   2HG   GLU  37          1HG       GLU  37  -5.698   1.588   5.996
  432    QB   GLU  37           QB       GLU  37  -4.956   1.641   3.859
  433    QG   GLU  37           QG       GLU  37  -5.801   2.444   5.812
  434    H    LEU  38           H        LEU  38  -5.444   2.913   1.289
  435    HA   LEU  38           HA       LEU  38  -3.378   1.649  -0.130
  436   1HB   LEU  38          2HB       LEU  38  -6.014   2.775  -0.954
  437   2HB   LEU  38          1HB       LEU  38  -4.838   2.419  -2.199
  438    HG   LEU  38           HG       LEU  38  -6.392   0.596  -2.007
  439   1HD1  LEU  38          3HD1      LEU  38  -4.092   0.063  -2.561
  440   2HD1  LEU  38          2HD1      LEU  38  -3.727  -0.188  -0.856
  441   3HD1  LEU  38          1HD1      LEU  38  -4.864  -1.251  -1.672
  442   1HD2  LEU  38          1HD2      LEU  38  -7.099   0.904   0.320
  443   2HD2  LEU  38          3HD2      LEU  38  -6.601  -0.759   0.016
  444   3HD2  LEU  38          2HD2      LEU  38  -5.523   0.345   0.874
  445    MD1  LEU  38           QD1      LEU  38  -4.228  -0.459  -1.696
  446    MD2  LEU  38           QD2      LEU  38  -6.408   0.163   0.403
  447    QB   LEU  38           QB       LEU  38  -5.426   2.597  -1.577
  448    QD   LEU  38           QQD      LEU  38  -5.318  -0.148  -0.646
  449    H    ASP  39           H        ASP  39  -4.403   4.996  -0.063
  450    HA   ASP  39           HA       ASP  39  -2.723   6.031  -2.059
  451   1HB   ASP  39          2HB       ASP  39  -4.474   7.372  -0.988
  452   2HB   ASP  39          1HB       ASP  39  -3.612   7.300   0.543
  453    QB   ASP  39           QB       ASP  39  -4.043   7.336  -0.222
  454    H    ARG  40           H        ARG  40  -2.168   5.533   1.358
  455    HA   ARG  40           HA       ARG  40   0.473   6.433   1.531
  456   1HB   ARG  40          2HB       ARG  40  -1.036   4.375   3.115
  457   2HB   ARG  40          1HB       ARG  40   0.599   4.870   3.513
  458   1HG   ARG  40          2HG       ARG  40  -0.111   7.124   3.858
  459   2HG   ARG  40          1HG       ARG  40  -1.754   6.725   3.348
  460   1HD   ARG  40          2HD       ARG  40  -2.095   5.345   5.247
  461   2HD   ARG  40          1HD       ARG  40  -0.378   5.387   5.657
  462    HE   ARG  40           HE       ARG  40  -1.183   7.977   5.668
  463   1HH1  ARG  40          1HH1      ARG  40  -2.446   5.106   7.339
  464   2HH1  ARG  40          2HH1      ARG  40  -2.617   5.888   8.834
  465   1HH2  ARG  40          1HH2      ARG  40  -1.525   9.069   7.742
  466   2HH2  ARG  40          2HH2      ARG  40  -2.110   8.195   9.065
  467    QB   ARG  40           QB       ARG  40  -0.218   4.622   3.314
  468    QG   ARG  40           QG       ARG  40  -0.932   6.924   3.603
  469    QD   ARG  40           QD       ARG  40  -1.236   5.366   5.452
  470    QH1  ARG  40           QH1      ARG  40  -2.532   5.497   8.087
  471    QH2  ARG  40           QH2      ARG  40  -1.818   8.632   8.403
  472    H    LEU  41           H        LEU  41  -0.791   3.233   0.812
  473    HA   LEU  41           HA       LEU  41   1.733   1.970   0.592
  474   1HB   LEU  41          2HB       LEU  41  -0.913   1.164  -0.600
  475   2HB   LEU  41          1HB       LEU  41   0.547   0.193  -0.517
  476    HG   LEU  41           HG       LEU  41  -1.001   1.161   1.884
  477   1HD1  LEU  41          2HD1      LEU  41  -0.902  -1.550   0.577
  478   2HD1  LEU  41          1HD1      LEU  41  -1.645  -1.179   2.135
  479   3HD1  LEU  41          3HD1      LEU  41  -2.293  -0.459   0.660
  480   1HD2  LEU  41          3HD2      LEU  41   1.312  -0.764   1.639
  481   2HD2  LEU  41          2HD2      LEU  41   1.360   0.842   2.367
  482   3HD2  LEU  41          1HD2      LEU  41   0.406  -0.434   3.114
  483    MD1  LEU  41           QD1      LEU  41  -1.614  -1.063   1.124
  484    MD2  LEU  41           QD2      LEU  41   1.026  -0.119   2.374
  485    QB   LEU  41           QB       LEU  41  -0.183   0.679  -0.559
  486    QD   LEU  41           QQD      LEU  41  -0.294  -0.591   1.749
  487    H    LEU  42           H        LEU  42  -0.406   3.436  -1.780
  488    HA   LEU  42           HA       LEU  42   1.079   2.858  -4.092
  489   1HB   LEU  42          2HB       LEU  42  -0.573   5.298  -3.467
  490   2HB   LEU  42          1HB       LEU  42   0.005   4.877  -5.066
  491    HG   LEU  42           HG       LEU  42  -1.900   3.217  -3.419
  492   1HD1  LEU  42          1HD1      LEU  42  -2.879   5.319  -4.127
  493   2HD1  LEU  42          3HD1      LEU  42  -2.408   4.977  -5.792
  494   3HD1  LEU  42          2HD1      LEU  42  -3.590   3.946  -4.983
  495   1HD2  LEU  42          3HD2      LEU  42  -0.969   2.938  -6.274
  496   2HD2  LEU  42          2HD2      LEU  42  -0.569   1.869  -4.930
  497   3HD2  LEU  42          1HD2      LEU  42  -2.232   1.970  -5.506
  498    MD1  LEU  42           QD1      LEU  42  -2.959   4.747  -4.967
  499    MD2  LEU  42           QD2      LEU  42  -1.257   2.259  -5.570
  500    QB   LEU  42           QB       LEU  42  -0.284   5.088  -4.266
  501    QD   LEU  42           QQD      LEU  42  -2.108   3.503  -5.269
  502    H    ASN  43           H        ASN  43   1.426   5.358  -1.726
  503    HA   ASN  43           HA       ASN  43   3.527   6.730  -3.054
  504   1HB   ASN  43          2HB       ASN  43   2.499   6.852  -0.251
  505   2HB   ASN  43          1HB       ASN  43   4.047   7.595  -0.638
  506   1HD2  ASN  43          1HD2      ASN  43   0.596   7.707  -1.182
  507   2HD2  ASN  43          2HD2      ASN  43   0.590   9.263  -1.900
  508    QB   ASN  43           QB       ASN  43   3.273   7.223  -0.444
  509    QD   ASN  43           QD2      ASN  43   0.593   8.485  -1.541
  510    H    LEU  44           H        LEU  44   3.494   3.825  -1.332
  511    HA   LEU  44           HA       LEU  44   6.295   3.824  -0.726
  512   1HB   LEU  44          2HB       LEU  44   4.337   1.535  -0.963
  513   2HB   LEU  44          1HB       LEU  44   5.978   1.392  -0.355
  514    HG   LEU  44           HG       LEU  44   3.767   2.990   0.943
  515   1HD1  LEU  44          1HD1      LEU  44   3.416   0.570   1.086
  516   2HD1  LEU  44          3HD1      LEU  44   5.037   0.381   1.753
  517   3HD1  LEU  44          2HD1      LEU  44   3.813   1.273   2.654
  518   1HD2  LEU  44          2HD2      LEU  44   6.576   2.378   1.823
  519   2HD2  LEU  44          1HD2      LEU  44   5.940   3.961   1.376
  520   3HD2  LEU  44          3HD2      LEU  44   5.334   3.139   2.817
  521    MD1  LEU  44           QD1      LEU  44   4.089   0.741   1.831
  522    MD2  LEU  44           QD2      LEU  44   5.950   3.159   2.006
  523    QB   LEU  44           QB       LEU  44   5.157   1.464  -0.659
  524    QD   LEU  44           QQD      LEU  44   5.019   1.950   1.918
  525    H    LEU  45           H        LEU  45   4.223   2.578  -3.298
  526    HA   LEU  45           HA       LEU  45   6.247   1.459  -4.904
  527   1HB   LEU  45          2HB       LEU  45   3.641   2.737  -5.741
  528   2HB   LEU  45          1HB       LEU  45   4.678   1.823  -6.815
  529    HG   LEU  45           HG       LEU  45   3.230   0.723  -4.403
  530   1HD1  LEU  45          1HD1      LEU  45   2.741   0.353  -7.353
  531   2HD1  LEU  45          3HD1      LEU  45   1.888  -0.481  -6.055
  532   3HD1  LEU  45          2HD1      LEU  45   1.726   1.267  -6.238
  533   1HD2  LEU  45          3HD2      LEU  45   4.945  -0.659  -6.476
  534   2HD2  LEU  45          2HD2      LEU  45   5.329  -0.460  -4.766
  535   3HD2  LEU  45          1HD2      LEU  45   3.972  -1.471  -5.250
  536    MD1  LEU  45           QD1      LEU  45   2.119   0.380  -6.549
  537    MD2  LEU  45           QD2      LEU  45   4.749  -0.864  -5.497
  538    QB   LEU  45           QB       LEU  45   4.159   2.280  -6.278
  539    QD   LEU  45           QQD      LEU  45   3.434  -0.242  -6.023
  540    H    ILE  46           H        ILE  46   4.964   4.728  -4.680
  541    HA   ILE  46           HA       ILE  46   6.370   5.951  -6.737
  542    HB   ILE  46           HB       ILE  46   5.459   7.035  -4.067
  543   1HG1  ILE  46          2HG1      ILE  46   4.313   7.269  -6.854
  544   2HG1  ILE  46          1HG1      ILE  46   3.704   6.238  -5.572
  545   1HG2  ILE  46          2HG2      ILE  46   6.517   8.610  -6.415
  546   2HG2  ILE  46          1HG2      ILE  46   5.742   9.299  -4.986
  547   3HG2  ILE  46          3HG2      ILE  46   7.269   8.431  -4.828
  548   1HD1  ILE  46          2HD1      ILE  46   3.147   8.224  -4.256
  549   2HD1  ILE  46          1HD1      ILE  46   3.763   9.240  -5.559
  550   3HD1  ILE  46          3HD1      ILE  46   2.350   8.220  -5.830
  551    MG   ILE  46           QG2      ILE  46   6.509   8.780  -5.410
  552    MD   ILE  46           QD1      ILE  46   3.087   8.562  -5.215
  553    QG   ILE  46           QG1      ILE  46   4.009   6.753  -6.213
  554    H    GLU  47           H        GLU  47   7.358   5.214  -3.462
  555    HA   GLU  47           HA       GLU  47   9.823   6.511  -3.367
  556   1HB   GLU  47          2HB       GLU  47   8.718   4.076  -2.058
  557   2HB   GLU  47          1HB       GLU  47  10.400   4.521  -1.800
  558   1HG   GLU  47          2HG       GLU  47   8.073   6.341  -1.265
  559   2HG   GLU  47          1HG       GLU  47   8.790   5.285  -0.045
  560    QB   GLU  47           QB       GLU  47   9.559   4.299  -1.929
  561    QG   GLU  47           QG       GLU  47   8.432   5.813  -0.655
  562    H    LEU  48           H        LEU  48   8.988   3.446  -4.914
  563    HA   LEU  48           HA       LEU  48  11.752   2.833  -5.407
  564   1HB   LEU  48          2HB       LEU  48   9.274   1.593  -6.621
  565   2HB   LEU  48          1HB       LEU  48  10.916   1.099  -6.970
  566    HG   LEU  48           HG       LEU  48  10.115  -0.500  -5.512
  567   1HD1  LEU  48          3HD1      LEU  48  12.318   0.160  -4.943
  568   2HD1  LEU  48          2HD1      LEU  48  11.711   1.397  -3.838
  569   3HD1  LEU  48          1HD1      LEU  48  11.433  -0.307  -3.493
  570   1HD2  LEU  48          2HD2      LEU  48   9.063   1.682  -3.728
  571   2HD2  LEU  48          1HD2      LEU  48   8.117   0.581  -4.728
  572   3HD2  LEU  48          3HD2      LEU  48   9.036  -0.047  -3.362
  573    MD1  LEU  48           QD1      LEU  48  11.820   0.417  -4.092
  574    MD2  LEU  48           QD2      LEU  48   8.738   0.739  -3.939
  575    QB   LEU  48           QB       LEU  48  10.095   1.346  -6.796
  576    QD   LEU  48           QQD      LEU  48  10.279   0.578  -4.015
  577    H    LYS  49           H        LYS  49   9.259   4.538  -7.030
  578    HA   LYS  49           HA       LYS  49  10.443   4.610  -9.625
  579   1HB   LYS  49          2HB       LYS  49   8.543   6.591  -8.349
  580   2HB   LYS  49          1HB       LYS  49   8.923   6.496 -10.053
  581   1HG   LYS  49          2HG       LYS  49   7.876   4.240 -10.095
  582   2HG   LYS  49          1HG       LYS  49   7.404   4.485  -8.409
  583   1HD   LYS  49          2HD       LYS  49   6.178   6.512  -9.062
  584   2HD   LYS  49          1HD       LYS  49   6.619   6.237 -10.743
  585   1HE   LYS  49          2HE       LYS  49   5.428   4.043 -10.610
  586   2HE   LYS  49          1HE       LYS  49   4.904   4.490  -8.993
  587   1HZ   LYS  49          1HZ       LYS  49   4.254   6.002 -11.474
  588   2HZ   LYS  49          3HZ       LYS  49   3.221   4.965 -10.654
  589   3HZ   LYS  49          2HZ       LYS  49   3.715   6.393  -9.927
  590    QB   LYS  49           QB       LYS  49   8.733   6.543  -9.201
  591    QD   LYS  49           QD       LYS  49   6.399   6.375  -9.902
  592    QG   LYS  49           QG       LYS  49   7.640   4.363  -9.252
  593    QE   LYS  49           QE       LYS  49   5.166   4.266  -9.802
  594    QZ   LYS  49           QZ       LYS  49   3.730   5.786 -10.685
  595    H    THR  50           H        THR  50  10.351   6.801  -6.869
  596    HA   THR  50           HA       THR  50  11.794   8.871  -8.065
  597    HB   THR  50           HB       THR  50  11.790   9.731  -5.656
  598    HG1  THR  50          1HG       THR  50  10.099   8.309  -4.541
  599   1HG2  THR  50          3HG2      THR  50   9.231   8.730  -6.883
  600   2HG2  THR  50          2HG2      THR  50   9.337  10.019  -5.680
  601   3HG2  THR  50          1HG2      THR  50  10.019  10.247  -7.299
  602    MG   THR  50           QG2      THR  50   9.529   9.665  -6.620
  603    H    LYS  51           H        LYS  51  12.772   6.041  -6.431
  604    HA   LYS  51           HA       LYS  51  15.372   6.990  -5.774
  605   1HB   LYS  51          2HB       LYS  51  14.245   4.211  -5.773
  606   2HB   LYS  51          1HB       LYS  51  15.953   4.512  -5.454
  607   1HG   LYS  51          2HG       LYS  51  15.409   5.931  -3.603
  608   2HG   LYS  51          1HG       LYS  51  13.695   5.779  -3.975
  609   1HD   LYS  51          2HD       LYS  51  13.809   3.384  -3.478
  610   2HD   LYS  51          1HD       LYS  51  15.519   3.568  -3.052
  611   1HE   LYS  51          2HE       LYS  51  13.936   3.617  -1.095
  612   2HE   LYS  51          1HE       LYS  51  14.993   5.028  -1.240
  613   1HZ   LYS  51          1HZ       LYS  51  12.222   4.942  -2.279
  614   2HZ   LYS  51          3HZ       LYS  51  12.590   5.612  -0.780
  615   3HZ   LYS  51          2HZ       LYS  51  13.215   6.292  -2.173
  616    QB   LYS  51           QB       LYS  51  15.099   4.361  -5.614
  617    QD   LYS  51           QD       LYS  51  14.664   3.476  -3.265
  618    QG   LYS  51           QG       LYS  51  14.552   5.855  -3.789
  619    QE   LYS  51           QE       LYS  51  14.465   4.323  -1.167
  620    QZ   LYS  51           QZ       LYS  51  12.676   5.616  -1.744
  621    H    LYS  52           H        LYS  52  14.003   5.989  -8.629
  622    HA   LYS  52           HA       LYS  52  14.686   5.711 -10.744
  623   1HB   LYS  52          2HB       LYS  52  16.332   7.207 -11.596
  624   2HB   LYS  52          1HB       LYS  52  15.454   8.034 -10.320
  625   1HG   LYS  52          2HG       LYS  52  17.363   7.661  -8.805
  626   2HG   LYS  52          1HG       LYS  52  18.236   6.858 -10.106
  627   1HD   LYS  52          2HD       LYS  52  17.319   9.738 -10.051
  628   2HD   LYS  52          1HD       LYS  52  18.978   9.167  -9.882
  629   1HE   LYS  52          2HE       LYS  52  18.887   8.257 -12.165
  630   2HE   LYS  52          1HE       LYS  52  17.236   8.840 -12.335
  631   1HZ   LYS  52          2HZ       LYS  52  18.096  11.109 -11.992
  632   2HZ   LYS  52          1HZ       LYS  52  19.649  10.504 -11.950
  633   3HZ   LYS  52          3HZ       LYS  52  18.750  10.365 -13.373
  634    QB   LYS  52           QB       LYS  52  15.893   7.621 -10.958
  635    QD   LYS  52           QD       LYS  52  18.148   9.453  -9.967
  636    QG   LYS  52           QG       LYS  52  17.799   7.259  -9.455
  637    QE   LYS  52           QE       LYS  52  18.062   8.549 -12.250
  638    QZ   LYS  52           QZ       LYS  52  18.831  10.659 -12.438
  639    H    LYS  53           H        LYS  53  16.011   3.903  -8.646
  640    HA   LYS  53           HA       LYS  53  18.320   3.013 -10.174
  641   1HB   LYS  53          2HB       LYS  53  18.775   1.560  -8.205
  642   2HB   LYS  53          1HB       LYS  53  18.729   3.285  -7.860
  643   1HG   LYS  53          2HG       LYS  53  16.428   3.014  -6.987
  644   2HG   LYS  53          1HG       LYS  53  16.570   1.275  -7.250
  645   1HD   LYS  53          2HD       LYS  53  18.419   2.891  -5.497
  646   2HD   LYS  53          1HD       LYS  53  17.033   1.987  -4.895
  647   1HE   LYS  53          2HE       LYS  53  18.007  -0.082  -5.689
  648   2HE   LYS  53          1HE       LYS  53  19.361   0.791  -6.400
  649   1HZ   LYS  53          1HZ       LYS  53  18.724   0.722  -3.498
  650   2HZ   LYS  53          3HZ       LYS  53  19.939  -0.171  -4.243
  651   3HZ   LYS  53          2HZ       LYS  53  20.001   1.518  -4.194
  652    QB   LYS  53           QB       LYS  53  18.752   2.423  -8.033
  653    QD   LYS  53           QD       LYS  53  17.726   2.439  -5.196
  654    QG   LYS  53           QG       LYS  53  16.499   2.145  -7.119
  655    QE   LYS  53           QE       LYS  53  18.684   0.354  -6.045
  656    QZ   LYS  53           QZ       LYS  53  19.555   0.690  -3.978
  657    H    ARG  54           H        ARG  54  15.276   2.513 -10.498
  658    HA   ARG  54           HA       ARG  54  15.381  -0.379 -10.950
  659   1HB   ARG  54          2HB       ARG  54  13.123   1.589 -11.387
  660   2HB   ARG  54          1HB       ARG  54  13.009  -0.130 -11.681
  661   1HG   ARG  54          2HG       ARG  54  13.451  -0.487  -9.239
  662   2HG   ARG  54          1HG       ARG  54  13.334   1.260  -9.035
  663   1HD   ARG  54          2HD       ARG  54  11.197  -0.512 -10.205
  664   2HD   ARG  54          1HD       ARG  54  11.166   0.134  -8.574
  665    HE   ARG  54           HE       ARG  54  11.377   2.361 -10.000
  666   1HH1  ARG  54          1HH1      ARG  54   9.110  -0.379 -10.272
  667   2HH1  ARG  54          2HH1      ARG  54   7.967   0.460 -11.179
  668   1HH2  ARG  54          1HH2      ARG  54   9.709   3.563 -11.331
  669   2HH2  ARG  54          2HH2      ARG  54   8.323   2.743 -11.807
  670    QB   ARG  54           QB       ARG  54  13.066   0.729 -11.534
  671    QG   ARG  54           QG       ARG  54  13.393   0.386  -9.137
  672    QD   ARG  54           QD       ARG  54  11.182  -0.189  -9.389
  673    QH1  ARG  54           QH1      ARG  54   8.538   0.040 -10.725
  674    QH2  ARG  54           QH2      ARG  54   9.016   3.153 -11.569
  675    H    TYR  55           H        TYR  55  14.446  -1.048 -13.171
  676    HA   TYR  55           HA       TYR  55  15.999   0.235 -15.219
  677   1HB   TYR  55          2HB       TYR  55  14.084  -2.098 -15.282
  678   2HB   TYR  55          1HB       TYR  55  14.886  -1.481 -16.720
  679    HD1  TYR  55          1HD       TYR  55  17.172  -1.936 -17.137
  680    HD2  TYR  55          2HD       TYR  55  15.401  -3.184 -13.490
  681    HE1  TYR  55          1HE       TYR  55  19.117  -3.352 -16.688
  682    HE2  TYR  55          2HE       TYR  55  17.356  -4.619 -13.027
  683    HH   TYR  55           HH       TYR  55  19.152  -5.726 -14.293
  684    QB   TYR  55           QB       TYR  55  14.485  -1.789 -16.001
  685    QD   TYR  55           QD       TYR  55  16.287  -2.560 -15.314
  686    QE   TYR  55           QE       TYR  55  18.237  -3.985 -14.858
  687    QR   TYR  55           QR       TYR  55  17.262  -3.272 -15.086
  688    H    SER  56           H        SER  56  13.301   1.199 -13.896
  689    HA   SER  56           HA       SER  56  11.450   1.556 -15.929
  690   1HB   SER  56          2HB       SER  56  10.894   1.694 -13.545
  691   2HB   SER  56          1HB       SER  56  11.809   3.191 -13.413
  692    HG   SER  56           HG       SER  56   9.616   2.853 -15.163
  693    QB   SER  56           QB       SER  56  11.351   2.442 -13.479
  694    H    LEU  57           H        LEU  57  14.338   3.392 -15.310
  695    HA   LEU  57           HA       LEU  57  13.383   5.537 -17.067
  696   1HB   LEU  57          2HB       LEU  57  15.952   5.320 -15.509
  697   2HB   LEU  57          1HB       LEU  57  15.492   6.685 -16.499
  698    HG   LEU  57           HG       LEU  57  14.158   5.775 -13.954
  699   1HD1  LEU  57          2HD1      LEU  57  16.279   6.895 -13.655
  700   2HD1  LEU  57          1HD1      LEU  57  15.726   8.237 -14.652
  701   3HD1  LEU  57          3HD1      LEU  57  14.940   7.918 -13.106
  702   1HD2  LEU  57          2HD2      LEU  57  13.444   8.070 -15.792
  703   2HD2  LEU  57          1HD2      LEU  57  12.469   6.633 -15.500
  704   3HD2  LEU  57          3HD2      LEU  57  12.748   7.788 -14.197
  705    MD1  LEU  57           QD1      LEU  57  15.648   7.683 -13.805
  706    MD2  LEU  57           QD2      LEU  57  12.887   7.497 -15.163
  707    QB   LEU  57           QB       LEU  57  15.722   6.003 -16.004
  708    QD   LEU  57           QQD      LEU  57  14.268   7.590 -14.484
  709    H    LEU  58           H        LEU  58  14.901   2.646 -17.272
  710    HA   LEU  58           HA       LEU  58  16.605   3.377 -19.535
  711   1HB   LEU  58          2HB       LEU  58  16.252   0.728 -18.109
  712   2HB   LEU  58          1HB       LEU  58  17.468   1.098 -19.319
  713    HG   LEU  58           HG       LEU  58  17.307   2.318 -16.559
  714   1HD1  LEU  58          2HD1      LEU  58  19.186   0.280 -17.713
  715   2HD1  LEU  58          1HD1      LEU  58  19.361   1.054 -16.136
  716   3HD1  LEU  58          3HD1      LEU  58  17.978   0.012 -16.460
  717   1HD2  LEU  58          2HD2      LEU  58  19.376   2.648 -18.732
  718   2HD2  LEU  58          1HD2      LEU  58  18.248   3.885 -18.171
  719   3HD2  LEU  58          3HD2      LEU  58  19.502   3.276 -17.091
  720    MD1  LEU  58           QD1      LEU  58  18.842   0.449 -16.770
  721    MD2  LEU  58           QD2      LEU  58  19.042   3.270 -17.998
  722    QB   LEU  58           QB       LEU  58  16.860   0.913 -18.714
  723    QD   LEU  58           QQD      LEU  58  18.942   1.859 -17.384
  724    H    GLU  59           H        GLU  59  14.070   1.153 -18.533
  725    HA   GLU  59           HA       GLU  59  13.140   0.906 -21.265
  726   1HB   GLU  59          2HB       GLU  59  12.305  -0.507 -18.736
  727   2HB   GLU  59          1HB       GLU  59  11.658  -0.814 -20.342
  728   1HG   GLU  59          2HG       GLU  59  14.476  -1.241 -19.440
  729   2HG   GLU  59          1HG       GLU  59  13.231  -2.462 -19.722
  730    QB   GLU  59           QB       GLU  59  11.982  -0.660 -19.539
  731    QG   GLU  59           QG       GLU  59  13.854  -1.852 -19.581
  732    H    HIS  60           H        HIS  60  12.043   2.625 -21.661
  733    HA   HIS  60           HA       HIS  60  10.763   4.180 -19.666
  734   1HB   HIS  60          2HB       HIS  60  11.696   5.086 -21.835
  735   2HB   HIS  60          1HB       HIS  60  10.302   4.394 -22.658
  736    HD1  HIS  60          1HD       HIS  60   9.212   6.631 -23.352
  737    HD2  HIS  60          2HD       HIS  60  10.056   6.388 -19.287
  738    HE1  HIS  60          1HE       HIS  60   8.161   8.656 -22.295
  739    QB   HIS  60           QB       HIS  60  10.999   4.740 -22.246
  740    H    HIS  61           H        HIS  61   9.006   3.891 -18.773
  741    HA   HIS  61           HA       HIS  61   7.458   1.783 -18.558
  742   1HB   HIS  61          2HB       HIS  61   7.370   3.762 -17.128
  743   2HB   HIS  61          1HB       HIS  61   6.471   4.618 -18.367
  744    HD1  HIS  61          1HD       HIS  61   3.951   4.441 -18.210
  745    HD2  HIS  61          2HD       HIS  61   5.920   1.499 -16.036
  746    HE1  HIS  61          1HE       HIS  61   2.195   3.270 -16.883
  747    QB   HIS  61           QB       HIS  61   6.920   4.190 -17.747
  748    H    HIS  62           H        HIS  62   6.103   0.645 -19.619
  749    HA   HIS  62           HA       HIS  62   5.350   1.043 -22.238
  750   1HB   HIS  62          2HB       HIS  62   3.752  -0.834 -21.953
  751   2HB   HIS  62          1HB       HIS  62   5.306  -1.198 -21.223
  752    HD1  HIS  62          1HD       HIS  62   5.337  -1.226 -18.533
  753    HD2  HIS  62          2HD       HIS  62   1.592  -0.945 -20.309
  754    HE1  HIS  62          1HE       HIS  62   3.669  -1.699 -16.717
  755    QB   HIS  62           QB       HIS  62   4.529  -1.016 -21.588
  756    H    HIS  63           H        HIS  63   4.109   2.354 -23.154
  757    HA   HIS  63           HA       HIS  63   2.446   4.093 -21.680
  758   1HB   HIS  63          2HB       HIS  63   2.778   3.826 -24.670
  759   2HB   HIS  63          1HB       HIS  63   2.018   5.178 -23.830
  760    HD1  HIS  63          1HD       HIS  63   5.207   4.077 -25.110
  761    HD2  HIS  63          2HD       HIS  63   3.914   6.512 -22.018
  762    HE1  HIS  63          1HE       HIS  63   7.220   5.427 -24.400
  763    QB   HIS  63           QB       HIS  63   2.398   4.502 -24.250
  764    H    HIS  64           H        HIS  64   0.488   3.888 -21.210
  765    HA   HIS  64           HA       HIS  64  -1.386   2.375 -22.792
  766   1HB   HIS  64          2HB       HIS  64  -0.413   0.712 -21.178
  767   2HB   HIS  64          1HB       HIS  64  -0.825   1.797 -19.864
  768    HD1  HIS  64          1HD       HIS  64  -2.563  -0.408 -22.452
  769    HD2  HIS  64          2HD       HIS  64  -3.292   1.502 -18.830
  770    HE1  HIS  64          1HE       HIS  64  -4.802  -1.216 -21.674
  771    QB   HIS  64           QB       HIS  64  -0.619   1.255 -20.521

  No H/Q in entry =         771
  Start of MODEL   24
    1    H1   MET   1          1HT       MET   1  12.160  -5.407   3.776
    2    H2   MET   1          3HT       MET   1  11.108  -4.100   3.724
    3    H3   MET   1          2HT       MET   1  11.058  -5.219   5.014
    4    HA   MET   1           HA       MET   1  10.376  -6.941   3.511
    5   1HB   MET   1          2HB       MET   1   8.725  -4.412   3.302
    6   2HB   MET   1          1HB       MET   1   8.166  -5.992   2.787
    7   1HG   MET   1          2HG       MET   1   8.959  -5.253   5.594
    8   2HG   MET   1          1HG       MET   1   7.307  -5.364   4.986
    9   1HE   MET   1          3HE       MET   1   8.323  -6.903   7.576
   10   2HE   MET   1          2HE       MET   1   6.676  -7.022   6.957
   11   3HE   MET   1          1HE       MET   1   7.586  -8.487   7.326
   12    QB   MET   1           QB       MET   1   8.445  -5.202   3.045
   13    QG   MET   1           QG       MET   1   8.133  -5.309   5.290
   14    ME   MET   1           QE       MET   1   7.528  -7.471   7.286
   15    H    ASN   2           H        ASN   2   9.952  -7.621   1.437
   16    HA   ASN   2           HA       ASN   2  11.398  -6.268  -0.622
   17   1HB   ASN   2          2HB       ASN   2   9.759  -8.792  -0.556
   18   2HB   ASN   2          1HB       ASN   2  10.383  -8.158  -2.068
   19   1HD2  ASN   2          1HD2      ASN   2  12.924  -7.250  -1.022
   20   2HD2  ASN   2          2HD2      ASN   2  13.821  -8.672  -0.647
   21    QB   ASN   2           QB       ASN   2  10.071  -8.475  -1.312
   22    QD   ASN   2           QD2      ASN   2  13.373  -7.961  -0.835
   23    H    VAL   3           H        VAL   3  10.593  -5.264  -2.425
   24    HA   VAL   3           HA       VAL   3   8.210  -3.846  -1.967
   25    HB   VAL   3           HB       VAL   3   8.536  -2.788  -4.182
   26   1HG1  VAL   3          3HG1      VAL   3   9.647  -1.896  -2.219
   27   2HG1  VAL   3          2HG1      VAL   3  11.023  -2.959  -2.502
   28   3HG1  VAL   3          1HG1      VAL   3  10.644  -1.682  -3.659
   29   1HG2  VAL   3          3HG2      VAL   3   9.458  -4.705  -5.403
   30   2HG2  VAL   3          2HG2      VAL   3  10.531  -3.310  -5.518
   31   3HG2  VAL   3          1HG2      VAL   3  10.916  -4.636  -4.416
   32    MG1  VAL   3           QG1      VAL   3  10.438  -2.179  -2.794
   33    MG2  VAL   3           QG2      VAL   3  10.302  -4.217  -5.113
   34    QG   VAL   3           QQG      VAL   3  10.370  -3.198  -3.953
   35    H    THR   4           H        THR   4   8.819  -6.724  -3.811
   36    HA   THR   4           HA       THR   4   6.431  -6.635  -5.295
   37    HB   THR   4           HB       THR   4   8.345  -8.181  -5.839
   38    HG1  THR   4          1HG       THR   4   6.290  -8.562  -6.702
   39   1HG2  THR   4          1HG2      THR   4   8.815  -8.987  -3.552
   40   2HG2  THR   4          3HG2      THR   4   7.266  -9.824  -3.539
   41   3HG2  THR   4          2HG2      THR   4   8.528 -10.333  -4.661
   42    MG   THR   4           QG2      THR   4   8.203  -9.715  -3.918
   43    H    LYS   5           H        LYS   5   7.121  -7.574  -2.022
   44    HA   LYS   5           HA       LYS   5   4.581  -8.855  -1.589
   45   1HB   LYS   5          2HB       LYS   5   6.718  -7.981   0.369
   46   2HB   LYS   5          1HB       LYS   5   5.299  -8.929   0.792
   47   1HG   LYS   5          2HG       LYS   5   7.488  -9.794  -1.100
   48   2HG   LYS   5          1HG       LYS   5   7.287 -10.333   0.569
   49   1HD   LYS   5          2HD       LYS   5   5.132 -11.315   0.018
   50   2HD   LYS   5          1HD       LYS   5   5.265 -10.736  -1.642
   51   1HE   LYS   5          2HE       LYS   5   5.817 -13.079  -1.545
   52   2HE   LYS   5          1HE       LYS   5   7.247 -12.138  -1.951
   53   1HZ   LYS   5          2HZ       LYS   5   6.631 -13.164   0.776
   54   2HZ   LYS   5          1HZ       LYS   5   7.691 -13.884  -0.323
   55   3HZ   LYS   5          3HZ       LYS   5   8.027 -12.367   0.298
   56    QB   LYS   5           QB       LYS   5   6.009  -8.455   0.581
   57    QD   LYS   5           QD       LYS   5   5.199 -11.026  -0.812
   58    QG   LYS   5           QG       LYS   5   7.387 -10.063  -0.265
   59    QE   LYS   5           QE       LYS   5   6.532 -12.609  -1.748
   60    QZ   LYS   5           QZ       LYS   5   7.450 -13.138   0.250
   61    H    LEU   6           H        LEU   6   6.027  -5.742  -1.081
   62    HA   LEU   6           HA       LEU   6   3.875  -4.639   0.395
   63   1HB   LEU   6          2HB       LEU   6   6.211  -3.693   0.269
   64   2HB   LEU   6          1HB       LEU   6   5.849  -3.234  -1.383
   65    HG   LEU   6           HG       LEU   6   4.197  -1.617  -0.641
   66   1HD1  LEU   6          1HD1      LEU   6   4.860  -2.547   2.149
   67   2HD1  LEU   6          3HD1      LEU   6   3.838  -1.172   1.735
   68   3HD1  LEU   6          2HD1      LEU   6   3.327  -2.801   1.308
   69   1HD2  LEU   6          2HD2      LEU   6   6.531  -0.912  -0.752
   70   2HD2  LEU   6          1HD2      LEU   6   5.666  -0.079   0.540
   71   3HD2  LEU   6          3HD2      LEU   6   6.765  -1.403   0.925
   72    MD1  LEU   6           QD1      LEU   6   4.008  -2.173   1.731
   73    MD2  LEU   6           QD2      LEU   6   6.321  -0.798   0.238
   74    QB   LEU   6           QB       LEU   6   6.030  -3.463  -0.557
   75    QD   LEU   6           QQD      LEU   6   5.164  -1.486   0.984
   76    H    ASN   7           H        ASN   7   4.726  -4.783  -3.014
   77    HA   ASN   7           HA       ASN   7   2.568  -3.297  -3.993
   78   1HB   ASN   7          2HB       ASN   7   4.575  -3.832  -5.342
   79   2HB   ASN   7          1HB       ASN   7   4.088  -5.519  -5.385
   80   1HD2  ASN   7          1HD2      ASN   7   1.909  -2.724  -5.753
   81   2HD2  ASN   7          2HD2      ASN   7   1.500  -3.074  -7.379
   82    QB   ASN   7           QB       ASN   7   4.331  -4.675  -5.363
   83    QD   ASN   7           QD2      ASN   7   1.705  -2.899  -6.566
   84    H    ASP   8           H        ASP   8   2.976  -6.724  -3.294
   85    HA   ASP   8           HA       ASP   8   0.544  -7.731  -4.250
   86   1HB   ASP   8          2HB       ASP   8   2.328  -9.201  -3.467
   87   2HB   ASP   8          1HB       ASP   8   2.161  -8.573  -1.833
   88    QB   ASP   8           QB       ASP   8   2.244  -8.887  -2.650
   89    H    ARG   9           H        ARG   9   1.382  -6.224  -1.209
   90    HA   ARG   9           HA       ARG   9  -1.128  -6.462   0.044
   91   1HB   ARG   9          2HB       ARG   9   1.045  -4.408   0.423
   92   2HB   ARG   9          1HB       ARG   9  -0.354  -4.565   1.475
   93   1HG   ARG   9          2HG       ARG   9   0.342  -6.787   2.124
   94   2HG   ARG   9          1HG       ARG   9   1.692  -6.718   0.991
   95   1HD   ARG   9          2HD       ARG   9   2.396  -6.251   3.301
   96   2HD   ARG   9          1HD       ARG   9   2.678  -4.882   2.229
   97    HE   ARG   9           HE       ARG   9   0.161  -4.772   3.581
   98   1HH1  ARG   9          1HH1      ARG   9   3.629  -4.021   3.954
   99   2HH1  ARG   9          2HH1      ARG   9   3.365  -2.790   5.067
  100   1HH2  ARG   9          1HH2      ARG   9  -0.161  -3.037   5.138
  101   2HH2  ARG   9          2HH2      ARG   9   1.190  -2.209   5.749
  102    QB   ARG   9           QB       ARG   9   0.345  -4.487   0.949
  103    QG   ARG   9           QG       ARG   9   1.017  -6.753   1.557
  104    QD   ARG   9           QD       ARG   9   2.537  -5.566   2.765
  105    QH1  ARG   9           QH1      ARG   9   3.497  -3.405   4.511
  106    QH2  ARG   9           QH2      ARG   9   0.515  -2.623   5.444
  107    H    ILE  10           H        ILE  10   0.223  -3.994  -2.075
  108    HA   ILE  10           HA       ILE  10  -1.903  -2.137  -2.007
  109    HB   ILE  10           HB       ILE  10  -0.040  -2.827  -4.305
  110   1HG1  ILE  10          2HG1      ILE  10   0.121  -0.608  -2.272
  111   2HG1  ILE  10          1HG1      ILE  10   1.113  -2.066  -2.259
  112   1HG2  ILE  10          2HG2      ILE  10  -2.001  -1.655  -5.145
  113   2HG2  ILE  10          1HG2      ILE  10  -1.767  -0.375  -3.954
  114   3HG2  ILE  10          3HG2      ILE  10  -0.577  -0.619  -5.234
  115   1HD1  ILE  10          2HD1      ILE  10   1.103   0.058  -4.390
  116   2HD1  ILE  10          1HD1      ILE  10   2.320  -0.161  -3.130
  117   3HD1  ILE  10          3HD1      ILE  10   2.115  -1.387  -4.377
  118    MG   ILE  10           QG2      ILE  10  -1.448  -0.883  -4.778
  119    MD   ILE  10           QD1      ILE  10   1.846  -0.497  -3.966
  120    QG   ILE  10           QG1      ILE  10   0.617  -1.337  -2.265
  121    H    GLU  11           H        GLU  11  -1.279  -4.905  -4.059
  122    HA   GLU  11           HA       GLU  11  -3.552  -4.789  -5.715
  123   1HB   GLU  11          2HB       GLU  11  -1.507  -6.163  -6.084
  124   2HB   GLU  11          1HB       GLU  11  -1.989  -7.184  -4.749
  125   1HG   GLU  11          2HG       GLU  11  -4.004  -7.829  -5.974
  126   2HG   GLU  11          1HG       GLU  11  -3.472  -6.847  -7.339
  127    QB   GLU  11           QB       GLU  11  -1.748  -6.673  -5.416
  128    QG   GLU  11           QG       GLU  11  -3.738  -7.338  -6.657
  129    H    ALA  12           H        ALA  12  -2.939  -6.345  -2.631
  130    HA   ALA  12           HA       ALA  12  -5.421  -7.610  -2.329
  131   1HB   ALA  12          3HB       ALA  12  -3.440  -8.178  -1.034
  132   2HB   ALA  12          1HB       ALA  12  -4.809  -7.806   0.021
  133   3HB   ALA  12          2HB       ALA  12  -3.521  -6.617  -0.219
  134    MB   ALA  12           QB       ALA  12  -3.923  -7.534  -0.410
  135    H    LYS  13           H        LYS  13  -4.417  -4.295  -1.854
  136    HA   LYS  13           HA       LYS  13  -6.711  -3.578  -0.280
  137   1HB   LYS  13          2HB       LYS  13  -4.743  -1.840  -1.775
  138   2HB   LYS  13          1HB       LYS  13  -5.965  -1.234  -0.658
  139   1HG   LYS  13          2HG       LYS  13  -3.587  -2.964  -0.027
  140   2HG   LYS  13          1HG       LYS  13  -3.787  -1.259   0.361
  141   1HD   LYS  13          2HD       LYS  13  -5.607  -1.784   1.867
  142   2HD   LYS  13          1HD       LYS  13  -5.528  -3.487   1.408
  143   1HE   LYS  13          2HE       LYS  13  -3.253  -3.619   2.271
  144   2HE   LYS  13          1HE       LYS  13  -3.332  -1.923   2.737
  145   1HZ   LYS  13          1HZ       LYS  13  -5.113  -4.048   3.776
  146   2HZ   LYS  13          3HZ       LYS  13  -3.784  -3.415   4.598
  147   3HZ   LYS  13          2HZ       LYS  13  -5.090  -2.413   4.253
  148    QB   LYS  13           QB       LYS  13  -5.354  -1.537  -1.217
  149    QD   LYS  13           QD       LYS  13  -5.567  -2.635   1.637
  150    QG   LYS  13           QG       LYS  13  -3.687  -2.112   0.167
  151    QE   LYS  13           QE       LYS  13  -3.292  -2.771   2.504
  152    QZ   LYS  13           QZ       LYS  13  -4.663  -3.292   4.209
  153    H    LYS  14           H        LYS  14  -5.742  -3.581  -3.618
  154    HA   LYS  14           HA       LYS  14  -7.827  -2.154  -4.842
  155   1HB   LYS  14          2HB       LYS  14  -6.571  -4.735  -5.821
  156   2HB   LYS  14          1HB       LYS  14  -7.440  -3.579  -6.803
  157   1HG   LYS  14          2HG       LYS  14  -4.828  -3.036  -5.410
  158   2HG   LYS  14          1HG       LYS  14  -4.994  -3.519  -7.102
  159   1HD   LYS  14          2HD       LYS  14  -6.465  -1.510  -7.395
  160   2HD   LYS  14          1HD       LYS  14  -5.973  -1.095  -5.733
  161   1HE   LYS  14          2HE       LYS  14  -3.715  -0.806  -6.347
  162   2HE   LYS  14          1HE       LYS  14  -3.960  -1.572  -7.909
  163   1HZ   LYS  14          2HZ       LYS  14  -5.232   1.032  -7.189
  164   2HZ   LYS  14          1HZ       LYS  14  -3.775   0.860  -8.043
  165   3HZ   LYS  14          3HZ       LYS  14  -5.184   0.263  -8.671
  166    QB   LYS  14           QB       LYS  14  -7.006  -4.157  -6.312
  167    QD   LYS  14           QD       LYS  14  -6.219  -1.303  -6.564
  168    QG   LYS  14           QG       LYS  14  -4.911  -3.278  -6.256
  169    QE   LYS  14           QE       LYS  14  -3.838  -1.189  -7.128
  170    QZ   LYS  14           QZ       LYS  14  -4.730   0.718  -7.968
  171    H    LYS  15           H        LYS  15  -7.486  -5.558  -4.149
  172    HA   LYS  15           HA       LYS  15 -10.018  -6.410  -5.007
  173   1HB   LYS  15          2HB       LYS  15  -8.091  -7.678  -3.076
  174   2HB   LYS  15          1HB       LYS  15  -9.459  -8.493  -3.806
  175   1HG   LYS  15          2HG       LYS  15  -7.101  -7.343  -5.297
  176   2HG   LYS  15          1HG       LYS  15  -7.335  -9.045  -4.909
  177   1HD   LYS  15          2HD       LYS  15  -9.176  -7.383  -6.645
  178   2HD   LYS  15          1HD       LYS  15  -7.960  -8.509  -7.232
  179   1HE   LYS  15          2HE       LYS  15  -9.094 -10.351  -6.114
  180   2HE   LYS  15          1HE       LYS  15 -10.297  -9.239  -5.472
  181   1HZ   LYS  15          2HZ       LYS  15  -9.836  -9.771  -8.347
  182   2HZ   LYS  15          1HZ       LYS  15 -11.067 -10.432  -7.402
  183   3HZ   LYS  15          3HZ       LYS  15 -11.040  -8.770  -7.680
  184    QB   LYS  15           QB       LYS  15  -8.775  -8.086  -3.441
  185    QD   LYS  15           QD       LYS  15  -8.568  -7.946  -6.939
  186    QG   LYS  15           QG       LYS  15  -7.218  -8.194  -5.103
  187    QE   LYS  15           QE       LYS  15  -9.696  -9.795  -5.793
  188    QZ   LYS  15           QZ       LYS  15 -10.647  -9.658  -7.810
  189    H    GLU  16           H        GLU  16  -8.844  -5.319  -1.916
  190    HA   GLU  16           HA       GLU  16 -11.143  -6.237  -0.456
  191   1HB   GLU  16          2HB       GLU  16  -8.718  -5.723   0.375
  192   2HB   GLU  16          1HB       GLU  16  -9.331  -4.078   0.528
  193   1HG   GLU  16          2HG       GLU  16  -9.589  -5.080   2.643
  194   2HG   GLU  16          1HG       GLU  16 -11.198  -5.030   1.918
  195    QB   GLU  16           QB       GLU  16  -9.025  -4.900   0.452
  196    QG   GLU  16           QG       GLU  16 -10.393  -5.055   2.280
  197    H    LEU  17           H        LEU  17  -9.961  -3.109  -1.625
  198    HA   LEU  17           HA       LEU  17 -12.008  -1.576  -0.525
  199   1HB   LEU  17          2HB       LEU  17  -9.868  -0.669  -1.293
  200   2HB   LEU  17          1HB       LEU  17 -10.321  -1.004  -2.951
  201    HG   LEU  17           HG       LEU  17 -12.176   0.613  -2.753
  202   1HD1  LEU  17          2HD1      LEU  17 -12.538   0.432  -0.326
  203   2HD1  LEU  17          1HD1      LEU  17 -10.975   1.171  -0.053
  204   3HD1  LEU  17          3HD1      LEU  17 -12.257   2.111  -0.809
  205   1HD2  LEU  17          2HD2      LEU  17  -9.463   1.685  -2.009
  206   2HD2  LEU  17          1HD2      LEU  17 -10.012   1.314  -3.643
  207   3HD2  LEU  17          3HD2      LEU  17 -10.772   2.620  -2.729
  208    MD1  LEU  17           QD1      LEU  17 -11.923   1.238  -0.396
  209    MD2  LEU  17           QD2      LEU  17 -10.082   1.873  -2.793
  210    QB   LEU  17           QB       LEU  17 -10.094  -0.836  -2.122
  211    QD   LEU  17           QQD      LEU  17 -11.003   1.555  -1.595
  212    H    ILE  18           H        ILE  18 -11.637  -2.882  -3.825
  213    HA   ILE  18           HA       ILE  18 -14.002  -1.774  -4.842
  214    HB   ILE  18           HB       ILE  18 -12.657  -4.363  -5.705
  215   1HG1  ILE  18          2HG1      ILE  18 -12.340  -1.553  -6.804
  216   2HG1  ILE  18          1HG1      ILE  18 -11.187  -2.352  -5.751
  217   1HG2  ILE  18          3HG2      ILE  18 -14.953  -4.182  -6.548
  218   2HG2  ILE  18          2HG2      ILE  18 -14.602  -2.577  -7.183
  219   3HG2  ILE  18          1HG2      ILE  18 -13.789  -3.987  -7.861
  220   1HD1  ILE  18          3HD1      ILE  18 -11.964  -3.288  -8.504
  221   2HD1  ILE  18          2HD1      ILE  18 -10.483  -2.420  -8.084
  222   3HD1  ILE  18          1HD1      ILE  18 -10.773  -4.038  -7.443
  223    MG   ILE  18           QG2      ILE  18 -14.448  -3.582  -7.198
  224    MD   ILE  18           QD1      ILE  18 -11.073  -3.249  -8.010
  225    QG   ILE  18           QG1      ILE  18 -11.763  -1.952  -6.278
  226    H    TYR  19           H        TYR  19 -13.377  -4.836  -3.260
  227    HA   TYR  19           HA       TYR  19 -15.859  -6.079  -3.490
  228   1HB   TYR  19          2HB       TYR  19 -13.763  -7.130  -2.737
  229   2HB   TYR  19          1HB       TYR  19 -13.815  -6.189  -1.264
  230    HD1  TYR  19          1HD       TYR  19 -14.700  -7.163   0.639
  231    HD2  TYR  19          2HD       TYR  19 -15.811  -8.693  -3.170
  232    HE1  TYR  19          1HE       TYR  19 -15.860  -9.024   1.735
  233    HE2  TYR  19          2HE       TYR  19 -16.979 -10.560  -2.080
  234    HH   TYR  19           HH       TYR  19 -16.995 -11.747  -0.031
  235    QB   TYR  19           QB       TYR  19 -13.789  -6.659  -2.001
  236    QD   TYR  19           QD       TYR  19 -15.255  -7.928  -1.265
  237    QE   TYR  19           QE       TYR  19 -16.420  -9.792  -0.172
  238    QR   TYR  19           QR       TYR  19 -15.837  -8.860  -0.719
  239    H    LEU  20           H        LEU  20 -14.635  -3.827  -1.043
  240    HA   LEU  20           HA       LEU  20 -17.039  -3.877   0.485
  241   1HB   LEU  20          2HB       LEU  20 -14.777  -1.891   0.554
  242   2HB   LEU  20          1HB       LEU  20 -16.057  -2.020   1.743
  243    HG   LEU  20           HG       LEU  20 -13.929  -4.079   1.176
  244   1HD1  LEU  20          2HD1      LEU  20 -13.108  -2.149   2.366
  245   2HD1  LEU  20          1HD1      LEU  20 -14.404  -2.313   3.553
  246   3HD1  LEU  20          3HD1      LEU  20 -13.166  -3.561   3.420
  247   1HD2  LEU  20          2HD2      LEU  20 -16.185  -4.126   3.175
  248   2HD2  LEU  20          1HD2      LEU  20 -15.996  -5.197   1.787
  249   3HD2  LEU  20          3HD2      LEU  20 -14.848  -5.276   3.125
  250    MD1  LEU  20           QD1      LEU  20 -13.560  -2.674   3.113
  251    MD2  LEU  20           QD2      LEU  20 -15.676  -4.866   2.696
  252    QB   LEU  20           QB       LEU  20 -15.417  -1.955   1.149
  253    QD   LEU  20           QQD      LEU  20 -14.618  -3.770   2.904
  254    H    VAL  21           H        VAL  21 -15.816  -1.842  -2.084
  255    HA   VAL  21           HA       VAL  21 -17.811   0.166  -1.885
  256    HB   VAL  21           HB       VAL  21 -16.181  -0.692  -4.323
  257   1HG1  VAL  21          2HG1      VAL  21 -18.215   0.468  -5.048
  258   2HG1  VAL  21          1HG1      VAL  21 -17.848   1.802  -3.956
  259   3HG1  VAL  21          3HG1      VAL  21 -16.786   1.464  -5.323
  260   1HG2  VAL  21          3HG2      VAL  21 -15.844   1.625  -2.423
  261   2HG2  VAL  21          2HG2      VAL  21 -14.826   0.187  -2.500
  262   3HG2  VAL  21          1HG2      VAL  21 -14.859   1.318  -3.854
  263    MG1  VAL  21           QG1      VAL  21 -17.616   1.245  -4.775
  264    MG2  VAL  21           QG2      VAL  21 -15.176   1.043  -2.926
  265    QG   VAL  21           QQG      VAL  21 -16.396   1.144  -3.851
  266    H    GLU  22           H        GLU  22 -17.716  -2.946  -3.483
  267    HA   GLU  22           HA       GLU  22 -20.152  -2.637  -4.868
  268   1HB   GLU  22          2HB       GLU  22 -18.855  -5.196  -3.953
  269   2HB   GLU  22          1HB       GLU  22 -20.154  -5.065  -5.126
  270   1HG   GLU  22          2HG       GLU  22 -18.589  -3.647  -6.503
  271   2HG   GLU  22          1HG       GLU  22 -17.317  -4.145  -5.389
  272    QB   GLU  22           QB       GLU  22 -19.505  -5.130  -4.539
  273    QG   GLU  22           QG       GLU  22 -17.953  -3.896  -5.946
  274    H    LYS  23           H        LYS  23 -19.406  -4.103  -1.735
  275    HA   LYS  23           HA       LYS  23 -22.184  -4.738  -1.341
  276   1HB   LYS  23          2HB       LYS  23 -19.835  -5.097   0.496
  277   2HB   LYS  23          1HB       LYS  23 -21.467  -5.612   0.881
  278   1HG   LYS  23          2HG       LYS  23 -21.408  -7.080  -1.133
  279   2HG   LYS  23          1HG       LYS  23 -19.710  -6.635  -1.338
  280   1HD   LYS  23          2HD       LYS  23 -19.190  -7.528   0.861
  281   2HD   LYS  23          1HD       LYS  23 -20.886  -7.933   1.118
  282   1HE   LYS  23          2HE       LYS  23 -19.056  -9.095  -0.986
  283   2HE   LYS  23          1HE       LYS  23 -19.593  -9.896   0.482
  284   1HZ   LYS  23          3HZ       LYS  23 -21.921  -9.675  -0.417
  285   2HZ   LYS  23          2HZ       LYS  23 -21.220  -9.148  -1.875
  286   3HZ   LYS  23          1HZ       LYS  23 -20.893 -10.675  -1.314
  287    QB   LYS  23           QB       LYS  23 -20.651  -5.354   0.688
  288    QD   LYS  23           QD       LYS  23 -20.038  -7.731   0.989
  289    QG   LYS  23           QG       LYS  23 -20.559  -6.858  -1.236
  290    QE   LYS  23           QE       LYS  23 -19.324  -9.496  -0.252
  291    QZ   LYS  23           QZ       LYS  23 -21.344  -9.832  -1.202
  292    H    TYR  24           H        TYR  24 -19.966  -2.449   0.189
  293    HA   TYR  24           HA       TYR  24 -22.235  -1.435   1.745
  294   1HB   TYR  24          2HB       TYR  24 -19.279  -0.886   2.023
  295   2HB   TYR  24          1HB       TYR  24 -20.534  -0.211   3.051
  296    HD1  TYR  24          1HD       TYR  24 -21.864  -1.757   4.505
  297    HD2  TYR  24          2HD       TYR  24 -18.390  -3.035   2.417
  298    HE1  TYR  24          1HE       TYR  24 -21.688  -3.693   5.991
  299    HE2  TYR  24          2HE       TYR  24 -18.207  -4.981   3.895
  300    HH   TYR  24           HH       TYR  24 -20.686  -5.989   5.919
  301    QB   TYR  24           QB       TYR  24 -19.907  -0.549   2.537
  302    QD   TYR  24           QD       TYR  24 -20.127  -2.396   3.461
  303    QE   TYR  24           QE       TYR  24 -19.948  -4.337   4.943
  304    QR   TYR  24           QR       TYR  24 -20.037  -3.367   4.202
  305    H    GLY  25           H        GLY  25 -19.674  -0.457  -0.378
  306   1HA   GLY  25          1HA       GLY  25 -21.239   1.922  -1.115
  307   2HA   GLY  25          2HA       GLY  25 -19.938   1.206  -2.059
  308    QA   GLY  25           QA       GLY  25 -20.589   1.564  -1.587
  309    H    PHE  26           H        PHE  26 -19.042   3.326  -2.210
  310    HA   PHE  26           HA       PHE  26 -17.179   3.818  -0.066
  311   1HB   PHE  26          2HB       PHE  26 -16.494   3.830  -2.499
  312   2HB   PHE  26          1HB       PHE  26 -17.487   5.259  -2.720
  313    HD1  PHE  26          1HD       PHE  26 -14.372   3.943  -1.400
  314    HD2  PHE  26          2HD       PHE  26 -16.777   7.418  -1.791
  315    HE1  PHE  26          1HE       PHE  26 -12.444   5.342  -0.797
  316    HE2  PHE  26          2HE       PHE  26 -14.855   8.824  -1.187
  317    HZ   PHE  26           HZ       PHE  26 -12.682   7.784  -0.692
  318    QB   PHE  26           QB       PHE  26 -16.990   4.544  -2.610
  319    QD   PHE  26           QD       PHE  26 -15.575   5.680  -1.596
  320    QE   PHE  26           QE       PHE  26 -13.649   7.083  -0.992
  321    QR   PHE  26           QR       PHE  26 -14.226   6.662  -1.174
  322    H    THR  27           H        THR  27 -18.748   4.465   1.446
  323    HA   THR  27           HA       THR  27 -19.527   7.267   1.095
  324    HB   THR  27           HB       THR  27 -21.291   5.163   2.380
  325    HG1  THR  27          1HG       THR  27 -22.182   4.915   0.486
  326   1HG2  THR  27          1HG2      THR  27 -21.606   7.449   3.249
  327   2HG2  THR  27          3HG2      THR  27 -21.837   8.037   1.603
  328   3HG2  THR  27          2HG2      THR  27 -23.006   6.924   2.312
  329    MG   THR  27           QG2      THR  27 -22.149   7.470   2.388
  330    H    HIS  28           H        HIS  28 -19.517   4.702   3.624
  331    HA   HIS  28           HA       HIS  28 -18.896   6.659   5.580
  332   1HB   HIS  28          2HB       HIS  28 -18.751   4.764   7.207
  333   2HB   HIS  28          1HB       HIS  28 -20.257   4.796   6.311
  334    HD1  HIS  28          1HD       HIS  28 -20.979   2.452   5.722
  335    HD2  HIS  28          2HD       HIS  28 -16.855   2.877   5.809
  336    HE1  HIS  28          1HE       HIS  28 -20.048   0.184   5.249
  337    QB   HIS  28           QB       HIS  28 -19.504   4.780   6.759
  338    H    HIS  29           H        HIS  29 -17.070   6.590   7.030
  339    HA   HIS  29           HA       HIS  29 -14.786   7.038   5.495
  340   1HB   HIS  29          2HB       HIS  29 -15.172   7.084   8.469
  341   2HB   HIS  29          1HB       HIS  29 -13.644   7.495   7.702
  342    HD1  HIS  29          1HD       HIS  29 -17.028   8.892   8.433
  343    HD2  HIS  29          2HD       HIS  29 -13.697   9.847   6.131
  344    HE1  HIS  29          1HE       HIS  29 -17.318  11.290   7.736
  345    QB   HIS  29           QB       HIS  29 -14.408   7.290   8.086
  346    H    LYS  30           H        LYS  30 -15.710   4.183   7.172
  347    HA   LYS  30           HA       LYS  30 -13.162   3.048   7.339
  348   1HB   LYS  30          2HB       LYS  30 -14.856   1.904   8.519
  349   2HB   LYS  30          1HB       LYS  30 -15.889   1.767   7.110
  350   1HG   LYS  30          2HG       LYS  30 -14.542   0.066   6.173
  351   2HG   LYS  30          1HG       LYS  30 -13.239   0.368   7.324
  352   1HD   LYS  30          2HD       LYS  30 -14.522  -1.675   7.841
  353   2HD   LYS  30          1HD       LYS  30 -14.596  -0.484   9.132
  354   1HE   LYS  30          2HE       LYS  30 -16.771  -1.509   8.807
  355   2HE   LYS  30          1HE       LYS  30 -16.824   0.189   8.353
  356   1HZ   LYS  30          2HZ       LYS  30 -16.512  -2.018   6.399
  357   2HZ   LYS  30          1HZ       LYS  30 -17.986  -1.348   6.858
  358   3HZ   LYS  30          3HZ       LYS  30 -16.861  -0.379   6.081
  359    QB   LYS  30           QB       LYS  30 -15.372   1.836   7.815
  360    QD   LYS  30           QD       LYS  30 -14.559  -1.079   8.487
  361    QG   LYS  30           QG       LYS  30 -13.890   0.217   6.748
  362    QE   LYS  30           QE       LYS  30 -16.797  -0.660   8.580
  363    QZ   LYS  30           QZ       LYS  30 -17.120  -1.249   6.446
  364    H    VAL  31           H        VAL  31 -15.456   2.952   4.623
  365    HA   VAL  31           HA       VAL  31 -13.712   1.403   2.991
  366    HB   VAL  31           HB       VAL  31 -15.966   3.265   2.122
  367   1HG1  VAL  31          2HG1      VAL  31 -14.426   2.734   0.293
  368   2HG1  VAL  31          1HG1      VAL  31 -14.622   1.016   0.620
  369   3HG1  VAL  31          3HG1      VAL  31 -15.996   1.963   0.046
  370   1HG2  VAL  31          3HG2      VAL  31 -16.750   1.510   3.618
  371   2HG2  VAL  31          2HG2      VAL  31 -17.318   1.233   1.970
  372   3HG2  VAL  31          1HG2      VAL  31 -15.977   0.288   2.610
  373    MG1  VAL  31           QG1      VAL  31 -15.015   1.904   0.319
  374    MG2  VAL  31           QG2      VAL  31 -16.682   1.010   2.733
  375    QG   VAL  31           QQG      VAL  31 -15.848   1.457   1.526
  376    H    ILE  32           H        ILE  32 -14.175   4.809   3.565
  377    HA   ILE  32           HA       ILE  32 -12.500   5.785   1.527
  378    HB   ILE  32           HB       ILE  32 -13.111   7.082   4.210
  379   1HG1  ILE  32          2HG1      ILE  32 -14.512   7.368   1.536
  380   2HG1  ILE  32          1HG1      ILE  32 -15.150   6.507   2.924
  381   1HG2  ILE  32          1HG2      ILE  32 -11.192   8.118   3.082
  382   2HG2  ILE  32          3HG2      ILE  32 -12.152   8.309   1.614
  383   3HG2  ILE  32          2HG2      ILE  32 -12.583   9.202   3.072
  384   1HD1  ILE  32          2HD1      ILE  32 -15.232   8.620   4.178
  385   2HD1  ILE  32          1HD1      ILE  32 -14.609   9.465   2.762
  386   3HD1  ILE  32          3HD1      ILE  32 -16.185   8.678   2.696
  387    MG   ILE  32           QG2      ILE  32 -11.975   8.543   2.589
  388    MD   ILE  32           QD1      ILE  32 -15.342   8.921   3.212
  389    QG   ILE  32           QG1      ILE  32 -14.831   6.938   2.230
  390    H    SER  33           H        SER  33 -11.779   4.702   4.850
  391    HA   SER  33           HA       SER  33  -9.123   5.582   4.837
  392   1HB   SER  33          2HB       SER  33  -8.728   4.063   6.763
  393   2HB   SER  33          1HB       SER  33 -10.201   5.002   6.959
  394    HG   SER  33           HG       SER  33 -11.166   2.911   5.931
  395    QB   SER  33           QB       SER  33  -9.465   4.532   6.861
  396    H    PHE  34           H        PHE  34 -10.543   2.589   3.633
  397    HA   PHE  34           HA       PHE  34  -8.101   1.266   3.135
  398   1HB   PHE  34          2HB       PHE  34 -10.808   1.032   1.876
  399   2HB   PHE  34          1HB       PHE  34  -9.445   0.074   1.295
  400    HD1  PHE  34          1HD       PHE  34  -8.470  -1.615   2.740
  401    HD2  PHE  34          2HD       PHE  34 -11.913   0.575   3.848
  402    HE1  PHE  34          1HE       PHE  34  -8.971  -3.295   4.437
  403    HE2  PHE  34          2HE       PHE  34 -12.449  -1.060   5.540
  404    HZ   PHE  34           HZ       PHE  34 -10.971  -3.036   5.872
  405    QB   PHE  34           QB       PHE  34 -10.126   0.553   1.585
  406    QD   PHE  34           QD       PHE  34 -10.191  -0.520   3.294
  407    QE   PHE  34           QE       PHE  34 -10.710  -2.178   4.988
  408    QR   PHE  34           QR       PHE  34 -10.555  -1.686   4.487
  409    H    SER  35           H        SER  35  -9.957   3.566   1.286
  410    HA   SER  35           HA       SER  35  -8.429   3.397  -1.074
  411   1HB   SER  35          2HB       SER  35 -10.686   4.380  -0.982
  412   2HB   SER  35          1HB       SER  35 -10.078   5.717  -0.008
  413    HG   SER  35           HG       SER  35  -9.629   5.114  -2.723
  414    QB   SER  35           QB       SER  35 -10.382   5.048  -0.495
  415    H    GLN  36           H        GLN  36  -8.160   5.389   1.829
  416    HA   GLN  36           HA       GLN  36  -5.987   6.945   0.875
  417   1HB   GLN  36          2HB       GLN  36  -6.844   6.393   3.715
  418   2HB   GLN  36          1HB       GLN  36  -5.676   7.611   3.228
  419   1HG   GLN  36          2HG       GLN  36  -7.467   8.693   1.883
  420   2HG   GLN  36          1HG       GLN  36  -8.609   7.536   2.569
  421   1HE2  GLN  36          1HE2      GLN  36  -9.209   7.748   4.752
  422   2HE2  GLN  36          2HE2      GLN  36  -8.817   9.157   5.646
  423    QB   GLN  36           QB       GLN  36  -6.260   7.002   3.471
  424    QG   GLN  36           QG       GLN  36  -8.038   8.115   2.226
  425    QE   GLN  36           QE2      GLN  36  -9.013   8.452   5.199
  426    H    GLU  37           H        GLU  37  -6.262   3.914   2.541
  427    HA   GLU  37           HA       GLU  37  -3.510   3.665   3.190
  428   1HB   GLU  37          2HB       GLU  37  -5.239   2.454   4.437
  429   2HB   GLU  37          1HB       GLU  37  -5.699   1.581   2.989
  430   1HG   GLU  37          2HG       GLU  37  -3.591   0.431   2.953
  431   2HG   GLU  37          1HG       GLU  37  -3.008   1.394   4.311
  432    QB   GLU  37           QB       GLU  37  -5.469   2.018   3.713
  433    QG   GLU  37           QG       GLU  37  -3.300   0.913   3.632
  434    H    LEU  38           H        LEU  38  -5.548   2.417   0.577
  435    HA   LEU  38           HA       LEU  38  -3.730   0.984  -0.945
  436   1HB   LEU  38          2HB       LEU  38  -6.150   1.103  -1.400
  437   2HB   LEU  38          1HB       LEU  38  -6.025   2.792  -1.784
  438    HG   LEU  38           HG       LEU  38  -6.432   1.255  -3.723
  439   1HD1  LEU  38          1HD1      LEU  38  -3.921   2.891  -3.931
  440   2HD1  LEU  38          3HD1      LEU  38  -4.872   2.284  -5.287
  441   3HD1  LEU  38          2HD1      LEU  38  -5.573   3.460  -4.174
  442   1HD2  LEU  38          3HD2      LEU  38  -3.649   0.331  -3.090
  443   2HD2  LEU  38          2HD2      LEU  38  -5.147  -0.613  -3.197
  444   3HD2  LEU  38          1HD2      LEU  38  -4.451   0.076  -4.646
  445    MD1  LEU  38           QD1      LEU  38  -4.789   2.879  -4.464
  446    MD2  LEU  38           QD2      LEU  38  -4.416  -0.069  -3.644
  447    QB   LEU  38           QB       LEU  38  -6.088   1.947  -1.592
  448    QD   LEU  38           QQD      LEU  38  -4.602   1.405  -4.054
  449    H    ASP  39           H        ASP  39  -4.550   4.372  -1.101
  450    HA   ASP  39           HA       ASP  39  -2.717   5.254  -3.010
  451   1HB   ASP  39          2HB       ASP  39  -4.597   6.598  -2.371
  452   2HB   ASP  39          1HB       ASP  39  -4.052   6.660  -0.705
  453    QB   ASP  39           QB       ASP  39  -4.324   6.629  -1.538
  454    H    ARG  40           H        ARG  40  -2.423   4.999   0.490
  455    HA   ARG  40           HA       ARG  40   0.061   6.362   0.579
  456   1HB   ARG  40          2HB       ARG  40  -1.575   6.261   2.457
  457   2HB   ARG  40          1HB       ARG  40  -1.125   4.581   2.699
  458   1HG   ARG  40          2HG       ARG  40   1.108   5.191   3.275
  459   2HG   ARG  40          1HG       ARG  40   0.805   6.875   2.845
  460   1HD   ARG  40          2HD       ARG  40  -0.928   6.953   4.611
  461   2HD   ARG  40          1HD       ARG  40  -0.457   5.321   5.091
  462    HE   ARG  40           HE       ARG  40   1.850   6.441   5.281
  463   1HH1  ARG  40          1HH1      ARG  40  -1.242   7.869   6.240
  464   2HH1  ARG  40          2HH1      ARG  40  -0.569   8.926   7.389
  465   1HH2  ARG  40          1HH2      ARG  40   2.781   7.822   6.896
  466   2HH2  ARG  40          2HH2      ARG  40   1.784   8.862   7.810
  467    QB   ARG  40           QB       ARG  40  -1.350   5.421   2.578
  468    QG   ARG  40           QG       ARG  40   0.956   6.033   3.060
  469    QD   ARG  40           QD       ARG  40  -0.693   6.137   4.851
  470    QH1  ARG  40           QH1      ARG  40  -0.905   8.398   6.815
  471    QH2  ARG  40           QH2      ARG  40   2.283   8.342   7.353
  472    H    LEU  41           H        LEU  41  -0.822   2.921   0.571
  473    HA   LEU  41           HA       LEU  41   1.828   2.013   0.937
  474   1HB   LEU  41          2HB       LEU  41  -0.690   0.711   0.010
  475   2HB   LEU  41          1HB       LEU  41   0.826  -0.096  -0.329
  476    HG   LEU  41           HG       LEU  41   1.329  -0.209   2.059
  477   1HD1  LEU  41          1HD1      LEU  41  -1.360   1.066   2.483
  478   2HD1  LEU  41          3HD1      LEU  41  -0.357   0.341   3.738
  479   3HD1  LEU  41          2HD1      LEU  41   0.210   1.766   2.868
  480   1HD2  LEU  41          2HD2      LEU  41  -1.390  -1.284   1.340
  481   2HD2  LEU  41          1HD2      LEU  41   0.164  -2.060   1.034
  482   3HD2  LEU  41          3HD2      LEU  41  -0.400  -1.831   2.689
  483    MD1  LEU  41           QD1      LEU  41  -0.502   1.058   3.030
  484    MD2  LEU  41           QD2      LEU  41  -0.542  -1.725   1.688
  485    QB   LEU  41           QB       LEU  41   0.068   0.308  -0.160
  486    QD   LEU  41           QQD      LEU  41  -0.522  -0.334   2.359
  487    H    LEU  42           H        LEU  42   0.029   2.942  -1.870
  488    HA   LEU  42           HA       LEU  42   1.907   2.055  -3.801
  489   1HB   LEU  42          2HB       LEU  42  -0.522   2.759  -4.152
  490   2HB   LEU  42          1HB       LEU  42   0.007   4.413  -3.996
  491    HG   LEU  42           HG       LEU  42   0.983   2.569  -6.198
  492   1HD1  LEU  42          3HD1      LEU  42  -1.288   4.548  -6.233
  493   2HD1  LEU  42          2HD1      LEU  42  -0.653   3.688  -7.635
  494   3HD1  LEU  42          1HD1      LEU  42  -1.437   2.794  -6.332
  495   1HD2  LEU  42          2HD2      LEU  42   2.386   4.553  -5.782
  496   2HD2  LEU  42          1HD2      LEU  42   1.553   4.664  -7.335
  497   3HD2  LEU  42          3HD2      LEU  42   0.963   5.582  -5.951
  498    MD1  LEU  42           QD1      LEU  42  -1.126   3.677  -6.733
  499    MD2  LEU  42           QD2      LEU  42   1.634   4.933  -6.356
  500    QB   LEU  42           QB       LEU  42  -0.257   3.586  -4.074
  501    QD   LEU  42           QQD      LEU  42   0.254   4.305  -6.545
  502    H    ASN  43           H        ASN  43   1.510   5.012  -1.957
  503    HA   ASN  43           HA       ASN  43   3.664   6.431  -3.125
  504   1HB   ASN  43          2HB       ASN  43   2.033   6.847  -0.662
  505   2HB   ASN  43          1HB       ASN  43   3.549   7.720  -0.820
  506   1HD2  ASN  43          1HD2      ASN  43   0.328   7.299  -2.129
  507   2HD2  ASN  43          2HD2      ASN  43   0.349   8.758  -3.047
  508    QB   ASN  43           QB       ASN  43   2.791   7.284  -0.741
  509    QD   ASN  43           QD2      ASN  43   0.338   8.028  -2.588
  510    H    LEU  44           H        LEU  44   3.590   3.984  -0.724
  511    HA   LEU  44           HA       LEU  44   6.048   4.537   0.525
  512   1HB   LEU  44          2HB       LEU  44   4.631   1.915   0.107
  513   2HB   LEU  44          1HB       LEU  44   6.061   2.075   1.096
  514    HG   LEU  44           HG       LEU  44   3.383   3.378   1.619
  515   1HD1  LEU  44          2HD1      LEU  44   3.385   0.975   2.022
  516   2HD1  LEU  44          1HD1      LEU  44   4.814   1.135   3.037
  517   3HD1  LEU  44          3HD1      LEU  44   3.292   1.866   3.542
  518   1HD2  LEU  44          1HD2      LEU  44   5.934   3.436   3.234
  519   2HD2  LEU  44          3HD2      LEU  44   5.178   4.807   2.413
  520   3HD2  LEU  44          2HD2      LEU  44   4.368   4.039   3.775
  521    MD1  LEU  44           QD1      LEU  44   3.830   1.325   2.867
  522    MD2  LEU  44           QD2      LEU  44   5.160   4.094   3.141
  523    QB   LEU  44           QB       LEU  44   5.346   1.995   0.602
  524    QD   LEU  44           QQD      LEU  44   4.495   2.710   3.004
  525    H    LEU  45           H        LEU  45   5.283   2.728  -2.398
  526    HA   LEU  45           HA       LEU  45   7.962   1.870  -2.860
  527   1HB   LEU  45          2HB       LEU  45   5.613   2.120  -4.748
  528   2HB   LEU  45          1HB       LEU  45   7.192   1.610  -5.294
  529    HG   LEU  45           HG       LEU  45   7.018  -0.354  -3.740
  530   1HD1  LEU  45          2HD1      LEU  45   4.188   0.591  -3.431
  531   2HD1  LEU  45          1HD1      LEU  45   4.812  -0.981  -2.914
  532   3HD1  LEU  45          3HD1      LEU  45   5.410   0.502  -2.168
  533   1HD2  LEU  45          2HD2      LEU  45   6.534  -0.569  -6.113
  534   2HD2  LEU  45          1HD2      LEU  45   5.473  -1.603  -5.155
  535   3HD2  LEU  45          3HD2      LEU  45   4.860  -0.092  -5.824
  536    MD1  LEU  45           QD1      LEU  45   4.804   0.037  -2.838
  537    MD2  LEU  45           QD2      LEU  45   5.623  -0.755  -5.697
  538    QB   LEU  45           QB       LEU  45   6.403   1.865  -5.021
  539    QD   LEU  45           QQD      LEU  45   5.213  -0.359  -4.268
  540    H    ILE  46           H        ILE  46   6.052   4.610  -3.915
  541    HA   ILE  46           HA       ILE  46   7.901   5.810  -5.648
  542    HB   ILE  46           HB       ILE  46   5.857   7.164  -3.853
  543   1HG1  ILE  46          2HG1      ILE  46   5.634   6.272  -6.740
  544   2HG1  ILE  46          1HG1      ILE  46   4.873   5.483  -5.365
  545   1HG2  ILE  46          2HG2      ILE  46   7.516   8.763  -4.670
  546   2HG2  ILE  46          1HG2      ILE  46   7.244   8.222  -6.327
  547   3HG2  ILE  46          3HG2      ILE  46   5.953   9.037  -5.440
  548   1HD1  ILE  46          2HD1      ILE  46   4.304   8.273  -6.337
  549   2HD1  ILE  46          1HD1      ILE  46   3.285   6.855  -6.591
  550   3HD1  ILE  46          3HD1      ILE  46   3.533   7.486  -4.963
  551    MG   ILE  46           QG2      ILE  46   6.904   8.674  -5.479
  552    MD   ILE  46           QD1      ILE  46   3.707   7.538  -5.964
  553    QG   ILE  46           QG1      ILE  46   5.253   5.877  -6.052
  554    H    GLU  47           H        GLU  47   7.423   6.132  -2.166
  555    HA   GLU  47           HA       GLU  47   9.400   8.038  -1.650
  556   1HB   GLU  47          2HB       GLU  47   7.712   7.396   0.018
  557   2HB   GLU  47          1HB       GLU  47   8.441   5.797   0.142
  558   1HG   GLU  47          2HG       GLU  47  10.544   6.884   0.832
  559   2HG   GLU  47          1HG       GLU  47   9.691   8.424   0.923
  560    QB   GLU  47           QB       GLU  47   8.076   6.596   0.080
  561    QG   GLU  47           QG       GLU  47  10.118   7.654   0.877
  562    H    LEU  48           H        LEU  48   9.525   4.494  -1.519
  563    HA   LEU  48           HA       LEU  48  12.165   4.286  -0.639
  564   1HB   LEU  48          2HB       LEU  48  10.488   2.529  -0.535
  565   2HB   LEU  48          1HB       LEU  48  10.644   2.305  -2.264
  566    HG   LEU  48           HG       LEU  48  12.885   1.476  -2.055
  567   1HD1  LEU  48          3HD1      LEU  48  12.662   2.185   0.884
  568   2HD1  LEU  48          2HD1      LEU  48  14.018   1.342   0.136
  569   3HD1  LEU  48          1HD1      LEU  48  13.686   3.023  -0.280
  570   1HD2  LEU  48          3HD2      LEU  48  11.050  -0.022  -1.544
  571   2HD2  LEU  48          2HD2      LEU  48  12.516  -0.411  -0.596
  572   3HD2  LEU  48          1HD2      LEU  48  11.177   0.511   0.134
  573    MD1  LEU  48           QD1      LEU  48  13.455   2.183   0.247
  574    MD2  LEU  48           QD2      LEU  48  11.581   0.026  -0.669
  575    QB   LEU  48           QB       LEU  48  10.566   2.417  -1.400
  576    QD   LEU  48           QQD      LEU  48  12.518   1.105  -0.211
  577    H    LYS  49           H        LYS  49  10.871   4.478  -3.909
  578    HA   LYS  49           HA       LYS  49  13.385   3.931  -5.142
  579   1HB   LYS  49          2HB       LYS  49  10.936   5.267  -6.314
  580   2HB   LYS  49          1HB       LYS  49  12.321   4.725  -7.241
  581   1HG   LYS  49          2HG       LYS  49  10.394   2.994  -5.694
  582   2HG   LYS  49          1HG       LYS  49  10.519   3.133  -7.445
  583   1HD   LYS  49          2HD       LYS  49  12.723   2.078  -5.651
  584   2HD   LYS  49          1HD       LYS  49  11.558   1.081  -6.505
  585   1HE   LYS  49          2HE       LYS  49  13.409   3.011  -7.895
  586   2HE   LYS  49          1HE       LYS  49  13.794   1.313  -7.626
  587   1HZ   LYS  49          2HZ       LYS  49  11.451   2.308  -9.172
  588   2HZ   LYS  49          1HZ       LYS  49  12.876   1.674  -9.824
  589   3HZ   LYS  49          3HZ       LYS  49  11.860   0.707  -8.893
  590    QB   LYS  49           QB       LYS  49  11.629   4.996  -6.777
  591    QD   LYS  49           QD       LYS  49  12.140   1.579  -6.078
  592    QG   LYS  49           QG       LYS  49  10.457   3.063  -6.570
  593    QE   LYS  49           QE       LYS  49  13.601   2.162  -7.760
  594    QZ   LYS  49           QZ       LYS  49  12.062   1.563  -9.296
  595    H    THR  50           H        THR  50  11.591   6.931  -4.573
  596    HA   THR  50           HA       THR  50  13.537   8.607  -5.760
  597    HB   THR  50           HB       THR  50  11.417   9.401  -3.750
  598    HG1  THR  50          1HG       THR  50  10.193   8.460  -5.219
  599   1HG2  THR  50          2HG2      THR  50  12.694  10.862  -6.078
  600   2HG2  THR  50          1HG2      THR  50  11.433  11.516  -5.032
  601   3HG2  THR  50          3HG2      THR  50  13.029  11.155  -4.372
  602    MG   THR  50           QG2      THR  50  12.385  11.178  -5.160
  603    H    LYS  51           H        LYS  51  13.308   7.117  -2.674
  604    HA   LYS  51           HA       LYS  51  14.542   8.858  -0.919
  605   1HB   LYS  51          2HB       LYS  51  13.580   6.292  -0.834
  606   2HB   LYS  51          1HB       LYS  51  15.303   6.025  -0.670
  607   1HG   LYS  51          2HG       LYS  51  14.309   6.145   1.521
  608   2HG   LYS  51          1HG       LYS  51  15.316   7.570   1.274
  609   1HD   LYS  51          2HD       LYS  51  13.379   8.932   0.803
  610   2HD   LYS  51          1HD       LYS  51  12.354   7.498   0.811
  611   1HE   LYS  51          2HE       LYS  51  13.893   8.494   3.217
  612   2HE   LYS  51          1HE       LYS  51  12.216   8.919   2.889
  613   1HZ   LYS  51          2HZ       LYS  51  13.207   6.138   3.284
  614   2HZ   LYS  51          1HZ       LYS  51  12.480   7.046   4.464
  615   3HZ   LYS  51          3HZ       LYS  51  11.596   6.581   3.120
  616    QB   LYS  51           QB       LYS  51  14.442   6.159  -0.752
  617    QD   LYS  51           QD       LYS  51  12.866   8.215   0.807
  618    QG   LYS  51           QG       LYS  51  14.812   6.858   1.397
  619    QE   LYS  51           QE       LYS  51  13.054   8.707   3.053
  620    QZ   LYS  51           QZ       LYS  51  12.428   6.588   3.623
  621    H    LYS  52           H        LYS  52  15.832   6.727  -3.339
  622    HA   LYS  52           HA       LYS  52  17.788   6.242  -4.253
  623   1HB   LYS  52          2HB       LYS  52  19.250   8.079  -4.939
  624   2HB   LYS  52          1HB       LYS  52  17.550   8.399  -5.238
  625   1HG   LYS  52          2HG       LYS  52  17.452   9.882  -3.371
  626   2HG   LYS  52          1HG       LYS  52  19.098   9.470  -2.897
  627   1HD   LYS  52          2HD       LYS  52  19.952  10.403  -4.922
  628   2HD   LYS  52          1HD       LYS  52  18.327  10.714  -5.523
  629   1HE   LYS  52          2HE       LYS  52  17.894  12.237  -3.670
  630   2HE   LYS  52          1HE       LYS  52  19.493  11.928  -3.004
  631   1HZ   LYS  52          2HZ       LYS  52  18.957  13.207  -5.637
  632   2HZ   LYS  52          1HZ       LYS  52  19.320  14.021  -4.212
  633   3HZ   LYS  52          3HZ       LYS  52  20.468  13.008  -4.906
  634    QB   LYS  52           QB       LYS  52  18.400   8.239  -5.089
  635    QD   LYS  52           QD       LYS  52  19.139  10.559  -5.222
  636    QG   LYS  52           QG       LYS  52  18.275   9.676  -3.134
  637    QE   LYS  52           QE       LYS  52  18.694  12.082  -3.337
  638    QZ   LYS  52           QZ       LYS  52  19.582  13.412  -4.919
  639    H    LYS  53           H        LYS  53  17.971   6.857  -1.105
  640    HA   LYS  53           HA       LYS  53  20.797   6.623  -0.619
  641   1HB   LYS  53          2HB       LYS  53  20.052   6.270   1.714
  642   2HB   LYS  53          1HB       LYS  53  19.322   7.683   0.959
  643   1HG   LYS  53          2HG       LYS  53  17.235   6.553   0.636
  644   2HG   LYS  53          1HG       LYS  53  17.932   5.019   1.127
  645   1HD   LYS  53          2HD       LYS  53  17.848   7.376   2.981
  646   2HD   LYS  53          1HD       LYS  53  16.471   6.290   2.817
  647   1HE   LYS  53          2HE       LYS  53  17.733   5.583   4.724
  648   2HE   LYS  53          1HE       LYS  53  17.984   4.407   3.446
  649   1HZ   LYS  53          2HZ       LYS  53  19.917   6.554   4.144
  650   2HZ   LYS  53          1HZ       LYS  53  19.972   4.993   4.722
  651   3HZ   LYS  53          3HZ       LYS  53  20.198   5.259   3.088
  652    QB   LYS  53           QB       LYS  53  19.687   6.977   1.336
  653    QD   LYS  53           QD       LYS  53  17.160   6.833   2.899
  654    QG   LYS  53           QG       LYS  53  17.583   5.786   0.882
  655    QE   LYS  53           QE       LYS  53  17.859   4.995   4.085
  656    QZ   LYS  53           QZ       LYS  53  20.029   5.602   3.985
  657    H    ARG  54           H        ARG  54  19.807   4.723  -2.359
  658    HA   ARG  54           HA       ARG  54  19.584   2.177  -0.967
  659   1HB   ARG  54          2HB       ARG  54  19.230   2.980  -3.860
  660   2HB   ARG  54          1HB       ARG  54  18.975   1.355  -3.233
  661   1HG   ARG  54          2HG       ARG  54  17.090   2.061  -1.963
  662   2HG   ARG  54          1HG       ARG  54  17.455   3.756  -2.250
  663   1HD   ARG  54          2HD       ARG  54  15.574   2.984  -3.618
  664   2HD   ARG  54          1HD       ARG  54  16.933   3.504  -4.602
  665    HE   ARG  54           HE       ARG  54  17.410   1.203  -5.069
  666   1HH1  ARG  54          1HH1      ARG  54  14.256   1.745  -3.495
  667   2HH1  ARG  54          2HH1      ARG  54  13.565   0.329  -4.170
  668   1HH2  ARG  54          1HH2      ARG  54  16.403  -0.714  -5.973
  669   2HH2  ARG  54          2HH2      ARG  54  14.806  -1.088  -5.577
  670    QB   ARG  54           QB       ARG  54  19.103   2.167  -3.547
  671    QG   ARG  54           QG       ARG  54  17.273   2.909  -2.106
  672    QD   ARG  54           QD       ARG  54  16.254   3.244  -4.110
  673    QH1  ARG  54           QH1      ARG  54  13.910   1.037  -3.832
  674    QH2  ARG  54           QH2      ARG  54  15.605  -0.901  -5.775
  675    H    TYR  55           H        TYR  55  21.490   1.251  -0.584
  676    HA   TYR  55           HA       TYR  55  23.915   1.943  -1.734
  677   1HB   TYR  55          2HB       TYR  55  24.677  -0.379  -0.842
  678   2HB   TYR  55          1HB       TYR  55  24.162   0.852   0.298
  679    HD1  TYR  55          1HD       TYR  55  22.656   0.287   1.924
  680    HD2  TYR  55          2HD       TYR  55  22.759  -2.061  -1.618
  681    HE1  TYR  55          1HE       TYR  55  21.012  -1.243   2.900
  682    HE2  TYR  55          2HE       TYR  55  21.107  -3.606  -0.642
  683    HH   TYR  55           HH       TYR  55  19.434  -2.825   2.278
  684    QB   TYR  55           QB       TYR  55  24.419   0.236  -0.272
  685    QD   TYR  55           QD       TYR  55  22.708  -0.887   0.153
  686    QE   TYR  55           QE       TYR  55  21.059  -2.424   1.129
  687    QR   TYR  55           QR       TYR  55  21.884  -1.656   0.641
  688    H    SER  56           H        SER  56  21.472  -0.050  -3.030
  689    HA   SER  56           HA       SER  56  22.994  -1.525  -4.848
  690   1HB   SER  56          2HB       SER  56  20.646  -1.623  -5.912
  691   2HB   SER  56          1HB       SER  56  20.876  -2.313  -4.299
  692    HG   SER  56           HG       SER  56  19.204  -0.470  -5.017
  693    QB   SER  56           QB       SER  56  20.761  -1.968  -5.106
  694    H    LEU  57           H        LEU  57  21.795   1.769  -4.799
  695    HA   LEU  57           HA       LEU  57  22.262   2.210  -7.641
  696   1HB   LEU  57          2HB       LEU  57  21.721   4.169  -5.393
  697   2HB   LEU  57          1HB       LEU  57  21.871   4.605  -7.075
  698    HG   LEU  57           HG       LEU  57  19.669   2.924  -5.875
  699   1HD1  LEU  57          2HD1      LEU  57  19.561   5.299  -5.220
  700   2HD1  LEU  57          1HD1      LEU  57  19.674   5.787  -6.895
  701   3HD1  LEU  57          3HD1      LEU  57  18.262   4.898  -6.339
  702   1HD2  LEU  57          2HD2      LEU  57  20.159   2.311  -8.198
  703   2HD2  LEU  57          1HD2      LEU  57  18.607   3.139  -8.065
  704   3HD2  LEU  57          3HD2      LEU  57  20.019   4.003  -8.671
  705    MD1  LEU  57           QD1      LEU  57  19.166   5.328  -6.151
  706    MD2  LEU  57           QD2      LEU  57  19.595   3.151  -8.311
  707    QB   LEU  57           QB       LEU  57  21.796   4.387  -6.234
  708    QD   LEU  57           QQD      LEU  57  19.380   4.240  -7.231
  709    H    LEU  58           H        LEU  58  23.732   2.679  -4.576
  710    HA   LEU  58           HA       LEU  58  25.787   4.461  -5.427
  711   1HB   LEU  58          2HB       LEU  58  25.552   2.873  -2.878
  712   2HB   LEU  58          1HB       LEU  58  26.622   4.232  -3.155
  713    HG   LEU  58           HG       LEU  58  23.604   4.388  -3.171
  714   1HD1  LEU  58          2HD1      LEU  58  25.582   5.236  -1.077
  715   2HD1  LEU  58          1HD1      LEU  58  23.854   5.595  -1.062
  716   3HD1  LEU  58          3HD1      LEU  58  24.408   3.926  -0.945
  717   1HD2  LEU  58          1HD2      LEU  58  25.698   6.559  -3.290
  718   2HD2  LEU  58          3HD2      LEU  58  24.618   6.075  -4.601
  719   3HD2  LEU  58          2HD2      LEU  58  23.960   6.818  -3.145
  720    MD1  LEU  58           QD1      LEU  58  24.615   4.919  -1.028
  721    MD2  LEU  58           QD2      LEU  58  24.759   6.484  -3.679
  722    QB   LEU  58           QB       LEU  58  26.087   3.553  -3.017
  723    QD   LEU  58           QQD      LEU  58  24.687   5.702  -2.353
  724    H    GLU  59           H        GLU  59  25.760   1.009  -4.489
  725    HA   GLU  59           HA       GLU  59  28.107   0.752  -6.110
  726   1HB   GLU  59          2HB       GLU  59  29.225  -0.650  -4.370
  727   2HB   GLU  59          1HB       GLU  59  29.086   1.063  -4.004
  728   1HG   GLU  59          2HG       GLU  59  27.146   0.547  -2.555
  729   2HG   GLU  59          1HG       GLU  59  27.419  -1.169  -2.862
  730    QB   GLU  59           QB       GLU  59  29.156   0.206  -4.187
  731    QG   GLU  59           QG       GLU  59  27.282  -0.311  -2.708
  732    H    HIS  60           H        HIS  60  26.593  -0.096  -7.534
  733    HA   HIS  60           HA       HIS  60  25.926  -2.920  -7.033
  734   1HB   HIS  60          2HB       HIS  60  24.532  -2.766  -9.081
  735   2HB   HIS  60          1HB       HIS  60  24.055  -1.553  -7.907
  736    HD1  HIS  60          1HD       HIS  60  25.362  -1.943 -11.376
  737    HD2  HIS  60          2HD       HIS  60  24.692   1.125  -8.657
  738    HE1  HIS  60          1HE       HIS  60  25.490   0.184 -12.687
  739    QB   HIS  60           QB       HIS  60  24.293  -2.160  -8.494
  740    H    HIS  61           H        HIS  61  28.393  -1.377  -7.705
  741    HA   HIS  61           HA       HIS  61  29.308  -2.170 -10.303
  742   1HB   HIS  61          2HB       HIS  61  29.918  -0.063  -9.073
  743   2HB   HIS  61          1HB       HIS  61  30.828  -1.056  -7.948
  744    HD1  HIS  61          1HD       HIS  61  33.092  -2.160  -8.939
  745    HD2  HIS  61          2HD       HIS  61  31.093   0.520 -11.404
  746    HE1  HIS  61          1HE       HIS  61  34.730  -1.483 -10.717
  747    QB   HIS  61           QB       HIS  61  30.373  -0.559  -8.510
  748    H    HIS  62           H        HIS  62  30.399  -4.030 -10.723
  749    HA   HIS  62           HA       HIS  62  30.900  -5.811  -8.526
  750   1HB   HIS  62          2HB       HIS  62  31.079  -6.208 -11.508
  751   2HB   HIS  62          1HB       HIS  62  31.670  -7.413 -10.371
  752    HD1  HIS  62          1HD       HIS  62  28.558  -6.171 -11.945
  753    HD2  HIS  62          2HD       HIS  62  29.650  -8.553  -8.722
  754    HE1  HIS  62          1HE       HIS  62  26.491  -7.448 -11.279
  755    QB   HIS  62           QB       HIS  62  31.375  -6.810 -10.939
  756    H    HIS  63           H        HIS  63  32.407  -4.825  -7.465
  757    HA   HIS  63           HA       HIS  63  35.049  -4.723  -8.689
  758   1HB   HIS  63          2HB       HIS  63  35.625  -3.332  -6.558
  759   2HB   HIS  63          1HB       HIS  63  34.724  -2.560  -7.849
  760    HD1  HIS  63          1HD       HIS  63  33.070  -0.990  -6.783
  761    HD2  HIS  63          2HD       HIS  63  33.457  -4.533  -4.637
  762    HE1  HIS  63          1HE       HIS  63  31.397  -0.868  -4.926
  763    QB   HIS  63           QB       HIS  63  35.175  -2.946  -7.203
  764    H    HIS  64           H        HIS  64  36.696  -5.911  -7.890
  765    HA   HIS  64           HA       HIS  64  35.907  -7.913  -5.955
  766   1HB   HIS  64          2HB       HIS  64  37.965  -7.895  -8.161
  767   2HB   HIS  64          1HB       HIS  64  37.760  -9.199  -7.006
  768    HD1  HIS  64          1HD       HIS  64  36.088 -11.004  -7.698
  769    HD2  HIS  64          2HD       HIS  64  35.620  -7.484  -9.839
  770    HE1  HIS  64          1HE       HIS  64  34.412 -11.506  -9.513
  771    QB   HIS  64           QB       HIS  64  37.862  -8.547  -7.584

  No H/Q in entry =         771
  Start of MODEL   25
    1    H1   MET   1          1HT       MET   1  11.703  -6.553   1.707
    2    H2   MET   1          3HT       MET   1  11.136  -8.130   1.969
    3    H3   MET   1          2HT       MET   1  12.191  -7.395   3.047
    4    HA   MET   1           HA       MET   1  13.977  -7.361   1.542
    5   1HB   MET   1          2HB       MET   1  12.630 -10.069   1.513
    6   2HB   MET   1          1HB       MET   1  14.324  -9.778   1.164
    7   1HG   MET   1          2HG       MET   1  14.683  -9.010   3.428
    8   2HG   MET   1          1HG       MET   1  12.968  -9.201   3.786
    9   1HE   MET   1          2HE       MET   1  13.365 -10.679   5.875
   10   2HE   MET   1          1HE       MET   1  14.457 -12.061   5.913
   11   3HE   MET   1          3HE       MET   1  15.100 -10.436   5.675
   12    QB   MET   1           QB       MET   1  13.477  -9.923   1.339
   13    QG   MET   1           QG       MET   1  13.826  -9.106   3.607
   14    ME   MET   1           QE       MET   1  14.307 -11.058   5.821
   15    H    ASN   2           H        ASN   2  10.885  -7.838  -0.010
   16    HA   ASN   2           HA       ASN   2  12.206  -7.815  -2.617
   17   1HB   ASN   2          2HB       ASN   2   9.881  -9.633  -1.876
   18   2HB   ASN   2          1HB       ASN   2  10.617  -9.495  -3.465
   19   1HD2  ASN   2          1HD2      ASN   2  12.622 -10.476  -3.815
   20   2HD2  ASN   2          2HD2      ASN   2  13.282 -11.656  -2.758
   21    QB   ASN   2           QB       ASN   2  10.249  -9.564  -2.671
   22    QD   ASN   2           QD2      ASN   2  12.952 -11.066  -3.287
   23    H    VAL   3           H        VAL   3  11.383  -6.055  -3.638
   24    HA   VAL   3           HA       VAL   3   9.326  -4.505  -2.550
   25    HB   VAL   3           HB       VAL   3   9.314  -3.172  -4.646
   26   1HG1  VAL   3          3HG1      VAL   3  10.928  -2.685  -2.896
   27   2HG1  VAL   3          2HG1      VAL   3  12.059  -3.829  -3.621
   28   3HG1  VAL   3          1HG1      VAL   3  11.608  -2.367  -4.494
   29   1HG2  VAL   3          3HG2      VAL   3   9.690  -4.953  -6.267
   30   2HG2  VAL   3          2HG2      VAL   3  10.918  -3.697  -6.439
   31   3HG2  VAL   3          1HG2      VAL   3  11.311  -5.214  -5.627
   32    MG1  VAL   3           QG1      VAL   3  11.532  -2.960  -3.670
   33    MG2  VAL   3           QG2      VAL   3  10.640  -4.621  -6.111
   34    QG   VAL   3           QQG      VAL   3  11.086  -3.791  -4.891
   35    H    THR   4           H        THR   4   9.087  -7.152  -4.707
   36    HA   THR   4           HA       THR   4   6.622  -6.552  -5.858
   37    HB   THR   4           HB       THR   4   8.152  -8.325  -6.713
   38    HG1  THR   4          1HG       THR   4   6.381  -9.919  -7.039
   39   1HG2  THR   4          3HG2      THR   4   8.756  -9.383  -4.586
   40   2HG2  THR   4          2HG2      THR   4   7.097  -9.950  -4.395
   41   3HG2  THR   4          1HG2      THR   4   8.097 -10.577  -5.709
   42    MG   THR   4           QG2      THR   4   7.983  -9.970  -4.897
   43    H    LYS   5           H        LYS   5   7.409  -7.834  -2.689
   44    HA   LYS   5           HA       LYS   5   4.781  -8.813  -2.172
   45   1HB   LYS   5          2HB       LYS   5   5.419  -9.159   0.121
   46   2HB   LYS   5          1HB       LYS   5   6.775  -9.637  -0.886
   47   1HG   LYS   5          2HG       LYS   5   7.830  -7.440  -0.376
   48   2HG   LYS   5          1HG       LYS   5   6.499  -7.100   0.719
   49   1HD   LYS   5          2HD       LYS   5   8.359  -9.474   0.991
   50   2HD   LYS   5          1HD       LYS   5   8.614  -7.943   1.801
   51   1HE   LYS   5          2HE       LYS   5   7.628  -9.449   3.381
   52   2HE   LYS   5          1HE       LYS   5   6.415  -8.261   2.956
   53   1HZ   LYS   5          1HZ       LYS   5   6.545 -11.003   1.802
   54   2HZ   LYS   5          3HZ       LYS   5   5.614 -10.581   3.114
   55   3HZ   LYS   5          2HZ       LYS   5   5.259  -9.924   1.631
   56    QB   LYS   5           QB       LYS   5   6.097  -9.398  -0.382
   57    QD   LYS   5           QD       LYS   5   8.487  -8.709   1.396
   58    QG   LYS   5           QG       LYS   5   7.164  -7.270   0.171
   59    QE   LYS   5           QE       LYS   5   7.022  -8.855   3.169
   60    QZ   LYS   5           QZ       LYS   5   5.806 -10.503   2.182
   61    H    LEU   6           H        LEU   6   6.296  -5.753  -1.976
   62    HA   LEU   6           HA       LEU   6   4.426  -4.508  -0.260
   63   1HB   LEU   6          2HB       LEU   6   6.679  -3.574  -0.774
   64   2HB   LEU   6          1HB       LEU   6   6.120  -3.295  -2.417
   65    HG   LEU   6           HG       LEU   6   4.493  -1.671  -1.639
   66   1HD1  LEU   6          2HD1      LEU   6   5.620  -2.217   1.107
   67   2HD1  LEU   6          1HD1      LEU   6   4.482  -0.932   0.696
   68   3HD1  LEU   6          3HD1      LEU   6   4.000  -2.621   0.548
   69   1HD2  LEU   6          1HD2      LEU   6   6.750  -0.930  -2.223
   70   2HD2  LEU   6          3HD2      LEU   6   6.052   0.064  -0.948
   71   3HD2  LEU   6          2HD2      LEU   6   7.263  -1.157  -0.552
   72    MD1  LEU   6           QD1      LEU   6   4.701  -1.923   0.784
   73    MD2  LEU   6           QD2      LEU   6   6.688  -0.674  -1.241
   74    QB   LEU   6           QB       LEU   6   6.399  -3.435  -1.595
   75    QD   LEU   6           QQD      LEU   6   5.694  -1.299  -0.229
   76    H    ASN   7           H        ASN   7   4.766  -4.741  -3.777
   77    HA   ASN   7           HA       ASN   7   2.400  -3.295  -4.348
   78   1HB   ASN   7          2HB       ASN   7   4.163  -3.646  -6.051
   79   2HB   ASN   7          1HB       ASN   7   3.791  -5.367  -6.070
   80   1HD2  ASN   7          1HD2      ASN   7   3.222  -5.417  -8.204
   81   2HD2  ASN   7          2HD2      ASN   7   1.798  -4.665  -8.826
   82    QB   ASN   7           QB       ASN   7   3.977  -4.507  -6.061
   83    QD   ASN   7           QD2      ASN   7   2.510  -5.041  -8.515
   84    H    ASP   8           H        ASP   8   3.140  -6.664  -3.862
   85    HA   ASP   8           HA       ASP   8   0.748  -7.919  -4.461
   86   1HB   ASP   8          2HB       ASP   8   2.699  -9.209  -3.904
   87   2HB   ASP   8          1HB       ASP   8   2.748  -8.510  -2.290
   88    QB   ASP   8           QB       ASP   8   2.724  -8.860  -3.097
   89    H    ARG   9           H        ARG   9   1.655  -6.286  -1.425
   90    HA   ARG   9           HA       ARG   9  -0.779  -7.034  -0.131
   91   1HB   ARG   9          2HB       ARG   9  -0.138  -5.691   1.728
   92   2HB   ARG   9          1HB       ARG   9   1.355  -6.363   1.103
   93   1HG   ARG   9          2HG       ARG   9   1.872  -4.273   0.027
   94   2HG   ARG   9          1HG       ARG   9   0.340  -3.598   0.578
   95   1HD   ARG   9          2HD       ARG   9   2.088  -2.866   2.014
   96   2HD   ARG   9          1HD       ARG   9   1.050  -3.976   2.904
   97    HE   ARG   9           HE       ARG   9   3.033  -5.570   1.946
   98   1HH1  ARG   9          1HH1      ARG   9   2.935  -2.689   4.003
   99   2HH1  ARG   9          2HH1      ARG   9   4.419  -2.991   4.749
  100   1HH2  ARG   9          1HH2      ARG   9   5.038  -6.028   3.008
  101   2HH2  ARG   9          2HH2      ARG   9   5.635  -4.964   4.197
  102    QB   ARG   9           QB       ARG   9   0.608  -6.027   1.415
  103    QG   ARG   9           QG       ARG   9   1.106  -3.935   0.303
  104    QD   ARG   9           QD       ARG   9   1.569  -3.421   2.459
  105    QH1  ARG   9           QH1      ARG   9   3.677  -2.840   4.376
  106    QH2  ARG   9           QH2      ARG   9   5.336  -5.496   3.602
  107    H    ILE  10           H        ILE  10   0.195  -4.410  -2.160
  108    HA   ILE  10           HA       ILE  10  -1.982  -2.673  -1.583
  109    HB   ILE  10           HB       ILE  10  -0.280  -2.834  -4.098
  110   1HG1  ILE  10          2HG1      ILE  10  -0.032  -1.050  -1.693
  111   2HG1  ILE  10          1HG1      ILE  10   0.995  -2.443  -2.001
  112   1HG2  ILE  10          2HG2      ILE  10  -2.386  -1.602  -4.472
  113   2HG2  ILE  10          1HG2      ILE  10  -2.049  -0.594  -3.070
  114   3HG2  ILE  10          3HG2      ILE  10  -1.008  -0.504  -4.489
  115   1HD1  ILE  10          2HD1      ILE  10   0.809   0.042  -3.691
  116   2HD1  ILE  10          1HD1      ILE  10   2.115  -0.375  -2.582
  117   3HD1  ILE  10          3HD1      ILE  10   1.841  -1.353  -4.022
  118    MG   ILE  10           QG2      ILE  10  -1.814  -0.900  -4.010
  119    MD   ILE  10           QD1      ILE  10   1.588  -0.562  -3.432
  120    QG   ILE  10           QG1      ILE  10   0.481  -1.746  -1.847
  121    H    GLU  11           H        GLU  11  -1.295  -5.050  -4.091
  122    HA   GLU  11           HA       GLU  11  -3.644  -4.751  -5.565
  123   1HB   GLU  11          2HB       GLU  11  -1.553  -6.066  -6.199
  124   2HB   GLU  11          1HB       GLU  11  -2.188  -7.368  -5.204
  125   1HG   GLU  11          2HG       GLU  11  -4.236  -7.361  -6.566
  126   2HG   GLU  11          1HG       GLU  11  -3.496  -6.166  -7.627
  127    QB   GLU  11           QB       GLU  11  -1.871  -6.717  -5.702
  128    QG   GLU  11           QG       GLU  11  -3.866  -6.764  -7.097
  129    H    ALA  12           H        ALA  12  -2.917  -6.729  -2.781
  130    HA   ALA  12           HA       ALA  12  -5.412  -8.096  -2.669
  131   1HB   ALA  12          2HB       ALA  12  -3.374  -8.972  -1.596
  132   2HB   ALA  12          3HB       ALA  12  -4.706  -8.815  -0.450
  133   3HB   ALA  12          1HB       ALA  12  -3.408  -7.624  -0.466
  134    MB   ALA  12           QB       ALA  12  -3.829  -8.470  -0.837
  135    H    LYS  13           H        LYS  13  -4.203  -5.092  -1.337
  136    HA   LYS  13           HA       LYS  13  -6.407  -4.813   0.459
  137   1HB   LYS  13          2HB       LYS  13  -4.082  -3.812   0.781
  138   2HB   LYS  13          1HB       LYS  13  -4.523  -2.610  -0.413
  139   1HG   LYS  13          2HG       LYS  13  -4.821  -1.725   1.825
  140   2HG   LYS  13          1HG       LYS  13  -6.393  -1.894   1.033
  141   1HD   LYS  13          2HD       LYS  13  -6.783  -3.996   2.196
  142   2HD   LYS  13          1HD       LYS  13  -5.189  -3.892   2.951
  143   1HE   LYS  13          2HE       LYS  13  -5.903  -1.932   4.170
  144   2HE   LYS  13          1HE       LYS  13  -7.455  -1.950   3.326
  145   1HZ   LYS  13          2HZ       LYS  13  -7.866  -4.149   4.274
  146   2HZ   LYS  13          1HZ       LYS  13  -6.441  -4.076   5.136
  147   3HZ   LYS  13          3HZ       LYS  13  -7.681  -2.987   5.499
  148    QB   LYS  13           QB       LYS  13  -4.303  -3.211   0.184
  149    QD   LYS  13           QD       LYS  13  -5.986  -3.944   2.573
  150    QG   LYS  13           QG       LYS  13  -5.607  -1.810   1.429
  151    QE   LYS  13           QE       LYS  13  -6.679  -1.941   3.748
  152    QZ   LYS  13           QZ       LYS  13  -7.330  -3.737   4.970
  153    H    LYS  14           H        LYS  14  -5.556  -3.560  -2.711
  154    HA   LYS  14           HA       LYS  14  -7.820  -1.875  -2.853
  155   1HB   LYS  14          2HB       LYS  14  -7.252  -1.524  -5.205
  156   2HB   LYS  14          1HB       LYS  14  -5.835  -1.386  -4.188
  157   1HG   LYS  14          2HG       LYS  14  -5.391  -3.833  -4.840
  158   2HG   LYS  14          1HG       LYS  14  -6.557  -3.542  -6.131
  159   1HD   LYS  14          2HD       LYS  14  -4.020  -1.962  -5.645
  160   2HD   LYS  14          1HD       LYS  14  -4.249  -3.157  -6.911
  161   1HE   LYS  14          2HE       LYS  14  -6.029  -1.727  -7.880
  162   2HE   LYS  14          1HE       LYS  14  -5.726  -0.566  -6.586
  163   1HZ   LYS  14          3HZ       LYS  14  -3.709  -1.373  -8.620
  164   2HZ   LYS  14          2HZ       LYS  14  -4.606   0.055  -8.625
  165   3HZ   LYS  14          1HZ       LYS  14  -3.506  -0.223  -7.394
  166    QB   LYS  14           QB       LYS  14  -6.544  -1.455  -4.696
  167    QD   LYS  14           QD       LYS  14  -4.135  -2.560  -6.278
  168    QG   LYS  14           QG       LYS  14  -5.974  -3.687  -5.485
  169    QE   LYS  14           QE       LYS  14  -5.877  -1.147  -7.233
  170    QZ   LYS  14           QZ       LYS  14  -3.941  -0.514  -8.213
  171    H    LYS  15           H        LYS  15  -7.351  -5.240  -3.718
  172    HA   LYS  15           HA       LYS  15  -9.853  -5.384  -5.054
  173   1HB   LYS  15          2HB       LYS  15  -9.705  -7.770  -4.943
  174   2HB   LYS  15          1HB       LYS  15  -8.176  -7.073  -5.459
  175   1HG   LYS  15          2HG       LYS  15  -7.264  -7.382  -3.303
  176   2HG   LYS  15          1HG       LYS  15  -8.803  -8.008  -2.712
  177   1HD   LYS  15          2HD       LYS  15  -7.179  -9.220  -4.927
  178   2HD   LYS  15          1HD       LYS  15  -7.226  -9.641  -3.201
  179   1HE   LYS  15          2HE       LYS  15  -9.566 -10.246  -3.353
  180   2HE   LYS  15          1HE       LYS  15  -9.627  -9.735  -5.039
  181   1HZ   LYS  15          1HZ       LYS  15  -8.007 -11.982  -3.986
  182   2HZ   LYS  15          3HZ       LYS  15  -9.484 -12.114  -4.775
  183   3HZ   LYS  15          2HZ       LYS  15  -8.144 -11.532  -5.612
  184    QB   LYS  15           QB       LYS  15  -8.940  -7.421  -5.201
  185    QD   LYS  15           QD       LYS  15  -7.202  -9.431  -4.064
  186    QG   LYS  15           QG       LYS  15  -8.033  -7.695  -3.008
  187    QE   LYS  15           QE       LYS  15  -9.596  -9.991  -4.196
  188    QZ   LYS  15           QZ       LYS  15  -8.545 -11.876  -4.791
  189    H    GLU  16           H        GLU  16  -8.855  -5.705  -1.738
  190    HA   GLU  16           HA       GLU  16 -11.298  -6.641  -0.688
  191   1HB   GLU  16          2HB       GLU  16  -9.279  -6.786   0.638
  192   2HB   GLU  16          1HB       GLU  16  -9.043  -5.048   0.555
  193   1HG   GLU  16          2HG       GLU  16 -11.005  -4.690   1.933
  194   2HG   GLU  16          1HG       GLU  16 -11.325  -6.423   1.958
  195    QB   GLU  16           QB       GLU  16  -9.161  -5.917   0.597
  196    QG   GLU  16           QG       GLU  16 -11.165  -5.557   1.945
  197    H    LEU  17           H        LEU  17  -9.966  -3.442  -1.273
  198    HA   LEU  17           HA       LEU  17 -12.019  -1.928  -0.170
  199   1HB   LEU  17          2HB       LEU  17  -9.889  -0.945  -0.870
  200   2HB   LEU  17          1HB       LEU  17 -10.285  -1.257  -2.548
  201    HG   LEU  17           HG       LEU  17 -12.214   0.297  -2.351
  202   1HD1  LEU  17          1HD1      LEU  17 -11.036   0.853   0.348
  203   2HD1  LEU  17          3HD1      LEU  17 -12.278   1.818  -0.434
  204   3HD1  LEU  17          2HD1      LEU  17 -12.626   0.148   0.022
  205   1HD2  LEU  17          3HD2      LEU  17 -10.066   1.078  -3.231
  206   2HD2  LEU  17          2HD2      LEU  17 -10.905   2.349  -2.332
  207   3HD2  LEU  17          1HD2      LEU  17  -9.562   1.477  -1.588
  208    MD1  LEU  17           QD1      LEU  17 -11.980   0.940  -0.021
  209    MD2  LEU  17           QD2      LEU  17 -10.178   1.635  -2.384
  210    QB   LEU  17           QB       LEU  17 -10.087  -1.101  -1.709
  211    QD   LEU  17           QQD      LEU  17 -11.079   1.287  -1.202
  212    H    ILE  18           H        ILE  18 -11.577  -2.984  -3.536
  213    HA   ILE  18           HA       ILE  18 -13.890  -1.901  -4.647
  214    HB   ILE  18           HB       ILE  18 -12.471  -4.481  -5.406
  215   1HG1  ILE  18          2HG1      ILE  18 -12.225  -1.703  -6.576
  216   2HG1  ILE  18          1HG1      ILE  18 -11.096  -2.390  -5.416
  217   1HG2  ILE  18          3HG2      ILE  18 -14.726  -4.428  -6.365
  218   2HG2  ILE  18          2HG2      ILE  18 -14.419  -2.823  -7.030
  219   3HG2  ILE  18          1HG2      ILE  18 -13.506  -4.210  -7.623
  220   1HD1  ILE  18          1HD1      ILE  18 -11.650  -3.445  -8.179
  221   2HD1  ILE  18          3HD1      ILE  18 -10.240  -2.506  -7.684
  222   3HD1  ILE  18          2HD1      ILE  18 -10.500  -4.122  -7.025
  223    MG   ILE  18           QG2      ILE  18 -14.217  -3.820  -7.006
  224    MD   ILE  18           QD1      ILE  18 -10.797  -3.357  -7.629
  225    QG   ILE  18           QG1      ILE  18 -11.660  -2.046  -5.996
  226    H    TYR  19           H        TYR  19 -13.421  -5.020  -3.125
  227    HA   TYR  19           HA       TYR  19 -15.922  -6.204  -3.422
  228   1HB   TYR  19          2HB       TYR  19 -13.903  -7.326  -2.607
  229   2HB   TYR  19          1HB       TYR  19 -13.917  -6.336  -1.163
  230    HD1  TYR  19          1HD       TYR  19 -15.247  -6.953   0.719
  231    HD2  TYR  19          2HD       TYR  19 -15.587  -9.088  -2.931
  232    HE1  TYR  19          1HE       TYR  19 -16.472  -8.727   1.888
  233    HE2  TYR  19          2HE       TYR  19 -16.822 -10.874  -1.775
  234    HH   TYR  19           HH       TYR  19 -17.165 -11.752   0.377
  235    QB   TYR  19           QB       TYR  19 -13.910  -6.831  -1.885
  236    QD   TYR  19           QD       TYR  19 -15.417  -8.021  -1.106
  237    QE   TYR  19           QE       TYR  19 -16.647  -9.800   0.056
  238    QR   TYR  19           QR       TYR  19 -16.032  -8.911  -0.525
  239    H    LEU  20           H        LEU  20 -14.693  -4.131  -0.826
  240    HA   LEU  20           HA       LEU  20 -17.160  -4.107   0.586
  241   1HB   LEU  20          2HB       LEU  20 -14.716  -2.372   0.897
  242   2HB   LEU  20          1HB       LEU  20 -16.068  -2.413   2.017
  243    HG   LEU  20           HG       LEU  20 -14.245  -4.747   1.406
  244   1HD1  LEU  20          1HD1      LEU  20 -14.408  -2.978   3.824
  245   2HD1  LEU  20          3HD1      LEU  20 -13.411  -4.422   3.665
  246   3HD1  LEU  20          2HD1      LEU  20 -13.100  -3.017   2.645
  247   1HD2  LEU  20          2HD2      LEU  20 -16.455  -4.451   3.437
  248   2HD2  LEU  20          1HD2      LEU  20 -16.490  -5.488   2.010
  249   3HD2  LEU  20          3HD2      LEU  20 -15.353  -5.819   3.317
  250    MD1  LEU  20           QD1      LEU  20 -13.640  -3.472   3.378
  251    MD2  LEU  20           QD2      LEU  20 -16.099  -5.253   2.922
  252    QB   LEU  20           QB       LEU  20 -15.392  -2.393   1.457
  253    QD   LEU  20           QQD      LEU  20 -14.869  -4.362   3.150
  254    H    VAL  21           H        VAL  21 -15.690  -2.028  -1.789
  255    HA   VAL  21           HA       VAL  21 -17.403   0.170  -1.602
  256    HB   VAL  21           HB       VAL  21 -15.948  -0.969  -4.020
  257   1HG1  VAL  21          2HG1      VAL  21 -17.501   1.618  -3.851
  258   2HG1  VAL  21          1HG1      VAL  21 -16.421   1.166  -5.176
  259   3HG1  VAL  21          3HG1      VAL  21 -17.888   0.236  -4.866
  260   1HG2  VAL  21          3HG2      VAL  21 -14.542  -0.017  -2.269
  261   2HG2  VAL  21          2HG2      VAL  21 -14.504   0.987  -3.720
  262   3HG2  VAL  21          1HG2      VAL  21 -15.467   1.483  -2.330
  263    MG1  VAL  21           QG1      VAL  21 -17.270   1.007  -4.631
  264    MG2  VAL  21           QG2      VAL  21 -14.838   0.818  -2.773
  265    QG   VAL  21           QQG      VAL  21 -16.054   0.912  -3.702
  266    H    GLU  22           H        GLU  22 -17.798  -2.850  -3.405
  267    HA   GLU  22           HA       GLU  22 -20.230  -2.168  -4.642
  268   1HB   GLU  22          2HB       GLU  22 -19.346  -4.919  -3.774
  269   2HB   GLU  22          1HB       GLU  22 -20.618  -4.567  -4.928
  270   1HG   GLU  22          2HG       GLU  22 -18.837  -3.481  -6.352
  271   2HG   GLU  22          1HG       GLU  22 -17.661  -4.188  -5.245
  272    QB   GLU  22           QB       GLU  22 -19.982  -4.743  -4.351
  273    QG   GLU  22           QG       GLU  22 -18.249  -3.835  -5.799
  274    H    LYS  23           H        LYS  23 -19.521  -3.642  -1.536
  275    HA   LYS  23           HA       LYS  23 -22.318  -4.079  -1.019
  276   1HB   LYS  23          2HB       LYS  23 -19.971  -4.510   0.808
  277   2HB   LYS  23          1HB       LYS  23 -21.621  -5.033   1.112
  278   1HG   LYS  23          2HG       LYS  23 -21.505  -6.429  -0.924
  279   2HG   LYS  23          1HG       LYS  23 -19.812  -5.970  -1.097
  280   1HD   LYS  23          2HD       LYS  23 -19.353  -6.931   1.123
  281   2HD   LYS  23          1HD       LYS  23 -21.036  -7.440   1.236
  282   1HE   LYS  23          2HE       LYS  23 -18.988  -8.358  -0.782
  283   2HE   LYS  23          1HE       LYS  23 -19.675  -9.303   0.531
  284   1HZ   LYS  23          2HZ       LYS  23 -21.852  -9.120  -0.569
  285   2HZ   LYS  23          1HZ       LYS  23 -21.130  -8.262  -1.828
  286   3HZ   LYS  23          3HZ       LYS  23 -20.700  -9.858  -1.556
  287    QB   LYS  23           QB       LYS  23 -20.796  -4.772   0.960
  288    QD   LYS  23           QD       LYS  23 -20.194  -7.186   1.180
  289    QG   LYS  23           QG       LYS  23 -20.658  -6.200  -1.010
  290    QE   LYS  23           QE       LYS  23 -19.332  -8.831  -0.125
  291    QZ   LYS  23           QZ       LYS  23 -21.227  -9.080  -1.318
  292    H    TYR  24           H        TYR  24 -19.863  -1.875   0.351
  293    HA   TYR  24           HA       TYR  24 -21.953  -0.842   2.103
  294   1HB   TYR  24          2HB       TYR  24 -18.964  -0.572   2.309
  295   2HB   TYR  24          1HB       TYR  24 -20.110   0.183   3.415
  296    HD1  TYR  24          1HD       TYR  24 -18.475  -2.903   2.445
  297    HD2  TYR  24          2HD       TYR  24 -21.537  -1.217   4.860
  298    HE1  TYR  24          1HE       TYR  24 -18.609  -4.993   3.727
  299    HE2  TYR  24          2HE       TYR  24 -21.673  -3.297   6.157
  300    HH   TYR  24           HH       TYR  24 -21.156  -5.687   5.821
  301    QB   TYR  24           QB       TYR  24 -19.537  -0.195   2.862
  302    QD   TYR  24           QD       TYR  24 -20.006  -2.060   3.652
  303    QE   TYR  24           QE       TYR  24 -20.141  -4.145   4.942
  304    QR   TYR  24           QR       TYR  24 -20.074  -3.102   4.297
  305    H    GLY  25           H        GLY  25 -19.959   0.235  -0.556
  306   1HA   GLY  25          1HA       GLY  25 -20.926   2.938  -0.033
  307   2HA   GLY  25          2HA       GLY  25 -21.381   2.148  -1.532
  308    QA   GLY  25           QA       GLY  25 -21.154   2.543  -0.782
  309    H    PHE  26           H        PHE  26 -20.301   4.194  -2.191
  310    HA   PHE  26           HA       PHE  26 -17.665   3.483  -3.174
  311   1HB   PHE  26          2HB       PHE  26 -19.393   5.892  -3.769
  312   2HB   PHE  26          1HB       PHE  26 -17.935   5.423  -4.629
  313    HD1  PHE  26          1HD       PHE  26 -17.949   3.562  -6.176
  314    HD2  PHE  26          2HD       PHE  26 -21.476   4.711  -4.101
  315    HE1  PHE  26          1HE       PHE  26 -19.308   2.222  -7.730
  316    HE2  PHE  26          2HE       PHE  26 -22.830   3.366  -5.651
  317    HZ   PHE  26           HZ       PHE  26 -21.746   2.123  -7.458
  318    QB   PHE  26           QB       PHE  26 -18.664   5.658  -4.199
  319    QD   PHE  26           QD       PHE  26 -19.713   4.136  -5.138
  320    QE   PHE  26           QE       PHE  26 -21.069   2.794  -6.690
  321    QR   PHE  26           QR       PHE  26 -20.662   3.197  -6.223
  322    H    THR  27           H        THR  27 -19.128   5.488  -0.808
  323    HA   THR  27           HA       THR  27 -16.598   6.284   0.121
  324    HB   THR  27           HB       THR  27 -16.923   8.140  -1.367
  325    HG1  THR  27          1HG       THR  27 -16.623   9.696  -0.004
  326   1HG2  THR  27          1HG2      THR  27 -19.323   7.973  -1.794
  327   2HG2  THR  27          3HG2      THR  27 -19.662   8.530  -0.154
  328   3HG2  THR  27          2HG2      THR  27 -18.901   9.621  -1.311
  329    MG   THR  27           QG2      THR  27 -19.296   8.708  -1.086
  330    H    HIS  28           H        HIS  28 -16.763   5.464   1.914
  331    HA   HIS  28           HA       HIS  28 -18.815   6.235   3.811
  332   1HB   HIS  28          2HB       HIS  28 -19.667   4.155   2.732
  333   2HB   HIS  28          1HB       HIS  28 -18.158   3.348   3.118
  334    HD1  HIS  28          1HD       HIS  28 -21.188   4.846   4.924
  335    HD2  HIS  28          2HD       HIS  28 -18.143   2.068   5.474
  336    HE1  HIS  28          1HE       HIS  28 -21.712   3.650   7.051
  337    QB   HIS  28           QB       HIS  28 -18.912   3.751   2.925
  338    H    HIS  29           H        HIS  29 -18.026   5.740   6.026
  339    HA   HIS  29           HA       HIS  29 -15.467   6.560   6.569
  340   1HB   HIS  29          2HB       HIS  29 -17.102   4.703   8.315
  341   2HB   HIS  29          1HB       HIS  29 -15.693   5.602   8.852
  342    HD1  HIS  29          1HD       HIS  29 -16.024   8.321   8.814
  343    HD2  HIS  29          2HD       HIS  29 -19.450   5.994   8.513
  344    HE1  HIS  29          1HE       HIS  29 -17.950   9.852   9.322
  345    QB   HIS  29           QB       HIS  29 -16.397   5.153   8.583
  346    H    LYS  30           H        LYS  30 -16.506   3.176   6.559
  347    HA   LYS  30           HA       LYS  30 -14.035   1.962   7.067
  348   1HB   LYS  30          2HB       LYS  30 -16.297   0.946   5.320
  349   2HB   LYS  30          1HB       LYS  30 -14.950  -0.024   5.874
  350   1HG   LYS  30          2HG       LYS  30 -17.003   1.270   7.662
  351   2HG   LYS  30          1HG       LYS  30 -16.992  -0.423   7.165
  352   1HD   LYS  30          2HD       LYS  30 -14.750  -0.645   8.230
  353   2HD   LYS  30          1HD       LYS  30 -14.925   1.003   8.834
  354   1HE   LYS  30          2HE       LYS  30 -16.736  -1.331   9.466
  355   2HE   LYS  30          1HE       LYS  30 -15.533  -0.626  10.538
  356   1HZ   LYS  30          3HZ       LYS  30 -16.814   1.448  10.526
  357   2HZ   LYS  30          2HZ       LYS  30 -17.961   0.758   9.511
  358   3HZ   LYS  30          1HZ       LYS  30 -17.754   0.152  11.055
  359    QB   LYS  30           QB       LYS  30 -15.624   0.461   5.597
  360    QD   LYS  30           QD       LYS  30 -14.837   0.179   8.532
  361    QG   LYS  30           QG       LYS  30 -16.998   0.424   7.413
  362    QE   LYS  30           QE       LYS  30 -16.134  -0.978  10.002
  363    QZ   LYS  30           QZ       LYS  30 -17.510   0.786  10.364
  364    H    VAL  31           H        VAL  31 -15.602   2.595   3.990
  365    HA   VAL  31           HA       VAL  31 -13.683   1.622   2.249
  366    HB   VAL  31           HB       VAL  31 -15.685   3.862   1.820
  367   1HG1  VAL  31          2HG1      VAL  31 -13.944   3.856   0.080
  368   2HG1  VAL  31          1HG1      VAL  31 -14.295   2.159  -0.241
  369   3HG1  VAL  31          3HG1      VAL  31 -15.523   3.386  -0.559
  370   1HG2  VAL  31          3HG2      VAL  31 -16.711   1.776   2.559
  371   2HG2  VAL  31          2HG2      VAL  31 -17.113   2.100   0.873
  372   3HG2  VAL  31          1HG2      VAL  31 -15.879   0.903   1.278
  373    MG1  VAL  31           QG1      VAL  31 -14.587   3.133  -0.240
  374    MG2  VAL  31           QG2      VAL  31 -16.568   1.593   1.570
  375    QG   VAL  31           QQG      VAL  31 -15.578   2.363   0.665
  376    H    ILE  32           H        ILE  32 -14.098   4.948   3.447
  377    HA   ILE  32           HA       ILE  32 -11.974   6.079   1.988
  378    HB   ILE  32           HB       ILE  32 -13.163   6.994   4.631
  379   1HG1  ILE  32          2HG1      ILE  32 -13.723   7.919   1.802
  380   2HG1  ILE  32          1HG1      ILE  32 -14.752   6.830   2.726
  381   1HG2  ILE  32          1HG2      ILE  32 -11.426   8.530   2.677
  382   2HG2  ILE  32          3HG2      ILE  32 -12.219   9.215   4.094
  383   3HG2  ILE  32          2HG2      ILE  32 -10.951   8.006   4.287
  384   1HD1  ILE  32          3HD1      ILE  32 -14.115   9.690   3.413
  385   2HD1  ILE  32          2HD1      ILE  32 -15.621   9.094   2.716
  386   3HD1  ILE  32          1HD1      ILE  32 -15.155   8.613   4.350
  387    MG   ILE  32           QG2      ILE  32 -11.532   8.584   3.686
  388    MD   ILE  32           QD1      ILE  32 -14.964   9.132   3.493
  389    QG   ILE  32           QG1      ILE  32 -14.237   7.375   2.264
  390    H    SER  33           H        SER  33 -12.060   4.592   5.179
  391    HA   SER  33           HA       SER  33  -9.433   5.236   5.954
  392   1HB   SER  33          2HB       SER  33 -11.102   2.837   6.754
  393   2HB   SER  33          1HB       SER  33  -9.674   3.430   7.610
  394    HG   SER  33           HG       SER  33 -12.137   4.817   7.228
  395    QB   SER  33           QB       SER  33 -10.388   3.134   7.182
  396    H    PHE  34           H        PHE  34 -10.708   2.525   4.064
  397    HA   PHE  34           HA       PHE  34  -8.155   1.218   3.903
  398   1HB   PHE  34          2HB       PHE  34 -10.642   0.787   2.247
  399   2HB   PHE  34          1HB       PHE  34  -9.228  -0.267   2.234
  400    HD1  PHE  34          1HD       PHE  34  -8.569  -0.891   4.857
  401    HD2  PHE  34          2HD       PHE  34 -12.419  -0.055   3.296
  402    HE1  PHE  34          1HE       PHE  34  -9.580  -2.194   6.682
  403    HE2  PHE  34          2HE       PHE  34 -13.451  -1.339   5.113
  404    HZ   PHE  34           HZ       PHE  34 -12.032  -2.417   6.818
  405    QB   PHE  34           QB       PHE  34  -9.935   0.260   2.241
  406    QD   PHE  34           QD       PHE  34 -10.494  -0.473   4.076
  407    QE   PHE  34           QE       PHE  34 -11.516  -1.766   5.897
  408    QR   PHE  34           QR       PHE  34 -11.210  -1.379   5.353
  409    H    SER  35           H        SER  35  -9.905   3.545   2.003
  410    HA   SER  35           HA       SER  35  -8.353   3.375  -0.350
  411   1HB   SER  35          2HB       SER  35  -9.913   5.698   0.764
  412   2HB   SER  35          1HB       SER  35  -9.351   5.542  -0.898
  413    HG   SER  35           HG       SER  35 -11.175   3.778   0.404
  414    QB   SER  35           QB       SER  35  -9.632   5.620  -0.067
  415    H    GLN  36           H        GLN  36  -8.161   5.413   2.551
  416    HA   GLN  36           HA       GLN  36  -5.968   6.953   1.666
  417   1HB   GLN  36          2HB       GLN  36  -6.856   6.340   4.487
  418   2HB   GLN  36          1HB       GLN  36  -5.677   7.562   4.039
  419   1HG   GLN  36          2HG       GLN  36  -8.556   7.546   3.173
  420   2HG   GLN  36          1HG       GLN  36  -7.910   8.473   4.520
  421   1HE2  GLN  36          1HE2      GLN  36  -8.499  10.404   3.639
  422   2HE2  GLN  36          2HE2      GLN  36  -7.758  11.093   2.246
  423    QB   GLN  36           QB       GLN  36  -6.266   6.951   4.263
  424    QG   GLN  36           QG       GLN  36  -8.233   8.009   3.847
  425    QE   GLN  36           QE2      GLN  36  -8.128  10.749   2.943
  426    H    GLU  37           H        GLU  37  -6.245   3.840   3.158
  427    HA   GLU  37           HA       GLU  37  -3.556   3.512   3.925
  428   1HB   GLU  37          2HB       GLU  37  -5.617   2.105   4.557
  429   2HB   GLU  37          1HB       GLU  37  -5.402   1.319   2.999
  430   1HG   GLU  37          2HG       GLU  37  -4.377  -0.004   4.691
  431   2HG   GLU  37          1HG       GLU  37  -3.115   0.715   3.675
  432    QB   GLU  37           QB       GLU  37  -5.509   1.712   3.778
  433    QG   GLU  37           QG       GLU  37  -3.746   0.355   4.183
  434    H    LEU  38           H        LEU  38  -5.419   2.735   1.006
  435    HA   LEU  38           HA       LEU  38  -3.327   1.600  -0.483
  436   1HB   LEU  38          2HB       LEU  38  -5.842   2.979  -1.312
  437   2HB   LEU  38          1HB       LEU  38  -4.705   2.331  -2.476
  438    HG   LEU  38           HG       LEU  38  -6.141   0.704  -0.379
  439   1HD1  LEU  38          2HD1      LEU  38  -7.550   1.685  -2.163
  440   2HD1  LEU  38          1HD1      LEU  38  -6.550   0.872  -3.355
  441   3HD1  LEU  38          3HD1      LEU  38  -7.491  -0.074  -2.191
  442   1HD2  LEU  38          1HD2      LEU  38  -4.332  -0.027  -2.676
  443   2HD2  LEU  38          3HD2      LEU  38  -3.980  -0.242  -0.960
  444   3HD2  LEU  38          2HD2      LEU  38  -5.272  -1.173  -1.723
  445    MD1  LEU  38           QD1      LEU  38  -7.197   0.828  -2.570
  446    MD2  LEU  38           QD2      LEU  38  -4.528  -0.480  -1.786
  447    QB   LEU  38           QB       LEU  38  -5.273   2.655  -1.894
  448    QD   LEU  38           QQD      LEU  38  -5.862   0.174  -2.178
  449    H    ASP  39           H        ASP  39  -4.477   4.892  -0.248
  450    HA   ASP  39           HA       ASP  39  -2.816   6.089  -2.162
  451   1HB   ASP  39          2HB       ASP  39  -4.674   7.237  -0.937
  452   2HB   ASP  39          1HB       ASP  39  -3.655   7.275   0.495
  453    QB   ASP  39           QB       ASP  39  -4.165   7.256  -0.221
  454    H    ARG  40           H        ARG  40  -2.296   5.387   1.210
  455    HA   ARG  40           HA       ARG  40   0.309   6.421   1.536
  456   1HB   ARG  40          2HB       ARG  40  -1.176   5.956   3.389
  457   2HB   ARG  40          1HB       ARG  40  -1.217   4.259   2.971
  458   1HG   ARG  40          2HG       ARG  40   1.190   4.112   3.522
  459   2HG   ARG  40          1HG       ARG  40   1.127   5.799   4.057
  460   1HD   ARG  40          2HD       ARG  40  -0.565   5.252   5.685
  461   2HD   ARG  40          1HD       ARG  40  -0.615   3.587   5.112
  462    HE   ARG  40           HE       ARG  40   1.832   4.720   6.222
  463   1HH1  ARG  40          1HH1      ARG  40  -0.791   2.293   6.373
  464   2HH1  ARG  40          2HH1      ARG  40  -0.089   1.409   7.623
  465   1HH2  ARG  40          1HH2      ARG  40   2.792   3.471   8.017
  466   2HH2  ARG  40          2HH2      ARG  40   1.983   2.102   8.585
  467    QB   ARG  40           QB       ARG  40  -1.196   5.108   3.180
  468    QG   ARG  40           QG       ARG  40   1.158   4.956   3.789
  469    QD   ARG  40           QD       ARG  40  -0.590   4.420   5.399
  470    QH1  ARG  40           QH1      ARG  40  -0.440   1.851   6.998
  471    QH2  ARG  40           QH2      ARG  40   2.387   2.787   8.301
  472    H    LEU  41           H        LEU  41  -0.884   3.138   0.851
  473    HA   LEU  41           HA       LEU  41   1.676   1.930   0.769
  474   1HB   LEU  41          2HB       LEU  41  -0.851   0.951  -0.572
  475   2HB   LEU  41          1HB       LEU  41   0.606   0.027  -0.241
  476    HG   LEU  41           HG       LEU  41  -1.265   1.140   1.836
  477   1HD1  LEU  41          2HD1      LEU  41  -0.808  -1.684   0.909
  478   2HD1  LEU  41          1HD1      LEU  41  -1.821  -1.198   2.267
  479   3HD1  LEU  41          3HD1      LEU  41  -2.248  -0.707   0.626
  480   1HD2  LEU  41          1HD2      LEU  41   1.190  -0.595   2.133
  481   2HD2  LEU  41          3HD2      LEU  41   1.031   1.087   2.648
  482   3HD2  LEU  41          2HD2      LEU  41   0.065  -0.164   3.422
  483    MD1  LEU  41           QD1      LEU  41  -1.626  -1.196   1.267
  484    MD2  LEU  41           QD2      LEU  41   0.762   0.109   2.735
  485    QB   LEU  41           QB       LEU  41  -0.122   0.489  -0.407
  486    QD   LEU  41           QQD      LEU  41  -0.432  -0.544   2.001
  487    H    LEU  42           H        LEU  42  -0.424   3.189  -1.766
  488    HA   LEU  42           HA       LEU  42   1.168   2.640  -4.004
  489   1HB   LEU  42          2HB       LEU  42  -1.121   3.497  -4.149
  490   2HB   LEU  42          1HB       LEU  42  -0.606   5.018  -3.447
  491    HG   LEU  42           HG       LEU  42   0.861   5.331  -5.469
  492   1HD1  LEU  42          3HD1      LEU  42  -0.738   3.020  -6.532
  493   2HD1  LEU  42          2HD1      LEU  42   0.302   4.078  -7.485
  494   3HD1  LEU  42          1HD1      LEU  42   0.999   3.054  -6.232
  495   1HD2  LEU  42          1HD2      LEU  42  -2.120   5.165  -5.881
  496   2HD2  LEU  42          3HD2      LEU  42  -1.215   6.525  -5.209
  497   3HD2  LEU  42          2HD2      LEU  42  -0.990   6.066  -6.894
  498    MD1  LEU  42           QD1      LEU  42   0.188   3.384  -6.750
  499    MD2  LEU  42           QD2      LEU  42  -1.442   5.919  -5.994
  500    QB   LEU  42           QB       LEU  42  -0.864   4.257  -3.798
  501    QD   LEU  42           QQD      LEU  42  -0.627   4.651  -6.372
  502    H    ASN  43           H        ASN  43   1.336   5.155  -1.589
  503    HA   ASN  43           HA       ASN  43   3.175   6.849  -2.930
  504   1HB   ASN  43          2HB       ASN  43   1.656   7.387  -0.908
  505   2HB   ASN  43          1HB       ASN  43   2.920   6.648   0.054
  506   1HD2  ASN  43          1HD2      ASN  43   2.064   9.319  -1.939
  507   2HD2  ASN  43          2HD2      ASN  43   3.411  10.310  -1.532
  508    QB   ASN  43           QB       ASN  43   2.288   7.017  -0.427
  509    QD   ASN  43           QD2      ASN  43   2.737   9.814  -1.735
  510    H    LEU  44           H        LEU  44   3.467   4.022  -0.974
  511    HA   LEU  44           HA       LEU  44   6.227   4.240  -0.423
  512   1HB   LEU  44          2HB       LEU  44   4.525   1.748  -0.604
  513   2HB   LEU  44          1HB       LEU  44   6.115   1.856   0.131
  514    HG   LEU  44           HG       LEU  44   3.619   3.230   1.127
  515   1HD1  LEU  44          3HD1      LEU  44   5.153   0.890   2.234
  516   2HD1  LEU  44          2HD1      LEU  44   3.806   1.707   3.026
  517   3HD1  LEU  44          1HD1      LEU  44   3.549   0.843   1.508
  518   1HD2  LEU  44          2HD2      LEU  44   6.402   3.149   2.289
  519   2HD2  LEU  44          1HD2      LEU  44   5.603   4.560   1.597
  520   3HD2  LEU  44          3HD2      LEU  44   4.978   3.830   3.075
  521    MD1  LEU  44           QD1      LEU  44   4.170   1.147   2.256
  522    MD2  LEU  44           QD2      LEU  44   5.661   3.847   2.320
  523    QB   LEU  44           QB       LEU  44   5.320   1.802  -0.236
  524    QD   LEU  44           QQD      LEU  44   4.915   2.497   2.288
  525    H    LEU  45           H        LEU  45   4.397   3.029  -3.151
  526    HA   LEU  45           HA       LEU  45   6.666   1.942  -4.523
  527   1HB   LEU  45          2HB       LEU  45   4.051   2.956  -5.655
  528   2HB   LEU  45          1HB       LEU  45   5.247   2.049  -6.553
  529    HG   LEU  45           HG       LEU  45   3.583   1.025  -4.254
  530   1HD1  LEU  45          2HD1      LEU  45   3.540   0.392  -7.200
  531   2HD1  LEU  45          1HD1      LEU  45   2.570  -0.404  -5.964
  532   3HD1  LEU  45          3HD1      LEU  45   2.324   1.307  -6.309
  533   1HD2  LEU  45          1HD2      LEU  45   5.636  -0.405  -5.953
  534   2HD2  LEU  45          3HD2      LEU  45   5.797  -0.016  -4.238
  535   3HD2  LEU  45          2HD2      LEU  45   4.572  -1.167  -4.772
  536    MD1  LEU  45           QD1      LEU  45   2.811   0.432  -6.491
  537    MD2  LEU  45           QD2      LEU  45   5.335  -0.529  -4.988
  538    QB   LEU  45           QB       LEU  45   4.649   2.503  -6.104
  539    QD   LEU  45           QQD      LEU  45   4.073  -0.049  -5.739
  540    H    ILE  46           H        ILE  46   5.145   5.060  -4.274
  541    HA   ILE  46           HA       ILE  46   6.619   6.374  -6.297
  542    HB   ILE  46           HB       ILE  46   5.235   7.485  -3.829
  543   1HG1  ILE  46          2HG1      ILE  46   4.322   7.334  -6.711
  544   2HG1  ILE  46          1HG1      ILE  46   3.761   6.298  -5.408
  545   1HG2  ILE  46          2HG2      ILE  46   6.907   9.069  -4.626
  546   2HG2  ILE  46          1HG2      ILE  46   6.241   8.980  -6.253
  547   3HG2  ILE  46          3HG2      ILE  46   5.278   9.672  -4.942
  548   1HD1  ILE  46          3HD1      ILE  46   2.817   8.268  -4.290
  549   2HD1  ILE  46          2HD1      ILE  46   3.357   9.266  -5.639
  550   3HD1  ILE  46          1HD1      ILE  46   2.147   8.010  -5.901
  551    MG   ILE  46           QG2      ILE  46   6.142   9.240  -5.273
  552    MD   ILE  46           QD1      ILE  46   2.774   8.515  -5.277
  553    QG   ILE  46           QG1      ILE  46   4.041   6.816  -6.059
  554    H    GLU  47           H        GLU  47   7.280   5.522  -3.029
  555    HA   GLU  47           HA       GLU  47   9.534   7.120  -2.562
  556   1HB   GLU  47          2HB       GLU  47   8.261   5.651  -0.912
  557   2HB   GLU  47          1HB       GLU  47   9.166   4.294  -1.568
  558   1HG   GLU  47          2HG       GLU  47  10.237   5.044   0.438
  559   2HG   GLU  47          1HG       GLU  47  11.253   5.462  -0.946
  560    QB   GLU  47           QB       GLU  47   8.714   4.972  -1.240
  561    QG   GLU  47           QG       GLU  47  10.745   5.253  -0.254
  562    H    LEU  48           H        LEU  48   9.160   3.934  -4.080
  563    HA   LEU  48           HA       LEU  48  11.902   3.558  -4.686
  564   1HB   LEU  48          2HB       LEU  48   9.407   2.390  -5.926
  565   2HB   LEU  48          1HB       LEU  48  10.988   2.039  -6.578
  566    HG   LEU  48           HG       LEU  48  10.274   0.197  -5.236
  567   1HD1  LEU  48          2HD1      LEU  48  12.618   0.682  -5.157
  568   2HD1  LEU  48          1HD1      LEU  48  12.383   1.730  -3.757
  569   3HD1  LEU  48          3HD1      LEU  48  12.065   0.001  -3.628
  570   1HD2  LEU  48          2HD2      LEU  48   9.946   2.130  -2.946
  571   2HD2  LEU  48          1HD2      LEU  48   8.648   1.295  -3.798
  572   3HD2  LEU  48          3HD2      LEU  48   9.805   0.376  -2.837
  573    MD1  LEU  48           QD1      LEU  48  12.355   0.804  -4.180
  574    MD2  LEU  48           QD2      LEU  48   9.466   1.267  -3.194
  575    QB   LEU  48           QB       LEU  48  10.197   2.215  -6.252
  576    QD   LEU  48           QQD      LEU  48  10.911   1.035  -3.687
  577    H    LYS  49           H        LYS  49   9.293   5.137  -6.383
  578    HA   LYS  49           HA       LYS  49  10.659   5.762  -8.773
  579   1HB   LYS  49          2HB       LYS  49   8.447   7.258  -7.351
  580   2HB   LYS  49          1HB       LYS  49   9.029   7.671  -8.948
  581   1HG   LYS  49          2HG       LYS  49   8.281   5.524  -9.804
  582   2HG   LYS  49          1HG       LYS  49   7.759   5.044  -8.187
  583   1HD   LYS  49          2HD       LYS  49   6.089   6.789  -8.146
  584   2HD   LYS  49          1HD       LYS  49   6.710   7.470  -9.641
  585   1HE   LYS  49          2HE       LYS  49   5.483   4.732  -9.377
  586   2HE   LYS  49          1HE       LYS  49   4.625   6.171  -9.919
  587   1HZ   LYS  49          2HZ       LYS  49   6.184   6.330 -11.788
  588   2HZ   LYS  49          1HZ       LYS  49   6.978   4.952 -11.282
  589   3HZ   LYS  49          3HZ       LYS  49   5.377   4.849 -11.786
  590    QB   LYS  49           QB       LYS  49   8.738   7.465  -8.150
  591    QD   LYS  49           QD       LYS  49   6.400   7.130  -8.893
  592    QG   LYS  49           QG       LYS  49   8.020   5.284  -8.995
  593    QE   LYS  49           QE       LYS  49   5.054   5.451  -9.648
  594    QZ   LYS  49           QZ       LYS  49   6.180   5.377 -11.619
  595    H    THR  50           H        THR  50  10.600   7.282  -5.640
  596    HA   THR  50           HA       THR  50  12.019   9.635  -6.391
  597    HB   THR  50           HB       THR  50  11.665   8.382  -3.653
  598    HG1  THR  50          1HG       THR  50   9.733   8.987  -4.957
  599   1HG2  THR  50          1HG2      THR  50  13.466  10.087  -3.751
  600   2HG2  THR  50          3HG2      THR  50  12.321  11.240  -4.441
  601   3HG2  THR  50          2HG2      THR  50  12.095  10.640  -2.797
  602    MG   THR  50           QG2      THR  50  12.627  10.655  -3.663
  603    H    LYS  51           H        LYS  51  12.921   6.541  -4.915
  604    HA   LYS  51           HA       LYS  51  15.655   7.108  -4.572
  605   1HB   LYS  51          2HB       LYS  51  14.313   4.436  -5.021
  606   2HB   LYS  51          1HB       LYS  51  15.961   4.653  -4.445
  607   1HG   LYS  51          2HG       LYS  51  15.117   5.801  -2.465
  608   2HG   LYS  51          1HG       LYS  51  13.466   5.571  -3.037
  609   1HD   LYS  51          2HD       LYS  51  13.797   3.141  -2.950
  610   2HD   LYS  51          1HD       LYS  51  15.435   3.399  -2.347
  611   1HE   LYS  51          2HE       LYS  51  14.527   4.560  -0.387
  612   2HE   LYS  51          1HE       LYS  51  12.895   4.288  -0.992
  613   1HZ   LYS  51          2HZ       LYS  51  13.290   1.887  -0.806
  614   2HZ   LYS  51          1HZ       LYS  51  14.838   2.193  -0.237
  615   3HZ   LYS  51          3HZ       LYS  51  13.508   2.659   0.673
  616    QB   LYS  51           QB       LYS  51  15.137   4.545  -4.733
  617    QD   LYS  51           QD       LYS  51  14.616   3.270  -2.648
  618    QG   LYS  51           QG       LYS  51  14.291   5.686  -2.751
  619    QE   LYS  51           QE       LYS  51  13.711   4.424  -0.689
  620    QZ   LYS  51           QZ       LYS  51  13.879   2.246  -0.123
  621    H    LYS  52           H        LYS  52  13.810   5.961  -7.251
  622    HA   LYS  52           HA       LYS  52  14.127   5.721  -9.468
  623   1HB   LYS  52          2HB       LYS  52  15.262   7.543 -10.623
  624   2HB   LYS  52          1HB       LYS  52  14.446   8.164  -9.211
  625   1HG   LYS  52          2HG       LYS  52  16.502   8.405  -8.058
  626   2HG   LYS  52          1HG       LYS  52  17.389   7.550  -9.319
  627   1HD   LYS  52          2HD       LYS  52  16.706   9.338 -10.916
  628   2HD   LYS  52          1HD       LYS  52  15.939  10.190  -9.575
  629   1HE   LYS  52          2HE       LYS  52  18.115  10.337  -8.456
  630   2HE   LYS  52          1HE       LYS  52  18.853   9.502  -9.821
  631   1HZ   LYS  52          2HZ       LYS  52  18.199  11.309 -11.249
  632   2HZ   LYS  52          1HZ       LYS  52  17.495  12.149  -9.968
  633   3HZ   LYS  52          3HZ       LYS  52  19.154  11.863 -10.005
  634    QB   LYS  52           QB       LYS  52  14.854   7.853  -9.917
  635    QD   LYS  52           QD       LYS  52  16.323   9.764 -10.245
  636    QG   LYS  52           QG       LYS  52  16.946   7.978  -8.689
  637    QE   LYS  52           QE       LYS  52  18.484   9.919  -9.139
  638    QZ   LYS  52           QZ       LYS  52  18.283  11.774 -10.407
  639    H    LYS  53           H        LYS  53  16.016   4.219  -7.712
  640    HA   LYS  53           HA       LYS  53  18.313   3.883  -9.439
  641   1HB   LYS  53          2HB       LYS  53  19.153   2.426  -7.591
  642   2HB   LYS  53          1HB       LYS  53  18.799   4.111  -7.176
  643   1HG   LYS  53          2HG       LYS  53  16.690   3.448  -6.157
  644   2HG   LYS  53          1HG       LYS  53  16.999   1.767  -6.584
  645   1HD   LYS  53          2HD       LYS  53  18.853   3.375  -4.841
  646   2HD   LYS  53          1HD       LYS  53  17.499   2.457  -4.192
  647   1HE   LYS  53          2HE       LYS  53  19.707   1.272  -5.875
  648   2HE   LYS  53          1HE       LYS  53  19.700   1.264  -4.112
  649   1HZ   LYS  53          1HZ       LYS  53  17.620  -0.003  -4.202
  650   2HZ   LYS  53          3HZ       LYS  53  17.706  -0.076  -5.885
  651   3HZ   LYS  53          2HZ       LYS  53  18.881  -0.811  -4.934
  652    QB   LYS  53           QB       LYS  53  18.976   3.269  -7.384
  653    QD   LYS  53           QD       LYS  53  18.176   2.916  -4.517
  654    QG   LYS  53           QG       LYS  53  16.844   2.607  -6.371
  655    QE   LYS  53           QE       LYS  53  19.703   1.268  -4.993
  656    QZ   LYS  53           QZ       LYS  53  18.069  -0.297  -5.007
  657    H    ARG  54           H        ARG  54  15.298   2.552  -9.331
  658    HA   ARG  54           HA       ARG  54  16.111  -0.159  -9.867
  659   1HB   ARG  54          2HB       ARG  54  13.413   1.126 -10.324
  660   2HB   ARG  54          1HB       ARG  54  13.762  -0.587 -10.454
  661   1HG   ARG  54          2HG       ARG  54  14.418  -0.536  -8.023
  662   2HG   ARG  54          1HG       ARG  54  13.766   1.106  -7.971
  663   1HD   ARG  54          2HD       ARG  54  12.273  -1.408  -8.704
  664   2HD   ARG  54          1HD       ARG  54  12.079  -0.460  -7.229
  665    HE   ARG  54           HE       ARG  54  11.495   1.380  -8.959
  666   1HH1  ARG  54          1HH1      ARG  54  10.529  -2.033  -9.137
  667   2HH1  ARG  54          2HH1      ARG  54   9.078  -1.727  -9.976
  668   1HH2  ARG  54          1HH2      ARG  54   9.463   1.783 -10.120
  669   2HH2  ARG  54          2HH2      ARG  54   8.458   0.482 -10.511
  670    QB   ARG  54           QB       ARG  54  13.587   0.270 -10.389
  671    QG   ARG  54           QG       ARG  54  14.092   0.285  -7.997
  672    QD   ARG  54           QD       ARG  54  12.176  -0.934  -7.966
  673    QH1  ARG  54           QH1      ARG  54   9.804  -1.880  -9.557
  674    QH2  ARG  54           QH2      ARG  54   8.960   1.133 -10.316
  675    H    TYR  55           H        TYR  55  15.491  -1.218 -11.939
  676    HA   TYR  55           HA       TYR  55  17.035   0.006 -13.944
  677   1HB   TYR  55          2HB       TYR  55  15.366  -2.497 -13.937
  678   2HB   TYR  55          1HB       TYR  55  16.299  -1.982 -15.337
  679    HD1  TYR  55          1HD       TYR  55  16.709  -2.775 -11.689
  680    HD2  TYR  55          2HD       TYR  55  18.501  -2.667 -15.545
  681    HE1  TYR  55          1HE       TYR  55  18.698  -3.906 -10.795
  682    HE2  TYR  55          2HE       TYR  55  20.488  -3.787 -14.657
  683    HH   TYR  55           HH       TYR  55  20.554  -5.255 -11.585
  684    QB   TYR  55           QB       TYR  55  15.833  -2.239 -14.637
  685    QD   TYR  55           QD       TYR  55  17.605  -2.721 -13.617
  686    QE   TYR  55           QE       TYR  55  19.593  -3.846 -12.726
  687    QR   TYR  55           QR       TYR  55  18.599  -3.284 -13.171
  688    H    SER  56           H        SER  56  13.825   0.558 -13.254
  689    HA   SER  56           HA       SER  56  12.742   0.933 -15.843
  690   1HB   SER  56          2HB       SER  56  12.020   2.303 -13.259
  691   2HB   SER  56          1HB       SER  56  10.986   2.075 -14.674
  692    HG   SER  56           HG       SER  56  11.385  -0.246 -14.289
  693    QB   SER  56           QB       SER  56  11.503   2.189 -13.967
  694    H    LEU  57           H        LEU  57  15.002   2.760 -13.983
  695    HA   LEU  57           HA       LEU  57  14.338   5.160 -15.452
  696   1HB   LEU  57          2HB       LEU  57  16.127   4.713 -13.097
  697   2HB   LEU  57          1HB       LEU  57  16.174   6.203 -14.012
  698    HG   LEU  57           HG       LEU  57  14.859   6.543 -12.083
  699   1HD1  LEU  57          3HD1      LEU  57  14.097   7.698 -14.045
  700   2HD1  LEU  57          2HD1      LEU  57  13.027   6.351 -14.449
  701   3HD1  LEU  57          1HD1      LEU  57  12.743   7.292 -12.992
  702   1HD2  LEU  57          1HD2      LEU  57  14.223   4.262 -11.539
  703   2HD2  LEU  57          3HD2      LEU  57  12.803   5.307 -11.577
  704   3HD2  LEU  57          2HD2      LEU  57  13.135   4.220 -12.928
  705    MD1  LEU  57           QD1      LEU  57  13.289   7.114 -13.829
  706    MD2  LEU  57           QD2      LEU  57  13.387   4.596 -12.015
  707    QB   LEU  57           QB       LEU  57  16.151   5.458 -13.555
  708    QD   LEU  57           QQD      LEU  57  13.338   5.855 -12.922
  709    H    LEU  58           H        LEU  58  16.005   2.614 -16.267
  710    HA   LEU  58           HA       LEU  58  18.357   3.734 -17.431
  711   1HB   LEU  58          2HB       LEU  58  16.642   1.447 -18.411
  712   2HB   LEU  58          1HB       LEU  58  18.260   1.806 -18.971
  713    HG   LEU  58           HG       LEU  58  17.517   0.909 -16.194
  714   1HD1  LEU  58          3HD1      LEU  58  18.848  -0.513 -18.476
  715   2HD1  LEU  58          2HD1      LEU  58  18.660  -1.149 -16.840
  716   3HD1  LEU  58          1HD1      LEU  58  17.234  -0.818 -17.837
  717   1HD2  LEU  58          2HD2      LEU  58  20.214   1.395 -17.458
  718   2HD2  LEU  58          1HD2      LEU  58  19.480   2.364 -16.182
  719   3HD2  LEU  58          3HD2      LEU  58  19.938   0.690 -15.864
  720    MD1  LEU  58           QD1      LEU  58  18.247  -0.827 -17.718
  721    MD2  LEU  58           QD2      LEU  58  19.877   1.483 -16.501
  722    QB   LEU  58           QB       LEU  58  17.451   1.627 -18.691
  723    QD   LEU  58           QQD      LEU  58  19.062   0.328 -17.110
  724    H    GLU  59           H        GLU  59  15.042   3.694 -18.139
  725    HA   GLU  59           HA       GLU  59  15.492   5.392 -20.444
  726   1HB   GLU  59          2HB       GLU  59  13.161   4.672 -21.125
  727   2HB   GLU  59          1HB       GLU  59  14.396   3.425 -21.214
  728   1HG   GLU  59          2HG       GLU  59  13.623   2.548 -19.057
  729   2HG   GLU  59          1HG       GLU  59  12.311   3.732 -19.066
  730    QB   GLU  59           QB       GLU  59  13.779   4.049 -21.170
  731    QG   GLU  59           QG       GLU  59  12.967   3.140 -19.062
  732    H    HIS  60           H        HIS  60  15.357   7.349 -19.737
  733    HA   HIS  60           HA       HIS  60  14.035   7.985 -17.294
  734   1HB   HIS  60          2HB       HIS  60  15.434   9.763 -19.297
  735   2HB   HIS  60          1HB       HIS  60  14.774  10.328 -17.768
  736    HD1  HIS  60          1HD       HIS  60  16.256  10.043 -15.706
  737    HD2  HIS  60          2HD       HIS  60  17.645   7.960 -19.020
  738    HE1  HIS  60          1HE       HIS  60  18.526   9.162 -15.078
  739    QB   HIS  60           QB       HIS  60  15.104  10.046 -18.532
  740    H    HIS  61           H        HIS  61  12.662   9.950 -17.164
  741    HA   HIS  61           HA       HIS  61  10.338   9.531 -18.792
  742   1HB   HIS  61          2HB       HIS  61  10.954  11.504 -16.576
  743   2HB   HIS  61          1HB       HIS  61   9.406  11.439 -17.401
  744    HD1  HIS  61          1HD       HIS  61   7.831   9.416 -16.801
  745    HD2  HIS  61          2HD       HIS  61  11.434   9.490 -14.718
  746    HE1  HIS  61          1HE       HIS  61   7.569   7.802 -14.906
  747    QB   HIS  61           QB       HIS  61  10.180  11.471 -16.988
  748    H    HIS  62           H        HIS  62   9.238  11.549 -19.736
  749    HA   HIS  62           HA       HIS  62  11.038  12.687 -21.633
  750   1HB   HIS  62          2HB       HIS  62   8.546  12.131 -21.984
  751   2HB   HIS  62          1HB       HIS  62   8.208  13.616 -21.106
  752    HD1  HIS  62          1HD       HIS  62   8.348  15.790 -22.458
  753    HD2  HIS  62          2HD       HIS  62   9.840  12.480 -24.458
  754    HE1  HIS  62          1HE       HIS  62   8.764  16.541 -24.825
  755    QB   HIS  62           QB       HIS  62   8.377  12.874 -21.545
  756    H    HIS  63           H        HIS  63   9.624  13.649 -18.635
  757    HA   HIS  63           HA       HIS  63  10.649  16.337 -18.741
  758   1HB   HIS  63          2HB       HIS  63   9.557  14.729 -16.415
  759   2HB   HIS  63          1HB       HIS  63  10.101  16.393 -16.275
  760    HD1  HIS  63          1HD       HIS  63   7.066  14.491 -16.725
  761    HD2  HIS  63          2HD       HIS  63   8.532  18.129 -18.123
  762    HE1  HIS  63          1HE       HIS  63   5.064  15.823 -17.438
  763    QB   HIS  63           QB       HIS  63   9.829  15.561 -16.345
  764    H    HIS  64           H        HIS  64  12.779  15.854 -19.306
  765    HA   HIS  64           HA       HIS  64  14.440  14.771 -17.141
  766   1HB   HIS  64          2HB       HIS  64  14.491  13.483 -19.312
  767   2HB   HIS  64          1HB       HIS  64  15.122  14.924 -20.097
  768    HD1  HIS  64          1HD       HIS  64  17.668  15.498 -19.661
  769    HD2  HIS  64          2HD       HIS  64  16.270  12.120 -17.666
  770    HE1  HIS  64          1HE       HIS  64  19.698  14.314 -18.780
  771    QB   HIS  64           QB       HIS  64  14.806  14.204 -19.705

  No H/Q in entry =         771