*HEADER    TRANSLATION FACTOR                      23-FEB-01   1H95
*TITLE     SOLUTION STRUCTURE OF THE SINGLE-STRANDED DNA-BINDING COLD
*TITLE    2 SHOCK DOMAIN (CSD) OF HUMAN Y-BOX PROTEIN 1 (YB1)
*TITLE    3 DETERMINED BY NMR (10 LOWEST ENERGY STRUCTURES)
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: Y-BOX BINDING PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: COLD SHOCK DOMAIN;
*COMPND   5 SYNONYM: CSD;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 OTHER DETAILS: SINGLE STRANDED DNA BINDING COLD SHOCK
*COMPND   8  DOMAIN(CSD) OF HUMAN Y-BOX PROTEIN 1 (YB-1)
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET11A
*KEYWDS    TRANSLATION FACTOR, TRANSCRIPTION FACTOR, OB-FOLD,
*KEYWDS   2 5-STRANDED ANTI-PARALLEL BETA-BARREL, SINGLE STRANDED DNA
*KEYWDS   3 BINDING, COLD SHOCK, Y-BOX
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    C.P.A.M.KLOKS,C.A.E.M.SPRONK,A.HOFFMANN,G.W.VUISTER,
*AUTHOR   2 S.GRZESIEK,C.W.HILBERS
*REVDAT   1   21-FEB-02 1H95    0




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assign (resid    6 and name HB# ) (resid   63 and name HB ) 0.000  0.000 5.000
assign (resid    6 and name HB# ) (resid   63 and name HG## ) 0.000  0.000 7.300
assign (resid    7 and name HA ) (resid   62 and name HA ) 0.000  0.000 5.000
assign (resid    8 and name HA ) (resid   60 and name HG# ) 0.000  0.000 5.500
assign (resid    8 and name HA ) (resid   61 and name HN ) 0.000  0.000 4.000
assign (resid    8 and name HN ) (resid   62 and name HA ) 0.000  0.000 3.300
assign (resid    9 and name HN ) (resid   62 and name HA ) 0.000  0.000 4.000
assign (resid    9 and name HG## ) (resid   61 and name HZ ) 0.000  0.000 7.300
assign (resid    9 and name HG## ) (resid   61 and name HE# ) 0.000  0.000 7.300
assign (resid    9 and name HG## ) (resid   62 and name HB# ) 0.000  0.000 7.300
assign (resid    9 and name HG## ) (resid   63 and name HG## ) 0.000  0.000 7.300
assign (resid   10 and name HA ) (resid   60 and name HA ) 0.000  0.000 5.000
assign (resid   10 and name HD## ) (resid   28 and name HD2# ) 0.000  0.000 7.300
assign (resid   10 and name HD## ) (resid   60 and name HA ) 0.000  0.000 7.300
assign (resid   11 and name HA# ) (resid   27 and name HA ) 0.000  0.000 5.000
assign (resid   11 and name HA# ) (resid   28 and name HN ) 0.000  0.000 7.300
assign (resid   11 and name HA# ) (resid   61 and name HE# ) 0.000  0.000 5.000
assign (resid   11 and name HN ) (resid   59 and name HN ) 0.000  0.000 5.000
assign (resid   11 and name HN ) (resid   59 and name HG## ) 0.000  0.000 7.300
assign (resid   12 and name HN ) (resid   25 and name HG2# ) 0.000  0.000 4.000
assign (resid   12 and name HN ) (resid   26 and name HN ) 0.000  0.000 3.300
assign (resid   12 and name HG2# ) (resid   56 and name HA# ) 0.000  0.000 7.300
assign (resid   13 and name HA ) (resid   25 and name HA ) 0.000  0.000 4.000
assign (resid   13 and name HN ) (resid   57 and name HN ) 0.000  0.000 4.000
assign (resid   13 and name HG## ) (resid   25 and name HA ) 0.000  0.000 7.300
assign (resid   13 and name HG## ) (resid   25 and name HG1# ) 0.000  0.000 7.300
assign (resid   16 and name HA ) (resid   23 and name HA# ) 0.000  0.000 4.000
assign (resid   22 and name HA ) (resid   37 and name HA ) 0.000  0.000 4.000
assign (resid   23 and name HN ) (resid   36 and name HN ) 0.000  0.000 4.000
assign (resid   24 and name HA ) (resid   35 and name HA ) 0.000  0.000 5.000
assign (resid   24 and name HA ) (resid   36 and name HN ) 0.000  0.000 4.000
assign (resid   24 and name HA ) (resid   36 and name HG## ) 0.000  0.000 7.300
assign (resid   25 and name HG1# ) (resid   36 and name HG## ) 0.000  0.000 7.300
assign (resid   25 and name HN ) (resid   34 and name HN ) 0.000  0.000 4.000
assign (resid   25 and name HD1# ) (resid   36 and name HB ) 0.000  0.000 5.000
assign (resid   25 and name HD1# ) (resid   36 and name HG## ) 0.000  0.000 7.300
assign (resid   25 and name HD1# ) (resid   59 and name HG## ) 0.000  0.000 7.300
assign (resid   25 and name HD1# ) (resid   61 and name HD# ) 0.000  0.000 7.300
assign (resid   25 and name HG2# ) (resid   59 and name HG## ) 0.000  0.000 7.300
assign (resid   25 and name HG2# ) (resid   61 and name HZ ) 0.000  0.000 5.000
assign (resid   25 and name HG2# ) (resid   61 and name HE# ) 0.000  0.000 5.500
assign (resid   26 and name HA ) (resid   33 and name HA ) 0.000  0.000 4.000
assign (resid   27 and name HA ) (resid   61 and name HZ ) 0.000  0.000 5.000
assign (resid   27 and name HD# ) (resid   63 and name HG## ) 0.000  0.000 7.300
assign (resid   27 and name HG# ) (resid   63 and name HG## ) 0.000  0.000 7.300
assign (resid   27 and name HN ) (resid   32 and name HN ) 0.000  0.000 4.000
assign (resid   35 and name HB# ) (resid   71 and name HA ) 0.000  0.000 5.000
assign (resid   35 and name HN ) (resid   71 and name HA ) 0.000  0.000 3.300
assign (resid   40 and name HB# ) (resid   73 and name HA ) 0.000  0.000 5.000
assign (resid   40 and name HB# ) (resid   74 and name HN ) 0.000  0.000 5.000
assign (resid   41 and name HA ) (resid   75 and name HB ) 0.000  0.000 4.000
assign (resid   41 and name HA ) (resid   75 and name HN ) 0.000  0.000 4.000
assign (resid   42 and name HB# ) (resid   76 and name HG2# ) 0.000  0.000 7.300
assign (resid   42 and name HN ) (resid   75 and name HN ) 0.000  0.000 4.000
assign (resid   42 and name HN ) (resid   75 and name HG## ) 0.000  0.000 5.500
assign (resid   59 and name HA ) (resid   77 and name HA# ) 0.000  0.000 5.500
assign (resid   59 and name HA ) (resid   78 and name HD# ) 0.000  0.000 5.500
assign (resid   60 and name HN ) (resid   76 and name HN ) 0.000  0.000 7.300
assign (resid   61 and name HA ) (resid   75 and name HA ) 0.000  0.000 5.000
assign (resid   61 and name HA ) (resid   75 and name HG## ) 0.000  0.000 7.300
assign (resid   61 and name HB# ) (resid   75 and name HA ) 0.000  0.000 4.000
assign (resid   61 and name HB# ) (resid   75 and name HG## ) 0.000  0.000 7.300
assign (resid   61 and name HD# ) (resid   72 and name HA ) 0.000  0.000 5.000
assign (resid   61 and name HD# ) (resid   72 and name HB# ) 0.000  0.000 7.300
assign (resid   61 and name HD# ) (resid   75 and name HG## ) 0.000  0.000 7.300
assign (resid   62 and name HB# ) (resid   73 and name HB# ) 0.000  0.000 5.000
assign (resid   62 and name HN ) (resid   73 and name HN ) 0.000  0.000 5.000
assign (resid   63 and name HA ) (resid   72 and name HA ) 0.000  0.000 5.000
assign (resid   63 and name HA ) (resid   72 and name HB# ) 0.000  0.000 5.000
assign (resid   63 and name HG## ) (resid   70 and name HB# ) 0.000  0.000 7.300
assign (resid   64 and name HG## ) (resid   73 and name HB# ) 0.000  0.000 7.300
assign (resid   65 and name HA ) (resid   70 and name HA ) 0.000  0.000 5.000
assign (resid   65 and name HA ) (resid   70 and name HB# ) 0.000  0.000 7.300
assign (resid   47 and name HB# ) (resid   47 and name HD# ) 0.000  0.000 6.800
OR (resid  51 and name HB# ) (resid  51 and name HD# )  
assign (resid   47 and name HB# ) (resid   47 and name HG# ) 0.000  0.000 6.800
OR (resid  51 and name HB# ) (resid  51 and name HG# )  
assign (resid   76 and name HN ) (resid   61 and name HB# ) 0.000  0.000 6.800
assign (resid   75 and name HN ) (resid   40 and name HB# ) 0.000  0.000 4.500
assign (resid   72 and name HN ) (resid   71 and name HB# ) 0.000  0.000 4.500
assign (resid   70 and name HN ) (resid   69 and name HA# ) 0.000  0.000 5.000
assign (resid   69 and name HN ) (resid   68 and name HB# ) 0.000  0.000 4.500
assign (resid   68 and name HN ) (resid   67 and name HB# ) 0.000  0.000 4.500
assign (resid   66 and name HN ) (resid   70 and name HA ) 0.000  0.000 3.500
assign (resid   66 and name HN ) (resid    4 and name HG## ) 0.000  0.000 6.800
assign (resid   66 and name HN ) (resid   65 and name HG# ) 0.000  0.000 4.500
assign (resid   66 and name HN ) (resid   65 and name HB# ) 0.000  0.000 6.800
assign (resid    6 and name HN ) (resid    5 and name HA ) 0.000  0.000 3.500
assign (resid    6 and name HN ) (resid    5 and name HD# ) 0.000  0.000 4.500
assign (resid    7 and name HN ) (resid   64 and name HG## ) 0.000  0.000 6.800
! put to 6.8 consistent
assign (resid    5 and name HN ) (resid    5 and name HD# ) 0.000  0.000 6.800
OR (resid   5 and name HN ) (resid   4 and name HG## )  
assign (resid    5 and name HN ) (resid   63 and name HG## ) 0.000  0.000 4.500
assign (resid    5 and name HN ) (resid   63 and name HB ) 0.000  0.000 3.500
assign (resid    4 and name HN ) (resid    3 and name HA ) 0.000  0.000 6.800
assign (resid    8 and name HN ) (resid    8 and name HB# ) 0.000  0.000 4.500
assign (resid   11 and name HN ) (resid   58 and name HG# ) 0.000  0.000 5.000
assign (resid   11 and name HN ) (resid   10 and name HB# ) 0.000  0.000 4.500
assign (resid   12 and name HN ) (resid   26 and name HB# ) 0.000  0.000 5.000
assign (resid   13 and name HN ) (resid   12 and name HG2# ) 0.000  0.000 4.500
assign (resid   42 and name HN ) (resid   42 and name HB# ) 0.000  0.000 4.500
assign (resid   50 and name HN ) (resid   49 and name HA ) 0.000  0.000 2.800
assign (resid   54 and name HN ) (resid   53 and name HB ) 0.000  0.000 3.500
assign (resid   54 and name HN ) (resid   57 and name HB# ) 0.000  0.000 4.500
assign (resid   55 and name HN ) (resid   54 and name HA# ) 0.000  0.000 5.000
assign (resid   56 and name HN ) (resid   12 and name HG2# ) 0.000  0.000 4.500
assign (resid   61 and name HN ) (resid   10 and name HD## ) 0.000  0.000 5.000
! restraint below not corrected for methyls 
assign (resid   61 and name HN ) (resid   63 and name HG## ) 0.000  0.000 3.500
OR (resid  61 and name HN ) (resid   7 and name HG2# )  
OR (resid  61 and name HN ) (resid   9 and name HB )  
assign (resid   63 and name HN ) (resid    6 and name HB# ) 0.000  0.000 4.500
assign (resid   63 and name HN ) (resid   64 and name HG## ) 0.000  0.000 5.000
assign (resid   64 and name HN ) (resid   71 and name HG# ) 0.000  0.000 4.500
assign (resid   64 and name HN ) (resid   71 and name HB# ) 0.000  0.000 5.000
assign (resid   64 and name HN ) (resid   64 and name HB ) 0.000  0.000 3.500
assign (resid   64 and name HN ) (resid   64 and name HG## ) 0.000  0.000 3.500
assign (resid   34 and name HN ) (resid   34 and name HG## ) 0.000  0.000 4.500
assign (resid   35 and name HN ) (resid   34 and name HG## ) 0.000  0.000 5.000
assign (resid   35 and name HN ) (resid   24 and name HB# ) 0.000  0.000 5.000
assign (resid   37 and name HN ) (resid   36 and name HG## ) 0.000  0.000 4.500
OR (resid  37 and name HN ) (resid  41 and name HG1# )  
assign (resid    3 and name HN ) (resid    2 and name HA ) 0.000  0.000 6.800
assign (resid   19 and name HN ) (resid   18 and name HB ) 0.000  0.000 3.500
assign (resid   21 and name HN ) (resid   17 and name HB# ) 0.000  0.000 4.500
assign (resid   21 and name HN ) (resid   20 and name HB# ) 0.000  0.000 4.500
assign (resid   25 and name HN ) (resid   34 and name HB ) 0.000  0.000 3.500
assign (resid   25 and name HN ) (resid   25 and name HG1# ) 0.000  0.000 3.500
assign (resid   26 and name HD2# ) (resid   31 and name HB# ) 0.000  0.000 5.000
assign (resid   26 and name HD2# ) (resid   31 and name HA ) 0.000  0.000 4.500
assign (resid   27 and name HN ) (resid   25 and name HB ) 0.000  0.000 3.500
assign (resid   26 and name HN ) (resid   25 and name HB ) 0.000  0.000 3.500
assign (resid   28 and name HD2# ) (resid   10 and name HB# ) 0.000  0.000 6.800
assign (resid   30 and name HN ) (resid   31 and name HD# ) 0.000  0.000 5.000
assign (resid   30 and name HN ) (resid   31 and name HB# ) 0.000  0.000 5.000
assign (resid   31 and name HN ) (resid   30 and name HG2# ) 0.000  0.000 5.000
assign (resid   31 and name HN ) (resid   31 and name HD# ) 0.000  0.000 4.500
assign (resid   32 and name HN ) (resid   63 and name HG## ) 0.000  0.000 6.800
assign (resid   32 and name HN ) (resid   27 and name HB# ) 0.000  0.000 4.500
assign (resid   32 and name HN ) (resid   27 and name HD# ) 0.000  0.000 5.000
assign (resid   38 and name HN ) (resid   37 and name HB# ) 0.000  0.000 4.500
assign (resid   40 and name HN ) (resid   37 and name HN ) 0.000  0.000 4.500
assign (resid   40 and name HN ) (resid   37 and name HB# ) 0.000  0.000 4.500
assign (resid   40 and name HN ) (resid   38 and name HA ) 0.000  0.000 4.500
assign (resid   40 and name HN ) (resid   41 and name HB ) 0.000  0.000 4.500
assign (resid   41 and name HN ) (resid   40 and name HA ) 0.000  0.000 3.500
assign (resid   41 and name HN ) (resid   40 and name HB# ) 0.000  0.000 4.500
assign (resid   28 and name HN ) (resid   10 and name HB# ) 0.000  0.000 6.800
assign (resid   29 and name HN ) (resid   29 and name HA ) 0.000  0.000 6.800
OR (resid  62 and name HN ) (resid  75 and name HA )  
! restraint below not corrected for methyls--> added 0.9  
assign (resid   65 and name HN ) (resid   70 and name HB# ) 0.000  0.000 6.800
assign (resid   65 and name HN ) (resid   64 and name HG## ) 0.000  0.000 6.800
OR (resid  65 and name HN ) (resid   4 and name HG## )  
OR (resid  65 and name HN ) (resid   5 and name HD# ) 
assign (resid   65 and name HN ) (resid   63 and name HG## ) 0.000  0.000 6.800
OR (resid  65 and name HN ) (resid   5 and name HG2# )  
assign (resid   10 and name HN ) (resid    9 and name HN ) 0.000  0.000 4.500
assign (resid    6 and name HN ) (resid    5 and name HG2# ) 0.000  0.000 6.800
OR (resid   6 and name HN ) (resid  63 and name HG## ) 
! restraint below not corrected for methyls  
assign (resid   60 and name HN ) (resid   59 and name HB ) 0.000  0.000 6.800
OR (resid  65 and name HN ) (resid  65 and name HB# )  
assign (resid   71 and name HN ) (resid   70 and name HA ) 0.000  0.000 2.800
assign (resid   62 and name HN ) (resid   74 and name HA ) 0.000  0.000 6.800
assign (resid   62 and name HN ) (resid    9 and name HG## ) 0.000  0.000 6.800
assign (resid   29 and name HN ) (resid   31 and name HD# ) 0.000  0.000 6.800
assign (resid   12 and name HN ) (resid   28 and name HN ) 0.000  0.000 4.500
assign (resid   79 and name HN ) (resid   78 and name HB# ) 0.000  0.000 6.800
assign (resid   76 and name HN ) (resid   75 and name HA ) 0.000  0.000 6.800
assign (resid   28 and name HN ) (resid    9 and name HG## ) 0.000  0.000 6.800
assign (resid   76 and name HN ) (resid   60 and name HB# ) 0.000  0.000 6.800
OR (resid  76 and name HN ) (resid  60 and name HG# )  
assign (resid   75 and name HN ) (resid   74 and name HA ) 0.000  0.000 2.800
assign (resid   74 and name HN ) (resid   73 and name HB# ) 0.000  0.000 4.500
assign (resid   74 and name HD2# ) (resid   73 and name HB# ) 0.000  0.000 6.800
assign (resid   73 and name HN ) (resid   72 and name HA ) 0.000  0.000 2.800
assign (resid   73 and name HN ) (resid   75 and name HG## ) 0.000  0.000 5.000
OR (resid  73 and name HN ) (resid  36 and name HG## )  
assign (resid   72 and name HN ) (resid   36 and name HG## ) 0.000  0.000 6.800
assign (resid   74 and name HN ) (resid   75 and name HG## ) 0.000  0.000 6.800
OR (resid  74 and name HN ) (resid  36 and name HG## )  
assign (resid   73 and name HN ) (resid   64 and name HG## ) 0.000  0.000 5.000
assign (resid   72 and name HN ) (resid   36 and name HA ) 0.000  0.000 3.500
assign (resid   71 and name HN ) (resid   64 and name HG## ) 0.000  0.000 6.800
assign (resid   69 and name HN ) (resid   69 and name HA# ) 0.000  0.000 4.500
assign (resid   60 and name HN ) (resid   76 and name HN ) 0.000  0.000 6.800
assign (resid   64 and name HN ) (resid   63 and name HA ) 0.000  0.000 2.800
! restraint below not corrected for methyls 
assign (resid   10 and name HN ) (resid   10 and name HB# ) 0.000  0.000 4.500
assign (resid   56 and name HN ) (resid   55 and name HA ) 0.000  0.000 2.800
assign (resid    7 and name HN ) (resid    9 and name HG## ) 0.000  0.000 6.800
assign (resid   30 and name HN ) (resid   32 and name HB# ) 0.000  0.000 4.500
assign (resid   75 and name HN ) (resid   40 and name HB# ) 0.000  0.000 4.500
assign (resid   69 and name HN ) (resid   65 and name HG# ) 0.000  0.000 5.000
! restraint probably has 0.9A added 
assign (resid   71 and name HN ) (resid   70 and name HB# ) 0.000  0.000 4.500
OR (resid  71 and name HN ) (resid  5 and name HG1# ) 
assign (resid    9 and name HN ) (resid   60 and name HB# ) 0.000  0.000 4.500
OR (resid   9 and name HN ) (resid  63 and name HG## ) 
assign (resid   73 and name HN ) (resid   61 and name HB# ) 0.000  0.000 4.500
assign (resid   26 and name HN ) (resid   12 and name HN ) 0.000  0.000 4.000
assign (resid   27 and name HN ) (resid   27 and name HB# ) 0.000  0.000 5.000
assign (resid    8 and name HN ) (resid    8 and name HB# ) 0.000  0.000 5.000
assign (resid   33 and name HN ) (resid   32 and name HB# ) 0.000  0.000 5.000
assign (resid   10 and name HN ) (resid   10 and name HB# ) 0.000  0.000 5.000
assign (resid   10 and name HN ) (resid   10 and name HD## ) 0.000  0.000 7.300
assign (resid   57 and name HN ) (resid   13 and name HG## ) 0.000  0.000 7.300
assign (resid   63 and name HN ) (resid   62 and name HB# ) 0.000  0.000 5.000
assign (resid   63 and name HN ) (resid   63 and name HG## ) 0.000  0.000 7.300
assign (resid   61 and name HN ) (resid   60 and name HB# ) 0.000  0.000 5.000
assign (resid   75 and name HN ) (resid   41 and name HA ) 0.000  0.000 4.000
assign (resid   17 and name HD2# ) (resid   21 and name HN ) 0.000  0.000 5.000
assign (resid    7 and name HN ) (resid    6 and name HB# ) 0.000  0.000 5.000
assign (resid   56 and name HN ) (resid   55 and name HB# ) 0.000  0.000 5.000
assign (resid   56 and name HN ) (resid   13 and name HG## ) 0.000  0.000 7.300
assign (resid   11 and name HN ) (resid   10 and name HD## ) 0.000  0.000 7.300
assign (resid   65 and name HN ) (resid    4 and name HA ) 0.000  0.000 7.300
assign (resid   62 and name HN ) (resid   73 and name HB# ) 0.000  0.000 7.300
assign (resid    6 and name HN ) (resid    5 and name HG1# ) 0.000  0.000 5.000
 OR (resid   6 and name HN ) (resid  63 and name HG## ) 
assign (resid   26 and name HD2# ) (resid   31 and name HA ) 0.000  0.000 5.000
assign (resid   11 and name HN ) (resid   10 and name HB# ) 0.000  0.000 5.000
assign (resid   60 and name HN ) (resid   59 and name HG## ) 0.000  0.000 7.300
assign (resid   28 and name HN ) (resid   12 and name HN ) 0.000  0.000 7.300
ASSI (resid   78 and name HB# ) (resid   78 and name HG# ) 0.000  0.000 7.300
ASSI (resid   78 and name HG# ) (resid   78 and name HD# ) 0.000  0.000 7.300
ASSI (resid    6 and name HB# ) (resid   63 and name HG## ) 0.000  0.000 7.300
ASSI (resid   64 and name HA ) (resid   64 and name HG## ) 0.000  0.000 7.300
ASSI (resid   30 and name HB ) (resid   30 and name HA ) 0.000  0.000 7.300
ASSI (resid    5 and name HB ) (resid   63 and name HG## ) 0.000  0.000 7.300
ASSI (resid   25 and name HD# ) (resid   25 and name HG1# ) 0.000  0.000 7.300
ASSI (resid    6 and name HB# ) (resid    5 and name HG2# ) 0.000  0.000 7.300
ASSI (resid   20 and name HB# ) (resid   20 and name HA ) 0.000  0.000 7.300
ASSI (resid    5 and name HB ) (resid    5 and name HG1# ) 0.000  0.000 7.300
ASSI (resid   41 and name HD# ) (resid   41 and name HA ) 0.000  0.000 7.300
ASSI (resid   63 and name HB ) (resid   63 and name HG## ) 0.000  0.000 7.300
ASSI (resid   28 and name HN ) (resid   27 and name HA ) 0.000  0.000 7.300
ASSI (resid   75 and name HN ) (resid   60 and name HB2 ) 0.000  0.000 7.300
ASSI (resid   72 and name HN ) (resid   72 and name HA ) 0.000  0.000 7.300
ASSI (resid   72 and name HN ) (resid   71 and name HA ) 0.000  0.000 7.300
ASSI (resid    5 and name HN ) (resid    5 and name HA ) 0.000  0.000 7.300
ASSI (resid    5 and name HN ) (resid    4 and name HA ) 0.000  0.000 7.300
ASSI (resid   10 and name HN ) (resid   10 and name HB# ) 0.000  0.000 7.300
ASSI (resid   13 and name HN ) (resid   12 and name HA ) 0.000  0.000 7.300
ASSI (resid   13 and name HN ) (resid   58 and name HA ) 0.000  0.000 7.300
ASSI (resid   57 and name HN ) (resid   57 and name HA ) 0.000  0.000 7.300
ASSI (resid   57 and name HN ) (resid   56 and name HA# ) 0.000  0.000 7.300
ASSI (resid   61 and name HN ) (resid   60 and name HB# ) 0.000  0.000 7.300
ASSI (resid   29 and name HN ) (resid   29 and name HB# ) 0.000  0.000 7.300
ASSI (resid   29 and name HN ) (resid   29 and name HB# ) 0.000  0.000 7.300
ASSI (resid   62 and name HN ) (resid   62 and name HB# ) 0.000  0.000 7.300
ASSI (resid   33 and name HN ) (resid   32 and name HA ) 0.000  0.000 7.300
ASSI (resid   30 and name HN ) (resid   30 and name HA ) 0.000  0.000 7.300
ASSI (resid   31 and name HN ) (resid   31 and name HB# ) 0.000  0.000 7.300
ASSI (resid   31 and name HN ) (resid   30 and name HA ) 0.000  0.000 7.300
ASSI (resid   31 and name HN ) (resid   30 and name HB ) 0.000  0.000 7.300
ASSI (resid   28 and name HN ) (resid   28 and name HA ) 0.000  0.000 7.300
ASSI (resid   41 and name HN ) (resid   41 and name HG1# ) 0.000  0.000 7.300
ASSI (resid   28 and name HN ) (resid   28 and name HA ) 0.000  0.000 7.300
ASSI (resid   76 and name HN ) (resid   75 and name HA ) 0.000  0.000 7.300
ASSI (resid   62 and name HN ) (resid   61 and name HA ) 0.000  0.000 7.300
ASSI (resid   60 and name HN ) (resid   60 and name HB# ) 0.000  0.000 7.300
ASSI (resid   60 and name HN ) (resid   60 and name HG# ) 0.000  0.000 7.300
ASSI (resid   65 and name HN ) (resid   65 and name HB# ) 0.000  0.000 7.300
ASSI (resid   76 and name HN ) (resid   75 and name HA ) 0.000  0.000 7.300
ASSI (resid   65 and name HN ) (resid   64 and name HB ) 0.000  0.000 7.300
ASSI (resid   65 and name HN ) (resid   65 and name HB# ) 0.000  0.000 7.300
ASSI (resid   28 and name HN ) (resid   27 and name HA ) 0.000  0.000 7.300
ASSI (resid   30 and name HN ) (resid   30 and name HB ) 0.000  0.000 7.300
ASSI (resid   31 and name HN ) (resid   32 and name HB# ) 0.000  0.000 7.300
ASSI (resid   31 and name HN ) (resid   32 and name HG# ) 0.000  0.000 7.300
ASSI (resid   62 and name HN ) (resid   62 and name HA ) 0.000  0.000 7.300
ASSI (resid   65 and name HN ) (resid   65 and name HG# ) 0.000  0.000 7.300
! toegevoegd uit yb1_noe_37.tbl om yb1_noe_41.tbl te maken. 
assign (resid   12 and name HA ) (resid   12 and name HN ) 0.000  0.000 7.300
assign (resid   34 and name HA ) (resid   34 and name HN ) 0.000  0.000 7.300
assign (resid   36 and name HA ) (resid   36 and name HN ) 0.000  0.000 7.300
assign (resid   37 and name HA ) (resid   37 and name HN ) 0.000  0.000 7.300
assign (resid    5 and name HA ) (resid   64 and name HA ) 0.000  0.000 7.300
assign (resid   63 and name HA ) (resid   72 and name HB# ) 0.000  0.000 7.300
assign (resid    4 and name HA ) (resid   64 and name HA ) 0.000  0.000 7.300
! toegevoegd uit ambig_21.tbl om ambig_25.tbl te maken. 
assign (resid    3 and name HN ) (resid   65 and name HB# ) 0.000  0.000 7.300
assign (resid   35 and name HN ) (resid   34 and name HB ) 0.000  0.000 7.300
assign (resid   66 and name HN ) (resid   65 and name HN ) 0.000  0.000 7.300
assign (resid   72 and name HN ) (resid   37 and name HN ) 0.000  0.000 5.000
assign (resid   72 and name HN ) (resid   35 and name HN ) 0.000  0.000 5.500
assign (resid   35 and name HN ) (resid   70 and name HN ) 0.000  0.000 5.000
assign (resid   70 and name HN ) (resid   34 and name HA ) 0.000  0.000 5.000
assign (resid   33 and name HN ) (resid   70 and name HN ) 0.000  0.000 5.000
assign (resid   69 and name HA# ) (resid   32 and name HA ) 0.000  0.000 7.300
assign (resid  4 and name C ) (resid  5 and name N )
       (resid  5 and name CA ) (resid  5 and name C )  1 -125 50  2

assign (resid  5 and name C ) (resid  6 and name N )
       (resid  6 and name CA ) (resid  6 and name C )  1 -120 100  2

assign (resid  6 and name C ) (resid  7 and name N )
       (resid  7 and name CA ) (resid  7 and name C )  1 -130 20  2
assign (resid  7 and name N ) (resid  7 and name CA )
       (resid  7 and name C ) (resid  8 and name N )  1 150 60  2

assign (resid  7 and name C ) (resid  8 and name N )
       (resid  8 and name CA ) (resid  8 and name C )  1 55 30  2
assign (resid  8 and name N ) (resid  8 and name CA )
       (resid  8 and name C ) (resid  9 and name N )  1 30 60  2

assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA ) (resid  9 and name C )  1 -105 30  2
assign (resid  9 and name N ) (resid  9 and name CA )
       (resid  9 and name C ) (resid 10 and name N )  1 140 100  2

assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA ) (resid 10 and name C )  1 -135 30  2
assign (resid 10 and name N ) (resid 10 and name CA )
       (resid 10 and name C ) (resid 11 and name N )  1 145 90  2

assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA ) (resid 12 and name C )  1 -125 10  2
assign (resid 12 and name N ) (resid 12 and name CA )
       (resid 12 and name C ) (resid 13 and name N )  1 145 90  2

assign (resid 16 and name C ) (resid 17 and name N )
       (resid 17 and name CA ) (resid 17 and name C )  1 -90 60  2
assign (resid 17 and name N ) (resid 17 and name CA )
       (resid 17 and name C ) (resid 18 and name N )  1 125 130  2

assign (resid 17 and name C ) (resid 18 and name N )
       (resid 18 and name CA ) (resid 18 and name C )  1 -75 90  2

assign (resid 18 and name C ) (resid 19 and name N )
       (resid 19 and name CA ) (resid 19 and name C )  1 -80 20  2
assign (resid 19 and name N ) (resid 19 and name CA )
       (resid 19 and name C ) (resid 20 and name N )  1 -45 90  2

assign (resid 21 and name C ) (resid 22 and name N )
       (resid 22 and name CA ) (resid 22 and name C )  1 -145 70  2
assign (resid 22 and name N ) (resid 22 and name CA )
       (resid 22 and name C ) (resid 23 and name N )  1 140 100  2

assign (resid 24 and name C ) (resid 25 and name N )
       (resid 25 and name CA ) (resid 25 and name C )  1 -135 30  2
assign (resid 25 and name N ) (resid 25 and name CA )
       (resid 25 and name C ) (resid 26 and name N )  1 140 100  2

assign (resid 25 and name C ) (resid 26 and name N )
       (resid 26 and name CA ) (resid 26 and name C )  1 -115 70  2

assign (resid 31 and name C ) (resid 32 and name N )
       (resid 32 and name CA ) (resid 32 and name C )  1 -145 40  2
assign (resid 32 and name N ) (resid 32 and name CA )
       (resid 32 and name C ) (resid 33 and name N )  1 135 90  2

assign (resid 32 and name C ) (resid 33 and name N )
       (resid 33 and name CA ) (resid 33 and name C )  1 -80 20  2
assign (resid 33 and name N ) (resid 33 and name CA )
       (resid 33 and name C ) (resid 34 and name N )  1 135 90  2

assign (resid 33 and name C ) (resid 34 and name N )
       (resid 34 and name CA ) (resid 34 and name C )  1 -135 30  2
assign (resid 34 and name N ) (resid 34 and name CA )
       (resid 34 and name C ) (resid 35 and name N )  1 135 90  2

assign (resid 35 and name C ) (resid 36 and name N )
       (resid 36 and name CA ) (resid 36 and name C )  1 -150 20  2
assign (resid 36 and name N ) (resid 36 and name CA )
       (resid 36 and name C ) (resid 37 and name N )  1 135 90  2

assign (resid 36 and name C ) (resid 37 and name N )
       (resid 37 and name CA ) (resid 37 and name C )  1 -120 60  2

assign (resid 37 and name C ) (resid 38 and name N )
       (resid 38 and name CA ) (resid 38 and name C )  1 -40 40  2
assign (resid 38 and name N ) (resid 38 and name CA )
       (resid 38 and name C ) (resid 39 and name N )  1 -45 90  2

assign (resid 39 and name C ) (resid 40 and name N )
       (resid 40 and name CA ) (resid 40 and name C )  1 -115 70  2

assign (resid 44 and name C ) (resid 45 and name N )
       (resid 45 and name CA ) (resid 45 and name C )  1 -135 90  2
assign (resid 45 and name N ) (resid 45 and name CA )
       (resid 45 and name C ) (resid 46 and name N )  1 130 120  2

assign (resid 46 and name C ) (resid 47 and name N )
       (resid 47 and name CA ) (resid 47 and name C )  1 -135 30  2
assign (resid 47 and name N ) (resid 47 and name CA )
       (resid 47 and name C ) (resid 48 and name N )  1 50 280  2

assign (resid 52 and name C ) (resid 53 and name N )
       (resid 53 and name CA ) (resid 53 and name C )  1 -132 25  2

assign (resid 56 and name C ) (resid 57 and name N )
       (resid 57 and name CA ) (resid 57 and name C )  1 -60 20  2
assign (resid 57 and name N ) (resid 57 and name CA )
       (resid 57 and name C ) (resid 58 and name N )  1 125 130  2

assign (resid 57 and name C ) (resid 58 and name N )
       (resid 58 and name CA ) (resid 58 and name C )  1 -120 80  2

assign (resid 58 and name C ) (resid 59 and name N )
       (resid 59 and name CA ) (resid 59 and name C )  1 -132 25  2
assign (resid 59 and name N ) (resid 59 and name CA )
       (resid 59 and name C ) (resid 60 and name N )  1 150 60  2

assign (resid 60 and name C ) (resid 61 and name N )
       (resid 61 and name CA ) (resid 61 and name C )  1 -160 20  2
assign (resid 61 and name N ) (resid 61 and name CA )
       (resid 61 and name C ) (resid 62 and name N )  1 140 100  2

assign (resid 62 and name C ) (resid 63 and name N )
       (resid 63 and name CA ) (resid 63 and name C )  1 -105 30  2
assign (resid 63 and name N ) (resid 63 and name CA )
       (resid 63 and name C ) (resid 64 and name N )  1 130 120  2

assign (resid 63 and name C ) (resid 64 and name N )
       (resid 64 and name CA ) (resid 64 and name C )  1 -125 10  2
assign (resid 64 and name N ) (resid 64 and name CA )
       (resid 64 and name C ) (resid 65 and name N )  1 155 70  2

assign (resid 66 and name C ) (resid 67 and name N )
       (resid 67 and name CA ) (resid 67 and name C )  1 -95 30  2
assign (resid 67 and name N ) (resid 67 and name CA )
       (resid 67 and name C ) (resid 68 and name N )  1 -30 120  2

assign (resid 67 and name C ) (resid 68 and name N )
       (resid 68 and name CA ) (resid 68 and name C )  1 -120 60  2

assign (resid 70 and name C ) (resid 71 and name N )
       (resid 71 and name CA ) (resid 71 and name C )  1 -135 30  2
assign (resid 71 and name N ) (resid 71 and name CA )
       (resid 71 and name C ) (resid 72 and name N )  1 140 80  2

assign (resid 71 and name C ) (resid 72 and name N )
       (resid 72 and name CA ) (resid 72 and name C )  1 -162 15  2
assign (resid 72 and name N ) (resid 72 and name CA )
       (resid 72 and name C ) (resid 73 and name N )  1 135 90  2

assign (resid 72 and name C ) (resid 73 and name N )
       (resid 73 and name CA ) (resid 73 and name C )  1 -135 30  2
assign (resid 73 and name N ) (resid 73 and name CA )
       (resid 73 and name C ) (resid 74 and name N )  1 145 90  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   1.630 -20.823   5.213
    2    H2   MET   1           H2       MET   1   1.409 -19.260   4.645
    3    H3   MET   1           H3       MET   1   0.321 -20.490   4.212
    4    HA   MET   1           HA       MET   1   2.056 -21.667   3.078
    5   1HB   MET   1          1HB       MET   1   2.263 -20.202   1.085
    6   2HB   MET   1          2HB       MET   1   0.620 -20.305   1.721
    7   1HG   MET   1          1HG       MET   1   2.489 -17.977   2.464
    8   2HG   MET   1          2HG       MET   1   1.622 -18.026   0.920
    9   1HE   MET   1          1HE       MET   1  -0.721 -17.738   0.420
   10   2HE   MET   1          2HE       MET   1  -1.210 -19.206   1.338
   11   3HE   MET   1          3HE       MET   1  -2.071 -17.657   1.602
   12    H    LYS   2           H        LYS   2   4.181 -21.044   1.611
   13    HA   LYS   2           HA       LYS   2   6.114 -21.189   3.618
   14   1HB   LYS   2          1HB       LYS   2   6.059 -22.474   1.493
   15   2HB   LYS   2          2HB       LYS   2   6.433 -20.987   0.585
   16   1HG   LYS   2          1HG       LYS   2   8.631 -20.833   1.838
   17   2HG   LYS   2          2HG       LYS   2   8.192 -22.316   2.744
   18   1HD   LYS   2          1HD       LYS   2   8.090 -23.593   0.578
   19   2HD   LYS   2          2HD       LYS   2   8.530 -22.092  -0.305
   20   1HE   LYS   2          1HE       LYS   2  10.722 -22.025   0.987
   21   2HE   LYS   2          2HE       LYS   2  10.272 -23.575   1.788
   22   1HZ   LYS   2          1HZ       LYS   2  10.174 -24.566  -0.506
   23   2HZ   LYS   2          2HZ       LYS   2  10.772 -23.128  -1.121
   24   3HZ   LYS   2          3HZ       LYS   2  11.686 -23.992   0.000
   25    H    LYS   3           H        LYS   3   5.883 -18.742   0.959
   26    HA   LYS   3           HA       LYS   3   7.598 -17.030   2.636
   27   1HB   LYS   3          1HB       LYS   3   8.706 -18.107   0.643
   28   2HB   LYS   3          2HB       LYS   3   7.624 -17.182  -0.417
   29   1HG   LYS   3          1HG       LYS   3   8.566 -15.038   0.706
   30   2HG   LYS   3          2HG       LYS   3   9.637 -16.099   1.656
   31   1HD   LYS   3          1HD       LYS   3  10.607 -16.998  -0.500
   32   2HD   LYS   3          2HD       LYS   3   9.639 -15.792  -1.399
   33   1HE   LYS   3          1HE       LYS   3  10.836 -13.939  -0.097
   34   2HE   LYS   3          2HE       LYS   3  11.805 -15.206   0.750
   35   1HZ   LYS   3          1HZ       LYS   3  12.412 -15.933  -1.615
   36   2HZ   LYS   3          2HZ       LYS   3  11.902 -14.421  -2.117
   37   3HZ   LYS   3          3HZ       LYS   3  13.152 -14.560  -0.989
   38    H    VAL   4           H        VAL   4   6.218 -15.965  -0.378
   39    HA   VAL   4           HA       VAL   4   4.948 -13.844   1.081
   40    HB   VAL   4           HB       VAL   4   4.679 -12.771  -1.003
   41   1HG1  VAL   4          1HG1      VAL   4   7.140 -13.268   0.040
   42   2HG1  VAL   4          2HG1      VAL   4   7.339 -14.254  -1.434
   43   3HG1  VAL   4          3HG1      VAL   4   6.992 -12.497  -1.579
   44   1HG2  VAL   4          1HG2      VAL   4   5.409 -15.444  -2.339
   45   2HG2  VAL   4          2HG2      VAL   4   3.809 -14.586  -2.413
   46   3HG2  VAL   4          3HG2      VAL   4   5.261 -13.844  -3.167
   47    H    ILE   5           H        ILE   5   2.602 -13.041   0.340
   48    HA   ILE   5           HA       ILE   5   0.996 -15.465   0.447
   49    HB   ILE   5           HB       ILE   5   0.332 -12.542   0.847
   50   1HG1  ILE   5          1HG1      ILE   5  -0.276 -13.807   3.167
   51   2HG1  ILE   5          2HG1      ILE   5   1.001 -14.919   2.631
   52   1HG2  ILE   5          1HG2      ILE   5  -1.374 -15.120   0.985
   53   2HG2  ILE   5          2HG2      ILE   5  -1.877 -13.527   1.636
   54   3HG2  ILE   5          3HG2      ILE   5  -1.627 -13.734  -0.133
   55   1HD1  ILE   5          1HD1      ILE   5   2.456 -12.675   2.316
   56   2HD1  ILE   5          2HD1      ILE   5   1.182 -11.955   3.369
   57   3HD1  ILE   5          3HD1      ILE   5   2.171 -13.339   3.965
   58    H    ALA   6           H        ALA   6   1.085 -12.411  -1.410
   59    HA   ALA   6           HA       ALA   6   0.547 -13.904  -3.817
   60   1HB   ALA   6          1HB       ALA   6  -1.790 -12.977  -4.174
   61   2HB   ALA   6          2HB       ALA   6  -1.704 -14.044  -2.736
   62   3HB   ALA   6          3HB       ALA   6  -1.724 -12.270  -2.514
   63    H    THR   7           H        THR   7   0.078 -12.612  -5.701
   64    HA   THR   7           HA       THR   7   0.783  -9.790  -5.581
   65    HB   THR   7           HB       THR   7   0.997  -9.926  -7.993
   66    HG1  THR   7           HG1      THR   7   0.917 -11.928  -8.966
   67   1HG2  THR   7          1HG2      THR   7   2.965 -10.493  -6.521
   68   2HG2  THR   7          2HG2      THR   7   2.499 -12.237  -6.583
   69   3HG2  THR   7          3HG2      THR   7   3.003 -11.366  -8.084
   70    H    LYS   8           H        LYS   8  -0.476  -8.302  -6.862
   71    HA   LYS   8           HA       LYS   8  -2.299  -7.303  -7.484
   72   1HB   LYS   8          1HB       LYS   8  -3.402  -9.998  -8.355
   73   2HB   LYS   8          2HB       LYS   8  -3.826  -8.388  -8.992
   74   1HG   LYS   8          1HG       LYS   8  -1.427  -8.181  -9.855
   75   2HG   LYS   8          2HG       LYS   8  -1.187  -9.895  -9.381
   76   1HD   LYS   8          1HD       LYS   8  -3.254 -10.491 -10.735
   77   2HD   LYS   8          2HD       LYS   8  -3.310  -8.800 -11.328
   78   1HE   LYS   8          1HE       LYS   8  -1.006  -9.141 -12.372
   79   2HE   LYS   8          2HE       LYS   8  -1.080 -10.877 -11.850
   80   1HZ   LYS   8          1HZ       LYS   8  -3.253 -10.963 -13.115
   81   2HZ   LYS   8          2HZ       LYS   8  -2.908  -9.443 -13.702
   82   3HZ   LYS   8          3HZ       LYS   8  -1.875 -10.715 -14.081
   83    H    VAL   9           H        VAL   9  -2.527  -7.360  -4.872
   84    HA   VAL   9           HA       VAL   9  -5.021  -8.670  -4.129
   85    HB   VAL   9           HB       VAL   9  -2.824  -7.610  -2.328
   86   1HG1  VAL   9          1HG1      VAL   9  -5.072  -8.160  -1.263
   87   2HG1  VAL   9          2HG1      VAL   9  -4.989  -9.813  -1.985
   88   3HG1  VAL   9          3HG1      VAL   9  -3.779  -9.308  -0.747
   89   1HG2  VAL   9          1HG2      VAL   9  -3.022 -10.385  -3.651
   90   2HG2  VAL   9          2HG2      VAL   9  -1.671  -9.198  -3.775
   91   3HG2  VAL   9          3HG2      VAL   9  -2.006 -10.001  -2.213
   92    H    LEU  10           H        LEU  10  -6.628  -7.469  -3.014
   93    HA   LEU  10           HA       LEU  10  -6.272  -4.564  -3.124
   94   1HB   LEU  10          1HB       LEU  10  -8.703  -6.417  -3.227
   95   2HB   LEU  10          2HB       LEU  10  -8.860  -4.677  -2.901
   96    HG   LEU  10           HG       LEU  10  -9.397  -5.195  -5.185
   97   1HD1  LEU  10          1HD1      LEU  10  -8.461  -2.959  -4.614
   98   2HD1  LEU  10          2HD1      LEU  10  -6.798  -3.540  -4.999
   99   3HD1  LEU  10          3HD1      LEU  10  -8.043  -3.448  -6.296
  100   1HD2  LEU  10          1HD2      LEU  10  -7.829  -7.162  -5.561
  101   2HD2  LEU  10          2HD2      LEU  10  -7.835  -5.943  -6.889
  102   3HD2  LEU  10          3HD2      LEU  10  -6.472  -5.986  -5.724
  103    H    GLY  11           H        GLY  11  -6.928  -3.261  -1.397
  104   1HA   GLY  11          1HA       GLY  11  -6.355  -4.267   1.143
  105   2HA   GLY  11          2HA       GLY  11  -8.142  -4.171   0.887
  106    H    THR  12           H        THR  12  -6.944  -2.656   2.906
  107    HA   THR  12           HA       THR  12  -7.700  -0.033   1.796
  108    HB   THR  12           HB       THR  12  -7.860  -0.989   4.681
  109    HG1  THR  12           HG1      THR  12  -9.916  -1.387   4.343
  110   1HG2  THR  12          1HG2      THR  12  -9.195   1.307   3.078
  111   2HG2  THR  12          2HG2      THR  12  -9.532   0.927   4.803
  112   3HG2  THR  12          3HG2      THR  12  -7.923   1.529   4.321
  113    H    VAL  13           H        VAL  13  -6.201   1.544   1.788
  114    HA   VAL  13           HA       VAL  13  -3.793   1.184   3.350
  115    HB   VAL  13           HB       VAL  13  -4.600   3.300   1.343
  116   1HG1  VAL  13          1HG1      VAL  13  -1.893   2.624   2.689
  117   2HG1  VAL  13          2HG1      VAL  13  -2.113   3.748   1.302
  118   3HG1  VAL  13          3HG1      VAL  13  -2.828   4.157   2.897
  119   1HG2  VAL  13          1HG2      VAL  13  -2.827   0.781   1.101
  120   2HG2  VAL  13          2HG2      VAL  13  -4.425   1.028   0.299
  121   3HG2  VAL  13          3HG2      VAL  13  -3.019   2.057  -0.151
  122    H    LYS  14           H        LYS  14  -3.318   2.275   5.222
  123    HA   LYS  14           HA       LYS  14  -4.957   4.604   5.857
  124   1HB   LYS  14          1HB       LYS  14  -5.307   3.926   8.104
  125   2HB   LYS  14          2HB       LYS  14  -6.015   2.716   6.991
  126   1HG   LYS  14          1HG       LYS  14  -4.049   1.217   7.320
  127   2HG   LYS  14          2HG       LYS  14  -3.322   2.387   8.457
  128   1HD   LYS  14          1HD       LYS  14  -6.013   0.936   8.836
  129   2HD   LYS  14          2HD       LYS  14  -4.457   0.560   9.648
  130   1HE   LYS  14          1HE       LYS  14  -4.491   2.901  10.675
  131   2HE   LYS  14          2HE       LYS  14  -6.146   3.128   9.977
  132   1HZ   LYS  14          1HZ       LYS  14  -6.714   0.990  11.237
  133   2HZ   LYS  14          2HZ       LYS  14  -5.261   1.230  12.069
  134   3HZ   LYS  14          3HZ       LYS  14  -6.455   2.405  12.126
  135    H    TRP  15           H        TRP  15  -4.074   5.939   7.507
  136    HA   TRP  15           HA       TRP  15  -2.514   7.390   7.857
  137   1HB   TRP  15          1HB       TRP  15  -2.822   5.868   9.814
  138   2HB   TRP  15          2HB       TRP  15  -1.349   5.001   9.322
  139    HD1  TRP  15           HD1      TRP  15  -0.545   8.668   8.958
  140    HE1  TRP  15           HE1      TRP  15   0.734   9.421  11.037
  141    HE3  TRP  15           HE3      TRP  15  -1.565   4.712  11.974
  142    HZ2  TRP  15           HZ2      TRP  15   1.181   8.486  13.671
  143    HZ3  TRP  15           HZ3      TRP  15  -0.652   4.687  14.241
  144    HH2  TRP  15           HH2      TRP  15   0.701   6.540  15.074
  145    H    PHE  16           H        PHE  16  -1.812   7.369   5.472
  146    HA   PHE  16           HA       PHE  16   0.927   6.587   5.159
  147   1HB   PHE  16          1HB       PHE  16  -0.762   6.627   3.270
  148   2HB   PHE  16          2HB       PHE  16  -0.770   8.411   3.374
  149    HD1  PHE  16           HD1      PHE  16   1.006   9.644   2.457
  150    HD2  PHE  16           HD2      PHE  16   1.349   5.425   2.723
  151    HE1  PHE  16           HE1      PHE  16   3.024   9.716   1.046
  152    HE2  PHE  16           HE2      PHE  16   3.364   5.491   1.335
  153    HZ   PHE  16           HZ       PHE  16   4.202   7.643   0.487
  154    H    ASN  17           H        ASN  17   2.598   7.617   5.962
  155    HA   ASN  17           HA       ASN  17   2.344  10.408   6.762
  156   1HB   ASN  17          1HB       ASN  17   3.152   8.771   8.463
  157   2HB   ASN  17          2HB       ASN  17   4.448   8.238   7.339
  158   1HD2  ASN  17          2HD2      ASN  17   6.391   9.236   7.667
  159   2HD2  ASN  17          1HD2      ASN  17   6.619  10.836   8.319
  160    H    VAL  18           H        VAL  18   2.771  11.778   5.157
  161    HA   VAL  18           HA       VAL  18   4.165  11.025   2.833
  162    HB   VAL  18           HB       VAL  18   3.237  13.754   3.817
  163   1HG1  VAL  18          1HG1      VAL  18   3.886  12.666   0.986
  164   2HG1  VAL  18          2HG1      VAL  18   3.087  14.241   1.324
  165   3HG1  VAL  18          3HG1      VAL  18   4.779  13.967   1.853
  166   1HG2  VAL  18          1HG2      VAL  18   1.329  12.084   3.776
  167   2HG2  VAL  18          2HG2      VAL  18   1.178  13.306   2.472
  168   3HG2  VAL  18          3HG2      VAL  18   1.773  11.662   2.077
  169    H    ARG  19           H        ARG  19   5.105  12.842   5.711
  170    HA   ARG  19           HA       ARG  19   7.252  14.168   4.559
  171   1HB   ARG  19          1HB       ARG  19   6.800  13.223   7.443
  172   2HB   ARG  19          2HB       ARG  19   8.121  14.305   6.960
  173   1HG   ARG  19          1HG       ARG  19   6.520  16.024   6.189
  174   2HG   ARG  19          2HG       ARG  19   5.138  14.991   6.691
  175   1HD   ARG  19          1HD       ARG  19   5.994  14.999   9.064
  176   2HD   ARG  19          2HD       ARG  19   7.417  15.971   8.523
  177    HE   ARG  19           HE       ARG  19   4.580  17.035   8.112
  178   1HH1  ARG  19          1HH1      ARG  19   4.176  19.076   8.728
  179   2HH1  ARG  19          2HH1      ARG  19   5.407  20.108   9.416
  180   1HH2  ARG  19          1HH2      ARG  19   7.677  17.434   9.879
  181   2HH2  ARG  19          2HH2      ARG  19   7.224  19.014  10.334
  182    H    ASN  20           H        ASN  20   7.217  10.948   6.103
  183    HA   ASN  20           HA       ASN  20   9.990  10.610   5.156
  184   1HB   ASN  20          1HB       ASN  20   8.328   8.724   6.917
  185   2HB   ASN  20          2HB       ASN  20  10.045   8.494   6.418
  186   1HD2  ASN  20          2HD2      ASN  20  11.374  10.786   6.843
  187   2HD2  ASN  20          1HD2      ASN  20  11.160  11.367   8.458
  188    H    GLY  21           H        GLY  21   6.681   9.471   4.547
  189   1HA   GLY  21          1HA       GLY  21   7.694   8.474   2.010
  190   2HA   GLY  21          2HA       GLY  21   6.022   8.912   2.457
  191    H    TYR  22           H        TYR  22   5.653   7.419   4.704
  192    HA   TYR  22           HA       TYR  22   5.710   4.665   3.712
  193   1HB   TYR  22          1HB       TYR  22   6.816   5.768   6.348
  194   2HB   TYR  22          2HB       TYR  22   5.970   4.197   6.396
  195    HD1  TYR  22           HD1      TYR  22   6.677   2.349   4.935
  196    HD2  TYR  22           HD2      TYR  22   9.060   5.801   5.602
  197    HE1  TYR  22           HE1      TYR  22   8.683   1.064   4.371
  198    HE2  TYR  22           HE2      TYR  22  11.073   4.517   5.029
  199    HH   TYR  22           HH       TYR  22  10.914   1.048   4.317
  200    H    GLY  23           H        GLY  23   3.926   3.461   4.257
  201   1HA   GLY  23          1HA       GLY  23   1.481   4.322   4.648
  202   2HA   GLY  23          2HA       GLY  23   2.149   4.449   6.318
  203    H    PHE  24           H        PHE  24   0.044   2.689   6.070
  204    HA   PHE  24           HA       PHE  24   1.196   0.157   5.359
  205   1HB   PHE  24          1HB       PHE  24   0.722  -1.018   7.410
  206   2HB   PHE  24          2HB       PHE  24   1.934   0.252   7.642
  207    HD1  PHE  24           HD1      PHE  24   1.194   2.462   8.683
  208    HD2  PHE  24           HD2      PHE  24  -1.197  -1.051   8.725
  209    HE1  PHE  24           HE1      PHE  24  -0.045   3.337  10.592
  210    HE2  PHE  24           HE2      PHE  24  -2.427  -0.184  10.655
  211    HZ   PHE  24           HZ       PHE  24  -1.860   2.015  11.588
  212    H    ILE  25           H        ILE  25  -0.193  -1.545   5.115
  213    HA   ILE  25           HA       ILE  25  -2.916  -0.651   4.464
  214    HB   ILE  25           HB       ILE  25  -1.755  -3.150   3.325
  215   1HG1  ILE  25          1HG1      ILE  25  -1.105  -0.275   2.394
  216   2HG1  ILE  25          2HG1      ILE  25   0.072  -1.520   2.896
  217   1HG2  ILE  25          1HG2      ILE  25  -4.162  -2.536   3.010
  218   2HG2  ILE  25          2HG2      ILE  25  -3.650  -0.975   2.249
  219   3HG2  ILE  25          3HG2      ILE  25  -3.277  -2.537   1.459
  220   1HD1  ILE  25          1HD1      ILE  25  -0.663  -2.945   0.888
  221   2HD1  ILE  25          2HD1      ILE  25  -1.624  -1.531   0.328
  222   3HD1  ILE  25          3HD1      ILE  25   0.154  -1.391   0.485
  223    H    ASN  26           H        ASN  26  -4.609  -1.811   5.112
  224    HA   ASN  26           HA       ASN  26  -4.095  -3.915   7.088
  225   1HB   ASN  26          1HB       ASN  26  -5.662  -1.900   7.519
  226   2HB   ASN  26          2HB       ASN  26  -6.766  -2.599   6.304
  227   1HD2  ASN  26          2HD2      ASN  26  -4.938  -3.540   9.338
  228   2HD2  ASN  26          1HD2      ASN  26  -6.364  -4.172  10.100
  229    H    ARG  27           H        ARG  27  -3.358  -5.498   5.647
  230    HA   ARG  27           HA       ARG  27  -4.660  -6.362   3.408
  231   1HB   ARG  27          1HB       ARG  27  -2.315  -6.655   4.379
  232   2HB   ARG  27          2HB       ARG  27  -2.936  -8.004   5.336
  233   1HG   ARG  27          1HG       ARG  27  -2.996  -7.851   2.242
  234   2HG   ARG  27          2HG       ARG  27  -1.648  -8.479   3.230
  235   1HD   ARG  27          1HD       ARG  27  -2.521 -10.498   2.888
  236   2HD   ARG  27          2HD       ARG  27  -3.564 -10.045   4.306
  237    HE   ARG  27           HE       ARG  27  -4.937  -9.046   2.038
  238   1HH1  ARG  27          1HH1      ARG  27  -3.731 -12.409   2.858
  239   2HH1  ARG  27          2HH1      ARG  27  -4.797 -13.051   1.649
  240   1HH2  ARG  27          1HH2      ARG  27  -6.642 -10.219   1.129
  241   2HH2  ARG  27          2HH2      ARG  27  -6.605 -11.892   1.123
  242    H    ASN  28           H        ASN  28  -6.586  -7.200   3.158
  243    HA   ASN  28           HA       ASN  28  -8.223  -7.389   5.210
  244   1HB   ASN  28          1HB       ASN  28 -10.005  -8.075   3.638
  245   2HB   ASN  28          2HB       ASN  28  -9.025  -6.643   3.201
  246   1HD2  ASN  28          2HD2      ASN  28 -10.345  -7.423   1.161
  247   2HD2  ASN  28          1HD2      ASN  28  -9.418  -8.373   0.037
  248    H    ASP  29           H        ASP  29  -7.045 -10.471   3.793
  249    HA   ASP  29           HA       ASP  29  -9.122 -11.896   4.882
  250   1HB   ASP  29          1HB       ASP  29  -6.350 -12.702   3.935
  251   2HB   ASP  29          2HB       ASP  29  -7.428 -13.906   4.734
  252    H    THR  30           H        THR  30  -5.983 -11.490   6.762
  253    HA   THR  30           HA       THR  30  -7.748 -12.012   8.982
  254    HB   THR  30           HB       THR  30  -6.886 -14.205   8.623
  255    HG1  THR  30           HG1      THR  30  -5.584 -12.868  10.728
  256   1HG2  THR  30          1HG2      THR  30  -4.743 -13.661   7.423
  257   2HG2  THR  30          2HG2      THR  30  -4.064 -13.025   8.975
  258   3HG2  THR  30          3HG2      THR  30  -4.523 -14.761   8.838
  259    H    LYS  31           H        LYS  31  -6.872  -9.728   7.728
  260    HA   LYS  31           HA       LYS  31  -6.120  -7.746   8.220
  261   1HB   LYS  31          1HB       LYS  31  -7.188  -8.977  10.673
  262   2HB   LYS  31          2HB       LYS  31  -6.129  -7.589  11.013
  263   1HG   LYS  31          1HG       LYS  31  -8.285  -6.714  10.902
  264   2HG   LYS  31          2HG       LYS  31  -7.476  -6.174   9.411
  265   1HD   LYS  31          1HD       LYS  31  -8.721  -7.973   8.111
  266   2HD   LYS  31          2HD       LYS  31  -9.390  -8.576   9.661
  267   1HE   LYS  31          1HE       LYS  31 -11.163  -7.294   8.670
  268   2HE   LYS  31          2HE       LYS  31 -10.482  -6.289  10.001
  269   1HZ   LYS  31          1HZ       LYS  31  -9.060  -5.269   8.091
  270   2HZ   LYS  31          2HZ       LYS  31 -10.258  -5.934   7.076
  271   3HZ   LYS  31          3HZ       LYS  31 -10.660  -4.842   8.289
  272    H    GLU  32           H        GLU  32  -3.931  -8.587   7.243
  273    HA   GLU  32           HA       GLU  32  -1.939  -8.738   9.389
  274   1HB   GLU  32          1HB       GLU  32  -2.333  -9.862   6.614
  275   2HB   GLU  32          2HB       GLU  32  -0.675  -9.777   7.342
  276   1HG   GLU  32          1HG       GLU  32  -1.620 -10.989   9.402
  277   2HG   GLU  32          2HG       GLU  32  -3.156 -11.188   8.490
  278    H    ASP  33           H        ASP  33   0.093  -7.710   9.208
  279    HA   ASP  33           HA       ASP  33  -0.385  -5.051   8.358
  280   1HB   ASP  33          1HB       ASP  33   1.692  -4.584   9.706
  281   2HB   ASP  33          2HB       ASP  33   0.369  -5.402  10.594
  282    H    VAL  34           H        VAL  34   0.025  -4.371   6.407
  283    HA   VAL  34           HA       VAL  34   2.422  -5.368   5.018
  284    HB   VAL  34           HB       VAL  34  -0.279  -4.367   4.091
  285   1HG1  VAL  34          1HG1      VAL  34   2.284  -4.971   2.467
  286   2HG1  VAL  34          2HG1      VAL  34   0.659  -4.743   1.741
  287   3HG1  VAL  34          3HG1      VAL  34   1.459  -3.366   2.565
  288   1HG2  VAL  34          1HG2      VAL  34  -0.096  -6.815   4.746
  289   2HG2  VAL  34          2HG2      VAL  34  -0.331  -6.594   2.960
  290   3HG2  VAL  34          3HG2      VAL  34   1.305  -6.975   3.616
  291    H    PHE  35           H        PHE  35   4.059  -3.946   5.270
  292    HA   PHE  35           HA       PHE  35   3.408  -1.121   5.544
  293   1HB   PHE  35          1HB       PHE  35   6.024  -2.722   5.748
  294   2HB   PHE  35          2HB       PHE  35   5.968  -0.922   5.810
  295    HD1  PHE  35           HD1      PHE  35   4.777   0.219   7.567
  296    HD2  PHE  35           HD2      PHE  35   5.215  -4.001   7.627
  297    HE1  PHE  35           HE1      PHE  35   4.113   0.189   9.933
  298    HE2  PHE  35           HE2      PHE  35   4.542  -4.049   9.974
  299    HZ   PHE  35           HZ       PHE  35   3.961  -1.945  11.127
  300    H    VAL  36           H        VAL  36   3.694   0.467   4.030
  301    HA   VAL  36           HA       VAL  36   4.782  -0.429   1.477
  302    HB   VAL  36           HB       VAL  36   2.396  -0.650   1.406
  303   1HG1  VAL  36          1HG1      VAL  36   1.699   1.002   3.125
  304   2HG1  VAL  36          2HG1      VAL  36   2.268   2.358   2.087
  305   3HG1  VAL  36          3HG1      VAL  36   0.907   1.305   1.539
  306   1HG2  VAL  36          1HG2      VAL  36   3.725   0.040  -0.621
  307   2HG2  VAL  36          2HG2      VAL  36   2.023   0.648  -0.628
  308   3HG2  VAL  36          3HG2      VAL  36   3.385   1.766  -0.239
  309    H    HIS  37           H        HIS  37   6.047   0.886   0.471
  310    HA   HIS  37           HA       HIS  37   6.574   3.536   1.645
  311   1HB   HIS  37          1HB       HIS  37   8.347   1.784   1.975
  312   2HB   HIS  37          2HB       HIS  37   8.439   1.574   0.211
  313    HD1  HIS  37           HD1      HIS  37  10.493   2.753  -0.668
  314    HD2  HIS  37           HD2      HIS  37   8.879   4.815   2.607
  315    HE1  HIS  37           HE1      HIS  37  12.014   4.731  -0.170
  316    H    GLN  38           H        GLN  38   7.197   5.219   0.263
  317    HA   GLN  38           HA       GLN  38   5.757   5.604  -1.979
  318   1HB   GLN  38          1HB       GLN  38   7.074   7.611  -2.295
  319   2HB   GLN  38          2HB       GLN  38   6.673   7.329  -0.578
  320   1HG   GLN  38          1HG       GLN  38   8.982   6.313  -0.254
  321   2HG   GLN  38          2HG       GLN  38   9.405   6.825  -1.938
  322   1HE2  GLN  38          2HE2      GLN  38  10.565   7.589   0.662
  323   2HE2  GLN  38          1HE2      GLN  38  10.423   9.328   0.763
  324    H    THR  39           H        THR  39   8.974   4.087  -1.967
  325    HA   THR  39           HA       THR  39   9.314   4.526  -4.753
  326    HB   THR  39           HB       THR  39  11.212   2.973  -4.611
  327    HG1  THR  39           HG1      THR  39  11.855   2.424  -2.551
  328   1HG2  THR  39          1HG2      THR  39  11.422   5.453  -4.241
  329   2HG2  THR  39          2HG2      THR  39  11.122   5.223  -2.482
  330   3HG2  THR  39          3HG2      THR  39  12.589   4.519  -3.245
  331    H    ALA  40           H        ALA  40   7.338   2.296  -3.085
  332    HA   ALA  40           HA       ALA  40   7.577   0.267  -5.147
  333   1HB   ALA  40          1HB       ALA  40   5.801   0.490  -2.646
  334   2HB   ALA  40          2HB       ALA  40   5.950  -0.962  -3.698
  335   3HB   ALA  40          3HB       ALA  40   7.363  -0.390  -2.747
  336    H    ILE  41           H        ILE  41   5.814   3.143  -4.571
  337    HA   ILE  41           HA       ILE  41   3.401   2.406  -5.871
  338    HB   ILE  41           HB       ILE  41   4.585   5.144  -5.385
  339   1HG1  ILE  41          1HG1      ILE  41   4.612   4.078  -3.234
  340   2HG1  ILE  41          2HG1      ILE  41   3.335   5.308  -3.351
  341   1HG2  ILE  41          1HG2      ILE  41   1.711   4.081  -5.876
  342   2HG2  ILE  41          2HG2      ILE  41   2.089   5.751  -5.315
  343   3HG2  ILE  41          3HG2      ILE  41   2.652   5.207  -6.925
  344   1HD1  ILE  41          1HD1      ILE  41   1.632   3.402  -3.699
  345   2HD1  ILE  41          2HD1      ILE  41   2.988   2.256  -3.324
  346   3HD1  ILE  41          3HD1      ILE  41   2.446   3.442  -2.092
  347    H    LYS  42           H        LYS  42   2.865   2.508  -8.012
  348    HA   LYS  42           HA       LYS  42   4.951   2.853  -9.885
  349   1HB   LYS  42          1HB       LYS  42   1.941   2.442 -10.099
  350   2HB   LYS  42          2HB       LYS  42   2.975   2.523 -11.547
  351   1HG   LYS  42          1HG       LYS  42   3.343   0.459  -9.305
  352   2HG   LYS  42          2HG       LYS  42   2.399   0.229 -10.806
  353   1HD   LYS  42          1HD       LYS  42   4.502   0.812 -12.143
  354   2HD   LYS  42          2HD       LYS  42   5.425   0.817 -10.621
  355   1HE   LYS  42          1HE       LYS  42   5.734  -1.313 -11.846
  356   2HE   LYS  42          2HE       LYS  42   4.896  -1.617 -10.272
  357   1HZ   LYS  42          1HZ       LYS  42   3.392  -1.190 -12.808
  358   2HZ   LYS  42          2HZ       LYS  42   3.933  -2.722 -12.331
  359   3HZ   LYS  42          3HZ       LYS  42   2.852  -1.869 -11.375
  360    H    LYS  43           H        LYS  43   4.741   4.081 -11.886
  361    HA   LYS  43           HA       LYS  43   4.751   5.880 -13.015
  362   1HB   LYS  43          1HB       LYS  43   2.371   5.118 -13.014
  363   2HB   LYS  43          2HB       LYS  43   1.990   6.434 -11.895
  364   1HG   LYS  43          1HG       LYS  43   2.812   8.074 -13.703
  365   2HG   LYS  43          2HG       LYS  43   3.236   6.674 -14.723
  366   1HD   LYS  43          1HD       LYS  43   1.133   7.642 -15.456
  367   2HD   LYS  43          2HD       LYS  43   0.855   5.983 -14.820
  368   1HE   LYS  43          1HE       LYS  43  -0.102   6.874 -12.725
  369   2HE   LYS  43          2HE       LYS  43   0.336   8.560 -13.194
  370   1HZ   LYS  43          1HZ       LYS  43  -1.547   6.833 -14.762
  371   2HZ   LYS  43          2HZ       LYS  43  -1.973   7.980 -13.572
  372   3HZ   LYS  43          3HZ       LYS  43  -1.214   8.485 -14.959
  373    H    ASN  44           H        ASN  44   2.825   8.141 -11.440
  374    HA   ASN  44           HA       ASN  44   4.888   9.305  -9.865
  375   1HB   ASN  44          1HB       ASN  44   5.401  10.070 -12.256
  376   2HB   ASN  44          2HB       ASN  44   3.763  10.800 -12.325
  377   1HD2  ASN  44          2HD2      ASN  44   5.397  12.663 -12.876
  378   2HD2  ASN  44          1HD2      ASN  44   5.737  13.702 -11.527
  379    H    ASN  45           H        ASN  45   3.973  10.696  -8.346
  380    HA   ASN  45           HA       ASN  45   1.036  10.916  -8.395
  381   1HB   ASN  45          1HB       ASN  45   2.929  10.558  -5.998
  382   2HB   ASN  45          2HB       ASN  45   1.164  10.862  -5.888
  383   1HD2  ASN  45          2HD2      ASN  45  -0.319   9.180  -6.638
  384   2HD2  ASN  45          1HD2      ASN  45   0.235   7.551  -6.843
  385    HA   PRO  46           HA       PRO  46   2.815  15.056  -8.159
  386   1HB   PRO  46          1HB       PRO  46   0.778  16.558  -9.216
  387   2HB   PRO  46          2HB       PRO  46   1.837  15.506 -10.217
  388   1HG   PRO  46          1HG       PRO  46  -0.933  14.776  -9.080
  389   2HG   PRO  46          2HG       PRO  46  -0.377  14.641 -10.811
  390   1HD   PRO  46          1HD       PRO  46  -0.251  12.507  -9.036
  391   2HD   PRO  46          2HD       PRO  46   1.062  12.772 -10.272
  392    H    ARG  47           H        ARG  47   2.096  17.209  -7.204
  393    HA   ARG  47           HA       ARG  47   1.003  16.508  -4.573
  394   1HB   ARG  47          1HB       ARG  47   2.908  18.637  -5.620
  395   2HB   ARG  47          2HB       ARG  47   2.390  18.528  -3.898
  396   1HG   ARG  47          1HG       ARG  47   3.428  16.411  -3.587
  397   2HG   ARG  47          2HG       ARG  47   3.782  16.165  -5.322
  398   1HD   ARG  47          1HD       ARG  47   5.009  18.459  -3.658
  399   2HD   ARG  47          2HD       ARG  47   5.776  16.828  -3.886
  400    HE   ARG  47           HE       ARG  47   5.045  17.749  -6.487
  401   1HH1  ARG  47          1HH1      ARG  47   7.322  18.761  -3.905
  402   2HH1  ARG  47          2HH1      ARG  47   8.501  19.317  -5.047
  403   1HH2  ARG  47          1HH2      ARG  47   6.649  18.557  -7.943
  404   2HH2  ARG  47          2HH2      ARG  47   8.121  19.190  -7.305
  405    H    LYS  48           H        LYS  48  -1.165  16.845  -5.966
  406    HA   LYS  48           HA       LYS  48  -2.163  19.464  -5.266
  407   1HB   LYS  48          1HB       LYS  48  -2.908  19.965  -7.611
  408   2HB   LYS  48          2HB       LYS  48  -1.139  19.936  -7.439
  409   1HG   LYS  48          1HG       LYS  48  -1.025  17.643  -8.377
  410   2HG   LYS  48          2HG       LYS  48  -2.810  17.576  -8.512
  411   1HD   LYS  48          1HD       LYS  48  -2.814  19.448 -10.097
  412   2HD   LYS  48          2HD       LYS  48  -1.051  19.676  -9.906
  413   1HE   LYS  48          1HE       LYS  48  -0.569  17.492 -10.966
  414   2HE   LYS  48          2HE       LYS  48  -2.334  17.095 -11.047
  415   1HZ   LYS  48          1HZ       LYS  48  -1.112  19.480 -12.302
  416   2HZ   LYS  48          2HZ       LYS  48  -1.380  18.040 -13.148
  417   3HZ   LYS  48          3HZ       LYS  48  -2.688  18.912 -12.487
  418    H    TYR  49           H        TYR  49  -4.476  19.699  -6.097
  419    HA   TYR  49           HA       TYR  49  -6.479  19.175  -6.104
  420   1HB   TYR  49          1HB       TYR  49  -5.718  17.798  -8.068
  421   2HB   TYR  49          2HB       TYR  49  -5.759  16.359  -7.014
  422    HD1  TYR  49           HD1      TYR  49  -7.587  15.097  -7.520
  423    HD2  TYR  49           HD2      TYR  49  -8.011  19.319  -7.721
  424    HE1  TYR  49           HE1      TYR  49  -9.905  14.828  -8.221
  425    HE2  TYR  49           HE2      TYR  49 -10.350  19.050  -8.399
  426    HH   TYR  49           HH       TYR  49 -11.595  15.981  -9.346
  427    H    LEU  50           H        LEU  50  -8.251  18.562  -4.951
  428    HA   LEU  50           HA       LEU  50  -7.587  17.312  -2.421
  429   1HB   LEU  50          1HB       LEU  50  -8.710  19.518  -2.515
  430   2HB   LEU  50          2HB       LEU  50 -10.096  18.778  -3.339
  431    HG   LEU  50           HG       LEU  50 -10.473  17.322  -1.301
  432   1HD1  LEU  50          1HD1      LEU  50  -8.227  19.040  -0.062
  433   2HD1  LEU  50          2HD1      LEU  50  -9.345  17.951   0.852
  434   3HD1  LEU  50          3HD1      LEU  50  -8.186  17.254  -0.328
  435   1HD2  LEU  50          1HD2      LEU  50 -11.703  19.472  -1.627
  436   2HD2  LEU  50          2HD2      LEU  50 -11.396  19.145   0.118
  437   3HD2  LEU  50          3HD2      LEU  50 -10.393  20.355  -0.764
  438    H    ARG  51           H        ARG  51 -10.651  17.011  -4.301
  439    HA   ARG  51           HA       ARG  51 -11.108  14.657  -2.844
  440   1HB   ARG  51          1HB       ARG  51 -12.693  16.047  -5.049
  441   2HB   ARG  51          2HB       ARG  51 -13.298  14.684  -4.062
  442   1HG   ARG  51          1HG       ARG  51 -12.935  15.982  -1.986
  443   2HG   ARG  51          2HG       ARG  51 -12.451  17.424  -2.922
  444   1HD   ARG  51          1HD       ARG  51 -15.182  16.019  -3.296
  445   2HD   ARG  51          2HD       ARG  51 -14.871  17.325  -2.083
  446    HE   ARG  51           HE       ARG  51 -13.980  18.091  -4.811
  447   1HH1  ARG  51          1HH1      ARG  51 -14.983  19.780  -5.802
  448   2HH1  ARG  51          2HH1      ARG  51 -16.485  20.420  -5.208
  449   1HH2  ARG  51          1HH2      ARG  51 -16.857  17.948  -2.710
  450   2HH2  ARG  51          2HH2      ARG  51 -17.433  19.496  -3.235
  451    H    SER  52           H        SER  52 -10.172  12.791  -3.280
  452    HA   SER  52           HA       SER  52 -10.599  11.693  -5.975
  453   1HB   SER  52          1HB       SER  52  -8.171  12.008  -5.317
  454   2HB   SER  52          2HB       SER  52  -8.416  10.818  -4.012
  455    HG   SER  52           HG       SER  52  -7.655   9.828  -5.868
  456    H    VAL  53           H        VAL  53 -10.009  10.488  -2.639
  457    HA   VAL  53           HA       VAL  53 -12.590   9.133  -2.744
  458    HB   VAL  53           HB       VAL  53 -10.023   7.873  -1.721
  459   1HG1  VAL  53          1HG1      VAL  53 -12.977   6.927  -1.786
  460   2HG1  VAL  53          2HG1      VAL  53 -11.570   5.888  -1.371
  461   3HG1  VAL  53          3HG1      VAL  53 -12.009   7.258  -0.300
  462   1HG2  VAL  53          1HG2      VAL  53 -11.824   7.203  -4.132
  463   2HG2  VAL  53          2HG2      VAL  53 -10.112   7.784  -4.193
  464   3HG2  VAL  53          3HG2      VAL  53 -10.495   6.172  -3.504
  465    H    GLY  54           H        GLY  54  -9.912   9.390  -0.371
  466   1HA   GLY  54          1HA       GLY  54 -11.872  10.149   1.630
  467   2HA   GLY  54          2HA       GLY  54 -10.433  11.211   1.320
  468    H    ASP  55           H        ASP  55 -11.227   9.391   3.727
  469    HA   ASP  55           HA       ASP  55  -8.690   8.101   4.001
  470   1HB   ASP  55          1HB       ASP  55  -9.470   7.684   6.308
  471   2HB   ASP  55          2HB       ASP  55  -9.641   9.406   5.842
  472    H    GLY  56           H        GLY  56  -8.359   5.825   4.371
  473   1HA   GLY  56          1HA       GLY  56 -10.443   3.998   4.172
  474   2HA   GLY  56          2HA       GLY  56  -8.681   3.708   4.019
  475    H    GLU  57           H        GLU  57  -8.076   5.098   1.679
  476    HA   GLU  57           HA       GLU  57  -9.872   4.287  -0.356
  477   1HB   GLU  57          1HB       GLU  57  -8.377   5.284  -1.894
  478   2HB   GLU  57          2HB       GLU  57  -8.387   6.290  -0.423
  479   1HG   GLU  57          1HG       GLU  57  -6.239   4.912   0.287
  480   2HG   GLU  57          2HG       GLU  57  -6.186   4.383  -1.426
  481    H    THR  58           H        THR  58  -9.524   2.848  -2.067
  482    HA   THR  58           HA       THR  58  -8.103   0.456  -1.182
  483    HB   THR  58           HB       THR  58  -9.717   0.455  -3.694
  484    HG1  THR  58           HG1      THR  58 -11.085   1.383  -2.185
  485   1HG2  THR  58          1HG2      THR  58  -8.360  -1.558  -2.899
  486   2HG2  THR  58          2HG2      THR  58  -9.336  -1.562  -1.385
  487   3HG2  THR  58          3HG2      THR  58 -10.121  -1.874  -2.973
  488    H    VAL  59           H        VAL  59  -6.567  -0.509  -2.345
  489    HA   VAL  59           HA       VAL  59  -5.462   0.758  -4.717
  490    HB   VAL  59           HB       VAL  59  -3.898   0.355  -2.127
  491   1HG1  VAL  59          1HG1      VAL  59  -3.063   1.343  -4.934
  492   2HG1  VAL  59          2HG1      VAL  59  -2.089   1.612  -3.447
  493   3HG1  VAL  59          3HG1      VAL  59  -2.392  -0.059  -4.019
  494   1HG2  VAL  59          1HG2      VAL  59  -4.814   2.924  -3.585
  495   2HG2  VAL  59          2HG2      VAL  59  -5.277   2.387  -1.923
  496   3HG2  VAL  59          3HG2      VAL  59  -3.590   2.880  -2.261
  497    H    GLU  60           H        GLU  60  -4.053  -0.802  -5.879
  498    HA   GLU  60           HA       GLU  60  -4.293  -3.536  -4.857
  499   1HB   GLU  60          1HB       GLU  60  -3.178  -2.623  -7.541
  500   2HB   GLU  60          2HB       GLU  60  -3.638  -4.284  -7.075
  501   1HG   GLU  60          1HG       GLU  60  -5.883  -3.969  -7.575
  502   2HG   GLU  60          2HG       GLU  60  -5.880  -2.246  -7.046
  503    H    PHE  61           H        PHE  61  -2.603  -4.764  -4.413
  504    HA   PHE  61           HA       PHE  61   0.087  -3.846  -4.973
  505   1HB   PHE  61          1HB       PHE  61   0.668  -4.032  -2.439
  506   2HB   PHE  61          2HB       PHE  61  -0.259  -2.576  -2.936
  507    HD1  PHE  61           HD1      PHE  61  -0.468  -5.809  -1.221
  508    HD2  PHE  61           HD2      PHE  61  -2.550  -2.301  -2.374
  509    HE1  PHE  61           HE1      PHE  61  -2.302  -6.371   0.339
  510    HE2  PHE  61           HE2      PHE  61  -4.389  -2.877  -0.896
  511    HZ   PHE  61           HZ       PHE  61  -4.267  -4.901   0.503
  512    H    ASP  62           H        ASP  62   1.718  -5.488  -4.447
  513    HA   ASP  62           HA       ASP  62   0.590  -8.173  -4.218
  514   1HB   ASP  62          1HB       ASP  62   3.482  -7.162  -4.446
  515   2HB   ASP  62          2HB       ASP  62   2.966  -8.885  -4.532
  516    H    VAL  63           H        VAL  63   0.933  -9.466  -2.309
  517    HA   VAL  63           HA       VAL  63   1.750  -7.922   0.074
  518    HB   VAL  63           HB       VAL  63   0.210 -10.540  -0.172
  519   1HG1  VAL  63          1HG1      VAL  63   1.688 -10.425   1.922
  520   2HG1  VAL  63          2HG1      VAL  63   0.931  -8.847   2.336
  521   3HG1  VAL  63          3HG1      VAL  63  -0.054 -10.354   2.312
  522   1HG2  VAL  63          1HG2      VAL  63  -1.135  -8.466  -0.766
  523   2HG2  VAL  63          2HG2      VAL  63  -1.695  -9.318   0.728
  524   3HG2  VAL  63          3HG2      VAL  63  -0.719  -7.798   0.863
  525    H    VAL  64           H        VAL  64   4.071  -8.196   0.114
  526    HA   VAL  64           HA       VAL  64   4.878 -10.941  -0.527
  527    HB   VAL  64           HB       VAL  64   6.885  -9.693  -1.586
  528   1HG1  VAL  64          1HG1      VAL  64   4.083 -10.047  -2.869
  529   2HG1  VAL  64          2HG1      VAL  64   5.628  -9.936  -3.770
  530   3HG1  VAL  64          3HG1      VAL  64   5.321 -11.342  -2.707
  531   1HG2  VAL  64          1HG2      VAL  64   5.946  -7.363  -1.005
  532   2HG2  VAL  64          2HG2      VAL  64   6.193  -7.662  -2.775
  533   3HG2  VAL  64          3HG2      VAL  64   4.546  -7.722  -2.097
  534    H    GLU  65           H        GLU  65   6.629 -11.794   0.415
  535    HA   GLU  65           HA       GLU  65   6.638 -11.298   3.087
  536   1HB   GLU  65          1HB       GLU  65   7.216 -13.498   2.136
  537   2HB   GLU  65          2HB       GLU  65   8.817 -12.833   1.690
  538   1HG   GLU  65          1HG       GLU  65   8.991 -12.256   4.306
  539   2HG   GLU  65          2HG       GLU  65   7.618 -13.378   4.481
  540    H    GLY  66           H        GLY  66   7.222  -9.885   4.051
  541   1HA   GLY  66          1HA       GLY  66   8.192  -7.894   4.781
  542   2HA   GLY  66          2HA       GLY  66   9.449  -8.060   3.510
  543    H    GLU  67           H        GLU  67   9.156  -7.724   6.687
  544    HA   GLU  67           HA       GLU  67  11.582  -9.272   7.206
  545   1HB   GLU  67          1HB       GLU  67  10.327  -6.897   8.716
  546   2HB   GLU  67          2HB       GLU  67  11.896  -7.689   9.062
  547   1HG   GLU  67          1HG       GLU  67  12.620  -6.992   6.663
  548   2HG   GLU  67          2HG       GLU  67  11.106  -6.037   6.567
  549    H    LYS  68           H        LYS  68   8.846  -8.123   9.210
  550    HA   LYS  68           HA       LYS  68   8.901 -10.584  10.704
  551   1HB   LYS  68          1HB       LYS  68   7.181  -9.510  12.089
  552   2HB   LYS  68          2HB       LYS  68   8.631  -8.497  11.896
  553   1HG   LYS  68          1HG       LYS  68   7.483  -7.118  10.158
  554   2HG   LYS  68          2HG       LYS  68   6.001  -8.099  10.336
  555   1HD   LYS  68          1HD       LYS  68   7.387  -6.381  12.494
  556   2HD   LYS  68          2HD       LYS  68   5.956  -5.903  11.549
  557   1HE   LYS  68          1HE       LYS  68   6.089  -8.194  13.637
  558   2HE   LYS  68          2HE       LYS  68   5.289  -6.574  13.807
  559   1HZ   LYS  68          1HZ       LYS  68   3.922  -7.244  11.799
  560   2HZ   LYS  68          2HZ       LYS  68   4.482  -8.798  11.981
  561   3HZ   LYS  68          3HZ       LYS  68   3.623  -8.099  13.228
  562    H    GLY  69           H        GLY  69   7.176  -9.316   7.982
  563   1HA   GLY  69          1HA       GLY  69   4.628  -9.952   8.389
  564   2HA   GLY  69          2HA       GLY  69   5.357 -11.528   7.909
  565    H    ALA  70           H        ALA  70   4.567  -8.228   6.823
  566    HA   ALA  70           HA       ALA  70   5.325  -9.023   4.116
  567   1HB   ALA  70          1HB       ALA  70   3.047  -9.964   4.465
  568   2HB   ALA  70          2HB       ALA  70   2.467  -8.327   4.937
  569   3HB   ALA  70          3HB       ALA  70   3.047  -8.630   3.246
  570    H    GLU  71           H        GLU  71   5.508  -7.575   2.577
  571    HA   GLU  71           HA       GLU  71   5.014  -4.777   3.204
  572   1HB   GLU  71          1HB       GLU  71   6.944  -4.116   1.965
  573   2HB   GLU  71          2HB       GLU  71   7.397  -5.244   3.304
  574   1HG   GLU  71          1HG       GLU  71   7.745  -7.093   1.689
  575   2HG   GLU  71          2HG       GLU  71   7.265  -6.019   0.334
  576    H    ALA  72           H        ALA  72   5.530  -3.809   0.600
  577    HA   ALA  72           HA       ALA  72   3.477  -5.194  -0.982
  578   1HB   ALA  72          1HB       ALA  72   3.437  -2.269  -0.055
  579   2HB   ALA  72          2HB       ALA  72   2.276  -3.592   0.404
  580   3HB   ALA  72          3HB       ALA  72   2.328  -2.999  -1.281
  581    H    ALA  73           H        ALA  73   3.746  -5.077  -3.103
  582    HA   ALA  73           HA       ALA  73   5.741  -3.267  -4.232
  583   1HB   ALA  73          1HB       ALA  73   6.871  -5.483  -3.813
  584   2HB   ALA  73          2HB       ALA  73   5.552  -6.305  -4.719
  585   3HB   ALA  73          3HB       ALA  73   6.669  -5.188  -5.576
  586    H    ASN  74           H        ASN  74   5.512  -3.175  -6.586
  587    HA   ASN  74           HA       ASN  74   4.254  -2.434  -8.246
  588   1HB   ASN  74          1HB       ASN  74   2.919  -5.161  -7.813
  589   2HB   ASN  74          2HB       ASN  74   2.751  -4.169  -9.308
  590   1HD2  ASN  74          2HD2      ASN  74   4.656  -6.538  -7.721
  591   2HD2  ASN  74          1HD2      ASN  74   6.023  -6.475  -8.823
  592    H    VAL  75           H        VAL  75   3.454  -0.908  -6.337
  593    HA   VAL  75           HA       VAL  75   0.689  -1.373  -5.721
  594    HB   VAL  75           HB       VAL  75   2.555   0.769  -4.726
  595   1HG1  VAL  75          1HG1      VAL  75  -0.087  -0.457  -3.666
  596   2HG1  VAL  75          2HG1      VAL  75   0.938   0.719  -2.764
  597   3HG1  VAL  75          3HG1      VAL  75   0.124   1.226  -4.290
  598   1HG2  VAL  75          1HG2      VAL  75   2.023  -2.090  -3.695
  599   2HG2  VAL  75          2HG2      VAL  75   3.603  -1.394  -4.219
  600   3HG2  VAL  75          3HG2      VAL  75   2.815  -0.791  -2.731
  601    H    THR  76           H        THR  76  -1.022  -0.313  -6.471
  602    HA   THR  76           HA       THR  76  -0.525   1.694  -8.498
  603    HB   THR  76           HB       THR  76  -2.719   1.279  -9.324
  604    HG1  THR  76           HG1      THR  76  -3.857  -0.494  -8.386
  605   1HG2  THR  76          1HG2      THR  76  -0.782  -0.168 -10.002
  606   2HG2  THR  76          2HG2      THR  76  -1.231  -1.340  -8.695
  607   3HG2  THR  76          3HG2      THR  76  -2.366  -1.023 -10.062
  608    H    GLY  77           H        GLY  77  -3.578   2.218  -7.923
  609   1HA   GLY  77          1HA       GLY  77  -3.273   4.799  -6.896
  610   2HA   GLY  77          2HA       GLY  77  -3.870   3.637  -5.635
  611    HA   PRO  78           HA       PRO  78  -7.772   3.915  -7.443
  612   1HB   PRO  78          1HB       PRO  78  -7.980   6.877  -6.684
  613   2HB   PRO  78          2HB       PRO  78  -9.172   5.553  -6.380
  614   1HG   PRO  78          1HG       PRO  78  -7.515   6.386  -4.352
  615   2HG   PRO  78          2HG       PRO  78  -7.733   4.603  -4.630
  616   1HD   PRO  78          1HD       PRO  78  -5.463   6.414  -5.655
  617   2HD   PRO  78          2HD       PRO  78  -5.365   4.811  -4.795
  618    H    GLY  79           H        GLY  79  -5.466   5.816  -9.049
  619   1HA   GLY  79          1HA       GLY  79  -7.238   7.372 -10.623
  620   2HA   GLY  79          2HA       GLY  79  -6.714   5.853 -11.444

  No H/Q in entry =         620
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   6.792 -22.834   5.516
    2    H2   MET   1           H2       MET   1   5.205 -22.920   5.011
    3    H3   MET   1           H3       MET   1   5.943 -24.303   5.602
    4    HA   MET   1           HA       MET   1   7.426 -24.391   3.761
    5   1HB   MET   1          1HB       MET   1   5.166 -25.443   3.590
    6   2HB   MET   1          2HB       MET   1   4.523 -23.951   2.861
    7   1HG   MET   1          1HG       MET   1   6.088 -24.278   0.895
    8   2HG   MET   1          2HG       MET   1   6.768 -25.710   1.710
    9   1HE   MET   1          1HE       MET   1   4.065 -24.061  -0.360
   10   2HE   MET   1          2HE       MET   1   2.651 -25.164  -0.323
   11   3HE   MET   1          3HE       MET   1   3.089 -24.240   1.142
   12    H    LYS   2           H        LYS   2   5.239 -21.558   3.214
   13    HA   LYS   2           HA       LYS   2   7.263 -20.442   1.440
   14   1HB   LYS   2          1HB       LYS   2   5.358 -21.484   0.229
   15   2HB   LYS   2          2HB       LYS   2   4.207 -20.517   1.183
   16   1HG   LYS   2          1HG       LYS   2   4.920 -18.456   0.084
   17   2HG   LYS   2          2HG       LYS   2   6.357 -19.272  -0.630
   18   1HD   LYS   2          1HD       LYS   2   4.984 -20.686  -2.041
   19   2HD   LYS   2          2HD       LYS   2   3.478 -20.135  -1.282
   20   1HE   LYS   2          1HE       LYS   2   5.342 -18.166  -2.787
   21   2HE   LYS   2          2HE       LYS   2   4.119 -19.197  -3.629
   22   1HZ   LYS   2          1HZ       LYS   2   2.432 -18.286  -2.134
   23   2HZ   LYS   2          2HZ       LYS   2   3.514 -17.152  -1.532
   24   3HZ   LYS   2          3HZ       LYS   2   3.062 -17.199  -3.185
   25    H    LYS   3           H        LYS   3   7.390 -18.130   1.482
   26    HA   LYS   3           HA       LYS   3   6.445 -17.014   4.008
   27   1HB   LYS   3          1HB       LYS   3   8.631 -16.078   2.075
   28   2HB   LYS   3          2HB       LYS   3   7.996 -15.129   3.446
   29   1HG   LYS   3          1HG       LYS   3   8.566 -17.139   4.956
   30   2HG   LYS   3          2HG       LYS   3   9.610 -17.705   3.612
   31   1HD   LYS   3          1HD       LYS   3  10.773 -15.461   3.614
   32   2HD   LYS   3          2HD       LYS   3   9.625 -14.891   4.866
   33   1HE   LYS   3          1HE       LYS   3  10.547 -16.699   6.440
   34   2HE   LYS   3          2HE       LYS   3  11.849 -17.008   5.215
   35   1HZ   LYS   3          1HZ       LYS   3  12.383 -14.624   5.359
   36   2HZ   LYS   3          2HZ       LYS   3  11.205 -14.427   6.566
   37   3HZ   LYS   3          3HZ       LYS   3  12.568 -15.386   6.853
   38    H    VAL   4           H        VAL   4   6.760 -15.999   0.545
   39    HA   VAL   4           HA       VAL   4   5.151 -13.747   1.081
   40    HB   VAL   4           HB       VAL   4   5.354 -13.207  -1.243
   41   1HG1  VAL   4          1HG1      VAL   4   7.384 -12.801   0.246
   42   2HG1  VAL   4          2HG1      VAL   4   8.015 -14.424  -0.201
   43   3HG1  VAL   4          3HG1      VAL   4   7.826 -13.156  -1.447
   44   1HG2  VAL   4          1HG2      VAL   4   6.504 -16.051  -1.595
   45   2HG2  VAL   4          2HG2      VAL   4   4.981 -15.397  -2.319
   46   3HG2  VAL   4          3HG2      VAL   4   6.579 -14.730  -2.809
   47    H    ILE   5           H        ILE   5   2.919 -13.162   0.160
   48    HA   ILE   5           HA       ILE   5   1.402 -15.625   0.040
   49    HB   ILE   5           HB       ILE   5   0.544 -12.763   0.387
   50   1HG1  ILE   5          1HG1      ILE   5  -0.155 -13.564   2.626
   51   2HG1  ILE   5          2HG1      ILE   5   0.725 -15.095   2.390
   52   1HG2  ILE   5          1HG2      ILE   5  -0.976 -15.459   0.491
   53   2HG2  ILE   5          2HG2      ILE   5  -1.656 -13.860   0.933
   54   3HG2  ILE   5          3HG2      ILE   5  -1.203 -14.189  -0.767
   55   1HD1  ILE   5          1HD1      ILE   5   2.278 -12.479   2.064
   56   2HD1  ILE   5          2HD1      ILE   5   1.778 -12.963   3.721
   57   3HD1  ILE   5          3HD1      ILE   5   2.823 -14.056   2.731
   58    H    ALA   6           H        ALA   6   1.263 -12.479  -1.640
   59    HA   ALA   6           HA       ALA   6   0.973 -13.875  -4.197
   60   1HB   ALA   6          1HB       ALA   6  -1.429 -13.097  -4.503
   61   2HB   ALA   6          2HB       ALA   6  -1.261 -14.212  -3.112
   62   3HB   ALA   6          3HB       ALA   6  -1.386 -12.456  -2.808
   63    H    THR   7           H        THR   7   0.379 -12.540  -5.995
   64    HA   THR   7           HA       THR   7   1.061  -9.726  -5.725
   65    HB   THR   7           HB       THR   7   1.304  -9.705  -8.133
   66    HG1  THR   7           HG1      THR   7   1.048 -11.518  -9.313
   67   1HG2  THR   7          1HG2      THR   7   3.265 -10.332  -6.701
   68   2HG2  THR   7          2HG2      THR   7   2.829 -12.071  -6.840
   69   3HG2  THR   7          3HG2      THR   7   3.307 -11.147  -8.317
   70    H    LYS   8           H        LYS   8  -0.193  -8.183  -6.848
   71    HA   LYS   8           HA       LYS   8  -2.045  -7.108  -7.203
   72   1HB   LYS   8          1HB       LYS   8  -2.743  -9.550  -8.872
   73   2HB   LYS   8          2HB       LYS   8  -3.532  -7.943  -8.981
   74   1HG   LYS   8          1HG       LYS   8  -1.242  -6.943  -9.537
   75   2HG   LYS   8          2HG       LYS   8  -0.575  -8.606  -9.543
   76   1HD   LYS   8          1HD       LYS   8  -1.000  -7.962 -11.807
   77   2HD   LYS   8          2HD       LYS   8  -2.186  -9.233 -11.383
   78   1HE   LYS   8          1HE       LYS   8  -3.980  -7.489 -11.135
   79   2HE   LYS   8          2HE       LYS   8  -2.750  -6.185 -11.385
   80   1HZ   LYS   8          1HZ       LYS   8  -2.336  -7.167 -13.612
   81   2HZ   LYS   8          2HZ       LYS   8  -3.589  -8.256 -13.356
   82   3HZ   LYS   8          3HZ       LYS   8  -3.933  -6.626 -13.420
   83    H    VAL   9           H        VAL   9  -2.361  -7.544  -4.854
   84    HA   VAL   9           HA       VAL   9  -4.876  -8.881  -4.260
   85    HB   VAL   9           HB       VAL   9  -2.752  -7.826  -2.372
   86   1HG1  VAL   9          1HG1      VAL   9  -5.028  -8.375  -1.400
   87   2HG1  VAL   9          2HG1      VAL   9  -4.938 -10.024  -2.129
   88   3HG1  VAL   9          3HG1      VAL   9  -3.781  -9.538  -0.832
   89   1HG2  VAL   9          1HG2      VAL   9  -2.895 -10.569  -3.785
   90   2HG2  VAL   9          2HG2      VAL   9  -1.526  -9.391  -3.776
   91   3HG2  VAL   9          3HG2      VAL   9  -1.952 -10.263  -2.274
   92    H    LEU  10           H        LEU  10  -6.528  -7.640  -3.165
   93    HA   LEU  10           HA       LEU  10  -6.121  -4.733  -3.336
   94   1HB   LEU  10          1HB       LEU  10  -8.515  -6.568  -3.556
   95   2HB   LEU  10          2HB       LEU  10  -8.757  -4.881  -3.053
   96    HG   LEU  10           HG       LEU  10  -9.205  -5.225  -5.417
   97   1HD1  LEU  10          1HD1      LEU  10  -8.493  -2.980  -4.562
   98   2HD1  LEU  10          2HD1      LEU  10  -6.779  -3.393  -4.938
   99   3HD1  LEU  10          3HD1      LEU  10  -7.973  -3.249  -6.274
  100   1HD2  LEU  10          1HD2      LEU  10  -7.473  -6.986  -5.946
  101   2HD2  LEU  10          2HD2      LEU  10  -7.453  -5.592  -7.099
  102   3HD2  LEU  10          3HD2      LEU  10  -6.193  -5.720  -5.831
  103    H    GLY  11           H        GLY  11  -6.724  -3.387  -1.575
  104   1HA   GLY  11          1HA       GLY  11  -6.079  -4.215   0.912
  105   2HA   GLY  11          2HA       GLY  11  -7.857  -4.511   0.763
  106    H    THR  12           H        THR  12  -7.208  -2.802   2.677
  107    HA   THR  12           HA       THR  12  -8.229  -0.290   1.517
  108    HB   THR  12           HB       THR  12  -9.018  -1.801   4.018
  109    HG1  THR  12           HG1      THR  12 -10.178  -2.317   2.182
  110   1HG2  THR  12          1HG2      THR  12  -9.719   1.090   3.179
  111   2HG2  THR  12          2HG2      THR  12 -10.576   0.139   4.445
  112   3HG2  THR  12          3HG2      THR  12  -8.874   0.603   4.707
  113    H    VAL  13           H        VAL  13  -7.313   1.602   2.052
  114    HA   VAL  13           HA       VAL  13  -5.373   1.563   4.250
  115    HB   VAL  13           HB       VAL  13  -4.468   1.920   1.988
  116   1HG1  VAL  13          1HG1      VAL  13  -6.353   3.270   1.020
  117   2HG1  VAL  13          2HG1      VAL  13  -5.952   4.619   2.143
  118   3HG1  VAL  13          3HG1      VAL  13  -4.758   4.101   0.906
  119   1HG2  VAL  13          1HG2      VAL  13  -3.281   2.620   4.059
  120   2HG2  VAL  13          2HG2      VAL  13  -2.983   3.741   2.693
  121   3HG2  VAL  13          3HG2      VAL  13  -4.106   4.233   4.002
  122    H    LYS  14           H        LYS  14  -5.478   3.063   5.854
  123    HA   LYS  14           HA       LYS  14  -7.833   4.818   5.846
  124   1HB   LYS  14          1HB       LYS  14  -7.692   3.240   7.715
  125   2HB   LYS  14          2HB       LYS  14  -6.082   3.854   8.151
  126   1HG   LYS  14          1HG       LYS  14  -7.101   6.129   8.573
  127   2HG   LYS  14          2HG       LYS  14  -8.715   5.493   8.190
  128   1HD   LYS  14          1HD       LYS  14  -6.946   4.174  10.329
  129   2HD   LYS  14          2HD       LYS  14  -7.742   5.718  10.695
  130   1HE   LYS  14          1HE       LYS  14  -9.255   3.169   9.816
  131   2HE   LYS  14          2HE       LYS  14  -9.035   3.738  11.522
  132   1HZ   LYS  14          1HZ       LYS  14 -10.029   5.927  10.555
  133   2HZ   LYS  14          2HZ       LYS  14 -10.681   4.921   9.372
  134   3HZ   LYS  14          3HZ       LYS  14 -11.016   4.640  11.005
  135    H    TRP  15           H        TRP  15  -4.806   5.248   7.617
  136    HA   TRP  15           HA       TRP  15  -4.477   7.853   6.278
  137   1HB   TRP  15          1HB       TRP  15  -3.595   6.932   9.064
  138   2HB   TRP  15          2HB       TRP  15  -3.229   8.515   8.338
  139    HD1  TRP  15           HD1      TRP  15  -6.491   8.936   7.372
  140    HE1  TRP  15           HE1      TRP  15  -7.970   9.855   9.265
  141    HE3  TRP  15           HE3      TRP  15  -3.613   7.605  11.336
  142    HZ2  TRP  15           HZ2      TRP  15  -7.960   9.881  12.076
  143    HZ3  TRP  15           HZ3      TRP  15  -4.383   8.148  13.588
  144    HH2  TRP  15           HH2      TRP  15  -6.516   9.263  13.964
  145    H    PHE  16           H        PHE  16  -2.621   8.128   5.090
  146    HA   PHE  16           HA       PHE  16  -0.286   6.740   6.018
  147   1HB   PHE  16          1HB       PHE  16   0.431   5.774   3.996
  148   2HB   PHE  16          2HB       PHE  16  -1.229   5.194   4.280
  149    HD1  PHE  16           HD1      PHE  16  -3.117   6.298   3.013
  150    HD2  PHE  16           HD2      PHE  16   0.974   6.899   2.049
  151    HE1  PHE  16           HE1      PHE  16  -3.760   7.001   0.757
  152    HE2  PHE  16           HE2      PHE  16   0.340   7.592  -0.217
  153    HZ   PHE  16           HZ       PHE  16  -2.031   7.637  -0.867
  154    H    ASN  17           H        ASN  17   1.738   7.657   5.244
  155    HA   ASN  17           HA       ASN  17   1.395  10.517   5.075
  156   1HB   ASN  17          1HB       ASN  17   2.952   9.555   6.726
  157   2HB   ASN  17          2HB       ASN  17   3.851   8.734   5.403
  158   1HD2  ASN  17          2HD2      ASN  17   5.620   9.795   4.753
  159   2HD2  ASN  17          1HD2      ASN  17   5.973  11.465   5.056
  160    H    VAL  18           H        VAL  18   0.914  11.217   3.057
  161    HA   VAL  18           HA       VAL  18   1.823   9.977   0.728
  162    HB   VAL  18           HB       VAL  18   0.555  12.704   1.227
  163   1HG1  VAL  18          1HG1      VAL  18   0.923  11.080  -1.382
  164   2HG1  VAL  18          2HG1      VAL  18  -0.181  12.495  -1.191
  165   3HG1  VAL  18          3HG1      VAL  18   1.582  12.713  -1.037
  166   1HG2  VAL  18          1HG2      VAL  18  -0.819  10.711   2.008
  167   2HG2  VAL  18          2HG2      VAL  18  -1.542  11.560   0.601
  168   3HG2  VAL  18          3HG2      VAL  18  -0.666  10.005   0.376
  169    H    ARG  19           H        ARG  19   3.092  12.798   2.434
  170    HA   ARG  19           HA       ARG  19   4.573  13.856   0.412
  171   1HB   ARG  19          1HB       ARG  19   4.051  14.936   2.551
  172   2HB   ARG  19          2HB       ARG  19   5.139  13.846   3.416
  173   1HG   ARG  19          1HG       ARG  19   6.208  16.015   3.099
  174   2HG   ARG  19          2HG       ARG  19   7.090  14.755   2.183
  175   1HD   ARG  19          1HD       ARG  19   6.000  15.631   0.039
  176   2HD   ARG  19          2HD       ARG  19   5.100  16.838   1.050
  177    HE   ARG  19           HE       ARG  19   8.125  16.692   1.216
  178   1HH1  ARG  19          1HH1      ARG  19   9.169  18.633   1.263
  179   2HH1  ARG  19          2HH1      ARG  19   8.404  20.091   0.773
  180   1HH2  ARG  19          1HH2      ARG  19   5.244  18.678   0.249
  181   2HH2  ARG  19          2HH2      ARG  19   6.257  20.045  -0.055
  182    H    ASN  20           H        ASN  20   5.795  11.452   2.812
  183    HA   ASN  20           HA       ASN  20   8.155  11.050   1.176
  184   1HB   ASN  20          1HB       ASN  20   8.131  10.891   3.727
  185   2HB   ASN  20          2HB       ASN  20   7.192   9.376   3.554
  186   1HD2  ASN  20          2HD2      ASN  20  10.228  10.953   2.282
  187   2HD2  ASN  20          1HD2      ASN  20  11.167   9.482   2.383
  188    H    GLY  21           H        GLY  21   5.010   9.445   1.814
  189   1HA   GLY  21          1HA       GLY  21   5.533   7.646  -0.424
  190   2HA   GLY  21          2HA       GLY  21   3.990   7.965   0.432
  191    H    TYR  22           H        TYR  22   4.289   7.486   2.936
  192    HA   TYR  22           HA       TYR  22   5.493   4.841   3.183
  193   1HB   TYR  22          1HB       TYR  22   6.974   6.949   3.957
  194   2HB   TYR  22          2HB       TYR  22   5.921   6.908   5.405
  195    HD1  TYR  22           HD1      TYR  22   6.308   5.175   7.048
  196    HD2  TYR  22           HD2      TYR  22   8.238   5.021   3.272
  197    HE1  TYR  22           HE1      TYR  22   7.841   3.464   7.901
  198    HE2  TYR  22           HE2      TYR  22   9.785   3.316   4.123
  199    HH   TYR  22           HH       TYR  22  10.377   2.030   5.843
  200    H    GLY  23           H        GLY  23   4.641   3.561   4.879
  201   1HA   GLY  23          1HA       GLY  23   1.931   4.364   5.626
  202   2HA   GLY  23          2HA       GLY  23   3.129   3.879   6.882
  203    H    PHE  24           H        PHE  24   0.619   2.622   6.414
  204    HA   PHE  24           HA       PHE  24   1.281   0.198   5.009
  205   1HB   PHE  24          1HB       PHE  24   0.519  -1.169   7.142
  206   2HB   PHE  24          2HB       PHE  24   2.181  -0.490   7.061
  207    HD1  PHE  24           HD1      PHE  24   2.924   1.000   8.626
  208    HD2  PHE  24           HD2      PHE  24  -1.236   0.182   8.404
  209    HE1  PHE  24           HE1      PHE  24   2.578   2.234  10.712
  210    HE2  PHE  24           HE2      PHE  24  -1.592   1.418  10.489
  211    HZ   PHE  24           HZ       PHE  24   0.305   2.488  11.626
  212    H    ILE  25           H        ILE  25  -0.294  -1.237   4.600
  213    HA   ILE  25           HA       ILE  25  -2.959  -0.022   4.449
  214    HB   ILE  25           HB       ILE  25  -2.200  -2.533   2.985
  215   1HG1  ILE  25          1HG1      ILE  25  -0.252  -1.037   2.474
  216   2HG1  ILE  25          2HG1      ILE  25  -1.316  -1.339   1.094
  217   1HG2  ILE  25          1HG2      ILE  25  -4.075  -0.170   2.452
  218   2HG2  ILE  25          2HG2      ILE  25  -3.625  -1.378   1.207
  219   3HG2  ILE  25          3HG2      ILE  25  -4.485  -1.909   2.697
  220   1HD1  ILE  25          1HD1      ILE  25  -1.417   1.262   2.761
  221   2HD1  ILE  25          2HD1      ILE  25  -0.573   1.057   1.188
  222   3HD1  ILE  25          3HD1      ILE  25  -2.355   0.894   1.273
  223    H    ASN  26           H        ASN  26  -4.829  -1.598   4.702
  224    HA   ASN  26           HA       ASN  26  -4.150  -3.764   6.548
  225   1HB   ASN  26          1HB       ASN  26  -5.823  -1.781   7.094
  226   2HB   ASN  26          2HB       ASN  26  -6.961  -2.655   6.020
  227   1HD2  ASN  26          2HD2      ASN  26  -4.616  -3.354   8.727
  228   2HD2  ASN  26          1HD2      ASN  26  -5.709  -4.316   9.650
  229    H    ARG  27           H        ARG  27  -3.503  -5.345   5.159
  230    HA   ARG  27           HA       ARG  27  -4.833  -6.302   2.972
  231   1HB   ARG  27          1HB       ARG  27  -2.653  -7.059   3.482
  232   2HB   ARG  27          2HB       ARG  27  -3.094  -7.462   5.172
  233   1HG   ARG  27          1HG       ARG  27  -4.398  -9.388   4.438
  234   2HG   ARG  27          2HG       ARG  27  -4.093  -8.964   2.707
  235   1HD   ARG  27          1HD       ARG  27  -1.664  -9.441   2.996
  236   2HD   ARG  27          2HD       ARG  27  -1.915  -9.752   4.760
  237    HE   ARG  27           HE       ARG  27  -3.575 -11.331   2.795
  238   1HH1  ARG  27          1HH1      ARG  27  -0.727 -11.462   4.986
  239   2HH1  ARG  27          2HH1      ARG  27  -0.856 -13.121   5.218
  240   1HH2  ARG  27          1HH2      ARG  27  -3.545 -13.621   2.991
  241   2HH2  ARG  27          2HH2      ARG  27  -2.520 -14.341   4.193
  242    H    ASN  28           H        ASN  28  -6.603  -7.303   2.563
  243    HA   ASN  28           HA       ASN  28  -8.629  -7.243   4.336
  244   1HB   ASN  28          1HB       ASN  28 -10.007  -8.340   2.584
  245   2HB   ASN  28          2HB       ASN  28  -9.008  -6.962   2.042
  246   1HD2  ASN  28          2HD2      ASN  28  -9.717  -7.928  -0.020
  247   2HD2  ASN  28          1HD2      ASN  28  -8.680  -9.095  -0.769
  248    H    ASP  29           H        ASP  29  -7.028 -10.314   3.464
  249    HA   ASP  29           HA       ASP  29  -9.051 -11.786   4.587
  250   1HB   ASP  29          1HB       ASP  29  -7.210 -12.456   2.905
  251   2HB   ASP  29          2HB       ASP  29  -6.193 -12.845   4.334
  252    H    THR  30           H        THR  30  -5.980 -10.793   6.323
  253    HA   THR  30           HA       THR  30  -7.220 -11.899   8.704
  254    HB   THR  30           HB       THR  30  -5.894 -13.687   7.611
  255    HG1  THR  30           HG1      THR  30  -4.715 -14.127   9.488
  256   1HG2  THR  30          1HG2      THR  30  -4.082 -12.185   6.647
  257   2HG2  THR  30          2HG2      THR  30  -3.463 -11.898   8.335
  258   3HG2  THR  30          3HG2      THR  30  -3.450 -13.541   7.607
  259    H    LYS  31           H        LYS  31  -6.743  -9.321   7.378
  260    HA   LYS  31           HA       LYS  31  -6.292  -7.279   7.956
  261   1HB   LYS  31          1HB       LYS  31  -6.677  -8.580  10.663
  262   2HB   LYS  31          2HB       LYS  31  -6.578  -6.798  10.400
  263   1HG   LYS  31          1HG       LYS  31  -8.826  -7.049  10.417
  264   2HG   LYS  31          2HG       LYS  31  -8.526  -7.191   8.654
  265   1HD   LYS  31          1HD       LYS  31  -8.631  -9.739   8.947
  266   2HD   LYS  31          2HD       LYS  31  -8.988  -9.487  10.675
  267   1HE   LYS  31          1HE       LYS  31 -10.734  -8.588   8.264
  268   2HE   LYS  31          2HE       LYS  31 -11.032  -9.993   9.360
  269   1HZ   LYS  31          1HZ       LYS  31 -11.050  -8.297  11.208
  270   2HZ   LYS  31          2HZ       LYS  31 -11.148  -7.111   9.990
  271   3HZ   LYS  31          3HZ       LYS  31 -12.358  -8.300  10.177
  272    H    GLU  32           H        GLU  32  -3.924  -8.217   7.058
  273    HA   GLU  32           HA       GLU  32  -2.026  -7.733   9.204
  274   1HB   GLU  32          1HB       GLU  32  -2.454  -9.381   6.807
  275   2HB   GLU  32          2HB       GLU  32  -0.786  -8.738   6.894
  276   1HG   GLU  32          1HG       GLU  32  -2.257 -10.136   9.231
  277   2HG   GLU  32          2HG       GLU  32  -1.273 -11.010   7.995
  278    H    ASP  33           H        ASP  33  -0.122  -6.717   8.844
  279    HA   ASP  33           HA       ASP  33  -0.676  -4.081   7.770
  280   1HB   ASP  33          1HB       ASP  33   1.682  -5.039   9.486
  281   2HB   ASP  33          2HB       ASP  33   1.269  -3.344   9.065
  282    H    VAL  34           H        VAL  34  -0.151  -3.514   5.806
  283    HA   VAL  34           HA       VAL  34   1.846  -5.067   4.300
  284    HB   VAL  34           HB       VAL  34  -0.372  -3.138   3.556
  285   1HG1  VAL  34          1HG1      VAL  34   1.552  -4.778   1.784
  286   2HG1  VAL  34          2HG1      VAL  34   0.014  -4.058   1.193
  287   3HG1  VAL  34          3HG1      VAL  34   1.322  -3.000   1.793
  288   1HG2  VAL  34          1HG2      VAL  34  -1.264  -5.280   4.445
  289   2HG2  VAL  34          2HG2      VAL  34  -1.551  -5.139   2.681
  290   3HG2  VAL  34          3HG2      VAL  34  -0.241  -6.213   3.293
  291    H    PHE  35           H        PHE  35   3.904  -4.080   4.622
  292    HA   PHE  35           HA       PHE  35   3.919  -1.248   5.006
  293   1HB   PHE  35          1HB       PHE  35   6.192  -3.269   4.798
  294   2HB   PHE  35          2HB       PHE  35   6.382  -1.561   5.323
  295    HD1  PHE  35           HD1      PHE  35   5.943  -4.813   6.502
  296    HD2  PHE  35           HD2      PHE  35   4.663  -0.819   7.177
  297    HE1  PHE  35           HE1      PHE  35   5.344  -5.394   8.806
  298    HE2  PHE  35           HE2      PHE  35   4.044  -1.395   9.471
  299    HZ   PHE  35           HZ       PHE  35   4.390  -3.685  10.293
  300    H    VAL  36           H        VAL  36   4.369   0.345   3.694
  301    HA   VAL  36           HA       VAL  36   5.229  -0.288   0.961
  302    HB   VAL  36           HB       VAL  36   3.179   1.708   2.009
  303   1HG1  VAL  36          1HG1      VAL  36   4.112   1.176  -0.898
  304   2HG1  VAL  36          2HG1      VAL  36   2.702   2.193  -0.396
  305   3HG1  VAL  36          3HG1      VAL  36   4.366   2.697   0.034
  306   1HG2  VAL  36          1HG2      VAL  36   2.302  -0.645   1.931
  307   2HG2  VAL  36          2HG2      VAL  36   1.550   0.389   0.671
  308   3HG2  VAL  36          3HG2      VAL  36   2.839  -0.774   0.209
  309    H    HIS  37           H        HIS  37   6.847   1.003   0.168
  310    HA   HIS  37           HA       HIS  37   7.366   3.531   1.521
  311   1HB   HIS  37          1HB       HIS  37   9.721   2.311   0.164
  312   2HB   HIS  37          2HB       HIS  37   9.626   3.235   1.697
  313    HD1  HIS  37           HD1      HIS  37  11.052   0.368   0.748
  314    HD2  HIS  37           HD2      HIS  37   8.044   0.962   3.591
  315    HE1  HIS  37           HE1      HIS  37  10.903  -1.745   2.130
  316    H    GLN  38           H        GLN  38   8.812   4.899  -0.060
  317    HA   GLN  38           HA       GLN  38   7.220   5.404  -2.195
  318   1HB   GLN  38          1HB       GLN  38   8.729   7.149  -2.791
  319   2HB   GLN  38          2HB       GLN  38   8.600   7.017  -1.015
  320   1HG   GLN  38          1HG       GLN  38  10.811   5.709  -1.026
  321   2HG   GLN  38          2HG       GLN  38  10.965   6.112  -2.766
  322   1HE2  GLN  38          2HE2      GLN  38  12.116   7.021   0.138
  323   2HE2  GLN  38          1HE2      GLN  38  12.439   8.703  -0.214
  324    H    THR  39           H        THR  39   9.830   3.131  -2.224
  325    HA   THR  39           HA       THR  39  10.132   3.064  -5.043
  326    HB   THR  39           HB       THR  39  11.833   2.308  -3.470
  327    HG1  THR  39           HG1      THR  39  12.366   0.480  -4.591
  328   1HG2  THR  39          1HG2      THR  39  10.347   1.123  -1.801
  329   2HG2  THR  39          2HG2      THR  39  10.012  -0.159  -3.024
  330   3HG2  THR  39          3HG2      THR  39  11.673   0.089  -2.411
  331    H    ALA  40           H        ALA  40   7.715   1.681  -2.909
  332    HA   ALA  40           HA       ALA  40   6.976  -0.339  -4.842
  333   1HB   ALA  40          1HB       ALA  40   5.761   0.535  -2.152
  334   2HB   ALA  40          2HB       ALA  40   5.293  -0.926  -3.090
  335   3HB   ALA  40          3HB       ALA  40   6.942  -0.817  -2.407
  336    H    ILE  41           H        ILE  41   6.129   2.926  -4.074
  337    HA   ILE  41           HA       ILE  41   3.493   2.810  -5.206
  338    HB   ILE  41           HB       ILE  41   5.187   5.138  -4.295
  339   1HG1  ILE  41          1HG1      ILE  41   2.828   3.704  -2.938
  340   2HG1  ILE  41          2HG1      ILE  41   4.546   3.442  -2.512
  341   1HG2  ILE  41          1HG2      ILE  41   2.198   4.961  -5.089
  342   2HG2  ILE  41          2HG2      ILE  41   2.996   6.386  -4.355
  343   3HG2  ILE  41          3HG2      ILE  41   3.483   5.860  -5.988
  344   1HD1  ILE  41          1HD1      ILE  41   4.799   5.874  -1.950
  345   2HD1  ILE  41          2HD1      ILE  41   3.032   6.107  -2.221
  346   3HD1  ILE  41          3HD1      ILE  41   3.608   5.012  -0.913
  347    H    LYS  42           H        LYS  42   3.367   2.425  -7.285
  348    HA   LYS  42           HA       LYS  42   3.583   2.529  -9.413
  349   1HB   LYS  42          1HB       LYS  42   4.787   5.306  -9.145
  350   2HB   LYS  42          2HB       LYS  42   4.092   4.576 -10.619
  351   1HG   LYS  42          1HG       LYS  42   1.893   4.297  -9.326
  352   2HG   LYS  42          2HG       LYS  42   2.620   5.312  -8.037
  353   1HD   LYS  42          1HD       LYS  42   3.094   7.069  -9.874
  354   2HD   LYS  42          2HD       LYS  42   2.088   6.089 -10.974
  355   1HE   LYS  42          1HE       LYS  42   1.218   7.467  -8.337
  356   2HE   LYS  42          2HE       LYS  42   0.745   7.938 -10.016
  357   1HZ   LYS  42          1HZ       LYS  42  -0.294   5.677 -10.183
  358   2HZ   LYS  42          2HZ       LYS  42  -0.009   5.464  -8.528
  359   3HZ   LYS  42          3HZ       LYS  42  -1.005   6.709  -9.041
  360    H    LYS  43           H        LYS  43   5.452   3.263 -11.329
  361    HA   LYS  43           HA       LYS  43   8.008   2.393 -10.311
  362   1HB   LYS  43          1HB       LYS  43   6.617   0.247 -10.796
  363   2HB   LYS  43          2HB       LYS  43   6.607   0.768 -12.491
  364   1HG   LYS  43          1HG       LYS  43   8.408  -0.571 -12.625
  365   2HG   LYS  43          2HG       LYS  43   9.324   0.844 -12.064
  366   1HD   LYS  43          1HD       LYS  43   8.307  -1.518 -10.332
  367   2HD   LYS  43          2HD       LYS  43   9.938  -1.263 -10.983
  368   1HE   LYS  43          1HE       LYS  43  10.287  -0.617  -8.822
  369   2HE   LYS  43          2HE       LYS  43   9.998   0.977  -9.619
  370   1HZ   LYS  43          1HZ       LYS  43   7.905  -0.608  -8.188
  371   2HZ   LYS  43          2HZ       LYS  43   8.816   0.618  -7.474
  372   3HZ   LYS  43          3HZ       LYS  43   7.759   0.975  -8.710
  373    H    ASN  44           H        ASN  44   9.434   3.661 -11.183
  374    HA   ASN  44           HA       ASN  44  10.370   5.114 -12.348
  375   1HB   ASN  44          1HB       ASN  44  10.786   2.855 -13.486
  376   2HB   ASN  44          2HB       ASN  44   9.832   3.486 -14.867
  377   1HD2  ASN  44          2HD2      ASN  44  12.482   2.746 -15.171
  378   2HD2  ASN  44          1HD2      ASN  44  13.540   4.132 -15.257
  379    H    ASN  45           H        ASN  45   8.034   4.610 -15.041
  380    HA   ASN  45           HA       ASN  45   8.052   7.365 -15.497
  381   1HB   ASN  45          1HB       ASN  45   7.853   5.506 -17.185
  382   2HB   ASN  45          2HB       ASN  45   6.168   5.235 -16.651
  383   1HD2  ASN  45          2HD2      ASN  45   4.594   6.522 -17.644
  384   2HD2  ASN  45          1HD2      ASN  45   4.953   7.873 -18.684
  385    HA   PRO  46           HA       PRO  46   4.677   7.944 -12.616
  386   1HB   PRO  46          1HB       PRO  46   4.404  10.668 -12.650
  387   2HB   PRO  46          2HB       PRO  46   5.867   9.865 -11.992
  388   1HG   PRO  46          1HG       PRO  46   5.512  11.014 -14.831
  389   2HG   PRO  46          2HG       PRO  46   6.839  11.357 -13.639
  390   1HD   PRO  46          1HD       PRO  46   7.090   9.401 -15.600
  391   2HD   PRO  46          2HD       PRO  46   7.810   9.175 -13.930
  392    H    ARG  47           H        ARG  47   2.486   9.027 -12.515
  393    HA   ARG  47           HA       ARG  47   1.281   9.500 -15.084
  394   1HB   ARG  47          1HB       ARG  47   1.112   7.009 -14.723
  395   2HB   ARG  47          2HB       ARG  47   0.202   7.331 -13.225
  396   1HG   ARG  47          1HG       ARG  47  -1.321   6.709 -14.959
  397   2HG   ARG  47          2HG       ARG  47  -1.616   8.432 -14.586
  398   1HD   ARG  47          1HD       ARG  47  -0.453   9.128 -16.674
  399   2HD   ARG  47          2HD       ARG  47   0.001   7.408 -17.025
  400    HE   ARG  47           HE       ARG  47  -2.773   7.317 -16.669
  401   1HH1  ARG  47          1HH1      ARG  47  -4.335   7.515 -18.271
  402   2HH1  ARG  47          2HH1      ARG  47  -3.735   7.523 -19.895
  403   1HH2  ARG  47          1HH2      ARG  47  -0.545   8.793 -19.051
  404   2HH2  ARG  47          2HH2      ARG  47  -1.804   8.929 -20.229
  405    H    LYS  48           H        LYS  48   1.317  11.574 -14.263
  406    HA   LYS  48           HA       LYS  48   0.557  13.348 -13.380
  407   1HB   LYS  48          1HB       LYS  48  -1.925  11.973 -12.348
  408   2HB   LYS  48          2HB       LYS  48  -1.661  13.728 -12.650
  409   1HG   LYS  48          1HG       LYS  48  -1.455  13.291 -15.096
  410   2HG   LYS  48          2HG       LYS  48  -1.904  11.579 -14.783
  411   1HD   LYS  48          1HD       LYS  48  -3.962  12.469 -13.502
  412   2HD   LYS  48          2HD       LYS  48  -3.524  14.098 -14.058
  413   1HE   LYS  48          1HE       LYS  48  -5.373  13.143 -15.396
  414   2HE   LYS  48          2HE       LYS  48  -3.934  13.450 -16.438
  415   1HZ   LYS  48          1HZ       LYS  48  -4.457  10.744 -15.254
  416   2HZ   LYS  48          2HZ       LYS  48  -5.147  11.249 -16.683
  417   3HZ   LYS  48          3HZ       LYS  48  -3.466  11.214 -16.543
  418    H    TYR  49           H        TYR  49  -1.049  13.789 -10.955
  419    HA   TYR  49           HA       TYR  49   0.996  13.101  -8.969
  420   1HB   TYR  49          1HB       TYR  49  -0.923  15.501  -9.137
  421   2HB   TYR  49          2HB       TYR  49   0.199  15.178  -7.775
  422    HD1  TYR  49           HD1      TYR  49   2.665  15.079  -8.274
  423    HD2  TYR  49           HD2      TYR  49  -0.178  16.730 -10.950
  424    HE1  TYR  49           HE1      TYR  49   4.424  16.455  -9.279
  425    HE2  TYR  49           HE2      TYR  49   1.564  18.118 -11.962
  426    HH   TYR  49           HH       TYR  49   4.934  17.837 -10.993
  427    H    LEU  50           H        LEU  50   0.289  12.366  -6.949
  428    HA   LEU  50           HA       LEU  50  -2.549  11.799  -6.634
  429   1HB   LEU  50          1HB       LEU  50  -0.554  10.291  -5.871
  430   2HB   LEU  50          2HB       LEU  50  -0.295  11.483  -4.586
  431    HG   LEU  50           HG       LEU  50  -2.872  11.090  -4.037
  432   1HD1  LEU  50          1HD1      LEU  50  -2.188   8.575  -5.709
  433   2HD1  LEU  50          2HD1      LEU  50  -3.627   8.738  -4.649
  434   3HD1  LEU  50          3HD1      LEU  50  -3.448   9.799  -6.103
  435   1HD2  LEU  50          1HD2      LEU  50  -0.762   8.890  -3.531
  436   2HD2  LEU  50          2HD2      LEU  50  -1.022  10.389  -2.545
  437   3HD2  LEU  50          3HD2      LEU  50  -2.301   9.121  -2.615
  438    H    ARG  51           H        ARG  51  -3.784  13.574  -6.196
  439    HA   ARG  51           HA       ARG  51  -2.512  15.837  -4.862
  440   1HB   ARG  51          1HB       ARG  51  -4.974  15.501  -6.584
  441   2HB   ARG  51          2HB       ARG  51  -4.720  16.975  -5.602
  442   1HG   ARG  51          1HG       ARG  51  -2.608  17.445  -6.729
  443   2HG   ARG  51          2HG       ARG  51  -2.728  15.940  -7.697
  444   1HD   ARG  51          1HD       ARG  51  -4.719  16.744  -8.865
  445   2HD   ARG  51          2HD       ARG  51  -4.841  18.205  -7.788
  446    HE   ARG  51           HE       ARG  51  -2.245  18.357  -8.881
  447   1HH1  ARG  51          1HH1      ARG  51  -5.569  18.421 -10.232
  448   2HH1  ARG  51          2HH1      ARG  51  -5.120  19.481 -11.513
  449   1HH2  ARG  51          1HH2      ARG  51  -1.719  19.613 -10.511
  450   2HH2  ARG  51          2HH2      ARG  51  -2.839  20.045 -11.803
  451    H    SER  52           H        SER  52  -5.620  14.044  -4.603
  452    HA   SER  52           HA       SER  52  -5.689  14.865  -1.790
  453   1HB   SER  52          1HB       SER  52  -7.418  16.052  -3.140
  454   2HB   SER  52          2HB       SER  52  -8.121  14.463  -3.601
  455    HG   SER  52           HG       SER  52  -9.031  14.417  -1.734
  456    H    VAL  53           H        VAL  53  -6.426  13.354  -0.265
  457    HA   VAL  53           HA       VAL  53  -6.764  10.630  -1.264
  458    HB   VAL  53           HB       VAL  53  -5.698   9.832   0.818
  459   1HG1  VAL  53          1HG1      VAL  53  -4.506   9.942  -1.397
  460   2HG1  VAL  53          2HG1      VAL  53  -3.898  11.583  -0.969
  461   3HG1  VAL  53          3HG1      VAL  53  -3.409  10.157   0.016
  462   1HG2  VAL  53          1HG2      VAL  53  -5.972  11.917   2.210
  463   2HG2  VAL  53          2HG2      VAL  53  -4.261  11.401   2.101
  464   3HG2  VAL  53          3HG2      VAL  53  -4.821  12.793   1.121
  465    H    GLY  54           H        GLY  54  -8.043   9.242  -0.024
  466   1HA   GLY  54          1HA       GLY  54 -10.422   9.590   0.554
  467   2HA   GLY  54          2HA       GLY  54  -9.791  10.542   1.949
  468    H    ASP  55           H        ASP  55 -10.405   9.354   3.663
  469    HA   ASP  55           HA       ASP  55  -8.939   7.007   4.103
  470   1HB   ASP  55          1HB       ASP  55  -9.793   6.949   6.305
  471   2HB   ASP  55          2HB       ASP  55  -9.435   8.652   5.881
  472    H    GLY  56           H        GLY  56  -9.398   4.850   4.219
  473   1HA   GLY  56          1HA       GLY  56 -12.140   3.980   4.034
  474   2HA   GLY  56          2HA       GLY  56 -10.641   3.019   4.279
  475    H    GLU  57           H        GLU  57  -9.730   4.737   1.755
  476    HA   GLU  57           HA       GLU  57 -11.253   3.443  -0.307
  477   1HB   GLU  57          1HB       GLU  57  -8.863   5.326  -0.334
  478   2HB   GLU  57          2HB       GLU  57  -9.513   4.583  -1.822
  479   1HG   GLU  57          1HG       GLU  57 -11.753   5.508  -1.400
  480   2HG   GLU  57          2HG       GLU  57 -11.152   6.334   0.087
  481    H    THR  58           H        THR  58 -10.486   2.129  -1.962
  482    HA   THR  58           HA       THR  58  -8.673   0.137  -0.945
  483    HB   THR  58           HB       THR  58  -9.702  -1.090  -3.042
  484    HG1  THR  58           HG1      THR  58 -11.999  -0.251  -2.820
  485   1HG2  THR  58          1HG2      THR  58  -9.954  -1.682  -0.600
  486   2HG2  THR  58          2HG2      THR  58 -11.254  -0.440  -0.437
  487   3HG2  THR  58          3HG2      THR  58 -11.489  -1.892  -1.497
  488    H    VAL  59           H        VAL  59  -7.018  -0.738  -1.971
  489    HA   VAL  59           HA       VAL  59  -6.074   0.418  -4.452
  490    HB   VAL  59           HB       VAL  59  -5.368   1.915  -2.648
  491   1HG1  VAL  59          1HG1      VAL  59  -5.213   0.258  -0.780
  492   2HG1  VAL  59          2HG1      VAL  59  -3.772  -0.496  -1.561
  493   3HG1  VAL  59          3HG1      VAL  59  -3.705   1.204  -0.976
  494   1HG2  VAL  59          1HG2      VAL  59  -4.006   1.662  -4.735
  495   2HG2  VAL  59          2HG2      VAL  59  -3.038   2.101  -3.283
  496   3HG2  VAL  59          3HG2      VAL  59  -2.984   0.417  -3.903
  497    H    GLU  60           H        GLU  60  -4.306  -0.823  -5.411
  498    HA   GLU  60           HA       GLU  60  -4.284  -3.572  -4.406
  499   1HB   GLU  60          1HB       GLU  60  -3.457  -4.223  -6.677
  500   2HB   GLU  60          2HB       GLU  60  -5.164  -3.652  -6.621
  501   1HG   GLU  60          1HG       GLU  60  -4.382  -1.430  -7.527
  502   2HG   GLU  60          2HG       GLU  60  -2.692  -2.090  -7.594
  503    H    PHE  61           H        PHE  61  -2.557  -4.770  -4.217
  504    HA   PHE  61           HA       PHE  61   0.071  -3.735  -4.732
  505   1HB   PHE  61          1HB       PHE  61   0.738  -4.127  -2.236
  506   2HB   PHE  61          2HB       PHE  61  -0.184  -2.639  -2.611
  507    HD1  PHE  61           HD1      PHE  61  -0.521  -6.083  -1.251
  508    HD2  PHE  61           HD2      PHE  61  -2.271  -2.277  -1.803
  509    HE1  PHE  61           HE1      PHE  61  -2.342  -6.706   0.298
  510    HE2  PHE  61           HE2      PHE  61  -4.123  -2.891  -0.292
  511    HZ   PHE  61           HZ       PHE  61  -4.118  -5.116   0.789
  512    H    ASP  62           H        ASP  62   1.763  -5.387  -3.988
  513    HA   ASP  62           HA       ASP  62   0.656  -8.104  -4.103
  514   1HB   ASP  62          1HB       ASP  62   3.542  -7.050  -4.149
  515   2HB   ASP  62          2HB       ASP  62   3.045  -8.766  -4.359
  516    H    VAL  63           H        VAL  63   1.228  -9.630  -2.337
  517    HA   VAL  63           HA       VAL  63   1.875  -8.229   0.175
  518    HB   VAL  63           HB       VAL  63   0.336 -10.813  -0.242
  519   1HG1  VAL  63          1HG1      VAL  63   1.819 -10.566   1.972
  520   2HG1  VAL  63          2HG1      VAL  63   0.690  -9.251   2.410
  521   3HG1  VAL  63          3HG1      VAL  63   0.080 -10.914   2.167
  522   1HG2  VAL  63          1HG2      VAL  63  -1.043  -8.784  -0.810
  523   2HG2  VAL  63          2HG2      VAL  63  -1.609  -9.625   0.678
  524   3HG2  VAL  63          3HG2      VAL  63  -0.662  -8.106   0.828
  525    H    VAL  64           H        VAL  64   4.210  -8.470   0.176
  526    HA   VAL  64           HA       VAL  64   5.056 -11.233  -0.318
  527    HB   VAL  64           HB       VAL  64   7.074  -9.958  -1.326
  528   1HG1  VAL  64          1HG1      VAL  64   4.332 -10.369  -2.730
  529   2HG1  VAL  64          2HG1      VAL  64   5.900 -10.138  -3.573
  530   3HG1  VAL  64          3HG1      VAL  64   5.625 -11.602  -2.573
  531   1HG2  VAL  64          1HG2      VAL  64   6.060  -7.642  -0.811
  532   2HG2  VAL  64          2HG2      VAL  64   6.426  -7.939  -2.557
  533   3HG2  VAL  64          3HG2      VAL  64   4.735  -8.022  -1.976
  534    H    GLU  65           H        GLU  65   5.804 -12.123   1.449
  535    HA   GLU  65           HA       GLU  65   6.895 -10.404   3.513
  536   1HB   GLU  65          1HB       GLU  65   5.092 -12.163   3.984
  537   2HB   GLU  65          2HB       GLU  65   6.329 -13.386   3.642
  538   1HG   GLU  65          1HG       GLU  65   7.784 -12.285   5.500
  539   2HG   GLU  65          2HG       GLU  65   6.355 -11.281   5.899
  540    H    GLY  66           H        GLY  66   8.919 -10.100   3.742
  541   1HA   GLY  66          1HA       GLY  66  11.162 -10.610   2.988
  542   2HA   GLY  66          2HA       GLY  66  10.785 -12.346   3.303
  543    H    GLU  67           H        GLU  67  10.139  -9.416   5.199
  544    HA   GLU  67           HA       GLU  67  12.043 -10.264   7.226
  545   1HB   GLU  67          1HB       GLU  67  10.455  -7.661   6.964
  546   2HB   GLU  67          2HB       GLU  67  11.802  -8.013   8.097
  547   1HG   GLU  67          1HG       GLU  67  13.393  -8.262   6.197
  548   2HG   GLU  67          2HG       GLU  67  12.045  -7.940   5.044
  549    H    LYS  68           H        LYS  68  10.233  -8.454   9.053
  550    HA   LYS  68           HA       LYS  68   9.142 -10.711  10.395
  551   1HB   LYS  68          1HB       LYS  68   9.060  -7.710  10.979
  552   2HB   LYS  68          2HB       LYS  68   8.538  -8.994  12.116
  553   1HG   LYS  68          1HG       LYS  68  10.800 -10.006  12.064
  554   2HG   LYS  68          2HG       LYS  68  11.394  -8.738  10.972
  555   1HD   LYS  68          1HD       LYS  68  10.297  -8.321  13.815
  556   2HD   LYS  68          2HD       LYS  68  12.020  -8.442  13.385
  557   1HE   LYS  68          1HE       LYS  68  10.098  -6.172  12.534
  558   2HE   LYS  68          2HE       LYS  68  11.420  -6.104  13.760
  559   1HZ   LYS  68          1HZ       LYS  68  12.910  -6.804  11.770
  560   2HZ   LYS  68          2HZ       LYS  68  11.631  -6.298  10.816
  561   3HZ   LYS  68          3HZ       LYS  68  12.377  -5.220  11.862
  562    H    GLY  69           H        GLY  69   7.822  -8.225   8.318
  563   1HA   GLY  69          1HA       GLY  69   5.324  -7.734   8.774
  564   2HA   GLY  69          2HA       GLY  69   5.247  -9.501   8.379
  565    H    ALA  70           H        ALA  70   3.970  -8.471   6.436
  566    HA   ALA  70           HA       ALA  70   5.974  -8.732   4.353
  567   1HB   ALA  70          1HB       ALA  70   2.923  -8.901   4.187
  568   2HB   ALA  70          2HB       ALA  70   4.105  -9.337   2.893
  569   3HB   ALA  70          3HB       ALA  70   4.057 -10.283   4.422
  570    H    GLU  71           H        GLU  71   6.094  -7.581   2.455
  571    HA   GLU  71           HA       GLU  71   5.319  -4.758   2.768
  572   1HB   GLU  71          1HB       GLU  71   7.171  -4.191   1.332
  573   2HB   GLU  71          2HB       GLU  71   7.690  -5.124   2.787
  574   1HG   GLU  71          1HG       GLU  71   8.055  -7.147   1.419
  575   2HG   GLU  71          2HG       GLU  71   7.480  -6.288  -0.046
  576    H    ALA  72           H        ALA  72   5.606  -3.849   0.202
  577    HA   ALA  72           HA       ALA  72   3.704  -5.444  -1.405
  578   1HB   ALA  72          1HB       ALA  72   3.375  -2.692  -0.161
  579   2HB   ALA  72          2HB       ALA  72   2.221  -4.080  -0.213
  580   3HB   ALA  72          3HB       ALA  72   2.521  -3.143  -1.704
  581    H    ALA  73           H        ALA  73   3.629  -4.757  -3.585
  582    HA   ALA  73           HA       ALA  73   5.659  -2.901  -4.499
  583   1HB   ALA  73          1HB       ALA  73   6.823  -5.172  -4.520
  584   2HB   ALA  73          2HB       ALA  73   5.448  -5.830  -5.463
  585   3HB   ALA  73          3HB       ALA  73   6.519  -4.574  -6.191
  586    H    ASN  74           H        ASN  74   5.252  -2.413  -6.811
  587    HA   ASN  74           HA       ASN  74   3.950  -1.698  -8.376
  588   1HB   ASN  74          1HB       ASN  74   2.603  -4.425  -8.177
  589   2HB   ASN  74          2HB       ASN  74   2.728  -3.385  -9.641
  590   1HD2  ASN  74          2HD2      ASN  74   4.118  -6.047  -8.019
  591   2HD2  ASN  74          1HD2      ASN  74   5.633  -6.051  -8.862
  592    H    VAL  75           H        VAL  75   3.094  -0.653  -6.011
  593    HA   VAL  75           HA       VAL  75   0.365  -1.050  -5.609
  594    HB   VAL  75           HB       VAL  75   2.121   1.164  -4.553
  595   1HG1  VAL  75          1HG1      VAL  75  -0.516  -0.127  -3.565
  596   2HG1  VAL  75          2HG1      VAL  75   0.450   1.092  -2.664
  597   3HG1  VAL  75          3HG1      VAL  75  -0.346   1.546  -4.216
  598   1HG2  VAL  75          1HG2      VAL  75   1.601  -1.730  -3.600
  599   2HG2  VAL  75          2HG2      VAL  75   3.188  -1.009  -4.036
  600   3HG2  VAL  75          3HG2      VAL  75   2.333  -0.444  -2.567
  601    H    THR  76           H        THR  76  -1.197  -0.342  -6.827
  602    HA   THR  76           HA       THR  76  -0.695   1.995  -8.554
  603    HB   THR  76           HB       THR  76  -2.053  -0.515  -9.533
  604    HG1  THR  76           HG1      THR  76   0.071  -0.991  -8.980
  605   1HG2  THR  76          1HG2      THR  76  -0.572   1.866 -10.890
  606   2HG2  THR  76          2HG2      THR  76  -1.376   0.491 -11.729
  607   3HG2  THR  76          3HG2      THR  76  -2.363   1.699 -10.847
  608    H    GLY  77           H        GLY  77  -3.603   0.659  -9.473
  609   1HA   GLY  77          1HA       GLY  77  -5.087   2.462  -7.690
  610   2HA   GLY  77          2HA       GLY  77  -5.645   0.865  -8.303
  611    HA   PRO  78           HA       PRO  78  -7.011   2.973 -11.883
  612   1HB   PRO  78          1HB       PRO  78  -9.596   3.706 -11.319
  613   2HB   PRO  78          2HB       PRO  78  -9.099   1.972 -11.324
  614   1HG   PRO  78          1HG       PRO  78  -9.288   3.847  -8.886
  615   2HG   PRO  78          2HG       PRO  78 -10.048   2.212  -9.085
  616   1HD   PRO  78          1HD       PRO  78  -7.582   2.643  -7.848
  617   2HD   PRO  78          2HD       PRO  78  -7.920   1.122  -8.801
  618    H    GLY  79           H        GLY  79  -7.382   5.068 -12.912
  619   1HA   GLY  79          1HA       GLY  79  -6.143   7.142 -11.571
  620   2HA   GLY  79          2HA       GLY  79  -7.930   7.361 -11.498

  No H/Q in entry =         620
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -0.782 -22.051   2.963
    2    H2   MET   1           H2       MET   1  -0.041 -21.609   1.542
    3    H3   MET   1           H3       MET   1   0.106 -23.202   2.140
    4    HA   MET   1           HA       MET   1   1.395 -22.453   3.980
    5   1HB   MET   1          1HB       MET   1   2.358 -21.162   1.356
    6   2HB   MET   1          2HB       MET   1   3.402 -21.490   2.767
    7   1HG   MET   1          1HG       MET   1   2.010 -23.609   1.016
    8   2HG   MET   1          2HG       MET   1   3.721 -23.168   1.043
    9   1HE   MET   1          1HE       MET   1   2.664 -26.051   1.183
   10   2HE   MET   1          2HE       MET   1   4.405 -25.598   1.230
   11   3HE   MET   1          3HE       MET   1   3.742 -26.773   2.422
   12    H    LYS   2           H        LYS   2   2.757 -20.712   4.970
   13    HA   LYS   2           HA       LYS   2   1.058 -18.415   5.390
   14   1HB   LYS   2          1HB       LYS   2   3.495 -19.502   6.864
   15   2HB   LYS   2          2HB       LYS   2   2.655 -17.967   7.290
   16   1HG   LYS   2          1HG       LYS   2   0.543 -19.185   7.658
   17   2HG   LYS   2          2HG       LYS   2   1.334 -20.730   7.243
   18   1HD   LYS   2          1HD       LYS   2   2.934 -20.412   9.191
   19   2HD   LYS   2          2HD       LYS   2   2.166 -18.838   9.526
   20   1HE   LYS   2          1HE       LYS   2   1.202 -20.350  11.132
   21   2HE   LYS   2          2HE       LYS   2  -0.063 -20.067   9.872
   22   1HZ   LYS   2          1HZ       LYS   2   0.936 -22.221   8.835
   23   2HZ   LYS   2          2HZ       LYS   2   1.608 -22.478  10.333
   24   3HZ   LYS   2          3HZ       LYS   2  -0.073 -22.336  10.171
   25    H    LYS   3           H        LYS   3   4.652 -18.606   5.254
   26    HA   LYS   3           HA       LYS   3   4.744 -15.881   4.891
   27   1HB   LYS   3          1HB       LYS   3   6.928 -17.964   4.387
   28   2HB   LYS   3          2HB       LYS   3   7.185 -16.203   4.613
   29   1HG   LYS   3          1HG       LYS   3   6.159 -16.356   6.889
   30   2HG   LYS   3          2HG       LYS   3   6.071 -18.132   6.740
   31   1HD   LYS   3          1HD       LYS   3   8.646 -16.447   6.556
   32   2HD   LYS   3          2HD       LYS   3   8.023 -17.262   8.028
   33   1HE   LYS   3          1HE       LYS   3   8.265 -19.505   6.924
   34   2HE   LYS   3          2HE       LYS   3   8.969 -18.698   5.462
   35   1HZ   LYS   3          1HZ       LYS   3  10.031 -18.538   8.245
   36   2HZ   LYS   3          2HZ       LYS   3  10.704 -19.465   7.025
   37   3HZ   LYS   3          3HZ       LYS   3  10.694 -17.782   6.892
   38    H    VAL   4           H        VAL   4   4.724 -14.554   3.276
   39    HA   VAL   4           HA       VAL   4   5.013 -13.593   1.362
   40    HB   VAL   4           HB       VAL   4   6.433 -16.022   0.258
   41   1HG1  VAL   4          1HG1      VAL   4   5.687 -14.254  -1.432
   42   2HG1  VAL   4          2HG1      VAL   4   6.610 -13.021  -0.476
   43   3HG1  VAL   4          3HG1      VAL   4   7.470 -14.377  -1.265
   44   1HG2  VAL   4          1HG2      VAL   4   7.693 -13.647   1.758
   45   2HG2  VAL   4          2HG2      VAL   4   7.636 -15.369   2.330
   46   3HG2  VAL   4          3HG2      VAL   4   8.546 -14.936   0.855
   47    H    ILE   5           H        ILE   5   2.730 -13.487   0.889
   48    HA   ILE   5           HA       ILE   5   1.636 -15.973   0.055
   49    HB   ILE   5           HB       ILE   5   0.163 -13.379   0.288
   50   1HG1  ILE   5          1HG1      ILE   5  -0.561 -15.093   2.372
   51   2HG1  ILE   5          2HG1      ILE   5   1.200 -15.345   2.311
   52   1HG2  ILE   5          1HG2      ILE   5  -0.656 -16.369   0.118
   53   2HG2  ILE   5          2HG2      ILE   5  -1.777 -15.018   0.476
   54   3HG2  ILE   5          3HG2      ILE   5  -1.009 -15.119  -1.126
   55   1HD1  ILE   5          1HD1      ILE   5  -0.251 -12.620   2.514
   56   2HD1  ILE   5          2HD1      ILE   5   0.583 -13.469   3.864
   57   3HD1  ILE   5          3HD1      ILE   5   1.536 -12.827   2.469
   58    H    ALA   6           H        ALA   6   1.401 -12.764  -1.519
   59    HA   ALA   6           HA       ALA   6   1.301 -14.147  -4.103
   60   1HB   ALA   6          1HB       ALA   6  -1.110 -13.341  -4.472
   61   2HB   ALA   6          2HB       ALA   6  -0.928 -14.559  -3.166
   62   3HB   ALA   6          3HB       ALA   6  -1.101 -12.835  -2.728
   63    H    THR   7           H        THR   7   0.817 -12.933  -5.905
   64    HA   THR   7           HA       THR   7   1.543 -10.119  -5.837
   65    HB   THR   7           HB       THR   7   1.872 -10.540  -8.311
   66    HG1  THR   7           HG1      THR   7   2.079 -12.722  -8.862
   67   1HG2  THR   7          1HG2      THR   7   3.744 -10.664  -6.589
   68   2HG2  THR   7          2HG2      THR   7   3.429 -12.419  -6.380
   69   3HG2  THR   7          3HG2      THR   7   4.004 -11.784  -7.974
   70    H    LYS   8           H        LYS   8   0.165  -8.568  -6.619
   71    HA   LYS   8           HA       LYS   8  -1.690  -7.587  -6.862
   72   1HB   LYS   8          1HB       LYS   8  -1.281  -8.587  -9.158
   73   2HB   LYS   8          2HB       LYS   8  -2.683  -9.639  -8.812
   74   1HG   LYS   8          1HG       LYS   8  -3.957  -7.484  -8.178
   75   2HG   LYS   8          2HG       LYS   8  -2.572  -6.549  -8.806
   76   1HD   LYS   8          1HD       LYS   8  -4.135  -8.641 -10.447
   77   2HD   LYS   8          2HD       LYS   8  -4.597  -6.904 -10.378
   78   1HE   LYS   8          1HE       LYS   8  -2.474  -6.205 -11.427
   79   2HE   LYS   8          2HE       LYS   8  -1.857  -7.896 -11.418
   80   1HZ   LYS   8          1HZ       LYS   8  -4.392  -7.121 -12.750
   81   2HZ   LYS   8          2HZ       LYS   8  -2.913  -7.105 -13.564
   82   3HZ   LYS   8          3HZ       LYS   8  -3.507  -8.548 -12.932
   83    H    VAL   9           H        VAL   9  -2.160  -7.839  -4.758
   84    HA   VAL   9           HA       VAL   9  -4.554  -9.349  -4.039
   85    HB   VAL   9           HB       VAL   9  -2.240  -8.234  -2.379
   86   1HG1  VAL   9          1HG1      VAL   9  -4.590 -10.168  -1.744
   87   2HG1  VAL   9          2HG1      VAL   9  -3.188  -9.908  -0.642
   88   3HG1  VAL   9          3HG1      VAL   9  -4.301  -8.546  -1.012
   89   1HG2  VAL   9          1HG2      VAL   9  -2.667 -11.107  -3.437
   90   2HG2  VAL   9          2HG2      VAL   9  -1.268 -10.009  -3.762
   91   3HG2  VAL   9          3HG2      VAL   9  -1.518 -10.669  -2.120
   92    H    LEU  10           H        LEU  10  -6.089  -7.996  -2.723
   93    HA   LEU  10           HA       LEU  10  -5.411  -5.132  -2.930
   94   1HB   LEU  10          1HB       LEU  10  -7.983  -6.599  -3.525
   95   2HB   LEU  10          2HB       LEU  10  -8.006  -4.904  -2.957
   96    HG   LEU  10           HG       LEU  10  -6.392  -4.274  -4.757
   97   1HD1  LEU  10          1HD1      LEU  10  -7.022  -7.083  -5.857
   98   2HD1  LEU  10          2HD1      LEU  10  -6.465  -5.706  -6.885
   99   3HD1  LEU  10          3HD1      LEU  10  -5.407  -6.326  -5.601
  100   1HD2  LEU  10          1HD2      LEU  10  -8.809  -3.764  -4.792
  101   2HD2  LEU  10          2HD2      LEU  10  -8.145  -4.034  -6.448
  102   3HD2  LEU  10          3HD2      LEU  10  -9.130  -5.333  -5.644
  103    H    GLY  11           H        GLY  11  -6.616  -3.714  -1.419
  104   1HA   GLY  11          1HA       GLY  11  -5.959  -4.466   1.178
  105   2HA   GLY  11          2HA       GLY  11  -7.723  -4.753   0.882
  106    H    THR  12           H        THR  12  -7.108  -3.122   2.865
  107    HA   THR  12           HA       THR  12  -8.074  -0.560   1.774
  108    HB   THR  12           HB       THR  12  -8.598  -1.942   4.438
  109    HG1  THR  12           HG1      THR  12 -10.277  -1.440   2.219
  110   1HG2  THR  12          1HG2      THR  12  -9.720   0.645   3.183
  111   2HG2  THR  12          2HG2      THR  12 -10.400  -0.150   4.655
  112   3HG2  THR  12          3HG2      THR  12  -8.753   0.558   4.705
  113    H    VAL  13           H        VAL  13  -6.994   1.308   2.306
  114    HA   VAL  13           HA       VAL  13  -4.509   1.116   3.555
  115    HB   VAL  13           HB       VAL  13  -6.202   3.530   2.890
  116   1HG1  VAL  13          1HG1      VAL  13  -3.163   3.261   3.454
  117   2HG1  VAL  13          2HG1      VAL  13  -3.987   4.706   2.777
  118   3HG1  VAL  13          3HG1      VAL  13  -4.360   4.204   4.445
  119   1HG2  VAL  13          1HG2      VAL  13  -4.013   2.008   1.322
  120   2HG2  VAL  13          2HG2      VAL  13  -5.757   2.089   0.880
  121   3HG2  VAL  13          3HG2      VAL  13  -4.756   3.578   0.846
  122    H    LYS  14           H        LYS  14  -3.736   1.519   5.570
  123    HA   LYS  14           HA       LYS  14  -5.699   2.229   7.625
  124   1HB   LYS  14          1HB       LYS  14  -4.274   0.194   7.875
  125   2HB   LYS  14          2HB       LYS  14  -2.826   1.233   7.876
  126   1HG   LYS  14          1HG       LYS  14  -3.649   2.351   9.978
  127   2HG   LYS  14          2HG       LYS  14  -5.171   1.405   9.882
  128   1HD   LYS  14          1HD       LYS  14  -3.859  -0.713  10.062
  129   2HD   LYS  14          2HD       LYS  14  -2.343   0.230  10.190
  130   1HE   LYS  14          1HE       LYS  14  -3.194   1.280  12.326
  131   2HE   LYS  14          2HE       LYS  14  -4.688   0.261  12.221
  132   1HZ   LYS  14          1HZ       LYS  14  -1.898  -0.791  12.335
  133   2HZ   LYS  14          2HZ       LYS  14  -2.962  -0.676  13.650
  134   3HZ   LYS  14          3HZ       LYS  14  -3.296  -1.709  12.353
  135    H    TRP  15           H        TRP  15  -2.354   3.131   6.603
  136    HA   TRP  15           HA       TRP  15  -3.036   5.909   6.809
  137   1HB   TRP  15          1HB       TRP  15  -2.547   5.323   9.185
  138   2HB   TRP  15          2HB       TRP  15  -1.026   4.538   8.682
  139    HD1  TRP  15           HD1      TRP  15   1.090   6.119   8.595
  140    HE1  TRP  15           HE1      TRP  15   1.492   8.615   9.202
  141    HE3  TRP  15           HE3      TRP  15  -3.730   7.608   9.028
  142    HZ2  TRP  15           HZ2      TRP  15  -0.062  10.841   9.873
  143    HZ3  TRP  15           HZ3      TRP  15  -4.213   9.895   9.737
  144    HH2  TRP  15           HH2      TRP  15  -2.412  11.484  10.151
  145    H    PHE  16           H        PHE  16  -1.955   7.008   5.218
  146    HA   PHE  16           HA       PHE  16   0.604   5.878   4.325
  147   1HB   PHE  16          1HB       PHE  16  -1.210   7.989   3.032
  148   2HB   PHE  16          2HB       PHE  16   0.470   7.631   2.500
  149    HD1  PHE  16           HD1      PHE  16  -2.743   7.060   1.657
  150    HD2  PHE  16           HD2      PHE  16   0.924   4.995   2.206
  151    HE1  PHE  16           HE1      PHE  16  -3.463   5.376   0.048
  152    HE2  PHE  16           HE2      PHE  16   0.187   3.264   0.631
  153    HZ   PHE  16           HZ       PHE  16  -2.008   3.460  -0.465
  154    H    ASN  17           H        ASN  17   2.405   6.848   5.196
  155    HA   ASN  17           HA       ASN  17   2.065   9.462   6.436
  156   1HB   ASN  17          1HB       ASN  17   2.901   7.458   7.798
  157   2HB   ASN  17          2HB       ASN  17   4.344   7.414   6.746
  158   1HD2  ASN  17          2HD2      ASN  17   6.053   8.550   7.608
  159   2HD2  ASN  17          1HD2      ASN  17   5.953  10.041   8.478
  160    H    VAL  18           H        VAL  18   2.017  10.380   4.245
  161    HA   VAL  18           HA       VAL  18   4.303  10.217   2.619
  162    HB   VAL  18           HB       VAL  18   2.077  12.286   2.554
  163   1HG1  VAL  18          1HG1      VAL  18   3.956  11.069   0.412
  164   2HG1  VAL  18          2HG1      VAL  18   2.513  12.090   0.047
  165   3HG1  VAL  18          3HG1      VAL  18   3.898  12.798   0.943
  166   1HG2  VAL  18          1HG2      VAL  18   2.141   9.381   1.515
  167   2HG2  VAL  18          2HG2      VAL  18   0.952  10.102   2.678
  168   3HG2  VAL  18          3HG2      VAL  18   0.964  10.623   0.973
  169    H    ARG  19           H        ARG  19   3.664  11.923   5.393
  170    HA   ARG  19           HA       ARG  19   5.207  14.201   5.283
  171   1HB   ARG  19          1HB       ARG  19   3.514  13.307   6.975
  172   2HB   ARG  19          2HB       ARG  19   4.699  12.086   7.480
  173   1HG   ARG  19          1HG       ARG  19   6.121  13.755   8.475
  174   2HG   ARG  19          2HG       ARG  19   5.172  15.107   7.761
  175   1HD   ARG  19          1HD       ARG  19   3.197  14.542   9.140
  176   2HD   ARG  19          2HD       ARG  19   4.012  13.051   9.742
  177    HE   ARG  19           HE       ARG  19   5.748  15.273  10.355
  178   1HH1  ARG  19          1HH1      ARG  19   2.474  14.099  11.468
  179   2HH1  ARG  19          2HH1      ARG  19   2.885  14.562  13.072
  180   1HH2  ARG  19          1HH2      ARG  19   6.031  15.809  12.455
  181   2HH2  ARG  19          2HH2      ARG  19   4.842  15.396  13.681
  182    H    ASN  20           H        ASN  20   6.212  10.819   5.626
  183    HA   ASN  20           HA       ASN  20   8.990  11.796   5.473
  184   1HB   ASN  20          1HB       ASN  20   8.070   9.373   7.137
  185   2HB   ASN  20          2HB       ASN  20   9.764   9.964   6.934
  186   1HD2  ASN  20          2HD2      ASN  20  10.308  12.093   7.865
  187   2HD2  ASN  20          1HD2      ASN  20   9.350  12.741   9.169
  188    H    GLY  21           H        GLY  21   6.727   9.066   4.725
  189   1HA   GLY  21          1HA       GLY  21   8.825   7.696   3.388
  190   2HA   GLY  21          2HA       GLY  21   7.754   8.600   2.282
  191    H    TYR  22           H        TYR  22   7.285   6.481   5.180
  192    HA   TYR  22           HA       TYR  22   6.417   4.380   3.486
  193   1HB   TYR  22          1HB       TYR  22   6.548   4.715   6.537
  194   2HB   TYR  22          2HB       TYR  22   6.038   3.195   5.742
  195    HD1  TYR  22           HD1      TYR  22   8.907   5.278   6.556
  196    HD2  TYR  22           HD2      TYR  22   7.513   1.907   4.389
  197    HE1  TYR  22           HE1      TYR  22  11.189   4.412   6.442
  198    HE2  TYR  22           HE2      TYR  22   9.776   1.031   4.278
  199    HH   TYR  22           HH       TYR  22  11.947   1.360   4.775
  200    H    GLY  23           H        GLY  23   4.534   2.990   3.994
  201   1HA   GLY  23          1HA       GLY  23   2.095   3.854   3.597
  202   2HA   GLY  23          2HA       GLY  23   2.311   4.247   5.341
  203    H    PHE  24           H        PHE  24   0.473   2.648   5.562
  204    HA   PHE  24           HA       PHE  24   1.240  -0.048   4.934
  205   1HB   PHE  24          1HB       PHE  24   0.732  -0.840   7.363
  206   2HB   PHE  24          2HB       PHE  24   2.354  -0.225   6.900
  207    HD1  PHE  24           HD1      PHE  24   3.276   1.631   7.903
  208    HD2  PHE  24           HD2      PHE  24  -0.811   0.725   8.533
  209    HE1  PHE  24           HE1      PHE  24   3.175   3.370   9.628
  210    HE2  PHE  24           HE2      PHE  24  -0.938   2.484  10.263
  211    HZ   PHE  24           HZ       PHE  24   1.060   3.813  10.803
  212    H    ILE  25           H        ILE  25  -0.218  -1.490   4.756
  213    HA   ILE  25           HA       ILE  25  -2.938  -0.467   4.475
  214    HB   ILE  25           HB       ILE  25  -1.820  -2.870   3.029
  215   1HG1  ILE  25          1HG1      ILE  25  -0.115  -1.142   2.606
  216   2HG1  ILE  25          2HG1      ILE  25  -1.096  -1.553   1.183
  217   1HG2  ILE  25          1HG2      ILE  25  -3.962  -0.746   2.385
  218   2HG2  ILE  25          2HG2      ILE  25  -3.370  -1.983   1.236
  219   3HG2  ILE  25          3HG2      ILE  25  -4.232  -2.499   2.728
  220   1HD1  ILE  25          1HD1      ILE  25  -1.556   1.010   2.863
  221   2HD1  ILE  25          2HD1      ILE  25  -0.613   0.905   1.347
  222   3HD1  ILE  25          3HD1      ILE  25  -2.365   0.550   1.320
  223    H    ASN  26           H        ASN  26  -4.708  -2.025   4.810
  224    HA   ASN  26           HA       ASN  26  -3.906  -4.447   6.269
  225   1HB   ASN  26          1HB       ASN  26  -6.581  -2.940   6.253
  226   2HB   ASN  26          2HB       ASN  26  -6.332  -4.552   7.018
  227   1HD2  ASN  26          2HD2      ASN  26  -4.057  -4.470   8.476
  228   2HD2  ASN  26          1HD2      ASN  26  -4.152  -3.164   9.617
  229    H    ARG  27           H        ARG  27  -3.435  -5.756   4.587
  230    HA   ARG  27           HA       ARG  27  -4.839  -6.306   2.331
  231   1HB   ARG  27          1HB       ARG  27  -2.580  -6.998   3.087
  232   2HB   ARG  27          2HB       ARG  27  -3.301  -8.039   4.331
  233   1HG   ARG  27          1HG       ARG  27  -3.381  -8.438   1.284
  234   2HG   ARG  27          2HG       ARG  27  -2.307  -9.221   2.504
  235   1HD   ARG  27          1HD       ARG  27  -4.597 -10.110   3.533
  236   2HD   ARG  27          2HD       ARG  27  -5.235  -9.795   1.870
  237    HE   ARG  27           HE       ARG  27  -3.065 -11.721   2.678
  238   1HH1  ARG  27          1HH1      ARG  27  -3.172 -13.719   1.998
  239   2HH1  ARG  27          2HH1      ARG  27  -4.229 -14.148   0.668
  240   1HH2  ARG  27          1HH2      ARG  27  -5.783 -11.042   0.415
  241   2HH2  ARG  27          2HH2      ARG  27  -5.712 -12.701  -0.101
  242    H    ASN  28           H        ASN  28  -6.563  -7.498   1.739
  243    HA   ASN  28           HA       ASN  28  -8.529  -8.234   3.512
  244   1HB   ASN  28          1HB       ASN  28  -9.652  -9.160   1.518
  245   2HB   ASN  28          2HB       ASN  28  -9.025  -7.493   1.319
  246   1HD2  ASN  28          2HD2      ASN  28  -9.482  -8.069  -0.949
  247   2HD2  ASN  28          1HD2      ASN  28  -8.238  -8.878  -1.863
  248    H    ASP  29           H        ASP  29  -7.820  -9.636   5.096
  249    HA   ASP  29           HA       ASP  29  -8.247 -12.343   4.415
  250   1HB   ASP  29          1HB       ASP  29  -5.803 -12.009   3.755
  251   2HB   ASP  29          2HB       ASP  29  -5.399 -11.742   5.488
  252    H    THR  30           H        THR  30  -6.347 -10.777   7.074
  253    HA   THR  30           HA       THR  30  -8.575 -11.145   8.872
  254    HB   THR  30           HB       THR  30  -7.346 -13.258   9.043
  255    HG1  THR  30           HG1      THR  30  -7.003 -13.105  11.251
  256   1HG2  THR  30          1HG2      THR  30  -5.088 -12.545   8.355
  257   2HG2  THR  30          2HG2      THR  30  -4.929 -11.513   9.835
  258   3HG2  THR  30          3HG2      THR  30  -5.051 -13.303   9.981
  259    H    LYS  31           H        LYS  31  -7.563  -9.013   7.429
  260    HA   LYS  31           HA       LYS  31  -6.427  -7.183   7.319
  261   1HB   LYS  31          1HB       LYS  31  -7.016  -7.106  10.292
  262   2HB   LYS  31          2HB       LYS  31  -6.207  -5.777   9.411
  263   1HG   LYS  31          1HG       LYS  31  -8.370  -5.039   9.488
  264   2HG   LYS  31          2HG       LYS  31  -8.253  -5.695   7.838
  265   1HD   LYS  31          1HD       LYS  31  -9.356  -7.801   8.610
  266   2HD   LYS  31          2HD       LYS  31  -9.479  -7.156  10.269
  267   1HE   LYS  31          1HE       LYS  31 -10.830  -6.037   7.704
  268   2HE   LYS  31          2HE       LYS  31 -11.632  -7.006   9.001
  269   1HZ   LYS  31          1HZ       LYS  31 -10.868  -5.095  10.536
  270   2HZ   LYS  31          2HZ       LYS  31 -10.669  -4.195   9.141
  271   3HZ   LYS  31          3HZ       LYS  31 -12.173  -4.883   9.481
  272    H    GLU  32           H        GLU  32  -4.372  -8.154   6.536
  273    HA   GLU  32           HA       GLU  32  -2.420  -8.505   8.660
  274   1HB   GLU  32          1HB       GLU  32  -2.854  -9.385   5.794
  275   2HB   GLU  32          2HB       GLU  32  -1.200  -9.423   6.462
  276   1HG   GLU  32          1HG       GLU  32  -3.548 -10.754   7.934
  277   2HG   GLU  32          2HG       GLU  32  -2.697 -11.571   6.567
  278    H    ASP  33           H        ASP  33  -0.565  -7.297   8.791
  279    HA   ASP  33           HA       ASP  33  -0.893  -4.651   7.726
  280   1HB   ASP  33          1HB       ASP  33   1.016  -5.982   9.729
  281   2HB   ASP  33          2HB       ASP  33   1.342  -4.332   9.099
  282    H    VAL  34           H        VAL  34  -0.303  -4.219   5.744
  283    HA   VAL  34           HA       VAL  34   2.166  -5.461   4.714
  284    HB   VAL  34           HB       VAL  34  -0.293  -4.409   3.302
  285   1HG1  VAL  34          1HG1      VAL  34   2.375  -5.572   2.230
  286   2HG1  VAL  34          2HG1      VAL  34   0.898  -5.306   1.245
  287   3HG1  VAL  34          3HG1      VAL  34   1.760  -3.900   1.960
  288   1HG2  VAL  34          1HG2      VAL  34   0.979  -7.215   3.701
  289   2HG2  VAL  34          2HG2      VAL  34  -0.594  -6.666   4.368
  290   3HG2  VAL  34          3HG2      VAL  34  -0.393  -6.841   2.578
  291    H    PHE  35           H        PHE  35   3.862  -4.229   4.702
  292    HA   PHE  35           HA       PHE  35   3.567  -1.345   4.956
  293   1HB   PHE  35          1HB       PHE  35   5.968  -3.242   5.116
  294   2HB   PHE  35          2HB       PHE  35   6.105  -1.459   5.276
  295    HD1  PHE  35           HD1      PHE  35   5.117  -0.290   7.149
  296    HD2  PHE  35           HD2      PHE  35   4.910  -4.525   6.876
  297    HE1  PHE  35           HE1      PHE  35   4.498  -0.412   9.512
  298    HE2  PHE  35           HE2      PHE  35   4.254  -4.648   9.231
  299    HZ   PHE  35           HZ       PHE  35   4.051  -2.586  10.552
  300    H    VAL  36           H        VAL  36   4.329   0.198   3.681
  301    HA   VAL  36           HA       VAL  36   5.096  -0.596   0.958
  302    HB   VAL  36           HB       VAL  36   3.145   1.591   1.801
  303   1HG1  VAL  36          1HG1      VAL  36   4.036   0.529  -0.976
  304   2HG1  VAL  36          2HG1      VAL  36   2.647   1.632  -0.695
  305   3HG1  VAL  36          3HG1      VAL  36   4.319   2.181  -0.324
  306   1HG2  VAL  36          1HG2      VAL  36   2.628  -1.175   0.526
  307   2HG2  VAL  36          2HG2      VAL  36   2.101  -0.628   2.156
  308   3HG2  VAL  36          3HG2      VAL  36   1.418   0.142   0.678
  309    H    HIS  37           H        HIS  37   6.790   0.418   0.151
  310    HA   HIS  37           HA       HIS  37   7.808   2.817   1.481
  311   1HB   HIS  37          1HB       HIS  37   9.270   0.776   1.093
  312   2HB   HIS  37          2HB       HIS  37   9.047   1.000  -0.640
  313    HD1  HIS  37           HD1      HIS  37  10.912   2.426  -1.699
  314    HD2  HIS  37           HD2      HIS  37  10.711   2.908   2.476
  315    HE1  HIS  37           HE1      HIS  37  12.949   3.759  -0.988
  316    H    GLN  38           H        GLN  38   8.432   4.701   0.128
  317    HA   GLN  38           HA       GLN  38   6.279   5.373  -1.401
  318   1HB   GLN  38          1HB       GLN  38   7.391   7.467  -1.777
  319   2HB   GLN  38          2HB       GLN  38   7.505   6.977  -0.068
  320   1HG   GLN  38          1HG       GLN  38   9.816   6.544  -2.070
  321   2HG   GLN  38          2HG       GLN  38   9.555   8.071  -1.158
  322   1HE2  GLN  38          2HE2      GLN  38  11.963   6.986  -0.758
  323   2HE2  GLN  38          1HE2      GLN  38  11.988   6.311   0.854
  324    H    THR  39           H        THR  39   9.277   3.929  -2.543
  325    HA   THR  39           HA       THR  39   9.053   4.821  -5.199
  326    HB   THR  39           HB       THR  39  10.589   2.933  -5.699
  327    HG1  THR  39           HG1      THR  39  11.191   1.674  -4.168
  328   1HG2  THR  39          1HG2      THR  39  11.436   5.193  -5.089
  329   2HG2  THR  39          2HG2      THR  39  11.374   4.745  -3.327
  330   3HG2  THR  39          3HG2      THR  39  12.492   3.887  -4.432
  331    H    ALA  40           H        ALA  40   7.453   2.263  -3.449
  332    HA   ALA  40           HA       ALA  40   6.925   0.710  -5.793
  333   1HB   ALA  40          1HB       ALA  40   5.845   0.525  -2.909
  334   2HB   ALA  40          2HB       ALA  40   5.669  -0.749  -4.181
  335   3HB   ALA  40          3HB       ALA  40   7.293  -0.310  -3.531
  336    H    ILE  41           H        ILE  41   5.431   3.357  -4.241
  337    HA   ILE  41           HA       ILE  41   2.733   2.826  -4.937
  338    HB   ILE  41           HB       ILE  41   4.139   5.339  -4.026
  339   1HG1  ILE  41          1HG1      ILE  41   2.490   3.262  -2.487
  340   2HG1  ILE  41          2HG1      ILE  41   4.273   3.403  -2.432
  341   1HG2  ILE  41          1HG2      ILE  41   1.122   4.612  -4.162
  342   2HG2  ILE  41          2HG2      ILE  41   1.816   6.103  -3.435
  343   3HG2  ILE  41          3HG2      ILE  41   1.936   5.848  -5.193
  344   1HD1  ILE  41          1HD1      ILE  41   4.001   5.793  -1.568
  345   2HD1  ILE  41          2HD1      ILE  41   2.236   5.466  -1.384
  346   3HD1  ILE  41          3HD1      ILE  41   3.437   4.497  -0.458
  347    H    LYS  42           H        LYS  42   1.853   2.971  -6.888
  348    HA   LYS  42           HA       LYS  42   3.210   4.376  -8.992
  349   1HB   LYS  42          1HB       LYS  42   0.713   2.669  -8.799
  350   2HB   LYS  42          2HB       LYS  42   1.111   3.578 -10.293
  351   1HG   LYS  42          1HG       LYS  42   3.250   2.434 -10.522
  352   2HG   LYS  42          2HG       LYS  42   2.998   1.529  -9.003
  353   1HD   LYS  42          1HD       LYS  42   1.436   0.110  -9.893
  354   2HD   LYS  42          2HD       LYS  42   0.748   1.306 -11.009
  355   1HE   LYS  42          1HE       LYS  42   3.515  -0.012 -11.491
  356   2HE   LYS  42          2HE       LYS  42   1.955  -0.670 -12.114
  357   1HZ   LYS  42          1HZ       LYS  42   1.583   1.490 -13.204
  358   2HZ   LYS  42          2HZ       LYS  42   3.120   2.014 -12.744
  359   3HZ   LYS  42          3HZ       LYS  42   2.967   0.683 -13.751
  360    H    LYS  43           H        LYS  43   3.139   6.581  -8.424
  361    HA   LYS  43           HA       LYS  43   0.542   7.864  -8.387
  362   1HB   LYS  43          1HB       LYS  43   3.295   9.147  -8.705
  363   2HB   LYS  43          2HB       LYS  43   1.741   9.953  -8.312
  364   1HG   LYS  43          1HG       LYS  43   1.719   8.502  -6.152
  365   2HG   LYS  43          2HG       LYS  43   3.412   8.082  -6.561
  366   1HD   LYS  43          1HD       LYS  43   3.777  10.684  -6.781
  367   2HD   LYS  43          2HD       LYS  43   2.169  10.850  -6.036
  368   1HE   LYS  43          1HE       LYS  43   3.639  11.130  -4.205
  369   2HE   LYS  43          2HE       LYS  43   3.132   9.406  -4.042
  370   1HZ   LYS  43          1HZ       LYS  43   5.647  10.407  -5.321
  371   2HZ   LYS  43          2HZ       LYS  43   5.501   9.704  -3.786
  372   3HZ   LYS  43          3HZ       LYS  43   5.216   8.782  -5.158
  373    H    ASN  44           H        ASN  44  -0.520   8.556 -10.190
  374    HA   ASN  44           HA       ASN  44   0.953   8.452 -12.754
  375   1HB   ASN  44          1HB       ASN  44  -1.767   7.247 -11.987
  376   2HB   ASN  44          2HB       ASN  44  -1.302   7.554 -13.695
  377   1HD2  ASN  44          2HD2      ASN  44  -1.683   4.953 -11.969
  378   2HD2  ASN  44          1HD2      ASN  44  -0.342   4.036 -12.596
  379    H    ASN  45           H        ASN  45  -1.726   9.895 -10.911
  380    HA   ASN  45           HA       ASN  45  -2.339  11.488 -13.282
  381   1HB   ASN  45          1HB       ASN  45  -4.003  10.805 -10.796
  382   2HB   ASN  45          2HB       ASN  45  -4.572  11.784 -12.200
  383   1HD2  ASN  45          2HD2      ASN  45  -4.593   8.634 -10.964
  384   2HD2  ASN  45          1HD2      ASN  45  -4.716   7.763 -12.467
  385    HA   PRO  46           HA       PRO  46  -0.945  14.860 -10.747
  386   1HB   PRO  46          1HB       PRO  46  -1.550  17.037 -12.326
  387   2HB   PRO  46          2HB       PRO  46  -0.238  15.849 -12.735
  388   1HG   PRO  46          1HG       PRO  46  -3.127  15.851 -13.796
  389   2HG   PRO  46          2HG       PRO  46  -1.598  15.783 -14.747
  390   1HD   PRO  46          1HD       PRO  46  -2.975  13.484 -14.029
  391   2HD   PRO  46          2HD       PRO  46  -1.146  13.520 -14.005
  392    H    ARG  47           H        ARG  47  -4.266  14.342 -11.565
  393    HA   ARG  47           HA       ARG  47  -5.150  16.621  -9.971
  394   1HB   ARG  47          1HB       ARG  47  -6.669  14.602 -11.703
  395   2HB   ARG  47          2HB       ARG  47  -7.387  16.035 -10.928
  396   1HG   ARG  47          1HG       ARG  47  -5.917  17.525 -12.258
  397   2HG   ARG  47          2HG       ARG  47  -5.209  16.093 -13.091
  398   1HD   ARG  47          1HD       ARG  47  -7.478  15.519 -14.032
  399   2HD   ARG  47          2HD       ARG  47  -8.173  16.956 -13.159
  400    HE   ARG  47           HE       ARG  47  -5.863  17.708 -14.824
  401   1HH1  ARG  47          1HH1      ARG  47  -9.388  16.993 -15.027
  402   2HH1  ARG  47          2HH1      ARG  47  -9.511  17.778 -16.562
  403   1HH2  ARG  47          1HH2      ARG  47  -6.114  18.657 -16.835
  404   2HH2  ARG  47          2HH2      ARG  47  -7.644  18.644 -17.645
  405    H    LYS  48           H        LYS  48  -7.012  16.335  -8.527
  406    HA   LYS  48           HA       LYS  48  -7.707  15.728  -6.646
  407   1HB   LYS  48          1HB       LYS  48  -7.643  12.837  -7.562
  408   2HB   LYS  48          2HB       LYS  48  -8.651  13.550  -6.247
  409   1HG   LYS  48          1HG       LYS  48  -9.724  15.066  -7.953
  410   2HG   LYS  48          2HG       LYS  48  -8.908  14.148  -9.241
  411   1HD   LYS  48          1HD       LYS  48 -10.755  12.969  -7.065
  412   2HD   LYS  48          2HD       LYS  48 -11.322  13.443  -8.685
  413   1HE   LYS  48          1HE       LYS  48  -9.193  11.251  -8.169
  414   2HE   LYS  48          2HE       LYS  48 -10.959  10.947  -8.392
  415   1HZ   LYS  48          1HZ       LYS  48  -9.304  12.413 -10.408
  416   2HZ   LYS  48          2HZ       LYS  48  -9.593  10.738 -10.435
  417   3HZ   LYS  48          3HZ       LYS  48 -10.865  11.848 -10.558
  418    H    TYR  49           H        TYR  49  -7.275  13.227  -5.172
  419    HA   TYR  49           HA       TYR  49  -6.364  12.866  -3.322
  420   1HB   TYR  49          1HB       TYR  49  -4.717  11.872  -5.180
  421   2HB   TYR  49          2HB       TYR  49  -3.535  12.975  -4.412
  422    HD1  TYR  49           HD1      TYR  49  -6.011  10.303  -3.859
  423    HD2  TYR  49           HD2      TYR  49  -2.679  12.353  -2.221
  424    HE1  TYR  49           HE1      TYR  49  -5.962   8.715  -2.008
  425    HE2  TYR  49           HE2      TYR  49  -2.613  10.760  -0.358
  426    HH   TYR  49           HH       TYR  49  -5.071   8.166  -0.082
  427    H    LEU  50           H        LEU  50  -7.171  14.939  -2.579
  428    HA   LEU  50           HA       LEU  50  -5.195  17.010  -2.261
  429   1HB   LEU  50          1HB       LEU  50  -8.132  16.913  -1.412
  430   2HB   LEU  50          2HB       LEU  50  -7.109  18.375  -1.549
  431    HG   LEU  50           HG       LEU  50  -7.988  16.583  -3.876
  432   1HD1  LEU  50          1HD1      LEU  50  -9.844  17.905  -2.862
  433   2HD1  LEU  50          2HD1      LEU  50  -8.881  19.410  -3.030
  434   3HD1  LEU  50          3HD1      LEU  50  -9.418  18.516  -4.503
  435   1HD2  LEU  50          1HD2      LEU  50  -6.373  19.222  -3.857
  436   2HD2  LEU  50          2HD2      LEU  50  -5.769  17.607  -4.379
  437   3HD2  LEU  50          3HD2      LEU  50  -7.058  18.420  -5.323
  438    H    ARG  51           H        ARG  51  -6.794  17.880   0.272
  439    HA   ARG  51           HA       ARG  51  -4.713  16.965   1.980
  440   1HB   ARG  51          1HB       ARG  51  -5.493  19.267   1.965
  441   2HB   ARG  51          2HB       ARG  51  -7.139  18.765   2.414
  442   1HG   ARG  51          1HG       ARG  51  -6.395  18.064   4.631
  443   2HG   ARG  51          2HG       ARG  51  -4.673  18.198   4.185
  444   1HD   ARG  51          1HD       ARG  51  -6.587  20.629   4.232
  445   2HD   ARG  51          2HD       ARG  51  -5.613  20.077   5.656
  446    HE   ARG  51           HE       ARG  51  -3.838  20.266   3.424
  447   1HH1  ARG  51          1HH1      ARG  51  -5.779  22.599   5.363
  448   2HH1  ARG  51          2HH1      ARG  51  -4.609  23.862   5.136
  449   1HH2  ARG  51          1HH2      ARG  51  -2.195  21.886   3.560
  450   2HH2  ARG  51          2HH2      ARG  51  -2.619  23.454   4.153
  451    H    SER  52           H        SER  52  -8.275  16.828   2.309
  452    HA   SER  52           HA       SER  52  -8.093  14.928   4.406
  453   1HB   SER  52          1HB       SER  52 -10.493  15.993   2.842
  454   2HB   SER  52          2HB       SER  52 -10.595  14.949   4.315
  455    HG   SER  52           HG       SER  52 -10.588  17.457   4.316
  456    H    VAL  53           H        VAL  53  -8.915  12.792   4.459
  457    HA   VAL  53           HA       VAL  53  -8.572  11.472   1.862
  458    HB   VAL  53           HB       VAL  53  -7.828   9.517   3.023
  459   1HG1  VAL  53          1HG1      VAL  53  -6.222  11.256   2.227
  460   2HG1  VAL  53          2HG1      VAL  53  -6.302  12.069   3.841
  461   3HG1  VAL  53          3HG1      VAL  53  -5.633  10.405   3.697
  462   1HG2  VAL  53          1HG2      VAL  53  -9.066   9.824   5.207
  463   2HG2  VAL  53          2HG2      VAL  53  -7.312   9.601   5.452
  464   3HG2  VAL  53          3HG2      VAL  53  -8.015  11.249   5.585
  465    H    GLY  54           H        GLY  54  -9.689   9.494   1.447
  466   1HA   GLY  54          1HA       GLY  54 -11.678   8.501   1.142
  467   2HA   GLY  54          2HA       GLY  54 -12.436   9.550   2.400
  468    H    ASP  55           H        ASP  55 -13.377   7.871   3.690
  469    HA   ASP  55           HA       ASP  55 -11.441   6.580   5.310
  470   1HB   ASP  55          1HB       ASP  55 -13.247   5.860   6.716
  471   2HB   ASP  55          2HB       ASP  55 -13.305   7.626   6.389
  472    H    GLY  56           H        GLY  56 -10.501   4.743   5.064
  473   1HA   GLY  56          1HA       GLY  56 -11.732   2.406   4.250
  474   2HA   GLY  56          2HA       GLY  56  -9.985   2.759   4.392
  475    H    GLU  57           H        GLU  57  -9.300   4.352   2.355
  476    HA   GLU  57           HA       GLU  57 -10.659   3.572  -0.007
  477   1HB   GLU  57          1HB       GLU  57  -9.344   4.965  -1.222
  478   2HB   GLU  57          2HB       GLU  57  -9.494   5.771   0.357
  479   1HG   GLU  57          1HG       GLU  57  -7.192   5.033   0.992
  480   2HG   GLU  57          2HG       GLU  57  -7.028   4.118  -0.545
  481    H    THR  58           H        THR  58  -9.858   2.419  -1.823
  482    HA   THR  58           HA       THR  58  -8.463   0.059  -0.844
  483    HB   THR  58           HB       THR  58  -9.734   0.149  -3.553
  484    HG1  THR  58           HG1      THR  58 -11.634  -0.425  -2.666
  485   1HG2  THR  58          1HG2      THR  58  -9.428  -2.034  -1.359
  486   2HG2  THR  58          2HG2      THR  58 -10.243  -2.249  -2.949
  487   3HG2  THR  58          3HG2      THR  58  -8.484  -1.925  -2.883
  488    H    VAL  59           H        VAL  59  -6.809  -0.912  -1.909
  489    HA   VAL  59           HA       VAL  59  -5.619   0.316  -4.231
  490    HB   VAL  59           HB       VAL  59  -3.330   0.177  -3.212
  491   1HG1  VAL  59          1HG1      VAL  59  -4.483   2.343  -3.629
  492   2HG1  VAL  59          2HG1      VAL  59  -5.237   2.271  -1.994
  493   3HG1  VAL  59          3HG1      VAL  59  -3.451   2.393  -2.152
  494   1HG2  VAL  59          1HG2      VAL  59  -4.006  -1.238  -1.199
  495   2HG2  VAL  59          2HG2      VAL  59  -3.138   0.278  -0.757
  496   3HG2  VAL  59          3HG2      VAL  59  -4.925   0.168  -0.547
  497    H    GLU  60           H        GLU  60  -3.887  -1.109  -5.092
  498    HA   GLU  60           HA       GLU  60  -4.188  -3.904  -4.267
  499   1HB   GLU  60          1HB       GLU  60  -3.434  -4.540  -6.563
  500   2HB   GLU  60          2HB       GLU  60  -5.061  -3.771  -6.580
  501   1HG   GLU  60          1HG       GLU  60  -3.707  -1.574  -7.181
  502   2HG   GLU  60          2HG       GLU  60  -2.334  -2.692  -7.509
  503    H    PHE  61           H        PHE  61  -2.386  -5.170  -4.320
  504    HA   PHE  61           HA       PHE  61   0.195  -4.058  -4.826
  505   1HB   PHE  61          1HB       PHE  61   0.957  -4.390  -2.337
  506   2HB   PHE  61          2HB       PHE  61   0.023  -2.927  -2.736
  507    HD1  PHE  61           HD1      PHE  61  -0.252  -6.304  -1.241
  508    HD2  PHE  61           HD2      PHE  61  -2.079  -2.542  -1.888
  509    HE1  PHE  61           HE1      PHE  61  -2.047  -6.920   0.313
  510    HE2  PHE  61           HE2      PHE  61  -3.946  -3.189  -0.407
  511    HZ   PHE  61           HZ       PHE  61  -3.915  -5.370   0.711
  512    H    ASP  62           H        ASP  62   1.967  -5.652  -4.062
  513    HA   ASP  62           HA       ASP  62   0.960  -8.408  -4.100
  514   1HB   ASP  62          1HB       ASP  62   3.805  -7.225  -4.126
  515   2HB   ASP  62          2HB       ASP  62   3.428  -8.981  -4.143
  516    H    VAL  63           H        VAL  63   1.505  -9.856  -2.249
  517    HA   VAL  63           HA       VAL  63   2.155  -8.331   0.202
  518    HB   VAL  63           HB       VAL  63   0.656 -10.966  -0.005
  519   1HG1  VAL  63          1HG1      VAL  63   1.311  -9.035   2.335
  520   2HG1  VAL  63          2HG1      VAL  63   0.240 -10.459   2.476
  521   3HG1  VAL  63          3HG1      VAL  63   1.990 -10.691   2.137
  522   1HG2  VAL  63          1HG2      VAL  63  -0.743  -8.947  -0.790
  523   2HG2  VAL  63          2HG2      VAL  63  -1.326  -9.788   0.694
  524   3HG2  VAL  63          3HG2      VAL  63  -0.437  -8.223   0.842
  525    H    VAL  64           H        VAL  64   4.460  -8.597   0.303
  526    HA   VAL  64           HA       VAL  64   5.341 -11.362  -0.038
  527    HB   VAL  64           HB       VAL  64   7.327 -10.214  -1.220
  528   1HG1  VAL  64          1HG1      VAL  64   5.696 -11.857  -2.284
  529   2HG1  VAL  64          2HG1      VAL  64   4.549 -10.517  -2.562
  530   3HG1  VAL  64          3HG1      VAL  64   6.125 -10.511  -3.415
  531   1HG2  VAL  64          1HG2      VAL  64   6.440  -7.830  -0.766
  532   2HG2  VAL  64          2HG2      VAL  64   6.753  -8.198  -2.505
  533   3HG2  VAL  64          3HG2      VAL  64   5.076  -8.190  -1.882
  534    H    GLU  65           H        GLU  65   6.776 -12.067   1.502
  535    HA   GLU  65           HA       GLU  65   6.888 -10.165   3.680
  536   1HB   GLU  65          1HB       GLU  65   5.770 -12.468   3.747
  537   2HB   GLU  65          2HB       GLU  65   7.423 -13.122   3.921
  538   1HG   GLU  65          1HG       GLU  65   7.681 -11.637   6.014
  539   2HG   GLU  65          2HG       GLU  65   6.002 -11.062   5.747
  540    H    GLY  66           H        GLY  66   8.585  -9.820   5.053
  541   1HA   GLY  66          1HA       GLY  66  11.000  -9.188   4.245
  542   2HA   GLY  66          2HA       GLY  66  11.155 -10.971   4.441
  543    H    GLU  67           H        GLU  67  10.000  -8.088   6.202
  544    HA   GLU  67           HA       GLU  67  11.487  -8.818   8.491
  545   1HB   GLU  67          1HB       GLU  67  10.764  -6.628   9.327
  546   2HB   GLU  67          2HB       GLU  67  11.290  -6.570   7.628
  547   1HG   GLU  67          1HG       GLU  67   8.683  -6.773   7.032
  548   2HG   GLU  67          2HG       GLU  67   8.442  -6.245   8.721
  549    H    LYS  68           H        LYS  68   9.440  -7.601  10.337
  550    HA   LYS  68           HA       LYS  68   8.459  -9.923  11.437
  551   1HB   LYS  68          1HB       LYS  68   7.311  -8.422  12.998
  552   2HB   LYS  68          2HB       LYS  68   8.969  -7.861  12.673
  553   1HG   LYS  68          1HG       LYS  68   8.071  -6.135  11.071
  554   2HG   LYS  68          2HG       LYS  68   6.400  -6.678  11.430
  555   1HD   LYS  68          1HD       LYS  68   6.710  -6.113  13.829
  556   2HD   LYS  68          2HD       LYS  68   8.398  -5.610  13.494
  557   1HE   LYS  68          1HE       LYS  68   7.555  -3.765  12.000
  558   2HE   LYS  68          2HE       LYS  68   5.855  -4.255  12.362
  559   1HZ   LYS  68          1HZ       LYS  68   7.849  -3.399  14.414
  560   2HZ   LYS  68          2HZ       LYS  68   6.709  -2.405  13.715
  561   3HZ   LYS  68          3HZ       LYS  68   6.187  -3.712  14.642
  562    H    GLY  69           H        GLY  69   7.117  -8.132   8.918
  563   1HA   GLY  69          1HA       GLY  69   4.495  -8.119   8.880
  564   2HA   GLY  69          2HA       GLY  69   4.871  -9.877   8.691
  565    H    ALA  70           H        ALA  70   3.594  -8.573   6.566
  566    HA   ALA  70           HA       ALA  70   5.703  -8.880   4.618
  567   1HB   ALA  70          1HB       ALA  70   2.669  -8.686   4.315
  568   2HB   ALA  70          2HB       ALA  70   3.834  -9.120   3.005
  569   3HB   ALA  70          3HB       ALA  70   3.620 -10.205   4.422
  570    H    GLU  71           H        GLU  71   5.803  -7.696   2.639
  571    HA   GLU  71           HA       GLU  71   5.070  -4.880   2.937
  572   1HB   GLU  71          1HB       GLU  71   7.090  -4.230   1.833
  573   2HB   GLU  71          2HB       GLU  71   7.470  -5.209   3.294
  574   1HG   GLU  71          1HG       GLU  71   8.067  -7.157   1.961
  575   2HG   GLU  71          2HG       GLU  71   7.553  -6.343   0.439
  576    H    ALA  72           H        ALA  72   5.723  -4.033   0.450
  577    HA   ALA  72           HA       ALA  72   3.898  -5.581  -1.277
  578   1HB   ALA  72          1HB       ALA  72   2.504  -4.041  -0.035
  579   2HB   ALA  72          2HB       ALA  72   2.712  -3.376  -1.685
  580   3HB   ALA  72          3HB       ALA  72   3.677  -2.693  -0.307
  581    H    ALA  73           H        ALA  73   3.825  -4.997  -3.398
  582    HA   ALA  73           HA       ALA  73   5.856  -3.232  -4.509
  583   1HB   ALA  73          1HB       ALA  73   6.777  -5.592  -4.652
  584   2HB   ALA  73          2HB       ALA  73   5.255  -6.114  -5.455
  585   3HB   ALA  73          3HB       ALA  73   6.347  -4.952  -6.291
  586    H    ASN  74           H        ASN  74   5.200  -2.813  -6.844
  587    HA   ASN  74           HA       ASN  74   3.725  -1.555  -7.877
  588   1HB   ASN  74          1HB       ASN  74   2.252  -2.999  -9.375
  589   2HB   ASN  74          2HB       ASN  74   4.025  -3.187  -9.389
  590   1HD2  ASN  74          2HD2      ASN  74   1.404  -4.557  -7.294
  591   2HD2  ASN  74          1HD2      ASN  74   2.017  -6.180  -7.380
  592    H    VAL  75           H        VAL  75   2.932  -0.470  -5.929
  593    HA   VAL  75           HA       VAL  75   0.334  -1.279  -5.077
  594    HB   VAL  75           HB       VAL  75   2.030   1.008  -4.074
  595   1HG1  VAL  75          1HG1      VAL  75  -0.328  -0.642  -2.916
  596   2HG1  VAL  75          2HG1      VAL  75   0.626   0.588  -2.012
  597   3HG1  VAL  75          3HG1      VAL  75  -0.401   1.085  -3.405
  598   1HG2  VAL  75          1HG2      VAL  75   1.989  -1.988  -3.339
  599   2HG2  VAL  75          2HG2      VAL  75   3.398  -1.007  -3.877
  600   3HG2  VAL  75          3HG2      VAL  75   2.643  -0.694  -2.271
  601    H    THR  76           H        THR  76  -1.207  -0.725  -6.525
  602    HA   THR  76           HA       THR  76  -1.226   2.021  -7.543
  603    HB   THR  76           HB       THR  76  -3.005  -0.071  -8.748
  604    HG1  THR  76           HG1      THR  76  -1.380  -0.660 -10.098
  605   1HG2  THR  76          1HG2      THR  76  -1.266   2.279  -9.834
  606   2HG2  THR  76          2HG2      THR  76  -2.377   1.239 -10.798
  607   3HG2  THR  76          3HG2      THR  76  -3.048   2.331  -9.553
  608    H    GLY  77           H        GLY  77  -3.240   3.132  -7.730
  609   1HA   GLY  77          1HA       GLY  77  -4.985   3.580  -5.955
  610   2HA   GLY  77          2HA       GLY  77  -5.504   1.903  -6.383
  611    HA   PRO  78           HA       PRO  78  -7.360   3.873  -9.917
  612   1HB   PRO  78          1HB       PRO  78 -10.016   3.712  -9.306
  613   2HB   PRO  78          2HB       PRO  78  -9.039   2.208  -9.463
  614   1HG   PRO  78          1HG       PRO  78  -9.716   3.708  -6.859
  615   2HG   PRO  78          2HG       PRO  78  -9.977   1.946  -7.222
  616   1HD   PRO  78          1HD       PRO  78  -7.701   2.975  -5.940
  617   2HD   PRO  78          2HD       PRO  78  -7.629   1.486  -6.979
  618    H    GLY  79           H        GLY  79  -9.077   5.734 -10.335
  619   1HA   GLY  79          1HA       GLY  79  -8.281   8.017  -8.851
  620   2HA   GLY  79          2HA       GLY  79  -9.910   7.392  -8.372

  No H/Q in entry =         620
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -0.717 -19.347   2.710
    2    H2   MET   1           H2       MET   1  -0.098 -20.846   2.244
    3    H3   MET   1           H3       MET   1  -0.716 -20.633   3.792
    4    HA   MET   1           HA       MET   1   1.564 -20.653   4.053
    5   1HB   MET   1          1HB       MET   1   1.922 -20.271   1.548
    6   2HB   MET   1          2HB       MET   1   1.718 -18.517   1.854
    7   1HG   MET   1          1HG       MET   1   3.758 -18.608   3.340
    8   2HG   MET   1          2HG       MET   1   3.882 -20.359   3.038
    9   1HE   MET   1          1HE       MET   1   6.229 -18.539   2.789
   10   2HE   MET   1          2HE       MET   1   6.228 -20.286   2.372
   11   3HE   MET   1          3HE       MET   1   6.972 -19.100   1.253
   12    H    LYS   2           H        LYS   2   2.672 -19.353   5.646
   13    HA   LYS   2           HA       LYS   2   1.134 -17.151   6.637
   14   1HB   LYS   2          1HB       LYS   2   2.232 -18.817   8.151
   15   2HB   LYS   2          2HB       LYS   2   3.824 -18.303   7.540
   16   1HG   LYS   2          1HG       LYS   2   3.297 -15.943   8.385
   17   2HG   LYS   2          2HG       LYS   2   1.766 -16.581   9.061
   18   1HD   LYS   2          1HD       LYS   2   3.108 -18.192  10.465
   19   2HD   LYS   2          2HD       LYS   2   4.617 -17.535   9.780
   20   1HE   LYS   2          1HE       LYS   2   2.561 -15.958  11.477
   21   2HE   LYS   2          2HE       LYS   2   4.159 -16.598  12.042
   22   1HZ   LYS   2          1HZ       LYS   2   5.178 -15.222  10.272
   23   2HZ   LYS   2          2HZ       LYS   2   3.696 -14.448  10.013
   24   3HZ   LYS   2          3HZ       LYS   2   4.461 -14.350  11.511
   25    H    LYS   3           H        LYS   3   4.472 -17.575   5.375
   26    HA   LYS   3           HA       LYS   3   5.095 -14.931   5.863
   27   1HB   LYS   3          1HB       LYS   3   6.570 -16.843   3.988
   28   2HB   LYS   3          2HB       LYS   3   7.193 -15.356   4.759
   29   1HG   LYS   3          1HG       LYS   3   6.679 -16.448   7.027
   30   2HG   LYS   3          2HG       LYS   3   6.400 -17.985   6.138
   31   1HD   LYS   3          1HD       LYS   3   8.724 -17.776   5.136
   32   2HD   LYS   3          2HD       LYS   3   8.942 -16.268   6.070
   33   1HE   LYS   3          1HE       LYS   3   8.596 -17.644   8.223
   34   2HE   LYS   3          2HE       LYS   3   8.652 -19.138   7.196
   35   1HZ   LYS   3          1HZ       LYS   3  10.749 -17.022   7.297
   36   2HZ   LYS   3          2HZ       LYS   3  10.861 -18.492   8.099
   37   3HZ   LYS   3          3HZ       LYS   3  10.816 -18.455   6.406
   38    H    VAL   4           H        VAL   4   4.990 -16.356   2.548
   39    HA   VAL   4           HA       VAL   4   4.585 -13.659   1.503
   40    HB   VAL   4           HB       VAL   4   5.198 -16.284   0.092
   41   1HG1  VAL   4          1HG1      VAL   4   5.255 -13.311  -0.773
   42   2HG1  VAL   4          2HG1      VAL   4   5.895 -14.665  -1.758
   43   3HG1  VAL   4          3HG1      VAL   4   4.125 -14.566  -1.415
   44   1HG2  VAL   4          1HG2      VAL   4   7.097 -15.575   1.648
   45   2HG2  VAL   4          2HG2      VAL   4   7.512 -15.473  -0.089
   46   3HG2  VAL   4          3HG2      VAL   4   7.117 -13.980   0.797
   47    H    ILE   5           H        ILE   5   2.282 -13.133   1.430
   48    HA   ILE   5           HA       ILE   5   0.607 -15.469   1.518
   49    HB   ILE   5           HB       ILE   5  -0.150 -12.564   1.783
   50   1HG1  ILE   5          1HG1      ILE   5  -0.520 -13.684   4.228
   51   2HG1  ILE   5          2HG1      ILE   5   0.839 -14.707   3.706
   52   1HG2  ILE   5          1HG2      ILE   5  -1.616 -15.239   2.298
   53   2HG2  ILE   5          2HG2      ILE   5  -2.212 -13.622   2.799
   54   3HG2  ILE   5          3HG2      ILE   5  -2.057 -14.007   1.053
   55   1HD1  ILE   5          1HD1      ILE   5   2.128 -12.471   3.218
   56   2HD1  ILE   5          2HD1      ILE   5   0.738 -11.636   4.024
   57   3HD1  ILE   5          3HD1      ILE   5   1.748 -12.804   4.944
   58    H    ALA   6           H        ALA   6   0.906 -12.578  -0.562
   59    HA   ALA   6           HA       ALA   6  -0.019 -14.168  -2.788
   60   1HB   ALA   6          1HB       ALA   6  -2.176 -12.817  -3.100
   61   2HB   ALA   6          2HB       ALA   6  -1.852 -12.077  -1.476
   62   3HB   ALA   6          3HB       ALA   6  -2.190 -13.835  -1.613
   63    H    THR   7           H        THR   7  -0.180 -13.124  -4.809
   64    HA   THR   7           HA       THR   7   0.801 -10.367  -4.902
   65    HB   THR   7           HB       THR   7   1.563 -10.815  -7.198
   66    HG1  THR   7           HG1      THR   7   2.017 -13.011  -7.611
   67   1HG2  THR   7          1HG2      THR   7   3.106 -10.805  -5.193
   68   2HG2  THR   7          2HG2      THR   7   2.851 -12.575  -4.993
   69   3HG2  THR   7          3HG2      THR   7   3.654 -11.943  -6.475
   70    H    LYS   8           H        LYS   8  -0.197  -9.015  -6.366
   71    HA   LYS   8           HA       LYS   8  -1.965  -7.909  -6.842
   72   1HB   LYS   8          1HB       LYS   8  -3.057 -10.318  -8.304
   73   2HB   LYS   8          2HB       LYS   8  -3.521  -8.610  -8.520
   74   1HG   LYS   8          1HG       LYS   8  -0.905 -10.004  -9.251
   75   2HG   LYS   8          2HG       LYS   8  -2.113  -9.293 -10.352
   76   1HD   LYS   8          1HD       LYS   8  -0.201  -7.802  -8.460
   77   2HD   LYS   8          2HD       LYS   8  -0.051  -7.970 -10.231
   78   1HE   LYS   8          1HE       LYS   8  -2.068  -6.561 -10.604
   79   2HE   LYS   8          2HE       LYS   8  -2.321  -6.409  -8.818
   80   1HZ   LYS   8          1HZ       LYS   8  -0.108  -5.418  -8.658
   81   2HZ   LYS   8          2HZ       LYS   8   0.098  -5.513 -10.319
   82   3HZ   LYS   8          3HZ       LYS   8  -1.113  -4.525  -9.704
   83    H    VAL   9           H        VAL   9  -2.653  -7.417  -4.888
   84    HA   VAL   9           HA       VAL   9  -4.844  -8.976  -3.735
   85    HB   VAL   9           HB       VAL   9  -2.450  -7.570  -2.458
   86   1HG1  VAL   9          1HG1      VAL   9  -4.816  -9.142  -1.245
   87   2HG1  VAL   9          2HG1      VAL   9  -3.313  -8.722  -0.339
   88   3HG1  VAL   9          3HG1      VAL   9  -4.398  -7.416  -0.929
   89   1HG2  VAL   9          1HG2      VAL   9  -3.164 -10.559  -2.764
   90   2HG2  VAL   9          2HG2      VAL   9  -1.790  -9.702  -3.571
   91   3HG2  VAL   9          3HG2      VAL   9  -1.786  -9.917  -1.796
   92    H    LEU  10           H        LEU  10  -6.463  -7.737  -2.773
   93    HA   LEU  10           HA       LEU  10  -6.221  -4.826  -3.143
   94   1HB   LEU  10          1HB       LEU  10  -8.593  -6.711  -3.270
   95   2HB   LEU  10          2HB       LEU  10  -8.836  -5.006  -2.804
   96    HG   LEU  10           HG       LEU  10  -9.329  -5.363  -5.138
   97   1HD1  LEU  10          1HD1      LEU  10  -8.477  -3.128  -4.347
   98   2HD1  LEU  10          2HD1      LEU  10  -6.806  -3.622  -4.817
   99   3HD1  LEU  10          3HD1      LEU  10  -8.070  -3.455  -6.077
  100   1HD2  LEU  10          1HD2      LEU  10  -7.631  -7.208  -5.624
  101   2HD2  LEU  10          2HD2      LEU  10  -7.647  -5.877  -6.857
  102   3HD2  LEU  10          3HD2      LEU  10  -6.347  -5.956  -5.622
  103    H    GLY  11           H        GLY  11  -6.804  -3.444  -1.524
  104   1HA   GLY  11          1HA       GLY  11  -5.936  -4.015   0.958
  105   2HA   GLY  11          2HA       GLY  11  -7.704  -4.387   0.993
  106    H    THR  12           H        THR  12  -7.018  -2.567   2.700
  107    HA   THR  12           HA       THR  12  -8.075  -0.095   1.485
  108    HB   THR  12           HB       THR  12  -8.485  -1.257   4.272
  109    HG1  THR  12           HG1      THR  12 -10.472  -1.623   3.638
  110   1HG2  THR  12          1HG2      THR  12  -9.624   1.266   2.872
  111   2HG2  THR  12          2HG2      THR  12 -10.232   0.596   4.433
  112   3HG2  THR  12          3HG2      THR  12  -8.579   1.250   4.353
  113    H    VAL  13           H        VAL  13  -6.983   1.808   1.902
  114    HA   VAL  13           HA       VAL  13  -4.612   1.642   3.556
  115    HB   VAL  13           HB       VAL  13  -5.824   3.971   2.047
  116   1HG1  VAL  13          1HG1      VAL  13  -3.067   3.554   3.407
  117   2HG1  VAL  13          2HG1      VAL  13  -3.497   4.919   2.321
  118   3HG1  VAL  13          3HG1      VAL  13  -4.326   4.748   3.899
  119   1HG2  VAL  13          1HG2      VAL  13  -3.572   1.968   1.336
  120   2HG2  VAL  13          2HG2      VAL  13  -5.157   2.151   0.491
  121   3HG2  VAL  13          3HG2      VAL  13  -3.952   3.475   0.430
  122    H    LYS  14           H        LYS  14  -4.605   2.119   5.728
  123    HA   LYS  14           HA       LYS  14  -6.943   3.487   6.840
  124   1HB   LYS  14          1HB       LYS  14  -4.623   2.042   8.226
  125   2HB   LYS  14          2HB       LYS  14  -6.068   2.740   9.008
  126   1HG   LYS  14          1HG       LYS  14  -7.507   1.065   7.826
  127   2HG   LYS  14          2HG       LYS  14  -6.073   0.439   6.964
  128   1HD   LYS  14          1HD       LYS  14  -6.475  -1.078   8.740
  129   2HD   LYS  14          2HD       LYS  14  -5.015  -0.138   9.197
  130   1HE   LYS  14          1HE       LYS  14  -6.482   1.266  10.755
  131   2HE   LYS  14          2HE       LYS  14  -7.905   0.276  10.231
  132   1HZ   LYS  14          1HZ       LYS  14  -6.528  -1.714  11.024
  133   2HZ   LYS  14          2HZ       LYS  14  -5.497  -0.613  11.743
  134   3HZ   LYS  14          3HZ       LYS  14  -7.129  -0.686  12.197
  135    H    TRP  15           H        TRP  15  -3.378   3.443   7.054
  136    HA   TRP  15           HA       TRP  15  -3.334   6.342   7.230
  137   1HB   TRP  15          1HB       TRP  15  -3.622   5.674   9.566
  138   2HB   TRP  15          2HB       TRP  15  -2.421   4.364   9.379
  139    HD1  TRP  15           HD1      TRP  15  -0.396   4.948  10.809
  140    HE1  TRP  15           HE1      TRP  15   1.196   6.953  10.981
  141    HE3  TRP  15           HE3      TRP  15  -3.114   8.328   8.149
  142    HZ2  TRP  15           HZ2      TRP  15   1.203   9.661  10.207
  143    HZ3  TRP  15           HZ3      TRP  15  -2.268  10.597   7.920
  144    HH2  TRP  15           HH2      TRP  15  -0.148  11.270   8.928
  145    H    PHE  16           H        PHE  16  -2.320   6.489   5.274
  146    HA   PHE  16           HA       PHE  16   0.384   5.361   5.179
  147   1HB   PHE  16          1HB       PHE  16  -1.077   5.011   3.165
  148   2HB   PHE  16          2HB       PHE  16  -1.214   6.784   2.980
  149    HD1  PHE  16           HD1      PHE  16   1.005   3.866   2.663
  150    HD2  PHE  16           HD2      PHE  16   0.676   8.079   2.316
  151    HE1  PHE  16           HE1      PHE  16   3.071   3.919   1.328
  152    HE2  PHE  16           HE2      PHE  16   2.753   8.140   1.000
  153    HZ   PHE  16           HZ       PHE  16   3.946   6.052   0.506
  154    H    ASN  17           H        ASN  17   2.121   6.651   5.570
  155    HA   ASN  17           HA       ASN  17   1.466   9.400   6.326
  156   1HB   ASN  17          1HB       ASN  17   2.396   7.978   8.108
  157   2HB   ASN  17          2HB       ASN  17   3.771   7.524   7.043
  158   1HD2  ASN  17          2HD2      ASN  17   5.569   8.595   7.512
  159   2HD2  ASN  17          1HD2      ASN  17   5.692  10.213   8.164
  160    H    VAL  18           H        VAL  18   1.724  10.770   4.677
  161    HA   VAL  18           HA       VAL  18   3.383  10.146   2.462
  162    HB   VAL  18           HB       VAL  18   1.799  12.649   3.134
  163   1HG1  VAL  18          1HG1      VAL  18   2.935  11.535   0.465
  164   2HG1  VAL  18          2HG1      VAL  18   1.764  12.891   0.600
  165   3HG1  VAL  18          3HG1      VAL  18   3.413  13.080   1.279
  166   1HG2  VAL  18          1HG2      VAL  18   1.027  10.107   1.552
  167   2HG2  VAL  18          2HG2      VAL  18   0.296  10.638   3.120
  168   3HG2  VAL  18          3HG2      VAL  18   0.055  11.609   1.638
  169    H    ARG  19           H        ARG  19   3.664  12.185   5.295
  170    HA   ARG  19           HA       ARG  19   5.620  13.904   4.397
  171   1HB   ARG  19          1HB       ARG  19   4.961  12.822   7.176
  172   2HB   ARG  19          2HB       ARG  19   6.179  14.096   6.870
  173   1HG   ARG  19          1HG       ARG  19   4.475  15.519   5.744
  174   2HG   ARG  19          2HG       ARG  19   3.214  14.297   6.053
  175   1HD   ARG  19          1HD       ARG  19   3.109  16.192   7.679
  176   2HD   ARG  19          2HD       ARG  19   3.452  14.620   8.510
  177    HE   ARG  19           HE       ARG  19   5.823  16.268   7.632
  178   1HH1  ARG  19          1HH1      ARG  19   3.839  15.188  10.419
  179   2HH1  ARG  19          2HH1      ARG  19   5.017  15.590  11.565
  180   1HH2  ARG  19          1HH2      ARG  19   7.480  16.238   9.108
  181   2HH2  ARG  19          2HH2      ARG  19   7.174  16.278  10.795
  182    H    ASN  20           H        ASN  20   6.172  10.776   6.139
  183    HA   ASN  20           HA       ASN  20   8.944  10.869   5.335
  184   1HB   ASN  20          1HB       ASN  20   8.137   9.738   7.473
  185   2HB   ASN  20          2HB       ASN  20   7.368   8.481   6.443
  186   1HD2  ASN  20          2HD2      ASN  20  10.602  10.185   6.824
  187   2HD2  ASN  20          1HD2      ASN  20  11.523   8.727   6.602
  188    H    GLY  21           H        GLY  21   5.971   9.162   4.344
  189   1HA   GLY  21          1HA       GLY  21   7.224   8.668   1.732
  190   2HA   GLY  21          2HA       GLY  21   5.476   8.688   2.146
  191    H    TYR  22           H        TYR  22   5.138   7.094   4.151
  192    HA   TYR  22           HA       TYR  22   6.155   4.464   3.543
  193   1HB   TYR  22          1HB       TYR  22   7.976   5.706   4.867
  194   2HB   TYR  22          2HB       TYR  22   6.778   6.008   6.155
  195    HD1  TYR  22           HD1      TYR  22   8.605   3.366   4.299
  196    HD2  TYR  22           HD2      TYR  22   6.457   4.396   7.811
  197    HE1  TYR  22           HE1      TYR  22   9.380   1.316   5.356
  198    HE2  TYR  22           HE2      TYR  22   7.261   2.350   8.908
  199    HH   TYR  22           HH       TYR  22   9.464   0.133   7.228
  200    H    GLY  23           H        GLY  23   4.880   2.854   4.670
  201   1HA   GLY  23          1HA       GLY  23   2.355   3.766   5.642
  202   2HA   GLY  23          2HA       GLY  23   3.516   3.269   6.943
  203    H    PHE  24           H        PHE  24   0.919   2.034   6.138
  204    HA   PHE  24           HA       PHE  24   1.838  -0.399   4.864
  205   1HB   PHE  24          1HB       PHE  24   0.880  -1.869   6.626
  206   2HB   PHE  24          2HB       PHE  24   2.258  -0.897   7.221
  207    HD1  PHE  24           HD1      PHE  24   1.903   0.999   8.704
  208    HD2  PHE  24           HD2      PHE  24  -1.300  -1.502   7.503
  209    HE1  PHE  24           HE1      PHE  24   0.542   1.884  10.534
  210    HE2  PHE  24           HE2      PHE  24  -2.674  -0.644   9.344
  211    HZ   PHE  24           HZ       PHE  24  -1.755   1.053  10.866
  212    H    ILE  25           H        ILE  25   0.066  -1.856   4.306
  213    HA   ILE  25           HA       ILE  25  -2.469  -0.410   3.918
  214    HB   ILE  25           HB       ILE  25  -1.899  -3.037   2.591
  215   1HG1  ILE  25          1HG1      ILE  25   0.116  -1.669   2.008
  216   2HG1  ILE  25          2HG1      ILE  25  -0.950  -2.045   0.644
  217   1HG2  ILE  25          1HG2      ILE  25  -3.663  -0.563   2.106
  218   2HG2  ILE  25          2HG2      ILE  25  -3.318  -1.723   0.804
  219   3HG2  ILE  25          3HG2      ILE  25  -4.155  -2.291   2.290
  220   1HD1  ILE  25          1HD1      ILE  25  -0.929   0.681   2.100
  221   2HD1  ILE  25          2HD1      ILE  25  -0.094   0.299   0.553
  222   3HD1  ILE  25          3HD1      ILE  25  -1.887   0.262   0.631
  223    H    ASN  26           H        ASN  26  -4.469  -1.571   4.445
  224    HA   ASN  26           HA       ASN  26  -4.060  -3.895   6.170
  225   1HB   ASN  26          1HB       ASN  26  -5.612  -1.957   6.830
  226   2HB   ASN  26          2HB       ASN  26  -6.670  -2.427   5.460
  227   1HD2  ASN  26          2HD2      ASN  26  -4.957  -3.872   8.337
  228   2HD2  ASN  26          1HD2      ASN  26  -6.336  -4.803   8.854
  229    H    ARG  27           H        ARG  27  -3.489  -5.592   4.766
  230    HA   ARG  27           HA       ARG  27  -5.326  -6.389   2.746
  231   1HB   ARG  27          1HB       ARG  27  -3.277  -7.501   2.633
  232   2HB   ARG  27          2HB       ARG  27  -3.154  -7.681   4.407
  233   1HG   ARG  27          1HG       ARG  27  -4.744  -9.456   4.488
  234   2HG   ARG  27          2HG       ARG  27  -5.323  -9.124   2.819
  235   1HD   ARG  27          1HD       ARG  27  -3.070  -9.907   1.929
  236   2HD   ARG  27          2HD       ARG  27  -2.591 -10.350   3.615
  237    HE   ARG  27           HE       ARG  27  -4.174 -12.173   3.556
  238   1HH1  ARG  27          1HH1      ARG  27  -4.828 -13.875   2.396
  239   2HH1  ARG  27          2HH1      ARG  27  -5.225 -13.744   0.708
  240   1HH2  ARG  27          1HH2      ARG  27  -5.157 -10.252   0.721
  241   2HH2  ARG  27          2HH2      ARG  27  -5.195 -11.617  -0.292
  242    H    ASN  28           H        ASN  28  -7.395  -6.776   3.065
  243    HA   ASN  28           HA       ASN  28  -8.464  -6.564   5.593
  244   1HB   ASN  28          1HB       ASN  28 -10.671  -7.037   4.469
  245   2HB   ASN  28          2HB       ASN  28  -9.696  -5.692   3.810
  246   1HD2  ASN  28          2HD2      ASN  28  -9.713  -5.626   1.597
  247   2HD2  ASN  28          1HD2      ASN  28  -9.723  -7.009   0.559
  248    H    ASP  29           H        ASP  29  -7.869  -9.449   3.743
  249    HA   ASP  29           HA       ASP  29  -9.545 -11.213   4.642
  250   1HB   ASP  29          1HB       ASP  29  -7.685 -11.319   2.877
  251   2HB   ASP  29          2HB       ASP  29  -6.545 -11.768   4.203
  252    H    THR  30           H        THR  30  -6.455 -10.683   6.533
  253    HA   THR  30           HA       THR  30  -7.992 -11.551   8.784
  254    HB   THR  30           HB       THR  30  -7.163 -13.686   7.938
  255    HG1  THR  30           HG1      THR  30  -7.456 -13.547  10.065
  256   1HG2  THR  30          1HG2      THR  30  -4.989 -12.804   6.923
  257   2HG2  THR  30          2HG2      THR  30  -4.347 -12.620   8.609
  258   3HG2  THR  30          3HG2      THR  30  -4.799 -14.247   7.984
  259    H    LYS  31           H        LYS  31  -7.158  -9.178   7.723
  260    HA   LYS  31           HA       LYS  31  -6.201  -7.285   8.244
  261   1HB   LYS  31          1HB       LYS  31  -6.478  -8.565  10.976
  262   2HB   LYS  31          2HB       LYS  31  -6.064  -6.841  10.712
  263   1HG   LYS  31          1HG       LYS  31  -8.306  -6.768  11.173
  264   2HG   LYS  31          2HG       LYS  31  -8.226  -6.585   9.396
  265   1HD   LYS  31          1HD       LYS  31  -8.906  -8.974   9.124
  266   2HD   LYS  31          2HD       LYS  31  -8.895  -9.208  10.894
  267   1HE   LYS  31          1HE       LYS  31 -10.764  -7.285   9.324
  268   2HE   LYS  31          2HE       LYS  31 -11.179  -8.956   9.859
  269   1HZ   LYS  31          1HZ       LYS  31 -10.702  -8.188  12.177
  270   2HZ   LYS  31          2HZ       LYS  31 -10.577  -6.624  11.625
  271   3HZ   LYS  31          3HZ       LYS  31 -12.028  -7.456  11.426
  272    H    GLU  32           H        GLU  32  -4.246  -8.203   6.997
  273    HA   GLU  32           HA       GLU  32  -1.910  -8.665   8.711
  274   1HB   GLU  32          1HB       GLU  32  -2.881  -9.370   5.934
  275   2HB   GLU  32          2HB       GLU  32  -1.130  -9.466   6.280
  276   1HG   GLU  32          1HG       GLU  32  -3.194 -10.867   8.071
  277   2HG   GLU  32          2HG       GLU  32  -2.616 -11.626   6.540
  278    H    ASP  33           H        ASP  33  -0.259  -7.332   8.766
  279    HA   ASP  33           HA       ASP  33  -0.782  -4.727   7.664
  280   1HB   ASP  33          1HB       ASP  33   1.375  -5.704   9.614
  281   2HB   ASP  33          2HB       ASP  33   0.919  -3.984   9.280
  282    H    VAL  34           H        VAL  34  -0.133  -4.360   5.620
  283    HA   VAL  34           HA       VAL  34   2.312  -5.689   4.722
  284    HB   VAL  34           HB       VAL  34   0.232  -4.299   3.019
  285   1HG1  VAL  34          1HG1      VAL  34   2.509  -4.815   2.041
  286   2HG1  VAL  34          2HG1      VAL  34   2.324  -6.537   2.520
  287   3HG1  VAL  34          3HG1      VAL  34   1.215  -5.817   1.293
  288   1HG2  VAL  34          1HG2      VAL  34   0.283  -7.196   4.080
  289   2HG2  VAL  34          2HG2      VAL  34  -1.024  -5.971   4.312
  290   3HG2  VAL  34          3HG2      VAL  34  -0.706  -6.625   2.677
  291    H    PHE  35           H        PHE  35   4.147  -4.430   4.869
  292    HA   PHE  35           HA       PHE  35   3.816  -1.602   5.102
  293   1HB   PHE  35          1HB       PHE  35   6.226  -3.472   5.267
  294   2HB   PHE  35          2HB       PHE  35   6.388  -1.680   5.378
  295    HD1  PHE  35           HD1      PHE  35   5.022  -4.667   7.042
  296    HD2  PHE  35           HD2      PHE  35   5.456  -0.444   7.173
  297    HE1  PHE  35           HE1      PHE  35   4.279  -4.668   9.371
  298    HE2  PHE  35           HE2      PHE  35   4.723  -0.437   9.507
  299    HZ   PHE  35           HZ       PHE  35   4.124  -2.548  10.616
  300    H    VAL  36           H        VAL  36   4.275   0.038   3.769
  301    HA   VAL  36           HA       VAL  36   5.415  -0.646   1.160
  302    HB   VAL  36           HB       VAL  36   3.085  -0.667   0.888
  303   1HG1  VAL  36          1HG1      VAL  36   3.076   2.021   2.384
  304   2HG1  VAL  36          2HG1      VAL  36   1.720   1.451   1.352
  305   3HG1  VAL  36          3HG1      VAL  36   2.209   0.493   2.780
  306   1HG2  VAL  36          1HG2      VAL  36   4.472   0.352  -0.914
  307   2HG2  VAL  36          2HG2      VAL  36   2.824   1.069  -0.832
  308   3HG2  VAL  36          3HG2      VAL  36   4.230   1.989  -0.197
  309    H    HIS  37           H        HIS  37   6.927   0.597   0.421
  310    HA   HIS  37           HA       HIS  37   7.437   3.201   1.684
  311   1HB   HIS  37          1HB       HIS  37   9.242   1.515   1.878
  312   2HB   HIS  37          2HB       HIS  37   9.163   1.206   0.131
  313    HD1  HIS  37           HD1      HIS  37  11.562   1.695  -0.204
  314    HD2  HIS  37           HD2      HIS  37   9.574   5.016   1.395
  315    HE1  HIS  37           HE1      HIS  37  13.153   3.702  -0.340
  316    H    GLN  38           H        GLN  38   7.659   5.040   0.294
  317    HA   GLN  38           HA       GLN  38   5.935   5.118  -1.725
  318   1HB   GLN  38          1HB       GLN  38   6.669   7.374  -2.134
  319   2HB   GLN  38          2HB       GLN  38   6.621   7.012  -0.401
  320   1HG   GLN  38          1HG       GLN  38   9.143   6.667  -0.417
  321   2HG   GLN  38          2HG       GLN  38   9.164   7.123  -2.157
  322   1HE2  GLN  38          2HE2      GLN  38  10.398   8.455   0.313
  323   2HE2  GLN  38          1HE2      GLN  38   9.735  10.049   0.351
  324    H    THR  39           H        THR  39   9.148   3.977  -2.253
  325    HA   THR  39           HA       THR  39   9.064   4.534  -5.067
  326    HB   THR  39           HB       THR  39  11.175   4.476  -3.780
  327    HG1  THR  39           HG1      THR  39  11.168   4.121  -6.038
  328   1HG2  THR  39          1HG2      THR  39  10.583   2.414  -2.360
  329   2HG2  THR  39          2HG2      THR  39  10.774   1.396  -3.837
  330   3HG2  THR  39          3HG2      THR  39  12.171   2.312  -3.206
  331    H    ALA  40           H        ALA  40   7.576   2.147  -3.095
  332    HA   ALA  40           HA       ALA  40   7.629   0.101  -5.107
  333   1HB   ALA  40          1HB       ALA  40   5.907   0.452  -2.588
  334   2HB   ALA  40          2HB       ALA  40   6.077  -1.055  -3.572
  335   3HB   ALA  40          3HB       ALA  40   7.489  -0.405  -2.664
  336    H    ILE  41           H        ILE  41   5.946   3.008  -4.624
  337    HA   ILE  41           HA       ILE  41   3.519   2.235  -5.957
  338    HB   ILE  41           HB       ILE  41   4.570   4.922  -5.064
  339   1HG1  ILE  41          1HG1      ILE  41   2.535   3.057  -3.721
  340   2HG1  ILE  41          2HG1      ILE  41   4.238   3.227  -3.197
  341   1HG2  ILE  41          1HG2      ILE  41   2.815   5.095  -6.883
  342   2HG2  ILE  41          2HG2      ILE  41   1.738   4.003  -5.934
  343   3HG2  ILE  41          3HG2      ILE  41   2.167   5.635  -5.313
  344   1HD1  ILE  41          1HD1      ILE  41   3.867   5.693  -2.806
  345   2HD1  ILE  41          2HD1      ILE  41   2.120   5.461  -3.158
  346   3HD1  ILE  41          3HD1      ILE  41   2.874   4.625  -1.750
  347    H    LYS  42           H        LYS  42   3.189   2.298  -8.066
  348    HA   LYS  42           HA       LYS  42   5.427   2.779  -9.706
  349   1HB   LYS  42          1HB       LYS  42   4.146   1.806 -11.483
  350   2HB   LYS  42          2HB       LYS  42   3.906   0.903  -9.967
  351   1HG   LYS  42          1HG       LYS  42   1.743   2.333  -9.631
  352   2HG   LYS  42          2HG       LYS  42   1.925   2.791 -11.353
  353   1HD   LYS  42          1HD       LYS  42   1.704  -0.064 -10.204
  354   2HD   LYS  42          2HD       LYS  42   0.383   0.868 -10.977
  355   1HE   LYS  42          1HE       LYS  42   1.586   0.848 -13.163
  356   2HE   LYS  42          2HE       LYS  42   2.955  -0.072 -12.417
  357   1HZ   LYS  42          1HZ       LYS  42   0.119  -1.027 -12.497
  358   2HZ   LYS  42          2HZ       LYS  42   1.321  -1.463 -13.571
  359   3HZ   LYS  42          3HZ       LYS  42   1.482  -1.876 -11.948
  360    H    LYS  43           H        LYS  43   5.140   3.797 -11.985
  361    HA   LYS  43           HA       LYS  43   4.805   6.602 -11.298
  362   1HB   LYS  43          1HB       LYS  43   6.318   5.183 -13.517
  363   2HB   LYS  43          2HB       LYS  43   6.208   6.958 -13.332
  364   1HG   LYS  43          1HG       LYS  43   7.240   6.758 -11.021
  365   2HG   LYS  43          2HG       LYS  43   7.409   5.001 -11.298
  366   1HD   LYS  43          1HD       LYS  43   9.533   5.884 -11.752
  367   2HD   LYS  43          2HD       LYS  43   8.816   5.535 -13.357
  368   1HE   LYS  43          1HE       LYS  43   8.280   8.011 -13.601
  369   2HE   LYS  43          2HE       LYS  43   9.037   8.308 -11.978
  370   1HZ   LYS  43          1HZ       LYS  43  11.099   7.399 -12.882
  371   2HZ   LYS  43          2HZ       LYS  43  10.375   7.215 -14.403
  372   3HZ   LYS  43          3HZ       LYS  43  10.608   8.755 -13.725
  373    H    ASN  44           H        ASN  44   3.901   4.363 -13.962
  374    HA   ASN  44           HA       ASN  44   2.469   6.411 -15.317
  375   1HB   ASN  44          1HB       ASN  44   2.532   3.360 -15.647
  376   2HB   ASN  44          2HB       ASN  44   1.755   4.494 -16.819
  377   1HD2  ASN  44          2HD2      ASN  44   4.085   2.600 -17.118
  378   2HD2  ASN  44          1HD2      ASN  44   5.259   3.624 -17.915
  379    H    ASN  45           H        ASN  45   0.200   6.632 -15.675
  380    HA   ASN  45           HA       ASN  45  -1.538   4.812 -14.395
  381   1HB   ASN  45          1HB       ASN  45  -2.760   6.506 -13.029
  382   2HB   ASN  45          2HB       ASN  45  -1.076   6.281 -12.457
  383   1HD2  ASN  45          2HD2      ASN  45   0.320   8.112 -12.445
  384   2HD2  ASN  45          1HD2      ASN  45  -0.250   9.686 -12.975
  385    HA   PRO  46           HA       PRO  46  -3.719   6.578 -17.831
  386   1HB   PRO  46          1HB       PRO  46  -6.317   5.762 -17.447
  387   2HB   PRO  46          2HB       PRO  46  -4.987   4.620 -17.877
  388   1HG   PRO  46          1HG       PRO  46  -6.082   5.205 -15.071
  389   2HG   PRO  46          2HG       PRO  46  -5.822   3.588 -15.843
  390   1HD   PRO  46          1HD       PRO  46  -3.923   4.742 -14.160
  391   2HD   PRO  46          2HD       PRO  46  -3.436   3.759 -15.607
  392    H    ARG  47           H        ARG  47  -4.957   7.138 -14.534
  393    HA   ARG  47           HA       ARG  47  -4.870   9.892 -14.893
  394   1HB   ARG  47          1HB       ARG  47  -7.210  10.477 -14.448
  395   2HB   ARG  47          2HB       ARG  47  -7.069   9.598 -15.992
  396   1HG   ARG  47          1HG       ARG  47  -7.830   7.492 -14.864
  397   2HG   ARG  47          2HG       ARG  47  -7.970   8.377 -13.304
  398   1HD   ARG  47          1HD       ARG  47  -9.705   9.889 -14.280
  399   2HD   ARG  47          2HD       ARG  47  -9.568   9.010 -15.865
  400    HE   ARG  47           HE       ARG  47 -10.044   7.235 -13.517
  401   1HH1  ARG  47          1HH1      ARG  47 -11.807   5.900 -13.627
  402   2HH1  ARG  47          2HH1      ARG  47 -13.133   6.221 -14.703
  403   1HH2  ARG  47          1HH2      ARG  47 -11.777   9.285 -15.902
  404   2HH2  ARG  47          2HH2      ARG  47 -13.140   8.220 -15.935
  405    H    LYS  48           H        LYS  48  -5.345  10.992 -12.804
  406    HA   LYS  48           HA       LYS  48  -5.991   9.384 -10.564
  407   1HB   LYS  48          1HB       LYS  48  -3.983   9.855  -9.224
  408   2HB   LYS  48          2HB       LYS  48  -3.562   8.878 -10.653
  409   1HG   LYS  48          1HG       LYS  48  -2.665  10.794 -11.848
  410   2HG   LYS  48          2HG       LYS  48  -3.215  11.934 -10.596
  411   1HD   LYS  48          1HD       LYS  48  -1.058   9.774 -10.215
  412   2HD   LYS  48          2HD       LYS  48  -0.820  11.521 -10.516
  413   1HE   LYS  48          1HE       LYS  48  -2.241  11.895  -8.312
  414   2HE   LYS  48          2HE       LYS  48  -1.898  10.150  -7.980
  415   1HZ   LYS  48          1HZ       LYS  48   0.540  10.792  -8.343
  416   2HZ   LYS  48          2HZ       LYS  48   0.013  12.398  -8.323
  417   3HZ   LYS  48          3HZ       LYS  48  -0.180  11.436  -6.982
  418    H    TYR  49           H        TYR  49  -5.940  10.913  -8.517
  419    HA   TYR  49           HA       TYR  49  -6.844  13.570  -9.340
  420   1HB   TYR  49          1HB       TYR  49  -6.758  12.153  -6.622
  421   2HB   TYR  49          2HB       TYR  49  -7.449  13.796  -6.905
  422    HD1  TYR  49           HD1      TYR  49  -8.522  10.802  -6.161
  423    HD2  TYR  49           HD2      TYR  49  -9.021  13.752  -9.178
  424    HE1  TYR  49           HE1      TYR  49 -10.853  10.106  -6.458
  425    HE2  TYR  49           HE2      TYR  49 -11.326  13.054  -9.497
  426    HH   TYR  49           HH       TYR  49 -12.911  11.569  -8.947
  427    H    LEU  50           H        LEU  50  -6.008  14.669  -6.765
  428    HA   LEU  50           HA       LEU  50  -3.418  15.614  -7.541
  429   1HB   LEU  50          1HB       LEU  50  -5.396  16.858  -6.386
  430   2HB   LEU  50          2HB       LEU  50  -4.888  16.066  -4.881
  431    HG   LEU  50           HG       LEU  50  -4.110  18.365  -5.057
  432   1HD1  LEU  50          1HD1      LEU  50  -2.627  16.732  -3.839
  433   2HD1  LEU  50          2HD1      LEU  50  -1.649  16.539  -5.343
  434   3HD1  LEU  50          3HD1      LEU  50  -1.739  18.143  -4.529
  435   1HD2  LEU  50          1HD2      LEU  50  -4.003  18.516  -7.562
  436   2HD2  LEU  50          2HD2      LEU  50  -2.536  19.187  -6.751
  437   3HD2  LEU  50          3HD2      LEU  50  -2.462  17.573  -7.542
  438    H    ARG  51           H        ARG  51  -4.708  13.849  -4.692
  439    HA   ARG  51           HA       ARG  51  -2.625  11.928  -5.202
  440   1HB   ARG  51          1HB       ARG  51  -1.644  13.432  -3.451
  441   2HB   ARG  51          2HB       ARG  51  -2.945  12.963  -2.332
  442   1HG   ARG  51          1HG       ARG  51  -2.222  10.565  -2.490
  443   2HG   ARG  51          2HG       ARG  51  -1.038  11.000  -3.754
  444   1HD   ARG  51          1HD       ARG  51   0.130  12.494  -1.990
  445   2HD   ARG  51          2HD       ARG  51  -0.924  11.721  -0.748
  446    HE   ARG  51           HE       ARG  51   1.201  10.412  -2.438
  447   1HH1  ARG  51          1HH1      ARG  51  -1.555   9.694  -0.225
  448   2HH1  ARG  51          2HH1      ARG  51  -1.295   8.004  -0.362
  449   1HH2  ARG  51          1HH2      ARG  51   1.766   8.234  -2.064
  450   2HH2  ARG  51          2HH2      ARG  51   0.508   7.168  -1.512
  451    H    SER  52           H        SER  52  -4.858  12.303  -2.424
  452    HA   SER  52           HA       SER  52  -5.603   9.557  -2.889
  453   1HB   SER  52          1HB       SER  52  -6.476   9.625  -0.611
  454   2HB   SER  52          2HB       SER  52  -4.835  10.269  -0.684
  455    HG   SER  52           HG       SER  52  -6.502  11.475   0.526
  456    H    VAL  53           H        VAL  53  -7.854   8.941  -2.116
  457    HA   VAL  53           HA       VAL  53  -9.790  10.358  -3.790
  458    HB   VAL  53           HB       VAL  53  -9.660   7.522  -2.703
  459   1HG1  VAL  53          1HG1      VAL  53 -11.673   8.864  -4.608
  460   2HG1  VAL  53          2HG1      VAL  53 -11.598   7.099  -4.247
  461   3HG1  VAL  53          3HG1      VAL  53 -12.056   8.259  -2.953
  462   1HG2  VAL  53          1HG2      VAL  53  -9.241   8.681  -5.528
  463   2HG2  VAL  53          2HG2      VAL  53  -7.979   7.914  -4.485
  464   3HG2  VAL  53          3HG2      VAL  53  -9.356   6.932  -5.119
  465    H    GLY  54           H        GLY  54  -9.433   8.716  -0.574
  466   1HA   GLY  54          1HA       GLY  54 -11.977   9.790   0.247
  467   2HA   GLY  54          2HA       GLY  54 -10.523  10.627   0.911
  468    H    ASP  55           H        ASP  55 -12.694   9.035   2.306
  469    HA   ASP  55           HA       ASP  55 -10.895   7.457   3.836
  470   1HB   ASP  55          1HB       ASP  55 -12.846   7.085   5.319
  471   2HB   ASP  55          2HB       ASP  55 -12.458   8.801   5.020
  472    H    GLY  56           H        GLY  56 -10.388   5.414   3.633
  473   1HA   GLY  56          1HA       GLY  56 -12.423   3.484   3.099
  474   2HA   GLY  56          2HA       GLY  56 -10.696   3.216   3.498
  475    H    GLU  57           H        GLU  57  -9.625   4.766   1.248
  476    HA   GLU  57           HA       GLU  57 -10.835   3.656  -1.069
  477   1HB   GLU  57          1HB       GLU  57  -9.349   4.913  -2.364
  478   2HB   GLU  57          2HB       GLU  57  -9.807   5.915  -0.954
  479   1HG   GLU  57          1HG       GLU  57  -7.584   5.221   0.157
  480   2HG   GLU  57          2HG       GLU  57  -7.142   4.417  -1.399
  481    H    THR  58           H        THR  58  -9.841   2.318  -2.717
  482    HA   THR  58           HA       THR  58  -8.412   0.147  -1.511
  483    HB   THR  58           HB       THR  58  -8.994  -0.880  -3.824
  484    HG1  THR  58           HG1      THR  58 -10.311   0.208  -5.003
  485   1HG2  THR  58          1HG2      THR  58  -9.971  -1.457  -1.589
  486   2HG2  THR  58          2HG2      THR  58 -11.171  -0.123  -1.762
  487   3HG2  THR  58          3HG2      THR  58 -11.202  -1.527  -2.908
  488    H    VAL  59           H        VAL  59  -6.646  -0.756  -2.329
  489    HA   VAL  59           HA       VAL  59  -5.196   0.576  -4.494
  490    HB   VAL  59           HB       VAL  59  -4.111  -0.029  -1.718
  491   1HG1  VAL  59          1HG1      VAL  59  -2.675   0.951  -4.281
  492   2HG1  VAL  59          2HG1      VAL  59  -1.971   0.962  -2.629
  493   3HG1  VAL  59          3HG1      VAL  59  -2.355  -0.606  -3.415
  494   1HG2  VAL  59          1HG2      VAL  59  -4.437   2.592  -3.330
  495   2HG2  VAL  59          2HG2      VAL  59  -5.324   2.152  -1.817
  496   3HG2  VAL  59          3HG2      VAL  59  -3.549   2.442  -1.778
  497    H    GLU  60           H        GLU  60  -4.146  -0.955  -5.825
  498    HA   GLU  60           HA       GLU  60  -4.131  -3.705  -4.830
  499   1HB   GLU  60          1HB       GLU  60  -3.253  -2.558  -7.534
  500   2HB   GLU  60          2HB       GLU  60  -3.141  -4.285  -7.074
  501   1HG   GLU  60          1HG       GLU  60  -5.502  -4.611  -7.049
  502   2HG   GLU  60          2HG       GLU  60  -5.834  -2.843  -7.230
  503    H    PHE  61           H        PHE  61  -2.486  -4.838  -4.422
  504    HA   PHE  61           HA       PHE  61   0.218  -3.926  -4.865
  505   1HB   PHE  61          1HB       PHE  61   0.768  -4.120  -2.352
  506   2HB   PHE  61          2HB       PHE  61  -0.171  -2.678  -2.856
  507    HD1  PHE  61           HD1      PHE  61  -0.245  -5.751  -0.922
  508    HD2  PHE  61           HD2      PHE  61  -2.533  -2.517  -2.414
  509    HE1  PHE  61           HE1      PHE  61  -2.021  -6.246   0.724
  510    HE2  PHE  61           HE2      PHE  61  -4.329  -3.044  -0.851
  511    HZ   PHE  61           HZ       PHE  61  -4.065  -4.929   0.741
  512    H    ASP  62           H        ASP  62   1.796  -5.604  -3.942
  513    HA   ASP  62           HA       ASP  62   0.574  -8.285  -3.895
  514   1HB   ASP  62          1HB       ASP  62   3.495  -7.312  -4.071
  515   2HB   ASP  62          2HB       ASP  62   3.001  -9.037  -3.938
  516    H    VAL  63           H        VAL  63   1.139  -9.655  -1.966
  517    HA   VAL  63           HA       VAL  63   2.020  -8.087   0.352
  518    HB   VAL  63           HB       VAL  63   0.170 -10.523   0.276
  519   1HG1  VAL  63          1HG1      VAL  63   1.170  -8.733   2.606
  520   2HG1  VAL  63          2HG1      VAL  63  -0.053 -10.050   2.742
  521   3HG1  VAL  63          3HG1      VAL  63   1.646 -10.447   2.325
  522   1HG2  VAL  63          1HG2      VAL  63  -0.247  -7.522   0.839
  523   2HG2  VAL  63          2HG2      VAL  63  -1.018  -8.465  -0.488
  524   3HG2  VAL  63          3HG2      VAL  63  -1.476  -8.792   1.236
  525    H    VAL  64           H        VAL  64   4.264  -8.561   0.081
  526    HA   VAL  64           HA       VAL  64   4.840 -11.426  -0.221
  527    HB   VAL  64           HB       VAL  64   6.827 -10.516  -1.562
  528   1HG1  VAL  64          1HG1      VAL  64   3.918 -10.525  -2.626
  529   2HG1  VAL  64          2HG1      VAL  64   5.392 -10.622  -3.654
  530   3HG1  VAL  64          3HG1      VAL  64   4.999 -11.951  -2.509
  531   1HG2  VAL  64          1HG2      VAL  64   6.357  -8.065  -1.050
  532   2HG2  VAL  64          2HG2      VAL  64   6.386  -8.433  -2.810
  533   3HG2  VAL  64          3HG2      VAL  64   4.820  -8.188  -1.988
  534    H    GLU  65           H        GLU  65   6.495 -12.235   1.029
  535    HA   GLU  65           HA       GLU  65   6.916 -10.954   3.402
  536   1HB   GLU  65          1HB       GLU  65   7.180 -13.399   3.008
  537   2HB   GLU  65          2HB       GLU  65   8.690 -13.048   2.118
  538   1HG   GLU  65          1HG       GLU  65   9.547 -11.973   4.382
  539   2HG   GLU  65          2HG       GLU  65   8.145 -12.790   5.146
  540    H    GLY  66           H        GLY  66   8.126  -9.567   4.213
  541   1HA   GLY  66          1HA       GLY  66   9.529  -7.630   3.774
  542   2HA   GLY  66          2HA       GLY  66  10.637  -8.730   2.886
  543    H    GLU  67           H        GLU  67  10.049  -7.230   5.838
  544    HA   GLU  67           HA       GLU  67  12.042  -8.957   7.124
  545   1HB   GLU  67          1HB       GLU  67  12.607  -6.847   8.422
  546   2HB   GLU  67          2HB       GLU  67  13.108  -7.007   6.729
  547   1HG   GLU  67          1HG       GLU  67  11.210  -5.552   5.958
  548   2HG   GLU  67          2HG       GLU  67  10.727  -5.289   7.667
  549    H    LYS  68           H        LYS  68  10.116  -6.551   8.848
  550    HA   LYS  68           HA       LYS  68   9.517  -8.474  10.817
  551   1HB   LYS  68          1HB       LYS  68   8.506  -6.589  11.990
  552   2HB   LYS  68          2HB       LYS  68  10.071  -6.129  11.281
  553   1HG   LYS  68          1HG       LYS  68   8.918  -5.073   9.345
  554   2HG   LYS  68          2HG       LYS  68   7.314  -5.465  10.030
  555   1HD   LYS  68          1HD       LYS  68   9.419  -3.771  11.504
  556   2HD   LYS  68          2HD       LYS  68   8.259  -3.109  10.308
  557   1HE   LYS  68          1HE       LYS  68   6.322  -3.934  11.701
  558   2HE   LYS  68          2HE       LYS  68   7.500  -4.456  12.981
  559   1HZ   LYS  68          1HZ       LYS  68   7.542  -1.686  11.887
  560   2HZ   LYS  68          2HZ       LYS  68   6.470  -2.129  13.125
  561   3HZ   LYS  68          3HZ       LYS  68   8.129  -2.281  13.353
  562    H    GLY  69           H        GLY  69   8.057  -8.537   7.963
  563   1HA   GLY  69          1HA       GLY  69   5.349  -7.959   8.485
  564   2HA   GLY  69          2HA       GLY  69   5.709  -9.732   8.476
  565    H    ALA  70           H        ALA  70   4.043  -8.694   6.502
  566    HA   ALA  70           HA       ALA  70   5.657  -9.150   4.173
  567   1HB   ALA  70          1HB       ALA  70   3.435 -10.186   4.404
  568   2HB   ALA  70          2HB       ALA  70   2.674  -8.555   4.479
  569   3HB   ALA  70          3HB       ALA  70   3.506  -9.103   2.969
  570    H    GLU  71           H        GLU  71   5.755  -7.814   2.299
  571    HA   GLU  71           HA       GLU  71   5.209  -4.995   2.739
  572   1HB   GLU  71          1HB       GLU  71   7.187  -4.349   1.644
  573   2HB   GLU  71          2HB       GLU  71   7.620  -5.526   2.943
  574   1HG   GLU  71          1HG       GLU  71   8.051  -7.292   1.256
  575   2HG   GLU  71          2HG       GLU  71   7.504  -6.207  -0.070
  576    H    ALA  72           H        ALA  72   5.744  -4.035   0.230
  577    HA   ALA  72           HA       ALA  72   3.644  -5.366  -1.358
  578   1HB   ALA  72          1HB       ALA  72   3.708  -2.495  -0.286
  579   2HB   ALA  72          2HB       ALA  72   2.586  -3.805   0.238
  580   3HB   ALA  72          3HB       ALA  72   2.470  -3.157  -1.437
  581    H    ALA  73           H        ALA  73   3.696  -5.037  -3.459
  582    HA   ALA  73           HA       ALA  73   5.807  -3.356  -4.579
  583   1HB   ALA  73          1HB       ALA  73   6.738  -5.657  -4.259
  584   2HB   ALA  73          2HB       ALA  73   5.368  -6.345  -5.208
  585   3HB   ALA  73          3HB       ALA  73   6.567  -5.245  -5.996
  586    H    ASN  74           H        ASN  74   5.542  -2.788  -6.687
  587    HA   ASN  74           HA       ASN  74   4.437  -1.783  -8.231
  588   1HB   ASN  74          1HB       ASN  74   4.495  -4.349  -8.842
  589   2HB   ASN  74          2HB       ASN  74   2.712  -4.253  -8.715
  590   1HD2  ASN  74          2HD2      ASN  74   5.641  -3.107 -10.393
  591   2HD2  ASN  74          1HD2      ASN  74   4.837  -2.547 -11.831
  592    H    VAL  75           H        VAL  75   3.586  -0.675  -6.150
  593    HA   VAL  75           HA       VAL  75   0.896  -1.248  -5.527
  594    HB   VAL  75           HB       VAL  75   2.676   0.966  -4.506
  595   1HG1  VAL  75          1HG1      VAL  75   0.113  -0.362  -3.392
  596   2HG1  VAL  75          2HG1      VAL  75   1.117   0.867  -2.542
  597   3HG1  VAL  75          3HG1      VAL  75   0.210   1.322  -4.025
  598   1HG2  VAL  75          1HG2      VAL  75   2.217  -1.953  -3.609
  599   2HG2  VAL  75          2HG2      VAL  75   3.767  -1.210  -4.155
  600   3HG2  VAL  75          3HG2      VAL  75   3.027  -0.689  -2.612
  601    H    THR  76           H        THR  76  -0.913  -0.419  -6.212
  602    HA   THR  76           HA       THR  76  -0.723   1.818  -8.116
  603    HB   THR  76           HB       THR  76  -2.729  -0.420  -8.296
  604    HG1  THR  76           HG1      THR  76  -0.405  -0.974  -8.459
  605   1HG2  THR  76          1HG2      THR  76  -1.550   1.691 -10.265
  606   2HG2  THR  76          2HG2      THR  76  -2.725   0.404 -10.691
  607   3HG2  THR  76          3HG2      THR  76  -3.226   1.736  -9.606
  608    H    GLY  77           H        GLY  77  -3.959   1.013  -7.727
  609   1HA   GLY  77          1HA       GLY  77  -4.265   3.347  -5.949
  610   2HA   GLY  77          2HA       GLY  77  -5.347   1.929  -6.010
  611    HA   PRO  78           HA       PRO  78  -6.979   4.928  -8.945
  612   1HB   PRO  78          1HB       PRO  78  -5.498   6.738 -10.398
  613   2HB   PRO  78          2HB       PRO  78  -5.772   6.922  -8.623
  614   1HG   PRO  78          1HG       PRO  78  -3.318   5.640  -9.974
  615   2HG   PRO  78          2HG       PRO  78  -3.334   6.981  -8.746
  616   1HD   PRO  78          1HD       PRO  78  -3.025   4.318  -8.035
  617   2HD   PRO  78          2HD       PRO  78  -3.980   5.463  -6.989
  618    H    GLY  79           H        GLY  79  -7.596   5.115 -11.209
  619   1HA   GLY  79          1HA       GLY  79  -6.200   3.296 -13.015
  620   2HA   GLY  79          2HA       GLY  79  -7.572   4.406 -13.359

  No H/Q in entry =         620
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -1.794 -17.817   5.237
    2    H2   MET   1           H2       MET   1  -1.802 -19.473   5.096
    3    H3   MET   1           H3       MET   1  -1.503 -18.756   6.594
    4    HA   MET   1           HA       MET   1   0.560 -19.470   5.899
    5   1HB   MET   1          1HB       MET   1   1.503 -19.081   3.679
    6   2HB   MET   1          2HB       MET   1  -0.015 -19.987   3.611
    7   1HG   MET   1          1HG       MET   1  -1.271 -18.000   2.890
    8   2HG   MET   1          2HG       MET   1   0.165 -16.961   3.098
    9   1HE   MET   1          1HE       MET   1  -1.529 -19.877   1.071
   10   2HE   MET   1          2HE       MET   1  -0.324 -20.252  -0.186
   11   3HE   MET   1          3HE       MET   1   0.016 -20.689   1.520
   12    H    LYS   2           H        LYS   2   2.681 -18.110   5.256
   13    HA   LYS   2           HA       LYS   2   2.266 -15.290   5.881
   14   1HB   LYS   2          1HB       LYS   2   4.485 -17.052   7.055
   15   2HB   LYS   2          2HB       LYS   2   4.305 -15.278   7.278
   16   1HG   LYS   2          1HG       LYS   2   2.063 -15.766   8.451
   17   2HG   LYS   2          2HG       LYS   2   2.525 -17.491   8.387
   18   1HD   LYS   2          1HD       LYS   2   3.219 -16.799  10.513
   19   2HD   LYS   2          2HD       LYS   2   4.739 -16.820   9.550
   20   1HE   LYS   2          1HE       LYS   2   4.513 -14.271   9.282
   21   2HE   LYS   2          2HE       LYS   2   3.024 -14.350  10.301
   22   1HZ   LYS   2          1HZ       LYS   2   4.580 -15.495  11.984
   23   2HZ   LYS   2          2HZ       LYS   2   5.845 -14.797  11.109
   24   3HZ   LYS   2          3HZ       LYS   2   4.668 -13.828  11.793
   25    H    LYS   3           H        LYS   3   4.839 -14.402   5.602
   26    HA   LYS   3           HA       LYS   3   6.530 -14.086   4.397
   27   1HB   LYS   3          1HB       LYS   3   6.152 -16.885   3.295
   28   2HB   LYS   3          2HB       LYS   3   7.583 -15.848   3.005
   29   1HG   LYS   3          1HG       LYS   3   8.049 -15.769   5.447
   30   2HG   LYS   3          2HG       LYS   3   6.561 -16.688   5.794
   31   1HD   LYS   3          1HD       LYS   3   8.448 -18.149   5.975
   32   2HD   LYS   3          2HD       LYS   3   7.436 -18.665   4.587
   33   1HE   LYS   3          1HE       LYS   3   9.073 -17.732   2.976
   34   2HE   LYS   3          2HE       LYS   3  10.040 -17.008   4.313
   35   1HZ   LYS   3          1HZ       LYS   3   9.474 -19.923   4.034
   36   2HZ   LYS   3          2HZ       LYS   3  10.882 -19.187   3.491
   37   3HZ   LYS   3          3HZ       LYS   3  10.536 -19.194   5.135
   38    H    VAL   4           H        VAL   4   5.498 -15.885   1.566
   39    HA   VAL   4           HA       VAL   4   4.796 -13.318   0.290
   40    HB   VAL   4           HB       VAL   4   5.566 -16.014  -0.867
   41   1HG1  VAL   4          1HG1      VAL   4   4.437 -13.449  -2.176
   42   2HG1  VAL   4          2HG1      VAL   4   5.366 -14.706  -3.079
   43   3HG1  VAL   4          3HG1      VAL   4   3.806 -15.132  -2.307
   44   1HG2  VAL   4          1HG2      VAL   4   6.880 -13.210  -0.965
   45   2HG2  VAL   4          2HG2      VAL   4   7.497 -14.633  -0.052
   46   3HG2  VAL   4          3HG2      VAL   4   7.438 -14.673  -1.849
   47    H    ILE   5           H        ILE   5   2.606 -12.924   0.692
   48    HA   ILE   5           HA       ILE   5   1.025 -15.319   1.165
   49    HB   ILE   5           HB       ILE   5   0.364 -12.419   1.653
   50   1HG1  ILE   5          1HG1      ILE   5   0.462 -13.655   4.083
   51   2HG1  ILE   5          2HG1      ILE   5   1.694 -14.628   3.254
   52   1HG2  ILE   5          1HG2      ILE   5  -1.053 -15.085   2.387
   53   2HG2  ILE   5          2HG2      ILE   5  -1.486 -13.464   3.011
   54   3HG2  ILE   5          3HG2      ILE   5  -1.677 -13.816   1.263
   55   1HD1  ILE   5          1HD1      ILE   5   2.860 -12.385   2.609
   56   2HD1  ILE   5          2HD1      ILE   5   1.657 -11.571   3.679
   57   3HD1  ILE   5          3HD1      ILE   5   2.834 -12.765   4.359
   58    H    ALA   6           H        ALA   6   0.801 -12.364  -0.802
   59    HA   ALA   6           HA       ALA   6  -0.444 -13.913  -2.926
   60   1HB   ALA   6          1HB       ALA   6  -2.628 -12.622  -2.837
   61   2HB   ALA   6          2HB       ALA   6  -2.076 -11.858  -1.303
   62   3HB   ALA   6          3HB       ALA   6  -2.378 -13.628  -1.366
   63    H    THR   7           H        THR   7  -0.642 -12.931  -4.880
   64    HA   THR   7           HA       THR   7   0.232 -10.160  -5.101
   65    HB   THR   7           HB       THR   7   0.790 -10.597  -7.406
   66    HG1  THR   7           HG1      THR   7   0.111 -13.276  -6.686
   67   1HG2  THR   7          1HG2      THR   7   2.483 -10.861  -5.556
   68   2HG2  THR   7          2HG2      THR   7   2.100 -12.625  -5.461
   69   3HG2  THR   7          3HG2      THR   7   2.800 -11.928  -6.968
   70    H    LYS   8           H        LYS   8  -0.759  -8.785  -6.536
   71    HA   LYS   8           HA       LYS   8  -2.480  -7.593  -6.973
   72   1HB   LYS   8          1HB       LYS   8  -3.681 -10.075  -8.230
   73   2HB   LYS   8          2HB       LYS   8  -4.111  -8.363  -8.570
   74   1HG   LYS   8          1HG       LYS   8  -1.737  -7.997  -9.419
   75   2HG   LYS   8          2HG       LYS   8  -1.408  -9.743  -9.111
   76   1HD   LYS   8          1HD       LYS   8  -3.360 -10.327 -10.606
   77   2HD   LYS   8          2HD       LYS   8  -3.518  -8.594 -11.031
   78   1HE   LYS   8          1HE       LYS   8  -1.132  -8.648 -11.932
   79   2HE   LYS   8          2HE       LYS   8  -1.047 -10.416 -11.526
   80   1HZ   LYS   8          1HZ       LYS   8  -2.997 -10.737 -12.975
   81   2HZ   LYS   8          2HZ       LYS   8  -2.896  -9.102 -13.436
   82   3HZ   LYS   8          3HZ       LYS   8  -1.635 -10.187 -13.783
   83    H    VAL   9           H        VAL   9  -2.774  -7.238  -4.792
   84    HA   VAL   9           HA       VAL   9  -5.102  -8.512  -3.562
   85    HB   VAL   9           HB       VAL   9  -2.562  -7.369  -2.319
   86   1HG1  VAL   9          1HG1      VAL   9  -4.916  -9.024  -1.166
   87   2HG1  VAL   9          2HG1      VAL   9  -3.368  -8.678  -0.301
   88   3HG1  VAL   9          3HG1      VAL   9  -4.472  -7.328  -0.706
   89   1HG2  VAL   9          1HG2      VAL   9  -3.383 -10.278  -2.943
   90   2HG2  VAL   9          2HG2      VAL   9  -1.962  -9.373  -3.618
   91   3HG2  VAL   9          3HG2      VAL   9  -1.999  -9.785  -1.883
   92    H    LEU  10           H        LEU  10  -6.534  -7.188  -2.466
   93    HA   LEU  10           HA       LEU  10  -5.792  -4.365  -2.179
   94   1HB   LEU  10          1HB       LEU  10  -8.529  -5.372  -3.090
   95   2HB   LEU  10          2HB       LEU  10  -8.113  -3.682  -2.648
   96    HG   LEU  10           HG       LEU  10  -6.160  -4.133  -4.484
   97   1HD1  LEU  10          1HD1      LEU  10  -8.563  -5.793  -5.496
   98   2HD1  LEU  10          2HD1      LEU  10  -7.134  -5.298  -6.486
   99   3HD1  LEU  10          3HD1      LEU  10  -6.925  -6.422  -5.108
  100   1HD2  LEU  10          1HD2      LEU  10  -7.682  -2.201  -4.392
  101   2HD2  LEU  10          2HD2      LEU  10  -7.509  -2.827  -6.072
  102   3HD2  LEU  10          3HD2      LEU  10  -9.011  -3.192  -5.126
  103    H    GLY  11           H        GLY  11  -7.252  -3.240  -0.578
  104   1HA   GLY  11          1HA       GLY  11  -6.804  -4.170   1.880
  105   2HA   GLY  11          2HA       GLY  11  -8.444  -4.817   1.451
  106    H    THR  12           H        THR  12  -7.673  -2.773   3.529
  107    HA   THR  12           HA       THR  12  -8.972  -0.415   2.319
  108    HB   THR  12           HB       THR  12  -9.121  -1.085   5.264
  109    HG1  THR  12           HG1      THR  12 -10.443  -2.500   4.578
  110   1HG2  THR  12          1HG2      THR  12 -10.629   0.835   3.354
  111   2HG2  THR  12          2HG2      THR  12 -10.983   0.617   5.099
  112   3HG2  THR  12          3HG2      THR  12  -9.423   1.337   4.604
  113    H    VAL  13           H        VAL  13  -7.760   1.457   2.391
  114    HA   VAL  13           HA       VAL  13  -5.290   1.399   3.938
  115    HB   VAL  13           HB       VAL  13  -6.355   3.400   1.933
  116   1HG1  VAL  13          1HG1      VAL  13  -3.626   3.105   3.373
  117   2HG1  VAL  13          2HG1      VAL  13  -3.943   4.198   1.983
  118   3HG1  VAL  13          3HG1      VAL  13  -4.781   4.487   3.536
  119   1HG2  VAL  13          1HG2      VAL  13  -5.840   1.186   0.879
  120   2HG2  VAL  13          2HG2      VAL  13  -4.621   2.428   0.430
  121   3HG2  VAL  13          3HG2      VAL  13  -4.204   1.194   1.664
  122    H    LYS  14           H        LYS  14  -5.235   2.310   5.965
  123    HA   LYS  14           HA       LYS  14  -6.889   4.706   6.321
  124   1HB   LYS  14          1HB       LYS  14  -7.525   2.746   7.777
  125   2HB   LYS  14          2HB       LYS  14  -5.873   2.726   8.439
  126   1HG   LYS  14          1HG       LYS  14  -7.381   3.798   9.981
  127   2HG   LYS  14          2HG       LYS  14  -6.240   5.043   9.374
  128   1HD   LYS  14          1HD       LYS  14  -7.996   6.006   7.934
  129   2HD   LYS  14          2HD       LYS  14  -9.033   4.565   8.170
  130   1HE   LYS  14          1HE       LYS  14  -9.941   6.446   9.433
  131   2HE   LYS  14          2HE       LYS  14  -9.382   5.152  10.573
  132   1HZ   LYS  14          1HZ       LYS  14  -7.801   7.573   9.851
  133   2HZ   LYS  14          2HZ       LYS  14  -8.826   7.442  11.180
  134   3HZ   LYS  14          3HZ       LYS  14  -7.477   6.432  11.090
  135    H    TRP  15           H        TRP  15  -3.865   3.165   7.499
  136    HA   TRP  15           HA       TRP  15  -2.813   5.777   8.069
  137   1HB   TRP  15          1HB       TRP  15  -1.615   2.988   8.399
  138   2HB   TRP  15          2HB       TRP  15  -0.841   4.510   8.942
  139    HD1  TRP  15           HD1      TRP  15  -3.767   2.156   9.922
  140    HE1  TRP  15           HE1      TRP  15  -4.415   2.709  12.345
  141    HE3  TRP  15           HE3      TRP  15  -0.985   6.350  10.504
  142    HZ2  TRP  15           HZ2      TRP  15  -3.925   4.798  14.187
  143    HZ3  TRP  15           HZ3      TRP  15  -1.155   7.614  12.595
  144    HH2  TRP  15           HH2      TRP  15  -2.595   6.849  14.408
  145    H    PHE  16           H        PHE  16  -2.039   7.003   6.493
  146    HA   PHE  16           HA       PHE  16   0.182   5.948   5.021
  147   1HB   PHE  16          1HB       PHE  16  -1.894   5.413   3.585
  148   2HB   PHE  16          2HB       PHE  16  -2.207   7.169   3.507
  149    HD1  PHE  16           HD1      PHE  16   0.846   4.974   3.129
  150    HD2  PHE  16           HD2      PHE  16  -1.719   7.892   1.407
  151    HE1  PHE  16           HE1      PHE  16   2.265   5.043   1.147
  152    HE2  PHE  16           HE2      PHE  16  -0.299   7.960  -0.588
  153    HZ   PHE  16           HZ       PHE  16   1.698   6.537  -0.721
  154    H    ASN  17           H        ASN  17   1.727   7.402   4.903
  155    HA   ASN  17           HA       ASN  17   1.123  10.192   5.538
  156   1HB   ASN  17          1HB       ASN  17   2.803   8.896   6.922
  157   2HB   ASN  17          2HB       ASN  17   3.786   8.624   5.434
  158   1HD2  ASN  17          2HD2      ASN  17   4.999  10.309   4.618
  159   2HD2  ASN  17          1HD2      ASN  17   5.124  11.900   5.333
  160    H    VAL  18           H        VAL  18   0.720  11.412   3.771
  161    HA   VAL  18           HA       VAL  18   1.087  10.072   1.324
  162    HB   VAL  18           HB       VAL  18  -0.206  12.793   1.890
  163   1HG1  VAL  18          1HG1      VAL  18  -0.651  10.704  -0.345
  164   2HG1  VAL  18          2HG1      VAL  18  -1.636  12.188  -0.069
  165   3HG1  VAL  18          3HG1      VAL  18   0.077  12.347  -0.543
  166   1HG2  VAL  18          1HG2      VAL  18  -1.373   9.944   2.108
  167   2HG2  VAL  18          2HG2      VAL  18  -1.194  11.138   3.452
  168   3HG2  VAL  18          3HG2      VAL  18  -2.337  11.475   2.115
  169    H    ARG  19           H        ARG  19   2.275  13.199   2.505
  170    HA   ARG  19           HA       ARG  19   3.398  14.087   0.156
  171   1HB   ARG  19          1HB       ARG  19   3.123  15.465   2.156
  172   2HB   ARG  19          2HB       ARG  19   4.260  14.428   3.052
  173   1HG   ARG  19          1HG       ARG  19   6.129  15.126   1.506
  174   2HG   ARG  19          2HG       ARG  19   4.967  16.205   0.640
  175   1HD   ARG  19          1HD       ARG  19   4.696  17.607   2.686
  176   2HD   ARG  19          2HD       ARG  19   5.647  16.392   3.639
  177    HE   ARG  19           HE       ARG  19   7.108  17.397   1.276
  178   1HH1  ARG  19          1HH1      ARG  19   6.240  18.367   4.604
  179   2HH1  ARG  19          2HH1      ARG  19   7.770  19.173   4.830
  180   1HH2  ARG  19          1HH2      ARG  19   9.095  18.368   1.701
  181   2HH2  ARG  19          2HH2      ARG  19   9.230  19.467   3.064
  182    H    ASN  20           H        ASN  20   5.317  12.460   2.778
  183    HA   ASN  20           HA       ASN  20   7.351  11.852   0.980
  184   1HB   ASN  20          1HB       ASN  20   7.456  11.989   3.522
  185   2HB   ASN  20          2HB       ASN  20   6.787  10.329   3.551
  186   1HD2  ASN  20          2HD2      ASN  20   9.642  12.332   2.966
  187   2HD2  ASN  20          1HD2      ASN  20  10.725  11.017   2.624
  188    H    GLY  21           H        GLY  21   4.508   9.808   1.925
  189   1HA   GLY  21          1HA       GLY  21   5.102   8.191  -0.413
  190   2HA   GLY  21          2HA       GLY  21   3.628   8.275   0.590
  191    H    TYR  22           H        TYR  22   4.033   7.453   2.968
  192    HA   TYR  22           HA       TYR  22   4.822   4.755   2.515
  193   1HB   TYR  22          1HB       TYR  22   6.353   4.462   4.381
  194   2HB   TYR  22          2HB       TYR  22   6.997   5.664   3.228
  195    HD1  TYR  22           HD1      TYR  22   7.192   7.948   3.793
  196    HD2  TYR  22           HD2      TYR  22   5.618   5.183   6.597
  197    HE1  TYR  22           HE1      TYR  22   7.710   9.509   5.632
  198    HE2  TYR  22           HE2      TYR  22   6.114   6.733   8.418
  199    HH   TYR  22           HH       TYR  22   7.103   8.682   9.007
  200    H    GLY  23           H        GLY  23   4.089   3.282   4.228
  201   1HA   GLY  23          1HA       GLY  23   1.556   4.129   5.215
  202   2HA   GLY  23          2HA       GLY  23   2.823   4.012   6.502
  203    H    PHE  24           H        PHE  24   0.345   2.457   6.239
  204    HA   PHE  24           HA       PHE  24   1.194  -0.093   5.285
  205   1HB   PHE  24          1HB       PHE  24   0.628  -1.267   7.489
  206   2HB   PHE  24          2HB       PHE  24   2.181  -0.405   7.379
  207    HD1  PHE  24           HD1      PHE  24  -1.109  -0.400   8.972
  208    HD2  PHE  24           HD2      PHE  24   2.600   1.620   8.554
  209    HE1  PHE  24           HE1      PHE  24  -1.570   0.865  11.019
  210    HE2  PHE  24           HE2      PHE  24   2.140   2.907  10.590
  211    HZ   PHE  24           HZ       PHE  24   0.052   2.532  11.819
  212    H    ILE  25           H        ILE  25  -0.424  -1.615   5.095
  213    HA   ILE  25           HA       ILE  25  -3.047  -0.344   4.703
  214    HB   ILE  25           HB       ILE  25  -2.188  -2.952   3.466
  215   1HG1  ILE  25          1HG1      ILE  25  -1.473  -0.117   2.490
  216   2HG1  ILE  25          2HG1      ILE  25  -0.315  -1.390   2.982
  217   1HG2  ILE  25          1HG2      ILE  25  -4.093  -0.662   2.671
  218   2HG2  ILE  25          2HG2      ILE  25  -3.741  -2.107   1.651
  219   3HG2  ILE  25          3HG2      ILE  25  -4.562  -2.317   3.215
  220   1HD1  ILE  25          1HD1      ILE  25  -1.129  -2.852   1.091
  221   2HD1  ILE  25          2HD1      ILE  25  -2.080  -1.454   0.481
  222   3HD1  ILE  25          3HD1      ILE  25  -0.297  -1.337   0.590
  223    H    ASN  26           H        ASN  26  -4.994  -1.638   5.161
  224    HA   ASN  26           HA       ASN  26  -4.474  -3.930   6.899
  225   1HB   ASN  26          1HB       ASN  26  -5.504  -1.921   8.073
  226   2HB   ASN  26          2HB       ASN  26  -6.894  -2.016   6.939
  227   1HD2  ASN  26          2HD2      ASN  26  -4.981  -4.409   8.992
  228   2HD2  ASN  26          1HD2      ASN  26  -6.389  -5.046   9.768
  229    H    ARG  27           H        ARG  27  -4.317  -5.342   5.169
  230    HA   ARG  27           HA       ARG  27  -6.240  -5.771   3.288
  231   1HB   ARG  27          1HB       ARG  27  -3.801  -6.649   3.596
  232   2HB   ARG  27          2HB       ARG  27  -4.517  -7.893   4.642
  233   1HG   ARG  27          1HG       ARG  27  -6.119  -8.177   2.431
  234   2HG   ARG  27          2HG       ARG  27  -4.669  -7.463   1.645
  235   1HD   ARG  27          1HD       ARG  27  -3.275  -9.393   2.519
  236   2HD   ARG  27          2HD       ARG  27  -4.710  -9.955   3.484
  237    HE   ARG  27           HE       ARG  27  -5.664  -9.830   0.839
  238   1HH1  ARG  27          1HH1      ARG  27  -5.681 -11.675  -0.569
  239   2HH1  ARG  27          2HH1      ARG  27  -4.909 -13.123  -0.041
  240   1HH2  ARG  27          1HH2      ARG  27  -3.579 -11.816   2.944
  241   2HH2  ARG  27          2HH2      ARG  27  -3.876 -13.198   2.008
  242    H    ASN  28           H        ASN  28  -7.879  -7.322   3.055
  243    HA   ASN  28           HA       ASN  28  -9.558  -7.524   5.289
  244   1HB   ASN  28          1HB       ASN  28  -9.717  -8.896   2.543
  245   2HB   ASN  28          2HB       ASN  28 -11.092  -8.651   3.680
  246   1HD2  ASN  28          2HD2      ASN  28 -10.321  -7.582   0.833
  247   2HD2  ASN  28          1HD2      ASN  28 -10.642  -5.874   0.969
  248    H    ASP  29           H        ASP  29  -7.071  -9.745   4.301
  249    HA   ASP  29           HA       ASP  29  -8.670 -12.013   4.691
  250   1HB   ASP  29          1HB       ASP  29  -6.808 -11.657   3.014
  251   2HB   ASP  29          2HB       ASP  29  -5.635 -11.945   4.349
  252    H    THR  30           H        THR  30  -5.511 -11.534   6.509
  253    HA   THR  30           HA       THR  30  -6.919 -12.804   8.729
  254    HB   THR  30           HB       THR  30  -5.184 -14.164   7.431
  255    HG1  THR  30           HG1      THR  30  -4.695 -13.931  10.178
  256   1HG2  THR  30          1HG2      THR  30  -3.369 -12.460   7.348
  257   2HG2  THR  30          2HG2      THR  30  -3.228 -12.495   9.160
  258   3HG2  THR  30          3HG2      THR  30  -2.876 -13.963   8.190
  259    H    LYS  31           H        LYS  31  -5.625 -10.157   7.423
  260    HA   LYS  31           HA       LYS  31  -5.564  -8.111   8.041
  261   1HB   LYS  31          1HB       LYS  31  -6.317  -9.136  10.784
  262   2HB   LYS  31          2HB       LYS  31  -5.975  -7.393  10.432
  263   1HG   LYS  31          1HG       LYS  31  -8.323  -7.674  10.446
  264   2HG   LYS  31          2HG       LYS  31  -7.856  -7.400   8.744
  265   1HD   LYS  31          1HD       LYS  31  -8.116  -9.823   8.284
  266   2HD   LYS  31          2HD       LYS  31  -8.447 -10.155  10.022
  267   1HE   LYS  31          1HE       LYS  31 -10.616  -8.858   9.809
  268   2HE   LYS  31          2HE       LYS  31 -10.182  -8.460   8.099
  269   1HZ   LYS  31          1HZ       LYS  31 -10.060 -10.875   7.681
  270   2HZ   LYS  31          2HZ       LYS  31 -10.737 -11.154   9.228
  271   3HZ   LYS  31          3HZ       LYS  31 -11.598 -10.331   8.033
  272    H    GLU  32           H        GLU  32  -3.526  -8.806   7.174
  273    HA   GLU  32           HA       GLU  32  -1.402  -9.101   9.113
  274   1HB   GLU  32          1HB       GLU  32  -0.266 -10.137   7.213
  275   2HB   GLU  32          2HB       GLU  32  -1.803 -10.951   7.628
  276   1HG   GLU  32          1HG       GLU  32  -1.884  -8.871   5.379
  277   2HG   GLU  32          2HG       GLU  32  -1.108 -10.466   5.113
  278    H    ASP  33           H        ASP  33   0.260  -7.566   9.265
  279    HA   ASP  33           HA       ASP  33  -0.661  -5.098   8.147
  280   1HB   ASP  33          1HB       ASP  33   1.687  -5.707  10.014
  281   2HB   ASP  33          2HB       ASP  33   1.083  -4.046   9.590
  282    H    VAL  34           H        VAL  34  -0.170  -4.504   6.188
  283    HA   VAL  34           HA       VAL  34   2.303  -5.430   4.931
  284    HB   VAL  34           HB       VAL  34  -0.436  -4.507   3.990
  285   1HG1  VAL  34          1HG1      VAL  34   2.050  -5.244   2.301
  286   2HG1  VAL  34          2HG1      VAL  34   0.364  -5.053   1.675
  287   3HG1  VAL  34          3HG1      VAL  34   1.221  -3.633   2.369
  288   1HG2  VAL  34          1HG2      VAL  34  -0.222  -6.916   4.861
  289   2HG2  VAL  34          2HG2      VAL  34  -0.519  -6.853   3.087
  290   3HG2  VAL  34          3HG2      VAL  34   1.137  -7.162   3.708
  291    H    PHE  35           H        PHE  35   3.921  -3.978   5.028
  292    HA   PHE  35           HA       PHE  35   3.336  -1.142   5.235
  293   1HB   PHE  35          1HB       PHE  35   5.913  -2.806   5.452
  294   2HB   PHE  35          2HB       PHE  35   5.857  -1.013   5.614
  295    HD1  PHE  35           HD1      PHE  35   4.627   0.027   7.405
  296    HD2  PHE  35           HD2      PHE  35   5.085  -4.183   7.253
  297    HE1  PHE  35           HE1      PHE  35   4.081  -0.113   9.796
  298    HE2  PHE  35           HE2      PHE  35   4.515  -4.332   9.623
  299    HZ   PHE  35           HZ       PHE  35   4.028  -2.307  10.917
  300    H    VAL  36           H        VAL  36   4.011   0.444   3.833
  301    HA   VAL  36           HA       VAL  36   5.003  -0.515   1.244
  302    HB   VAL  36           HB       VAL  36   2.599  -0.331   1.136
  303   1HG1  VAL  36          1HG1      VAL  36   2.190   1.491   2.781
  304   2HG1  VAL  36          2HG1      VAL  36   3.015   2.674   1.709
  305   3HG1  VAL  36          3HG1      VAL  36   1.489   1.884   1.174
  306   1HG2  VAL  36          1HG2      VAL  36   4.078   0.034  -0.863
  307   2HG2  VAL  36          2HG2      VAL  36   2.553   0.996  -0.943
  308   3HG2  VAL  36          3HG2      VAL  36   4.105   1.797  -0.526
  309    H    HIS  37           H        HIS  37   6.482   0.605   0.291
  310    HA   HIS  37           HA       HIS  37   7.381   3.106   1.536
  311   1HB   HIS  37          1HB       HIS  37   8.789   1.118   2.017
  312   2HB   HIS  37          2HB       HIS  37   8.876   0.741   0.279
  313    HD1  HIS  37           HD1      HIS  37  11.218   1.256  -0.438
  314    HD2  HIS  37           HD2      HIS  37   9.867   4.122   2.288
  315    HE1  HIS  37           HE1      HIS  37  12.928   3.159  -0.415
  316    H    GLN  38           H        GLN  38   8.679   4.490   0.161
  317    HA   GLN  38           HA       GLN  38   7.334   5.659  -1.720
  318   1HB   GLN  38          1HB       GLN  38  10.385   5.421  -1.537
  319   2HB   GLN  38          2HB       GLN  38   9.497   6.756  -2.329
  320   1HG   GLN  38          1HG       GLN  38   8.592   7.516  -0.166
  321   2HG   GLN  38          2HG       GLN  38   9.341   6.124   0.698
  322   1HE2  GLN  38          2HE2      GLN  38  11.756   5.960   0.684
  323   2HE2  GLN  38          1HE2      GLN  38  12.657   7.453   0.555
  324    H    THR  39           H        THR  39  10.016   3.460  -2.575
  325    HA   THR  39           HA       THR  39   9.531   3.953  -5.331
  326    HB   THR  39           HB       THR  39  11.753   3.801  -4.314
  327    HG1  THR  39           HG1      THR  39  12.586   2.967  -6.069
  328   1HG2  THR  39          1HG2      THR  39  11.367   1.710  -2.901
  329   2HG2  THR  39          2HG2      THR  39  11.234   0.739  -4.422
  330   3HG2  THR  39          3HG2      THR  39  12.773   1.552  -4.013
  331    H    ALA  40           H        ALA  40   8.067   1.784  -3.221
  332    HA   ALA  40           HA       ALA  40   7.644  -0.308  -5.145
  333   1HB   ALA  40          1HB       ALA  40   6.343   0.375  -2.436
  334   2HB   ALA  40          2HB       ALA  40   6.104  -1.152  -3.357
  335   3HB   ALA  40          3HB       ALA  40   7.731  -0.751  -2.696
  336    H    ILE  41           H        ILE  41   6.249   2.757  -4.374
  337    HA   ILE  41           HA       ILE  41   3.671   2.230  -5.466
  338    HB   ILE  41           HB       ILE  41   5.101   4.724  -4.571
  339   1HG1  ILE  41          1HG1      ILE  41   2.795   3.203  -3.249
  340   2HG1  ILE  41          2HG1      ILE  41   4.504   2.868  -2.853
  341   1HG2  ILE  41          1HG2      ILE  41   2.148   4.331  -5.411
  342   2HG2  ILE  41          2HG2      ILE  41   2.825   5.799  -4.627
  343   3HG2  ILE  41          3HG2      ILE  41   3.375   5.349  -6.266
  344   1HD1  ILE  41          1HD1      ILE  41   3.124   5.600  -2.474
  345   2HD1  ILE  41          2HD1      ILE  41   3.561   4.415  -1.199
  346   3HD1  ILE  41          3HD1      ILE  41   4.856   5.229  -2.140
  347    H    LYS  42           H        LYS  42   3.065   2.323  -7.541
  348    HA   LYS  42           HA       LYS  42   5.051   3.141  -9.502
  349   1HB   LYS  42          1HB       LYS  42   2.407   1.619  -9.666
  350   2HB   LYS  42          2HB       LYS  42   3.363   2.062 -11.106
  351   1HG   LYS  42          1HG       LYS  42   4.413   0.276  -8.840
  352   2HG   LYS  42          2HG       LYS  42   3.666  -0.286 -10.365
  353   1HD   LYS  42          1HD       LYS  42   5.448   1.060 -11.637
  354   2HD   LYS  42          2HD       LYS  42   6.278   1.293 -10.059
  355   1HE   LYS  42          1HE       LYS  42   6.395  -1.239  -9.810
  356   2HE   LYS  42          2HE       LYS  42   5.662  -1.406 -11.450
  357   1HZ   LYS  42          1HZ       LYS  42   8.056   0.274 -11.069
  358   2HZ   LYS  42          2HZ       LYS  42   8.231  -1.393 -11.094
  359   3HZ   LYS  42          3HZ       LYS  42   7.574  -0.606 -12.442
  360    H    LYS  43           H        LYS  43   4.892   4.873 -10.783
  361    HA   LYS  43           HA       LYS  43   2.304   6.017 -11.335
  362   1HB   LYS  43          1HB       LYS  43   4.612   7.618 -10.126
  363   2HB   LYS  43          2HB       LYS  43   3.267   8.381 -11.028
  364   1HG   LYS  43          1HG       LYS  43   1.614   7.461  -9.436
  365   2HG   LYS  43          2HG       LYS  43   2.926   6.755  -8.449
  366   1HD   LYS  43          1HD       LYS  43   2.567   9.760  -9.067
  367   2HD   LYS  43          2HD       LYS  43   1.995   8.912  -7.602
  368   1HE   LYS  43          1HE       LYS  43   4.431   8.251  -7.110
  369   2HE   LYS  43          2HE       LYS  43   4.942   9.386  -8.421
  370   1HZ   LYS  43          1HZ       LYS  43   3.266  10.059  -6.064
  371   2HZ   LYS  43          2HZ       LYS  43   4.901  10.406  -6.185
  372   3HZ   LYS  43          3HZ       LYS  43   3.776  11.169  -7.209
  373    H    ASN  44           H        ASN  44   2.149   6.458 -13.405
  374    HA   ASN  44           HA       ASN  44   4.418   6.509 -15.129
  375   1HB   ASN  44          1HB       ASN  44   2.271   5.551 -15.889
  376   2HB   ASN  44          2HB       ASN  44   1.440   7.111 -15.586
  377   1HD2  ASN  44          2HD2      ASN  44   4.094   5.607 -17.570
  378   2HD2  ASN  44          1HD2      ASN  44   3.996   6.774 -18.847
  379    H    ASN  45           H        ASN  45   1.840   9.001 -14.931
  380    HA   ASN  45           HA       ASN  45   3.956  11.014 -15.077
  381   1HB   ASN  45          1HB       ASN  45   2.255  10.791 -16.942
  382   2HB   ASN  45          2HB       ASN  45   0.984  11.322 -15.778
  383   1HD2  ASN  45          2HD2      ASN  45   1.084  12.897 -17.847
  384   2HD2  ASN  45          1HD2      ASN  45   2.072  14.320 -17.626
  385    HA   PRO  46           HA       PRO  46   2.212  11.723 -10.941
  386   1HB   PRO  46          1HB       PRO  46   4.103  13.371  -9.891
  387   2HB   PRO  46          2HB       PRO  46   4.387  11.630 -10.157
  388   1HG   PRO  46          1HG       PRO  46   5.207  13.912 -12.030
  389   2HG   PRO  46          2HG       PRO  46   6.254  12.563 -11.407
  390   1HD   PRO  46          1HD       PRO  46   4.976  12.484 -13.875
  391   2HD   PRO  46          2HD       PRO  46   5.175  10.963 -12.846
  392    H    ARG  47           H        ARG  47   0.357  12.719 -11.904
  393    HA   ARG  47           HA       ARG  47   0.500  15.660 -11.959
  394   1HB   ARG  47          1HB       ARG  47  -1.477  13.620 -13.079
  395   2HB   ARG  47          2HB       ARG  47  -1.885  15.353 -12.960
  396   1HG   ARG  47          1HG       ARG  47  -0.068  15.997 -14.436
  397   2HG   ARG  47          2HG       ARG  47   0.474  14.291 -14.606
  398   1HD   ARG  47          1HD       ARG  47  -1.586  13.648 -15.744
  399   2HD   ARG  47          2HD       ARG  47  -2.399  15.194 -15.264
  400    HE   ARG  47           HE       ARG  47  -0.120  15.962 -16.776
  401   1HH1  ARG  47          1HH1      ARG  47  -0.345  16.607 -18.996
  402   2HH1  ARG  47          2HH1      ARG  47  -1.971  16.622 -19.626
  403   1HH2  ARG  47          1HH2      ARG  47  -3.384  14.527 -17.261
  404   2HH2  ARG  47          2HH2      ARG  47  -3.636  15.615 -18.613
  405    H    LYS  48           H        LYS  48  -1.578  16.683 -11.151
  406    HA   LYS  48           HA       LYS  48  -1.896  16.241  -8.478
  407   1HB   LYS  48          1HB       LYS  48  -2.294  18.346  -9.725
  408   2HB   LYS  48          2HB       LYS  48  -3.713  17.629 -10.511
  409   1HG   LYS  48          1HG       LYS  48  -4.442  19.131  -8.780
  410   2HG   LYS  48          2HG       LYS  48  -4.850  17.479  -8.247
  411   1HD   LYS  48          1HD       LYS  48  -2.692  17.442  -6.880
  412   2HD   LYS  48          2HD       LYS  48  -2.479  19.171  -7.257
  413   1HE   LYS  48          1HE       LYS  48  -4.893  17.903  -5.764
  414   2HE   LYS  48          2HE       LYS  48  -3.499  18.772  -5.014
  415   1HZ   LYS  48          1HZ       LYS  48  -4.115  20.699  -6.430
  416   2HZ   LYS  48          2HZ       LYS  48  -5.586  19.923  -6.812
  417   3HZ   LYS  48          3HZ       LYS  48  -5.196  20.370  -5.227
  418    H    TYR  49           H        TYR  49  -4.199  15.364 -11.033
  419    HA   TYR  49           HA       TYR  49  -5.976  14.211 -11.158
  420   1HB   TYR  49          1HB       TYR  49  -4.895  12.581  -8.812
  421   2HB   TYR  49          2HB       TYR  49  -6.425  12.195  -9.651
  422    HD1  TYR  49           HD1      TYR  49  -6.450  11.207 -11.780
  423    HD2  TYR  49           HD2      TYR  49  -2.807  12.474 -10.038
  424    HE1  TYR  49           HE1      TYR  49  -5.220   9.973 -13.502
  425    HE2  TYR  49           HE2      TYR  49  -1.546  11.287 -11.788
  426    HH   TYR  49           HH       TYR  49  -2.887   8.965 -13.713
  427    H    LEU  50           H        LEU  50  -8.142  13.759 -10.422
  428    HA   LEU  50           HA       LEU  50  -8.944  15.614  -8.313
  429   1HB   LEU  50          1HB       LEU  50 -10.165  15.508 -10.489
  430   2HB   LEU  50          2HB       LEU  50 -10.572  13.804 -10.146
  431    HG   LEU  50           HG       LEU  50 -11.890  14.524  -8.137
  432   1HD1  LEU  50          1HD1      LEU  50 -11.267  17.391  -9.112
  433   2HD1  LEU  50          2HD1      LEU  50 -12.466  16.943  -7.841
  434   3HD1  LEU  50          3HD1      LEU  50 -10.710  16.684  -7.552
  435   1HD2  LEU  50          1HD2      LEU  50 -12.979  14.239 -10.366
  436   2HD2  LEU  50          2HD2      LEU  50 -13.770  15.522  -9.380
  437   3HD2  LEU  50          3HD2      LEU  50 -12.665  15.977 -10.735
  438    H    ARG  51           H        ARG  51  -9.941  14.924  -6.371
  439    HA   ARG  51           HA       ARG  51  -9.299  12.189  -5.630
  440   1HB   ARG  51          1HB       ARG  51  -9.834  14.722  -4.201
  441   2HB   ARG  51          2HB       ARG  51 -10.578  13.304  -3.425
  442   1HG   ARG  51          1HG       ARG  51  -7.616  13.442  -4.206
  443   2HG   ARG  51          2HG       ARG  51  -8.263  13.887  -2.595
  444   1HD   ARG  51          1HD       ARG  51  -9.117  11.571  -2.257
  445   2HD   ARG  51          2HD       ARG  51  -8.563  11.108  -3.915
  446    HE   ARG  51           HE       ARG  51  -6.380  12.235  -2.278
  447   1HH1  ARG  51          1HH1      ARG  51  -4.945  10.742  -1.245
  448   2HH1  ARG  51          2HH1      ARG  51  -4.948   9.098  -1.743
  449   1HH2  ARG  51          1HH2      ARG  51  -8.197   9.258  -2.971
  450   2HH2  ARG  51          2HH2      ARG  51  -6.927   8.227  -2.517
  451    H    SER  52           H        SER  52 -10.572  10.673  -6.301
  452    HA   SER  52           HA       SER  52 -13.463  11.110  -6.390
  453   1HB   SER  52          1HB       SER  52 -12.353  10.212  -8.426
  454   2HB   SER  52          2HB       SER  52 -11.753   8.811  -7.479
  455    HG   SER  52           HG       SER  52 -13.758   8.484  -8.657
  456    H    VAL  53           H        VAL  53 -11.032   8.738  -5.248
  457    HA   VAL  53           HA       VAL  53 -12.889   7.972  -3.095
  458    HB   VAL  53           HB       VAL  53 -11.574   5.926  -2.894
  459   1HG1  VAL  53          1HG1      VAL  53 -13.707   6.016  -4.171
  460   2HG1  VAL  53          2HG1      VAL  53 -12.803   6.422  -5.676
  461   3HG1  VAL  53          3HG1      VAL  53 -12.557   4.829  -4.877
  462   1HG2  VAL  53          1HG2      VAL  53  -9.408   6.740  -3.947
  463   2HG2  VAL  53          2HG2      VAL  53 -10.035   5.241  -4.712
  464   3HG2  VAL  53          3HG2      VAL  53 -10.245   6.816  -5.544
  465    H    GLY  54           H        GLY  54 -11.999   7.659  -1.000
  466   1HA   GLY  54          1HA       GLY  54 -10.588   9.742  -0.036
  467   2HA   GLY  54          2HA       GLY  54  -9.330   8.507  -0.436
  468    H    ASP  55           H        ASP  55 -12.459   8.824   1.314
  469    HA   ASP  55           HA       ASP  55 -11.311   7.560   3.583
  470   1HB   ASP  55          1HB       ASP  55 -13.035   9.447   3.529
  471   2HB   ASP  55          2HB       ASP  55 -14.258   8.230   3.010
  472    H    GLY  56           H        GLY  56 -10.872   5.435   3.599
  473   1HA   GLY  56          1HA       GLY  56 -12.831   3.501   2.845
  474   2HA   GLY  56          2HA       GLY  56 -11.141   3.250   3.390
  475    H    GLU  57           H        GLU  57  -9.814   4.766   1.388
  476    HA   GLU  57           HA       GLU  57 -10.762   3.887  -1.134
  477   1HB   GLU  57          1HB       GLU  57  -8.998   5.047  -2.168
  478   2HB   GLU  57          2HB       GLU  57  -9.621   6.057  -0.832
  479   1HG   GLU  57          1HG       GLU  57  -7.669   5.307   0.590
  480   2HG   GLU  57          2HG       GLU  57  -7.021   4.365  -0.810
  481    H    THR  58           H        THR  58  -9.642   2.797  -2.787
  482    HA   THR  58           HA       THR  58  -8.263   0.444  -1.820
  483    HB   THR  58           HB       THR  58  -9.128  -0.313  -4.203
  484    HG1  THR  58           HG1      THR  58 -10.228   1.226  -4.983
  485   1HG2  THR  58          1HG2      THR  58 -10.889   0.037  -1.680
  486   2HG2  THR  58          2HG2      THR  58 -11.176  -1.137  -3.009
  487   3HG2  THR  58          3HG2      THR  58  -9.707  -1.278  -1.964
  488    H    VAL  59           H        VAL  59  -6.610  -0.385  -2.917
  489    HA   VAL  59           HA       VAL  59  -5.434   0.853  -5.196
  490    HB   VAL  59           HB       VAL  59  -4.630   2.290  -3.364
  491   1HG1  VAL  59          1HG1      VAL  59  -4.623   0.646  -1.475
  492   2HG1  VAL  59          2HG1      VAL  59  -3.233  -0.228  -2.255
  493   3HG1  VAL  59          3HG1      VAL  59  -3.044   1.457  -1.691
  494   1HG2  VAL  59          1HG2      VAL  59  -3.264   1.972  -5.403
  495   2HG2  VAL  59          2HG2      VAL  59  -2.239   2.198  -3.947
  496   3HG2  VAL  59          3HG2      VAL  59  -2.427   0.551  -4.642
  497    H    GLU  60           H        GLU  60  -3.945  -0.718  -6.238
  498    HA   GLU  60           HA       GLU  60  -4.193  -3.377  -5.028
  499   1HB   GLU  60          1HB       GLU  60  -3.045  -2.574  -7.755
  500   2HB   GLU  60          2HB       GLU  60  -3.300  -4.243  -7.145
  501   1HG   GLU  60          1HG       GLU  60  -5.743  -3.946  -7.227
  502   2HG   GLU  60          2HG       GLU  60  -5.558  -2.261  -7.854
  503    H    PHE  61           H        PHE  61  -2.647  -4.582  -4.471
  504    HA   PHE  61           HA       PHE  61   0.122  -3.768  -4.936
  505   1HB   PHE  61          1HB       PHE  61   0.644  -3.972  -2.444
  506   2HB   PHE  61          2HB       PHE  61  -0.327  -2.547  -2.916
  507    HD1  PHE  61           HD1      PHE  61  -2.694  -2.414  -2.392
  508    HD2  PHE  61           HD2      PHE  61  -0.395  -5.761  -1.188
  509    HE1  PHE  61           HE1      PHE  61  -4.380  -2.950  -0.703
  510    HE2  PHE  61           HE2      PHE  61  -2.091  -6.311   0.521
  511    HZ   PHE  61           HZ       PHE  61  -4.080  -4.911   0.747
  512    H    ASP  62           H        ASP  62   1.685  -5.448  -4.142
  513    HA   ASP  62           HA       ASP  62   0.445  -8.134  -4.036
  514   1HB   ASP  62          1HB       ASP  62   3.281  -7.186  -4.794
  515   2HB   ASP  62          2HB       ASP  62   2.792  -8.914  -4.674
  516    H    VAL  63           H        VAL  63   0.789  -9.313  -2.093
  517    HA   VAL  63           HA       VAL  63   2.179  -7.868   0.005
  518    HB   VAL  63           HB       VAL  63   0.548 -10.426   0.118
  519   1HG1  VAL  63          1HG1      VAL  63   1.708  -8.527   2.277
  520   2HG1  VAL  63          2HG1      VAL  63   0.575  -9.897   2.597
  521   3HG1  VAL  63          3HG1      VAL  63   2.230 -10.230   1.989
  522   1HG2  VAL  63          1HG2      VAL  63  -0.159  -7.520   0.879
  523   2HG2  VAL  63          2HG2      VAL  63  -0.902  -8.466  -0.479
  524   3HG2  VAL  63          3HG2      VAL  63  -1.161  -8.977   1.227
  525    H    VAL  64           H        VAL  64   4.397  -8.163  -0.710
  526    HA   VAL  64           HA       VAL  64   5.245 -10.968  -0.770
  527    HB   VAL  64           HB       VAL  64   6.892 -10.092  -2.521
  528   1HG1  VAL  64          1HG1      VAL  64   3.889 -10.527  -3.123
  529   2HG1  VAL  64          2HG1      VAL  64   5.189 -10.545  -4.359
  530   3HG1  VAL  64          3HG1      VAL  64   5.177 -11.785  -3.060
  531   1HG2  VAL  64          1HG2      VAL  64   6.234  -7.622  -2.276
  532   2HG2  VAL  64          2HG2      VAL  64   6.083  -8.280  -3.950
  533   3HG2  VAL  64          3HG2      VAL  64   4.615  -8.051  -2.950
  534    H    GLU  65           H        GLU  65   6.331 -11.250   1.043
  535    HA   GLU  65           HA       GLU  65   8.705  -9.601   1.329
  536   1HB   GLU  65          1HB       GLU  65   7.016  -8.627   2.791
  537   2HB   GLU  65          2HB       GLU  65   6.675 -10.217   3.535
  538   1HG   GLU  65          1HG       GLU  65   8.100  -8.405   4.826
  539   2HG   GLU  65          2HG       GLU  65   8.645 -10.105   4.877
  540    H    GLY  66           H        GLY  66   7.998 -11.639   3.886
  541   1HA   GLY  66          1HA       GLY  66  10.223 -13.309   2.948
  542   2HA   GLY  66          2HA       GLY  66   8.735 -14.104   3.578
  543    H    GLU  67           H        GLU  67  10.779 -11.312   4.614
  544    HA   GLU  67           HA       GLU  67  11.458 -12.863   7.000
  545   1HB   GLU  67          1HB       GLU  67  12.778 -10.444   5.691
  546   2HB   GLU  67          2HB       GLU  67  13.319 -11.234   7.206
  547   1HG   GLU  67          1HG       GLU  67  13.497 -13.440   5.912
  548   2HG   GLU  67          2HG       GLU  67  13.243 -12.505   4.394
  549    H    LYS  68           H        LYS  68  10.928  -9.357   6.345
  550    HA   LYS  68           HA       LYS  68  10.379  -9.054   9.145
  551   1HB   LYS  68          1HB       LYS  68  10.506  -6.619   8.570
  552   2HB   LYS  68          2HB       LYS  68  11.970  -7.569   8.203
  553   1HG   LYS  68          1HG       LYS  68  11.504  -7.602   5.825
  554   2HG   LYS  68          2HG       LYS  68   9.855  -6.937   6.090
  555   1HD   LYS  68          1HD       LYS  68  10.831  -4.801   6.896
  556   2HD   LYS  68          2HD       LYS  68  12.483  -5.467   6.746
  557   1HE   LYS  68          1HE       LYS  68  11.813  -3.928   4.839
  558   2HE   LYS  68          2HE       LYS  68  12.304  -5.579   4.284
  559   1HZ   LYS  68          1HZ       LYS  68   9.449  -4.913   4.818
  560   2HZ   LYS  68          2HZ       LYS  68  10.153  -4.637   3.311
  561   3HZ   LYS  68          3HZ       LYS  68  10.105  -6.176   3.934
  562    H    GLY  69           H        GLY  69   8.285 -10.439   8.528
  563   1HA   GLY  69          1HA       GLY  69   6.092  -8.583   8.845
  564   2HA   GLY  69          2HA       GLY  69   6.028 -10.370   8.860
  565    H    ALA  70           H        ALA  70   4.967  -7.712   7.197
  566    HA   ALA  70           HA       ALA  70   5.395  -8.990   4.591
  567   1HB   ALA  70          1HB       ALA  70   3.070  -8.376   3.925
  568   2HB   ALA  70          2HB       ALA  70   3.060  -9.463   5.352
  569   3HB   ALA  70          3HB       ALA  70   2.785  -7.708   5.591
  570    H    GLU  71           H        GLU  71   4.764  -7.474   2.769
  571    HA   GLU  71           HA       GLU  71   5.434  -4.723   3.143
  572   1HB   GLU  71          1HB       GLU  71   7.662  -5.560   3.035
  573   2HB   GLU  71          2HB       GLU  71   7.250  -6.788   1.817
  574   1HG   GLU  71          1HG       GLU  71   7.244  -5.285   0.032
  575   2HG   GLU  71          2HG       GLU  71   7.088  -3.830   1.092
  576    H    ALA  72           H        ALA  72   5.357  -3.810   0.733
  577    HA   ALA  72           HA       ALA  72   3.258  -5.120  -0.815
  578   1HB   ALA  72          1HB       ALA  72   3.184  -2.291   0.384
  579   2HB   ALA  72          2HB       ALA  72   1.935  -3.585   0.486
  580   3HB   ALA  72          3HB       ALA  72   2.204  -2.761  -1.060
  581    H    ALA  73           H        ALA  73   3.705  -5.015  -2.879
  582    HA   ALA  73           HA       ALA  73   5.638  -3.044  -3.889
  583   1HB   ALA  73          1HB       ALA  73   6.786  -5.280  -3.529
  584   2HB   ALA  73          2HB       ALA  73   5.529  -6.045  -4.559
  585   3HB   ALA  73          3HB       ALA  73   6.688  -4.852  -5.263
  586    H    ASN  74           H        ASN  74   5.482  -2.777  -6.185
  587    HA   ASN  74           HA       ASN  74   4.433  -2.159  -7.955
  588   1HB   ASN  74          1HB       ASN  74   2.908  -4.787  -7.632
  589   2HB   ASN  74          2HB       ASN  74   3.116  -3.861  -9.165
  590   1HD2  ASN  74          2HD2      ASN  74   4.022  -6.647  -8.259
  591   2HD2  ASN  74          1HD2      ASN  74   5.681  -6.654  -8.804
  592    H    VAL  75           H        VAL  75   3.523  -0.691  -5.985
  593    HA   VAL  75           HA       VAL  75   0.750  -1.169  -5.557
  594    HB   VAL  75           HB       VAL  75   2.444   1.000  -4.354
  595   1HG1  VAL  75          1HG1      VAL  75  -0.217  -0.400  -3.589
  596   2HG1  VAL  75          2HG1      VAL  75   0.687   0.755  -2.539
  597   3HG1  VAL  75          3HG1      VAL  75  -0.025   1.322  -4.096
  598   1HG2  VAL  75          1HG2      VAL  75   2.013  -1.971  -3.630
  599   2HG2  VAL  75          2HG2      VAL  75   3.575  -1.123  -3.906
  600   3HG2  VAL  75          3HG2      VAL  75   2.586  -0.746  -2.459
  601    H    THR  76           H        THR  76  -0.720  -0.543  -6.968
  602    HA   THR  76           HA       THR  76  -0.471   2.103  -8.176
  603    HB   THR  76           HB       THR  76  -1.529  -0.053  -9.945
  604    HG1  THR  76           HG1      THR  76   0.381  -0.971  -9.299
  605   1HG2  THR  76          1HG2      THR  76   0.259   2.462 -10.305
  606   2HG2  THR  76          2HG2      THR  76  -0.330   1.397 -11.623
  607   3HG2  THR  76          3HG2      THR  76  -1.505   2.357 -10.679
  608    H    GLY  77           H        GLY  77  -2.436   3.031  -8.851
  609   1HA   GLY  77          1HA       GLY  77  -4.378   3.327  -7.341
  610   2HA   GLY  77          2HA       GLY  77  -4.858   1.672  -7.905
  611    HA   PRO  78           HA       PRO  78  -6.839   3.380 -11.202
  612   1HB   PRO  78          1HB       PRO  78  -9.140   4.662 -10.384
  613   2HB   PRO  78          2HB       PRO  78  -8.818   2.928 -10.021
  614   1HG   PRO  78          1HG       PRO  78  -8.258   5.313  -8.155
  615   2HG   PRO  78          2HG       PRO  78  -9.207   3.801  -7.792
  616   1HD   PRO  78          1HD       PRO  78  -6.522   4.059  -7.164
  617   2HD   PRO  78          2HD       PRO  78  -7.210   2.473  -7.746
  618    H    GLY  79           H        GLY  79  -7.487   5.106 -12.655
  619   1HA   GLY  79          1HA       GLY  79  -5.814   7.421 -12.323
  620   2HA   GLY  79          2HA       GLY  79  -7.605   7.670 -12.410

  No H/Q in entry =         620
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   7.109 -17.013   5.620
    2    H2   MET   1           H2       MET   1   7.059 -16.828   7.265
    3    H3   MET   1           H3       MET   1   6.495 -15.581   6.289
    4    HA   MET   1           HA       MET   1   8.416 -14.656   6.707
    5   1HB   MET   1          1HB       MET   1   8.963 -16.430   8.367
    6   2HB   MET   1          2HB       MET   1   9.699 -17.421   7.091
    7   1HG   MET   1          1HG       MET   1  11.414 -15.608   6.724
    8   2HG   MET   1          2HG       MET   1  10.564 -14.568   7.905
    9   1HE   MET   1          1HE       MET   1  12.429 -14.013   9.285
   10   2HE   MET   1          2HE       MET   1  13.723 -15.131   9.829
   11   3HE   MET   1          3HE       MET   1  13.461 -14.841   8.076
   12    H    LYS   2           H        LYS   2   9.863 -17.511   5.030
   13    HA   LYS   2           HA       LYS   2  10.786 -15.725   2.999
   14   1HB   LYS   2          1HB       LYS   2  12.083 -17.498   2.180
   15   2HB   LYS   2          2HB       LYS   2  12.158 -17.533   3.961
   16   1HG   LYS   2          1HG       LYS   2  10.239 -19.342   3.782
   17   2HG   LYS   2          2HG       LYS   2  10.733 -19.480   2.075
   18   1HD   LYS   2          1HD       LYS   2  12.451 -19.877   4.589
   19   2HD   LYS   2          2HD       LYS   2  11.807 -21.175   3.552
   20   1HE   LYS   2          1HE       LYS   2  13.993 -19.121   2.768
   21   2HE   LYS   2          2HE       LYS   2  14.223 -20.852   3.218
   22   1HZ   LYS   2          1HZ       LYS   2  12.612 -21.281   1.281
   23   2HZ   LYS   2          2HZ       LYS   2  13.006 -19.720   0.775
   24   3HZ   LYS   2          3HZ       LYS   2  14.221 -20.875   0.941
   25    H    LYS   3           H        LYS   3   8.081 -17.988   3.328
   26    HA   LYS   3           HA       LYS   3   7.393 -17.713   0.549
   27   1HB   LYS   3          1HB       LYS   3   5.600 -18.654   2.827
   28   2HB   LYS   3          2HB       LYS   3   5.357 -18.887   1.074
   29   1HG   LYS   3          1HG       LYS   3   7.467 -20.353   1.084
   30   2HG   LYS   3          2HG       LYS   3   7.479 -20.198   2.868
   31   1HD   LYS   3          1HD       LYS   3   4.921 -20.946   2.691
   32   2HD   LYS   3          2HD       LYS   3   5.348 -21.415   1.030
   33   1HE   LYS   3          1HE       LYS   3   5.463 -23.407   2.399
   34   2HE   LYS   3          2HE       LYS   3   7.175 -22.965   2.020
   35   1HZ   LYS   3          1HZ       LYS   3   6.146 -21.714   4.415
   36   2HZ   LYS   3          2HZ       LYS   3   6.079 -23.398   4.471
   37   3HZ   LYS   3          3HZ       LYS   3   7.559 -22.613   4.185
   38    H    VAL   4           H        VAL   4   5.558 -16.614  -0.252
   39    HA   VAL   4           HA       VAL   4   4.717 -14.340   1.415
   40    HB   VAL   4           HB       VAL   4   4.848 -12.881  -0.411
   41   1HG1  VAL   4          1HG1      VAL   4   6.990 -13.511   0.970
   42   2HG1  VAL   4          2HG1      VAL   4   7.481 -14.524  -0.424
   43   3HG1  VAL   4          3HG1      VAL   4   7.288 -12.755  -0.643
   44   1HG2  VAL   4          1HG2      VAL   4   5.778 -15.300  -2.099
   45   2HG2  VAL   4          2HG2      VAL   4   4.235 -14.366  -2.306
   46   3HG2  VAL   4          3HG2      VAL   4   5.826 -13.588  -2.619
   47    H    ILE   5           H        ILE   5   2.486 -13.310   0.520
   48    HA   ILE   5           HA       ILE   5   0.891 -15.687   0.152
   49    HB   ILE   5           HB       ILE   5  -0.018 -12.862   0.639
   50   1HG1  ILE   5          1HG1      ILE   5  -0.549 -14.323   2.889
   51   2HG1  ILE   5          2HG1      ILE   5   0.972 -15.110   2.426
   52   1HG2  ILE   5          1HG2      ILE   5  -1.372 -15.655   0.733
   53   2HG2  ILE   5          2HG2      ILE   5  -2.105 -14.118   1.280
   54   3HG2  ILE   5          3HG2      ILE   5  -1.740 -14.333  -0.454
   55   1HD1  ILE   5          1HD1      ILE   5   2.013 -12.696   2.315
   56   2HD1  ILE   5          2HD1      ILE   5   0.447 -12.134   3.031
   57   3HD1  ILE   5          3HD1      ILE   5   1.492 -13.277   3.947
   58    H    ALA   6           H        ALA   6   0.999 -12.489  -1.512
   59    HA   ALA   6           HA       ALA   6   0.541 -13.869  -4.028
   60   1HB   ALA   6          1HB       ALA   6  -1.853 -12.888  -4.243
   61   2HB   ALA   6          2HB       ALA   6  -1.708 -14.146  -2.960
   62   3HB   ALA   6          3HB       ALA   6  -1.719 -12.392  -2.537
   63    H    THR   7           H        THR   7   0.441 -12.643  -5.865
   64    HA   THR   7           HA       THR   7   0.917  -9.775  -5.590
   65    HB   THR   7           HB       THR   7   1.634  -9.899  -7.921
   66    HG1  THR   7           HG1      THR   7   1.896 -11.965  -8.801
   67   1HG2  THR   7          1HG2      THR   7   3.265 -10.438  -6.012
   68   2HG2  THR   7          2HG2      THR   7   2.883 -12.177  -6.218
   69   3HG2  THR   7          3HG2      THR   7   3.662 -11.258  -7.567
   70    H    LYS   8           H        LYS   8  -0.249  -8.258  -6.717
   71    HA   LYS   8           HA       LYS   8  -2.084  -7.225  -7.109
   72   1HB   LYS   8          1HB       LYS   8  -2.752  -9.537  -8.933
   73   2HB   LYS   8          2HB       LYS   8  -3.535  -7.925  -8.939
   74   1HG   LYS   8          1HG       LYS   8  -1.261  -6.873  -9.280
   75   2HG   LYS   8          2HG       LYS   8  -0.544  -8.510  -9.447
   76   1HD   LYS   8          1HD       LYS   8  -1.921  -8.937 -11.472
   77   2HD   LYS   8          2HD       LYS   8  -2.745  -7.360 -11.266
   78   1HE   LYS   8          1HE       LYS   8  -0.550  -6.161 -11.505
   79   2HE   LYS   8          2HE       LYS   8   0.289  -7.737 -11.736
   80   1HZ   LYS   8          1HZ       LYS   8  -1.874  -6.663 -13.491
   81   2HZ   LYS   8          2HZ       LYS   8  -0.199  -6.616 -13.808
   82   3HZ   LYS   8          3HZ       LYS   8  -1.017  -8.098 -13.715
   83    H    VAL   9           H        VAL   9  -2.533  -7.305  -4.964
   84    HA   VAL   9           HA       VAL   9  -4.943  -8.754  -4.132
   85    HB   VAL   9           HB       VAL   9  -2.537  -7.771  -2.520
   86   1HG1  VAL   9          1HG1      VAL   9  -4.925  -9.645  -1.858
   87   2HG1  VAL   9          2HG1      VAL   9  -3.460  -9.458  -0.810
   88   3HG1  VAL   9          3HG1      VAL   9  -4.542  -8.061  -1.091
   89   1HG2  VAL   9          1HG2      VAL   9  -3.108 -10.593  -3.616
   90   2HG2  VAL   9          2HG2      VAL   9  -1.681  -9.538  -3.988
   91   3HG2  VAL   9          3HG2      VAL   9  -1.898 -10.192  -2.340
   92    H    LEU  10           H        LEU  10  -6.244  -7.468  -2.576
   93    HA   LEU  10           HA       LEU  10  -5.402  -4.657  -2.365
   94   1HB   LEU  10          1HB       LEU  10  -8.265  -5.627  -2.840
   95   2HB   LEU  10          2HB       LEU  10  -7.793  -3.953  -2.417
   96    HG   LEU  10           HG       LEU  10  -6.139  -4.338  -4.547
   97   1HD1  LEU  10          1HD1      LEU  10  -8.657  -6.006  -5.174
   98   2HD1  LEU  10          2HD1      LEU  10  -7.448  -5.452  -6.398
   99   3HD1  LEU  10          3HD1      LEU  10  -6.965  -6.609  -5.110
  100   1HD2  LEU  10          1HD2      LEU  10  -9.071  -3.398  -4.646
  101   2HD2  LEU  10          2HD2      LEU  10  -7.605  -2.420  -4.203
  102   3HD2  LEU  10          3HD2      LEU  10  -7.792  -3.042  -5.888
  103    H    GLY  11           H        GLY  11  -6.642  -3.490  -0.657
  104   1HA   GLY  11          1HA       GLY  11  -5.940  -4.369   1.796
  105   2HA   GLY  11          2HA       GLY  11  -7.676  -4.875   1.541
  106    H    THR  12           H        THR  12  -7.242  -3.064   3.526
  107    HA   THR  12           HA       THR  12  -8.528  -0.724   2.262
  108    HB   THR  12           HB       THR  12  -8.867  -1.877   5.049
  109    HG1  THR  12           HG1      THR  12 -11.020  -2.053   3.957
  110   1HG2  THR  12          1HG2      THR  12 -10.295   0.367   3.461
  111   2HG2  THR  12          2HG2      THR  12 -10.851  -0.289   5.054
  112   3HG2  THR  12          3HG2      THR  12  -9.312   0.625   4.949
  113    H    VAL  13           H        VAL  13  -7.736   1.195   2.428
  114    HA   VAL  13           HA       VAL  13  -5.386   1.736   4.018
  115    HB   VAL  13           HB       VAL  13  -6.853   3.486   2.019
  116   1HG1  VAL  13          1HG1      VAL  13  -3.952   3.465   3.105
  117   2HG1  VAL  13          2HG1      VAL  13  -4.534   4.485   1.756
  118   3HG1  VAL  13          3HG1      VAL  13  -5.190   4.748   3.402
  119   1HG2  VAL  13          1HG2      VAL  13  -4.612   1.410   1.555
  120   2HG2  VAL  13          2HG2      VAL  13  -6.275   1.397   0.828
  121   3HG2  VAL  13          3HG2      VAL  13  -5.116   2.683   0.385
  122    H    LYS  14           H        LYS  14  -5.273   3.357   5.604
  123    HA   LYS  14           HA       LYS  14  -7.757   4.757   6.218
  124   1HB   LYS  14          1HB       LYS  14  -6.818   3.342   8.021
  125   2HB   LYS  14          2HB       LYS  14  -5.321   4.322   8.011
  126   1HG   LYS  14          1HG       LYS  14  -6.717   6.360   8.587
  127   2HG   LYS  14          2HG       LYS  14  -8.195   5.359   8.574
  128   1HD   LYS  14          1HD       LYS  14  -5.763   4.967  10.430
  129   2HD   LYS  14          2HD       LYS  14  -7.226   5.865  10.873
  130   1HE   LYS  14          1HE       LYS  14  -7.153   2.848  10.204
  131   2HE   LYS  14          2HE       LYS  14  -7.173   3.582  11.849
  132   1HZ   LYS  14          1HZ       LYS  14  -9.324   4.676  11.150
  133   2HZ   LYS  14          2HZ       LYS  14  -9.323   3.701   9.796
  134   3HZ   LYS  14          3HZ       LYS  14  -9.339   2.980  11.320
  135    H    TRP  15           H        TRP  15  -4.396   5.682   6.937
  136    HA   TRP  15           HA       TRP  15  -4.416   7.675   4.891
  137   1HB   TRP  15          1HB       TRP  15  -5.830   8.601   6.854
  138   2HB   TRP  15          2HB       TRP  15  -4.334   8.615   7.819
  139    HD1  TRP  15           HD1      TRP  15  -2.432  10.531   6.891
  140    HE1  TRP  15           HE1      TRP  15  -2.879  12.786   5.733
  141    HE3  TRP  15           HE3      TRP  15  -7.169   9.667   5.290
  142    HZ2  TRP  15           HZ2      TRP  15  -4.911  13.937   4.144
  143    HZ3  TRP  15           HZ3      TRP  15  -8.327  11.404   4.024
  144    HH2  TRP  15           HH2      TRP  15  -7.229  13.494   3.449
  145    H    PHE  16           H        PHE  16  -2.306   8.364   4.439
  146    HA   PHE  16           HA       PHE  16  -0.265   6.759   5.784
  147   1HB   PHE  16          1HB       PHE  16  -0.227   8.329   3.155
  148   2HB   PHE  16          2HB       PHE  16   1.132   7.324   3.771
  149    HD1  PHE  16           HD1      PHE  16  -0.717   7.260   1.230
  150    HD2  PHE  16           HD2      PHE  16  -0.337   4.898   4.746
  151    HE1  PHE  16           HE1      PHE  16  -1.414   5.272  -0.023
  152    HE2  PHE  16           HE2      PHE  16  -1.008   2.924   3.500
  153    HZ   PHE  16           HZ       PHE  16  -1.559   3.102   1.100
  154    H    ASN  17           H        ASN  17   1.855   7.575   6.248
  155    HA   ASN  17           HA       ASN  17   1.792  10.375   7.100
  156   1HB   ASN  17          1HB       ASN  17   2.371   8.720   8.839
  157   2HB   ASN  17          2HB       ASN  17   3.671   8.069   7.773
  158   1HD2  ASN  17          2HD2      ASN  17   5.596   8.733   8.634
  159   2HD2  ASN  17          1HD2      ASN  17   5.996  10.357   9.101
  160    H    VAL  18           H        VAL  18   2.121  11.475   5.160
  161    HA   VAL  18           HA       VAL  18   3.930  10.509   3.250
  162    HB   VAL  18           HB       VAL  18   3.498  12.801   2.212
  163   1HG1  VAL  18          1HG1      VAL  18   2.286  10.668   1.622
  164   2HG1  VAL  18          2HG1      VAL  18   1.097  10.985   2.929
  165   3HG1  VAL  18          3HG1      VAL  18   1.204  12.117   1.527
  166   1HG2  VAL  18          1HG2      VAL  18   2.891  14.044   4.324
  167   2HG2  VAL  18          2HG2      VAL  18   1.612  14.096   3.064
  168   3HG2  VAL  18          3HG2      VAL  18   1.408  13.020   4.488
  169    H    ARG  19           H        ARG  19   4.370  12.847   5.780
  170    HA   ARG  19           HA       ARG  19   6.601  14.143   4.769
  171   1HB   ARG  19          1HB       ARG  19   5.362  14.912   6.729
  172   2HB   ARG  19          2HB       ARG  19   5.891  13.467   7.649
  173   1HG   ARG  19          1HG       ARG  19   8.295  14.267   7.487
  174   2HG   ARG  19          2HG       ARG  19   7.719  15.722   6.625
  175   1HD   ARG  19          1HD       ARG  19   6.408  16.428   8.648
  176   2HD   ARG  19          2HD       ARG  19   6.855  14.865   9.457
  177    HE   ARG  19           HE       ARG  19   9.248  16.311   8.556
  178   1HH1  ARG  19          1HH1      ARG  19  10.597  17.371  10.148
  179   2HH1  ARG  19          2HH1      ARG  19   9.876  17.753  11.695
  180   1HH2  ARG  19          1HH2      ARG  19   6.809  16.249  11.218
  181   2HH2  ARG  19          2HH2      ARG  19   7.916  16.993  12.320
  182    H    ASN  20           H        ASN  20   6.845  11.522   7.198
  183    HA   ASN  20           HA       ASN  20   9.510  10.984   6.434
  184   1HB   ASN  20          1HB       ASN  20   7.626   9.119   7.974
  185   2HB   ASN  20          2HB       ASN  20   9.400   8.994   7.867
  186   1HD2  ASN  20          2HD2      ASN  20  10.614  10.097   9.368
  187   2HD2  ASN  20          1HD2      ASN  20   9.984  11.314  10.464
  188    H    GLY  21           H        GLY  21   6.379   9.587   5.454
  189   1HA   GLY  21          1HA       GLY  21   7.820   8.307   3.256
  190   2HA   GLY  21          2HA       GLY  21   6.065   8.672   3.395
  191    H    TYR  22           H        TYR  22   5.168   7.527   5.546
  192    HA   TYR  22           HA       TYR  22   6.028   4.721   5.477
  193   1HB   TYR  22          1HB       TYR  22   6.962   6.163   7.418
  194   2HB   TYR  22          2HB       TYR  22   5.286   6.399   7.967
  195    HD1  TYR  22           HD1      TYR  22   8.169   4.368   8.120
  196    HD2  TYR  22           HD2      TYR  22   3.950   4.303   8.607
  197    HE1  TYR  22           HE1      TYR  22   8.365   2.367   9.505
  198    HE2  TYR  22           HE2      TYR  22   4.131   2.271   9.952
  199    HH   TYR  22           HH       TYR  22   7.193   1.080  11.064
  200    H    GLY  23           H        GLY  23   4.327   3.224   5.509
  201   1HA   GLY  23          1HA       GLY  23   1.813   3.958   4.826
  202   2HA   GLY  23          2HA       GLY  23   1.853   3.896   6.645
  203    H    PHE  24           H        PHE  24   0.258   2.141   6.472
  204    HA   PHE  24           HA       PHE  24   1.173  -0.173   5.046
  205   1HB   PHE  24          1HB       PHE  24   0.786  -1.771   6.903
  206   2HB   PHE  24          2HB       PHE  24   2.155  -0.674   7.203
  207    HD1  PHE  24           HD1      PHE  24  -1.290  -1.501   8.180
  208    HD2  PHE  24           HD2      PHE  24   2.124   0.905   8.938
  209    HE1  PHE  24           HE1      PHE  24  -2.182  -0.945  10.398
  210    HE2  PHE  24           HE2      PHE  24   1.239   1.470  11.152
  211    HZ   PHE  24           HZ       PHE  24  -0.913   0.537  11.889
  212    H    ILE  25           H        ILE  25  -0.442  -1.768   4.693
  213    HA   ILE  25           HA       ILE  25  -3.106  -0.565   4.620
  214    HB   ILE  25           HB       ILE  25  -2.370  -3.037   3.092
  215   1HG1  ILE  25          1HG1      ILE  25  -0.538  -1.423   2.527
  216   2HG1  ILE  25          2HG1      ILE  25  -1.622  -1.807   1.177
  217   1HG2  ILE  25          1HG2      ILE  25  -4.340  -0.707   2.694
  218   2HG2  ILE  25          2HG2      ILE  25  -4.061  -2.016   1.497
  219   3HG2  ILE  25          3HG2      ILE  25  -4.734  -2.404   3.120
  220   1HD1  ILE  25          1HD1      ILE  25  -1.938   0.768   2.850
  221   2HD1  ILE  25          2HD1      ILE  25  -0.977   0.649   1.323
  222   3HD1  ILE  25          3HD1      ILE  25  -2.744   0.357   1.301
  223    H    ASN  26           H        ASN  26  -4.902  -1.798   5.305
  224    HA   ASN  26           HA       ASN  26  -4.254  -4.174   6.904
  225   1HB   ASN  26          1HB       ASN  26  -5.672  -2.263   7.853
  226   2HB   ASN  26          2HB       ASN  26  -6.947  -2.718   6.680
  227   1HD2  ASN  26          2HD2      ASN  26  -5.746  -3.259   9.842
  228   2HD2  ASN  26          1HD2      ASN  26  -6.504  -4.790  10.144
  229    H    ARG  27           H        ARG  27  -3.780  -5.671   5.227
  230    HA   ARG  27           HA       ARG  27  -5.698  -6.145   3.204
  231   1HB   ARG  27          1HB       ARG  27  -3.147  -6.476   3.321
  232   2HB   ARG  27          2HB       ARG  27  -3.468  -8.027   4.121
  233   1HG   ARG  27          1HG       ARG  27  -4.552  -7.064   1.380
  234   2HG   ARG  27          2HG       ARG  27  -3.062  -8.001   1.621
  235   1HD   ARG  27          1HD       ARG  27  -4.121  -9.940   1.445
  236   2HD   ARG  27          2HD       ARG  27  -5.060  -9.585   2.934
  237    HE   ARG  27           HE       ARG  27  -6.205  -8.226   0.583
  238   1HH1  ARG  27          1HH1      ARG  27  -7.994  -9.115  -0.601
  239   2HH1  ARG  27          2HH1      ARG  27  -8.107 -10.844  -0.682
  240   1HH2  ARG  27          1HH2      ARG  27  -5.793 -11.565   1.816
  241   2HH2  ARG  27          2HH2      ARG  27  -7.123 -12.169   0.902
  242    H    ASN  28           H        ASN  28  -7.292  -7.613   3.030
  243    HA   ASN  28           HA       ASN  28  -8.283  -8.609   5.521
  244   1HB   ASN  28          1HB       ASN  28 -10.376  -9.079   4.205
  245   2HB   ASN  28          2HB       ASN  28  -9.833  -7.386   4.292
  246   1HD2  ASN  28          2HD2      ASN  28  -9.480  -6.283   2.366
  247   2HD2  ASN  28          1HD2      ASN  28  -9.338  -7.064   0.804
  248    H    ASP  29           H        ASP  29  -6.096 -10.115   5.056
  249    HA   ASP  29           HA       ASP  29  -7.162 -12.767   4.417
  250   1HB   ASP  29          1HB       ASP  29  -4.427 -11.650   5.237
  251   2HB   ASP  29          2HB       ASP  29  -4.832 -13.357   5.650
  252    H    THR  30           H        THR  30  -5.614 -11.309   7.321
  253    HA   THR  30           HA       THR  30  -7.810 -12.198   8.960
  254    HB   THR  30           HB       THR  30  -6.521 -14.233   8.758
  255    HG1  THR  30           HG1      THR  30  -6.266 -14.602  10.877
  256   1HG2  THR  30          1HG2      THR  30  -4.260 -13.338   8.252
  257   2HG2  THR  30          2HG2      THR  30  -4.148 -12.609   9.894
  258   3HG2  THR  30          3HG2      THR  30  -4.214 -14.403   9.690
  259    H    LYS  31           H        LYS  31  -7.111  -9.736   8.195
  260    HA   LYS  31           HA       LYS  31  -6.056  -7.818   8.461
  261   1HB   LYS  31          1HB       LYS  31  -6.156  -8.636  11.377
  262   2HB   LYS  31          2HB       LYS  31  -5.450  -7.090  10.840
  263   1HG   LYS  31          1HG       LYS  31  -7.596  -6.666  11.668
  264   2HG   LYS  31          2HG       LYS  31  -7.623  -6.351   9.904
  265   1HD   LYS  31          1HD       LYS  31  -8.884  -8.296   9.440
  266   2HD   LYS  31          2HD       LYS  31  -8.627  -9.018  11.057
  267   1HE   LYS  31          1HE       LYS  31 -10.226  -6.399  10.555
  268   2HE   LYS  31          2HE       LYS  31 -10.961  -8.040  10.631
  269   1HZ   LYS  31          1HZ       LYS  31  -9.920  -8.260  12.873
  270   2HZ   LYS  31          2HZ       LYS  31  -9.561  -6.599  12.809
  271   3HZ   LYS  31          3HZ       LYS  31 -11.159  -7.135  12.737
  272    H    GLU  32           H        GLU  32  -4.090  -8.651   7.108
  273    HA   GLU  32           HA       GLU  32  -1.809  -8.941   8.909
  274   1HB   GLU  32          1HB       GLU  32  -2.223  -9.628   5.973
  275   2HB   GLU  32          2HB       GLU  32  -0.662  -9.722   6.852
  276   1HG   GLU  32          1HG       GLU  32  -1.754 -11.350   8.501
  277   2HG   GLU  32          2HG       GLU  32  -3.200 -11.367   7.433
  278    H    ASP  33           H        ASP  33  -0.474  -7.182   9.117
  279    HA   ASP  33           HA       ASP  33  -1.204  -4.873   7.587
  280   1HB   ASP  33          1HB       ASP  33   0.513  -3.677   8.948
  281   2HB   ASP  33          2HB       ASP  33  -0.850  -4.390   9.853
  282    H    VAL  34           H        VAL  34  -0.453  -4.288   5.777
  283    HA   VAL  34           HA       VAL  34   1.989  -5.575   4.764
  284    HB   VAL  34           HB       VAL  34  -0.315  -4.310   3.229
  285   1HG1  VAL  34          1HG1      VAL  34   1.991  -4.516   2.081
  286   2HG1  VAL  34          2HG1      VAL  34   1.909  -6.288   2.390
  287   3HG1  VAL  34          3HG1      VAL  34   0.696  -5.517   1.318
  288   1HG2  VAL  34          1HG2      VAL  34   0.258  -7.250   4.057
  289   2HG2  VAL  34          2HG2      VAL  34  -1.205  -6.260   4.476
  290   3HG2  VAL  34          3HG2      VAL  34  -0.906  -6.755   2.780
  291    H    PHE  35           H        PHE  35   3.727  -4.248   4.975
  292    HA   PHE  35           HA       PHE  35   3.378  -1.456   5.255
  293   1HB   PHE  35          1HB       PHE  35   5.005  -2.734   6.591
  294   2HB   PHE  35          2HB       PHE  35   5.833  -3.282   5.097
  295    HD1  PHE  35           HD1      PHE  35   7.606  -2.044   4.301
  296    HD2  PHE  35           HD2      PHE  35   4.827  -0.165   6.912
  297    HE1  PHE  35           HE1      PHE  35   8.921   0.011   4.218
  298    HE2  PHE  35           HE2      PHE  35   6.146   1.886   6.841
  299    HZ   PHE  35           HZ       PHE  35   8.188   2.005   5.476
  300    H    VAL  36           H        VAL  36   3.913   0.236   3.950
  301    HA   VAL  36           HA       VAL  36   4.758  -0.461   1.225
  302    HB   VAL  36           HB       VAL  36   2.795   1.747   1.947
  303   1HG1  VAL  36          1HG1      VAL  36   3.666   0.411  -0.718
  304   2HG1  VAL  36          2HG1      VAL  36   2.389   1.661  -0.544
  305   3HG1  VAL  36          3HG1      VAL  36   4.095   2.096  -0.186
  306   1HG2  VAL  36          1HG2      VAL  36   2.271  -1.125   0.949
  307   2HG2  VAL  36          2HG2      VAL  36   1.661  -0.365   2.466
  308   3HG2  VAL  36          3HG2      VAL  36   1.085   0.213   0.866
  309    H    HIS  37           H        HIS  37   6.458   0.610   0.531
  310    HA   HIS  37           HA       HIS  37   7.350   3.009   1.980
  311   1HB   HIS  37          1HB       HIS  37   9.633   2.428   1.268
  312   2HB   HIS  37          2HB       HIS  37   8.929   1.171   2.324
  313    HD1  HIS  37           HD1      HIS  37  11.235   1.100  -0.052
  314    HD2  HIS  37           HD2      HIS  37   7.586  -0.928   0.204
  315    HE1  HIS  37           HE1      HIS  37  11.365  -0.936  -1.579
  316    H    GLN  38           H        GLN  38   8.646   4.492   0.589
  317    HA   GLN  38           HA       GLN  38   7.105   5.327  -1.527
  318   1HB   GLN  38          1HB       GLN  38   9.919   6.010  -0.592
  319   2HB   GLN  38          2HB       GLN  38   9.193   6.827  -2.004
  320   1HG   GLN  38          1HG       GLN  38   7.951   6.819   0.822
  321   2HG   GLN  38          2HG       GLN  38   8.920   8.149   0.103
  322   1HE2  GLN  38          2HE2      GLN  38   8.076   8.920  -2.166
  323   2HE2  GLN  38          1HE2      GLN  38   6.349   9.064  -2.292
  324    H    THR  39           H        THR  39  10.096   3.402  -1.681
  325    HA   THR  39           HA       THR  39  10.267   3.535  -4.461
  326    HB   THR  39           HB       THR  39  11.375   1.328  -2.738
  327    HG1  THR  39           HG1      THR  39  13.171   2.689  -2.729
  328   1HG2  THR  39          1HG2      THR  39  12.215   2.648  -5.424
  329   2HG2  THR  39          2HG2      THR  39  13.214   1.455  -4.504
  330   3HG2  THR  39          3HG2      THR  39  11.658   0.952  -5.217
  331    H    ALA  40           H        ALA  40   7.933   1.793  -2.589
  332    HA   ALA  40           HA       ALA  40   7.625  -0.316  -4.475
  333   1HB   ALA  40          1HB       ALA  40   5.706   0.717  -2.307
  334   2HB   ALA  40          2HB       ALA  40   5.575  -0.839  -3.174
  335   3HB   ALA  40          3HB       ALA  40   6.972  -0.574  -2.091
  336    H    ILE  41           H        ILE  41   6.463   2.952  -4.290
  337    HA   ILE  41           HA       ILE  41   4.112   2.538  -5.845
  338    HB   ILE  41           HB       ILE  41   5.604   4.984  -4.891
  339   1HG1  ILE  41          1HG1      ILE  41   2.970   3.768  -3.905
  340   2HG1  ILE  41          2HG1      ILE  41   4.552   3.428  -3.143
  341   1HG2  ILE  41          1HG2      ILE  41   2.854   4.697  -6.287
  342   2HG2  ILE  41          2HG2      ILE  41   3.432   6.200  -5.475
  343   3HG2  ILE  41          3HG2      ILE  41   4.288   5.596  -6.919
  344   1HD1  ILE  41          1HD1      ILE  41   4.911   5.858  -2.676
  345   2HD1  ILE  41          2HD1      ILE  41   3.289   6.228  -3.366
  346   3HD1  ILE  41          3HD1      ILE  41   3.423   5.216  -1.898
  347    H    LYS  42           H        LYS  42   3.926   2.507  -8.005
  348    HA   LYS  42           HA       LYS  42   6.230   2.845  -9.621
  349   1HB   LYS  42          1HB       LYS  42   3.290   2.387 -10.327
  350   2HB   LYS  42          2HB       LYS  42   4.614   2.501 -11.528
  351   1HG   LYS  42          1HG       LYS  42   5.795   0.623 -10.287
  352   2HG   LYS  42          2HG       LYS  42   4.283   0.366  -9.354
  353   1HD   LYS  42          1HD       LYS  42   3.048  -0.081 -11.481
  354   2HD   LYS  42          2HD       LYS  42   4.490   0.401 -12.432
  355   1HE   LYS  42          1HE       LYS  42   5.775  -1.548 -11.426
  356   2HE   LYS  42          2HE       LYS  42   4.260  -2.090 -10.606
  357   1HZ   LYS  42          1HZ       LYS  42   3.258  -2.136 -12.914
  358   2HZ   LYS  42          2HZ       LYS  42   4.779  -1.810 -13.514
  359   3HZ   LYS  42          3HZ       LYS  42   4.549  -3.242 -12.644
  360    H    LYS  43           H        LYS  43   3.071   4.514 -10.051
  361    HA   LYS  43           HA       LYS  43   4.534   6.791 -11.136
  362   1HB   LYS  43          1HB       LYS  43   2.249   7.555 -11.861
  363   2HB   LYS  43          2HB       LYS  43   2.888   6.077 -12.626
  364   1HG   LYS  43          1HG       LYS  43   1.508   4.622 -11.270
  365   2HG   LYS  43          2HG       LYS  43   0.893   5.980 -10.293
  366   1HD   LYS  43          1HD       LYS  43   0.488   5.569 -13.334
  367   2HD   LYS  43          2HD       LYS  43  -0.672   5.085 -12.076
  368   1HE   LYS  43          1HE       LYS  43   0.131   7.973 -12.811
  369   2HE   LYS  43          2HE       LYS  43  -1.459   7.149 -13.060
  370   1HZ   LYS  43          1HZ       LYS  43  -1.405   6.856 -10.518
  371   2HZ   LYS  43          2HZ       LYS  43  -0.210   8.089 -10.568
  372   3HZ   LYS  43          3HZ       LYS  43  -1.732   8.394 -11.140
  373    H    ASN  44           H        ASN  44   4.739   8.695 -10.108
  374    HA   ASN  44           HA       ASN  44   3.977   8.553  -7.355
  375   1HB   ASN  44          1HB       ASN  44   6.341   8.964  -8.237
  376   2HB   ASN  44          2HB       ASN  44   5.796  10.617  -8.678
  377   1HD2  ASN  44          2HD2      ASN  44   7.780  10.748  -7.007
  378   2HD2  ASN  44          1HD2      ASN  44   7.232  11.090  -5.373
  379    H    ASN  45           H        ASN  45   2.907  10.120  -6.186
  380    HA   ASN  45           HA       ASN  45   0.860  11.348  -7.853
  381   1HB   ASN  45          1HB       ASN  45  -0.647  10.860  -5.802
  382   2HB   ASN  45          2HB       ASN  45  -0.100   9.483  -6.816
  383   1HD2  ASN  45          2HD2      ASN  45   0.768   7.751  -5.782
  384   2HD2  ASN  45          1HD2      ASN  45   1.213   7.784  -4.109
  385    HA   PRO  46           HA       PRO  46   1.460  15.013  -5.413
  386   1HB   PRO  46          1HB       PRO  46  -0.832  16.426  -5.919
  387   2HB   PRO  46          2HB       PRO  46   0.267  15.970  -7.265
  388   1HG   PRO  46          1HG       PRO  46  -2.218  14.395  -6.348
  389   2HG   PRO  46          2HG       PRO  46  -1.869  15.055  -8.011
  390   1HD   PRO  46          1HD       PRO  46  -1.184  12.465  -7.275
  391   2HD   PRO  46          2HD       PRO  46  -0.117  13.471  -8.367
  392    H    ARG  47           H        ARG  47  -0.018  16.408  -3.799
  393    HA   ARG  47           HA       ARG  47  -1.698  14.620  -2.154
  394   1HB   ARG  47          1HB       ARG  47   0.058  15.723  -0.791
  395   2HB   ARG  47          2HB       ARG  47  -0.313  17.289  -1.549
  396   1HG   ARG  47          1HG       ARG  47  -1.212  17.320   0.666
  397   2HG   ARG  47          2HG       ARG  47  -2.572  17.299  -0.469
  398   1HD   ARG  47          1HD       ARG  47  -2.762  14.748  -0.027
  399   2HD   ARG  47          2HD       ARG  47  -1.555  14.958   1.287
  400    HE   ARG  47           HE       ARG  47  -4.380  15.893   1.257
  401   1HH1  ARG  47          1HH1      ARG  47  -1.201  16.527   2.842
  402   2HH1  ARG  47          2HH1      ARG  47  -2.024  17.086   4.292
  403   1HH2  ARG  47          1HH2      ARG  47  -5.263  16.613   3.209
  404   2HH2  ARG  47          2HH2      ARG  47  -4.167  17.147   4.488
  405    H    LYS  48           H        LYS  48  -3.868  15.041  -2.214
  406    HA   LYS  48           HA       LYS  48  -4.724  17.557  -3.462
  407   1HB   LYS  48          1HB       LYS  48  -4.957  15.595  -4.958
  408   2HB   LYS  48          2HB       LYS  48  -5.961  14.769  -3.731
  409   1HG   LYS  48          1HG       LYS  48  -7.735  16.399  -3.939
  410   2HG   LYS  48          2HG       LYS  48  -6.712  17.539  -4.871
  411   1HD   LYS  48          1HD       LYS  48  -7.632  14.779  -5.923
  412   2HD   LYS  48          2HD       LYS  48  -8.437  16.346  -6.202
  413   1HE   LYS  48          1HE       LYS  48  -6.090  17.161  -7.084
  414   2HE   LYS  48          2HE       LYS  48  -5.700  15.416  -7.261
  415   1HZ   LYS  48          1HZ       LYS  48  -8.097  16.749  -8.431
  416   2HZ   LYS  48          2HZ       LYS  48  -6.604  16.605  -9.206
  417   3HZ   LYS  48          3HZ       LYS  48  -7.512  15.229  -8.869
  418    H    TYR  49           H        TYR  49  -6.302  18.701  -2.392
  419    HA   TYR  49           HA       TYR  49  -6.887  17.735   0.296
  420   1HB   TYR  49          1HB       TYR  49  -6.912  20.490  -1.036
  421   2HB   TYR  49          2HB       TYR  49  -7.543  20.198   0.618
  422    HD1  TYR  49           HD1      TYR  49  -6.123  19.790   2.429
  423    HD2  TYR  49           HD2      TYR  49  -4.495  20.189  -1.472
  424    HE1  TYR  49           HE1      TYR  49  -3.894  20.089   3.397
  425    HE2  TYR  49           HE2      TYR  49  -2.251  20.436  -0.510
  426    HH   TYR  49           HH       TYR  49  -1.740  20.567   2.996
  427    H    LEU  50           H        LEU  50  -8.377  16.217  -1.197
  428    HA   LEU  50           HA       LEU  50 -10.963  17.566  -1.527
  429   1HB   LEU  50          1HB       LEU  50  -9.806  16.380  -3.475
  430   2HB   LEU  50          2HB       LEU  50 -10.007  14.846  -2.564
  431    HG   LEU  50           HG       LEU  50 -12.557  15.294  -2.654
  432   1HD1  LEU  50          1HD1      LEU  50 -11.638  17.492  -4.612
  433   2HD1  LEU  50          2HD1      LEU  50 -13.325  16.921  -4.438
  434   3HD1  LEU  50          3HD1      LEU  50 -12.509  17.771  -3.079
  435   1HD2  LEU  50          1HD2      LEU  50 -11.343  13.725  -4.213
  436   2HD2  LEU  50          2HD2      LEU  50 -12.757  14.529  -5.000
  437   3HD2  LEU  50          3HD2      LEU  50 -11.086  15.092  -5.361
  438    H    ARG  51           H        ARG  51 -12.849  16.635  -0.543
  439    HA   ARG  51           HA       ARG  51 -12.240  14.703   1.583
  440   1HB   ARG  51          1HB       ARG  51 -13.203  16.862   2.290
  441   2HB   ARG  51          2HB       ARG  51 -14.661  16.519   1.295
  442   1HG   ARG  51          1HG       ARG  51 -15.111  14.489   2.680
  443   2HG   ARG  51          2HG       ARG  51 -13.599  14.751   3.607
  444   1HD   ARG  51          1HD       ARG  51 -14.477  16.833   4.576
  445   2HD   ARG  51          2HD       ARG  51 -15.984  16.718   3.586
  446    HE   ARG  51           HE       ARG  51 -16.118  14.306   4.768
  447   1HH1  ARG  51          1HH1      ARG  51 -15.098  17.333   6.432
  448   2HH1  ARG  51          2HH1      ARG  51 -15.697  16.747   7.939
  449   1HH2  ARG  51          1HH2      ARG  51 -16.672  13.623   6.930
  450   2HH2  ARG  51          2HH2      ARG  51 -16.451  14.767   8.197
  451    H    SER  52           H        SER  52 -12.051  12.951   0.096
  452    HA   SER  52           HA       SER  52 -14.528  12.218  -1.272
  453   1HB   SER  52          1HB       SER  52 -13.017  10.742  -2.651
  454   2HB   SER  52          2HB       SER  52 -12.752  12.507  -2.824
  455    HG   SER  52           HG       SER  52 -10.802  11.451  -2.595
  456    H    VAL  53           H        VAL  53 -11.833  10.215  -0.313
  457    HA   VAL  53           HA       VAL  53 -13.694   8.446   1.091
  458    HB   VAL  53           HB       VAL  53 -12.021   6.663   0.494
  459   1HG1  VAL  53          1HG1      VAL  53 -14.320   6.947  -0.419
  460   2HG1  VAL  53          2HG1      VAL  53 -13.693   8.095  -1.673
  461   3HG1  VAL  53          3HG1      VAL  53 -13.178   6.353  -1.670
  462   1HG2  VAL  53          1HG2      VAL  53 -10.170   8.274  -0.352
  463   2HG2  VAL  53          2HG2      VAL  53 -10.694   7.066  -1.547
  464   3HG2  VAL  53          3HG2      VAL  53 -11.279   8.754  -1.690
  465    H    GLY  54           H        GLY  54 -10.320   7.777   1.415
  466   1HA   GLY  54          1HA       GLY  54 -10.391   8.801   4.160
  467   2HA   GLY  54          2HA       GLY  54  -8.942   8.390   3.166
  468    H    ASP  55           H        ASP  55 -10.966   7.315   5.635
  469    HA   ASP  55           HA       ASP  55  -9.765   4.751   5.708
  470   1HB   ASP  55          1HB       ASP  55 -10.355   6.103   7.756
  471   2HB   ASP  55          2HB       ASP  55 -12.099   5.927   7.327
  472    H    GLY  56           H        GLY  56 -10.332   3.177   4.373
  473   1HA   GLY  56          1HA       GLY  56 -13.161   3.029   3.520
  474   2HA   GLY  56          2HA       GLY  56 -12.233   1.610   4.111
  475    H    GLU  57           H        GLU  57 -10.449   3.882   2.104
  476    HA   GLU  57           HA       GLU  57 -11.442   2.731  -0.283
  477   1HB   GLU  57          1HB       GLU  57 -10.085   4.124  -1.541
  478   2HB   GLU  57          2HB       GLU  57 -10.709   5.062  -0.160
  479   1HG   GLU  57          1HG       GLU  57  -8.532   4.864   1.023
  480   2HG   GLU  57          2HG       GLU  57  -7.877   3.821  -0.311
  481    H    THR  58           H        THR  58 -10.315   1.702  -1.968
  482    HA   THR  58           HA       THR  58  -8.464  -0.315  -1.016
  483    HB   THR  58           HB       THR  58  -9.354  -1.331  -3.315
  484    HG1  THR  58           HG1      THR  58 -11.577  -0.818  -3.446
  485   1HG2  THR  58          1HG2      THR  58 -10.941  -1.236  -0.666
  486   2HG2  THR  58          2HG2      THR  58 -11.092  -2.500  -1.952
  487   3HG2  THR  58          3HG2      THR  58  -9.554  -2.329  -1.038
  488    H    VAL  59           H        VAL  59  -6.684  -0.823  -2.157
  489    HA   VAL  59           HA       VAL  59  -6.014   0.535  -4.614
  490    HB   VAL  59           HB       VAL  59  -5.275   2.092  -2.894
  491   1HG1  VAL  59          1HG1      VAL  59  -4.874   0.422  -1.033
  492   2HG1  VAL  59          2HG1      VAL  59  -3.426  -0.192  -1.932
  493   3HG1  VAL  59          3HG1      VAL  59  -3.472   1.501  -1.337
  494   1HG2  VAL  59          1HG2      VAL  59  -4.057   1.851  -5.080
  495   2HG2  VAL  59          2HG2      VAL  59  -2.983   2.341  -3.725
  496   3HG2  VAL  59          3HG2      VAL  59  -2.944   0.650  -4.311
  497    H    GLU  60           H        GLU  60  -4.508  -0.796  -5.804
  498    HA   GLU  60           HA       GLU  60  -4.276  -3.471  -4.659
  499   1HB   GLU  60          1HB       GLU  60  -3.403  -2.487  -7.439
  500   2HB   GLU  60          2HB       GLU  60  -3.524  -4.185  -6.897
  501   1HG   GLU  60          1HG       GLU  60  -5.944  -4.113  -6.829
  502   2HG   GLU  60          2HG       GLU  60  -5.964  -2.338  -7.236
  503    H    PHE  61           H        PHE  61  -2.641  -4.649  -4.367
  504    HA   PHE  61           HA       PHE  61   0.002  -3.772  -5.085
  505   1HB   PHE  61          1HB       PHE  61   0.880  -3.804  -2.668
  506   2HB   PHE  61          2HB       PHE  61  -0.175  -2.405  -3.115
  507    HD1  PHE  61           HD1      PHE  61  -0.077  -5.542  -1.190
  508    HD2  PHE  61           HD2      PHE  61  -2.365  -2.153  -2.314
  509    HE1  PHE  61           HE1      PHE  61  -1.705  -6.051   0.576
  510    HE2  PHE  61           HE2      PHE  61  -4.007  -2.677  -0.590
  511    HZ   PHE  61           HZ       PHE  61  -3.683  -4.638   0.875
  512    H    ASP  62           H        ASP  62   1.726  -5.386  -4.269
  513    HA   ASP  62           HA       ASP  62   0.554  -8.063  -4.202
  514   1HB   ASP  62          1HB       ASP  62   3.431  -7.023  -4.433
  515   2HB   ASP  62          2HB       ASP  62   2.948  -8.759  -4.515
  516    H    VAL  63           H        VAL  63   0.822  -9.411  -2.275
  517    HA   VAL  63           HA       VAL  63   1.828  -7.940   0.066
  518    HB   VAL  63           HB       VAL  63   0.435 -10.637  -0.008
  519   1HG1  VAL  63          1HG1      VAL  63   1.320  -8.713   2.273
  520   2HG1  VAL  63          2HG1      VAL  63   0.241 -10.127   2.490
  521   3HG1  VAL  63          3HG1      VAL  63   1.926 -10.390   1.977
  522   1HG2  VAL  63          1HG2      VAL  63  -1.184  -8.829  -0.641
  523   2HG2  VAL  63          2HG2      VAL  63  -1.486  -9.514   0.996
  524   3HG2  VAL  63          3HG2      VAL  63  -0.694  -7.911   0.861
  525    H    VAL  64           H        VAL  64   4.122  -8.206   0.226
  526    HA   VAL  64           HA       VAL  64   5.039 -10.908  -0.391
  527    HB   VAL  64           HB       VAL  64   7.083  -9.498  -1.292
  528   1HG1  VAL  64          1HG1      VAL  64   4.496 -10.300  -2.795
  529   2HG1  VAL  64          2HG1      VAL  64   6.090 -10.039  -3.569
  530   3HG1  VAL  64          3HG1      VAL  64   5.857 -11.397  -2.407
  531   1HG2  VAL  64          1HG2      VAL  64   5.836  -7.261  -1.012
  532   2HG2  VAL  64          2HG2      VAL  64   6.235  -7.667  -2.744
  533   3HG2  VAL  64          3HG2      VAL  64   4.581  -7.883  -2.152
  534    H    GLU  65           H        GLU  65   6.615 -11.755   0.887
  535    HA   GLU  65           HA       GLU  65   6.894 -10.229   3.376
  536   1HB   GLU  65          1HB       GLU  65   5.117 -12.050   3.241
  537   2HB   GLU  65          2HB       GLU  65   6.459 -13.232   3.157
  538   1HG   GLU  65          1HG       GLU  65   7.218 -12.515   5.440
  539   2HG   GLU  65          2HG       GLU  65   5.976 -11.217   5.465
  540    H    GLY  66           H        GLY  66   8.440 -11.186   4.815
  541   1HA   GLY  66          1HA       GLY  66  11.007 -10.688   4.009
  542   2HA   GLY  66          2HA       GLY  66  10.767 -12.464   3.774
  543    H    GLU  67           H        GLU  67   9.580 -10.233   6.283
  544    HA   GLU  67           HA       GLU  67  10.963 -11.858   8.303
  545   1HB   GLU  67          1HB       GLU  67  11.320  -9.731   9.502
  546   2HB   GLU  67          2HB       GLU  67  12.062  -9.781   7.887
  547   1HG   GLU  67          1HG       GLU  67  10.319  -8.357   6.884
  548   2HG   GLU  67          2HG       GLU  67   9.386  -8.355   8.427
  549    H    LYS  68           H        LYS  68   9.673 -10.002  10.338
  550    HA   LYS  68           HA       LYS  68   7.653 -11.837  10.988
  551   1HB   LYS  68          1HB       LYS  68   8.412  -9.190  12.307
  552   2HB   LYS  68          2HB       LYS  68   7.396 -10.470  13.021
  553   1HG   LYS  68          1HG       LYS  68   9.286 -12.053  13.017
  554   2HG   LYS  68          2HG       LYS  68  10.344 -10.832  12.239
  555   1HD   LYS  68          1HD       LYS  68  10.068  -9.292  14.160
  556   2HD   LYS  68          2HD       LYS  68   8.974 -10.458  14.964
  557   1HE   LYS  68          1HE       LYS  68  10.834 -12.139  15.081
  558   2HE   LYS  68          2HE       LYS  68  11.949 -10.984  14.255
  559   1HZ   LYS  68          1HZ       LYS  68  10.586 -10.472  16.875
  560   2HZ   LYS  68          2HZ       LYS  68  12.179 -10.995  16.670
  561   3HZ   LYS  68          3HZ       LYS  68  11.685  -9.467  16.141
  562    H    GLY  69           H        GLY  69   7.578  -8.887   9.241
  563   1HA   GLY  69          1HA       GLY  69   5.445  -7.496   9.546
  564   2HA   GLY  69          2HA       GLY  69   4.667  -9.053   9.086
  565    H    ALA  70           H        ALA  70   3.889  -8.535   7.059
  566    HA   ALA  70           HA       ALA  70   5.901  -8.685   5.044
  567   1HB   ALA  70          1HB       ALA  70   2.847  -8.634   4.838
  568   2HB   ALA  70          2HB       ALA  70   3.978  -9.075   3.516
  569   3HB   ALA  70          3HB       ALA  70   3.879 -10.101   4.989
  570    H    GLU  71           H        GLU  71   5.687  -7.557   2.956
  571    HA   GLU  71           HA       GLU  71   5.197  -4.708   3.280
  572   1HB   GLU  71          1HB       GLU  71   7.154  -4.350   1.781
  573   2HB   GLU  71          2HB       GLU  71   7.569  -5.101   3.359
  574   1HG   GLU  71          1HG       GLU  71   7.887  -7.295   2.362
  575   2HG   GLU  71          2HG       GLU  71   7.294  -6.727   0.760
  576    H    ALA  72           H        ALA  72   5.633  -3.889   0.754
  577    HA   ALA  72           HA       ALA  72   3.671  -5.329  -0.886
  578   1HB   ALA  72          1HB       ALA  72   2.456  -3.570   0.417
  579   2HB   ALA  72          2HB       ALA  72   2.587  -3.105  -1.309
  580   3HB   ALA  72          3HB       ALA  72   3.693  -2.359  -0.092
  581    H    ALA  73           H        ALA  73   3.689  -4.588  -3.071
  582    HA   ALA  73           HA       ALA  73   5.995  -3.168  -4.052
  583   1HB   ALA  73          1HB       ALA  73   6.881  -5.534  -3.703
  584   2HB   ALA  73          2HB       ALA  73   5.495  -6.171  -4.659
  585   3HB   ALA  73          3HB       ALA  73   6.743  -5.153  -5.463
  586    H    ASN  74           H        ASN  74   5.773  -2.930  -6.375
  587    HA   ASN  74           HA       ASN  74   4.625  -2.331  -8.161
  588   1HB   ASN  74          1HB       ASN  74   3.211  -5.005  -7.628
  589   2HB   ASN  74          2HB       ASN  74   3.279  -4.162  -9.214
  590   1HD2  ASN  74          2HD2      ASN  74   4.713  -6.673  -7.588
  591   2HD2  ASN  74          1HD2      ASN  74   6.313  -6.588  -8.263
  592    H    VAL  75           H        VAL  75   3.708  -0.745  -6.304
  593    HA   VAL  75           HA       VAL  75   0.825  -0.863  -6.274
  594    HB   VAL  75           HB       VAL  75   2.670   1.175  -5.008
  595   1HG1  VAL  75          1HG1      VAL  75  -0.248   0.258  -4.496
  596   2HG1  VAL  75          2HG1      VAL  75   0.674   1.453  -3.514
  597   3HG1  VAL  75          3HG1      VAL  75   0.251   1.851  -5.210
  598   1HG2  VAL  75          1HG2      VAL  75   1.668  -1.552  -4.005
  599   2HG2  VAL  75          2HG2      VAL  75   3.382  -1.013  -4.152
  600   3HG2  VAL  75          3HG2      VAL  75   2.301  -0.258  -2.935
  601    H    THR  76           H        THR  76  -0.129  -0.099  -8.149
  602    HA   THR  76           HA       THR  76   1.178   1.902  -9.713
  603    HB   THR  76           HB       THR  76  -1.536   0.654 -10.170
  604    HG1  THR  76           HG1      THR  76  -0.561  -0.795 -11.226
  605   1HG2  THR  76          1HG2      THR  76   0.476   2.128 -12.019
  606   2HG2  THR  76          2HG2      THR  76  -1.039   1.323 -12.537
  607   3HG2  THR  76          3HG2      THR  76  -1.139   2.779 -11.509
  608    H    GLY  77           H        GLY  77  -2.224   1.839  -8.877
  609   1HA   GLY  77          1HA       GLY  77  -2.166   4.446  -7.672
  610   2HA   GLY  77          2HA       GLY  77  -3.569   3.380  -7.938
  611    HA   PRO  78           HA       PRO  78  -3.640   5.430 -11.986
  612   1HB   PRO  78          1HB       PRO  78  -6.367   5.456 -12.476
  613   2HB   PRO  78          2HB       PRO  78  -5.352   3.971 -12.640
  614   1HG   PRO  78          1HG       PRO  78  -7.034   4.810 -10.210
  615   2HG   PRO  78          2HG       PRO  78  -7.027   3.213 -11.080
  616   1HD   PRO  78          1HD       PRO  78  -5.521   3.677  -8.798
  617   2HD   PRO  78          2HD       PRO  78  -4.887   2.615 -10.143
  618    H    GLY  79           H        GLY  79  -4.346   7.479 -12.824
  619   1HA   GLY  79          1HA       GLY  79  -5.281   9.354 -10.754
  620   2HA   GLY  79          2HA       GLY  79  -5.485   9.501 -12.533

  No H/Q in entry =         620
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   7.376  -9.979  -6.413
    2    H2   MET   1           H2       MET   1   8.370  -8.822  -7.083
    3    H3   MET   1           H3       MET   1   8.415 -10.393  -7.646
    4    HA   MET   1           HA       MET   1  10.174 -10.641  -6.320
    5   1HB   MET   1          1HB       MET   1  10.758  -9.107  -4.488
    6   2HB   MET   1          2HB       MET   1  10.349  -8.220  -5.964
    7   1HG   MET   1          1HG       MET   1   8.103  -7.671  -5.088
    8   2HG   MET   1          2HG       MET   1   8.387  -8.631  -3.618
    9   1HE   MET   1          1HE       MET   1  10.795  -8.298  -2.345
   10   2HE   MET   1          2HE       MET   1  10.630  -6.802  -1.369
   11   3HE   MET   1          3HE       MET   1   9.224  -7.899  -1.568
   12    H    LYS   2           H        LYS   2  10.665 -12.053  -4.659
   13    HA   LYS   2           HA       LYS   2  10.410 -13.563  -3.221
   14   1HB   LYS   2          1HB       LYS   2  10.478 -11.596  -1.798
   15   2HB   LYS   2          2HB       LYS   2   8.701 -11.525  -1.761
   16   1HG   LYS   2          1HG       LYS   2   9.560 -12.485   0.302
   17   2HG   LYS   2          2HG       LYS   2   8.642 -13.742  -0.590
   18   1HD   LYS   2          1HD       LYS   2  10.772 -14.720  -1.422
   19   2HD   LYS   2          2HD       LYS   2  11.719 -13.497  -0.530
   20   1HE   LYS   2          1HE       LYS   2   9.732 -15.473   0.807
   21   2HE   LYS   2          2HE       LYS   2  11.475 -15.848   0.524
   22   1HZ   LYS   2          1HZ       LYS   2  10.483 -13.534   2.133
   23   2HZ   LYS   2          2HZ       LYS   2  11.056 -15.019   2.727
   24   3HZ   LYS   2          3HZ       LYS   2  12.092 -14.012   1.882
   25    H    LYS   3           H        LYS   3   7.036 -12.478  -3.094
   26    HA   LYS   3           HA       LYS   3   5.140 -13.489  -3.460
   27   1HB   LYS   3          1HB       LYS   3   6.678 -15.606  -4.923
   28   2HB   LYS   3          2HB       LYS   3   4.898 -15.490  -4.843
   29   1HG   LYS   3          1HG       LYS   3   4.895 -13.282  -5.898
   30   2HG   LYS   3          2HG       LYS   3   6.685 -13.241  -5.934
   31   1HD   LYS   3          1HD       LYS   3   6.797 -15.139  -7.426
   32   2HD   LYS   3          2HD       LYS   3   5.037 -15.454  -7.297
   33   1HE   LYS   3          1HE       LYS   3   4.494 -13.391  -8.547
   34   2HE   LYS   3          2HE       LYS   3   6.228 -12.880  -8.505
   35   1HZ   LYS   3          1HZ       LYS   3   6.756 -14.933  -9.728
   36   2HZ   LYS   3          2HZ       LYS   3   5.106 -15.260  -9.931
   37   3HZ   LYS   3          3HZ       LYS   3   5.797 -13.854 -10.582
   38    H    VAL   4           H        VAL   4   4.504 -13.702  -1.318
   39    HA   VAL   4           HA       VAL   4   4.911 -16.400  -0.238
   40    HB   VAL   4           HB       VAL   4   4.513 -13.924   1.426
   41   1HG1  VAL   4          1HG1      VAL   4   5.350 -16.859   1.998
   42   2HG1  VAL   4          2HG1      VAL   4   5.282 -15.541   3.213
   43   3HG1  VAL   4          3HG1      VAL   4   3.769 -16.141   2.463
   44   1HG2  VAL   4          1HG2      VAL   4   7.003 -15.492   0.469
   45   2HG2  VAL   4          2HG2      VAL   4   6.709 -13.706   0.355
   46   3HG2  VAL   4          3HG2      VAL   4   7.000 -14.497   1.951
   47    H    ILE   5           H        ILE   5   2.349 -13.782   0.495
   48    HA   ILE   5           HA       ILE   5   0.591 -16.062   0.677
   49    HB   ILE   5           HB       ILE   5   0.072 -13.112   1.068
   50   1HG1  ILE   5          1HG1      ILE   5  -0.328 -13.873   3.433
   51   2HG1  ILE   5          2HG1      ILE   5   0.479 -15.417   3.062
   52   1HG2  ILE   5          1HG2      ILE   5  -1.639 -15.652   1.513
   53   2HG2  ILE   5          2HG2      ILE   5  -2.061 -14.004   2.086
   54   3HG2  ILE   5          3HG2      ILE   5  -2.001 -14.345   0.325
   55   1HD1  ILE   5          1HD1      ILE   5   1.881 -12.708   2.586
   56   2HD1  ILE   5          2HD1      ILE   5   1.845 -13.484   4.218
   57   3HD1  ILE   5          3HD1      ILE   5   2.623 -14.329   2.834
   58    H    ALA   6           H        ALA   6   0.441 -12.928  -1.017
   59    HA   ALA   6           HA       ALA   6  -0.532 -14.334  -3.409
   60   1HB   ALA   6          1HB       ALA   6  -2.667 -12.920  -3.314
   61   2HB   ALA   6          2HB       ALA   6  -2.525 -14.118  -1.979
   62   3HB   ALA   6          3HB       ALA   6  -2.149 -12.391  -1.660
   63    H    THR   7           H        THR   7  -0.512 -13.245  -5.294
   64    HA   THR   7           HA       THR   7   0.515 -10.513  -5.352
   65    HB   THR   7           HB       THR   7   1.018 -10.946  -7.722
   66    HG1  THR   7           HG1      THR   7  -0.108 -12.599  -8.440
   67   1HG2  THR   7          1HG2      THR   7   2.725 -11.361  -5.904
   68   2HG2  THR   7          2HG2      THR   7   2.155 -13.065  -5.769
   69   3HG2  THR   7          3HG2      THR   7   2.906 -12.484  -7.296
   70    H    LYS   8           H        LYS   8  -0.454  -8.981  -6.686
   71    HA   LYS   8           HA       LYS   8  -2.157  -7.742  -7.131
   72   1HB   LYS   8          1HB       LYS   8  -3.153 -10.112  -8.729
   73   2HB   LYS   8          2HB       LYS   8  -3.780  -8.433  -8.847
   74   1HG   LYS   8          1HG       LYS   8  -1.384  -7.672  -9.308
   75   2HG   LYS   8          2HG       LYS   8  -0.941  -9.396  -9.512
   76   1HD   LYS   8          1HD       LYS   8  -2.626  -9.613 -11.358
   77   2HD   LYS   8          2HD       LYS   8  -3.149  -7.920 -11.073
   78   1HE   LYS   8          1HE       LYS   8  -0.842  -7.085 -11.653
   79   2HE   LYS   8          2HE       LYS   8  -0.329  -8.779 -12.025
   80   1HZ   LYS   8          1HZ       LYS   8  -2.564  -7.333 -13.358
   81   2HZ   LYS   8          2HZ       LYS   8  -0.987  -7.485 -13.953
   82   3HZ   LYS   8          3HZ       LYS   8  -1.980  -8.865 -13.762
   83    H    VAL   9           H        VAL   9  -2.565  -7.647  -4.938
   84    HA   VAL   9           HA       VAL   9  -4.966  -8.997  -3.969
   85    HB   VAL   9           HB       VAL   9  -2.564  -7.905  -2.436
   86   1HG1  VAL   9          1HG1      VAL   9  -4.878  -9.847  -1.718
   87   2HG1  VAL   9          2HG1      VAL   9  -3.425  -9.549  -0.696
   88   3HG1  VAL   9          3HG1      VAL   9  -4.580  -8.202  -1.018
   89   1HG2  VAL   9          1HG2      VAL   9  -3.077 -10.714  -3.602
   90   2HG2  VAL   9          2HG2      VAL   9  -1.655  -9.627  -3.875
   91   3HG2  VAL   9          3HG2      VAL   9  -1.901 -10.359  -2.260
   92    H    LEU  10           H        LEU  10  -6.469  -7.750  -2.827
   93    HA   LEU  10           HA       LEU  10  -6.049  -4.857  -2.982
   94   1HB   LEU  10          1HB       LEU  10  -8.534  -6.605  -2.815
   95   2HB   LEU  10          2HB       LEU  10  -8.592  -4.842  -2.525
   96    HG   LEU  10           HG       LEU  10  -9.327  -5.367  -4.743
   97   1HD1  LEU  10          1HD1      LEU  10  -8.157  -3.164  -4.321
   98   2HD1  LEU  10          2HD1      LEU  10  -6.609  -3.923  -4.853
   99   3HD1  LEU  10          3HD1      LEU  10  -7.956  -3.751  -6.019
  100   1HD2  LEU  10          1HD2      LEU  10  -7.888  -7.439  -5.185
  101   2HD2  LEU  10          2HD2      LEU  10  -7.945  -6.235  -6.535
  102   3HD2  LEU  10          3HD2      LEU  10  -6.500  -6.321  -5.488
  103    H    GLY  11           H        GLY  11  -6.434  -3.463  -1.328
  104   1HA   GLY  11          1HA       GLY  11  -5.617  -4.086   1.177
  105   2HA   GLY  11          2HA       GLY  11  -7.424  -4.241   1.188
  106    H    THR  12           H        THR  12  -6.819  -2.412   2.854
  107    HA   THR  12           HA       THR  12  -7.589  -0.005   1.378
  108    HB   THR  12           HB       THR  12  -8.388  -0.965   4.124
  109    HG1  THR  12           HG1      THR  12 -10.373  -1.210   3.092
  110   1HG2  THR  12          1HG2      THR  12  -9.335   1.435   2.396
  111   2HG2  THR  12          2HG2      THR  12 -10.111   0.886   3.921
  112   3HG2  THR  12          3HG2      THR  12  -8.449   1.555   3.965
  113    H    VAL  13           H        VAL  13  -6.667   1.914   1.786
  114    HA   VAL  13           HA       VAL  13  -4.522   2.023   3.799
  115    HB   VAL  13           HB       VAL  13  -5.112   3.800   1.404
  116   1HG1  VAL  13          1HG1      VAL  13  -2.865   3.863   3.538
  117   2HG1  VAL  13          2HG1      VAL  13  -2.867   4.811   2.007
  118   3HG1  VAL  13          3HG1      VAL  13  -4.101   5.147   3.252
  119   1HG2  VAL  13          1HG2      VAL  13  -2.853   1.770   2.007
  120   2HG2  VAL  13          2HG2      VAL  13  -4.176   1.546   0.799
  121   3HG2  VAL  13          3HG2      VAL  13  -2.954   2.842   0.559
  122    H    LYS  14           H        LYS  14  -4.977   3.058   5.641
  123    HA   LYS  14           HA       LYS  14  -6.538   5.447   5.594
  124   1HB   LYS  14          1HB       LYS  14  -8.341   3.792   5.724
  125   2HB   LYS  14          2HB       LYS  14  -7.538   2.980   7.098
  126   1HG   LYS  14          1HG       LYS  14  -7.987   4.901   8.569
  127   2HG   LYS  14          2HG       LYS  14  -8.467   5.914   7.178
  128   1HD   LYS  14          1HD       LYS  14 -10.418   5.173   8.474
  129   2HD   LYS  14          2HD       LYS  14 -10.470   4.597   6.780
  130   1HE   LYS  14          1HE       LYS  14  -9.766   2.300   7.505
  131   2HE   LYS  14          2HE       LYS  14  -9.660   2.876   9.221
  132   1HZ   LYS  14          1HZ       LYS  14 -12.113   3.026   7.536
  133   2HZ   LYS  14          2HZ       LYS  14 -11.816   1.777   8.610
  134   3HZ   LYS  14          3HZ       LYS  14 -11.970   3.345   9.201
  135    H    TRP  15           H        TRP  15  -4.975   6.627   6.398
  136    HA   TRP  15           HA       TRP  15  -3.577   7.492   7.687
  137   1HB   TRP  15          1HB       TRP  15  -4.107   5.505   9.912
  138   2HB   TRP  15          2HB       TRP  15  -3.262   7.083  10.043
  139    HD1  TRP  15           HD1      TRP  15  -6.528   5.699  10.820
  140    HE1  TRP  15           HE1      TRP  15  -8.337   7.552  10.934
  141    HE3  TRP  15           HE3      TRP  15  -3.997   9.446   8.498
  142    HZ2  TRP  15           HZ2      TRP  15  -8.643  10.187  10.066
  143    HZ3  TRP  15           HZ3      TRP  15  -5.104  11.588   8.160
  144    HH2  TRP  15           HH2      TRP  15  -7.383  11.963   8.926
  145    H    PHE  16           H        PHE  16  -1.386   7.391   8.555
  146    HA   PHE  16           HA       PHE  16   0.047   5.225   7.230
  147   1HB   PHE  16          1HB       PHE  16  -0.580   7.792   6.184
  148   2HB   PHE  16          2HB       PHE  16   1.081   8.006   6.771
  149    HD1  PHE  16           HD1      PHE  16  -0.929   5.367   4.988
  150    HD2  PHE  16           HD2      PHE  16   2.580   7.775   5.041
  151    HE1  PHE  16           HE1      PHE  16  -0.271   4.457   2.818
  152    HE2  PHE  16           HE2      PHE  16   3.216   6.887   2.856
  153    HZ   PHE  16           HZ       PHE  16   1.789   5.230   1.729
  154    H    ASN  17           H        ASN  17   2.631   6.182   7.452
  155    HA   ASN  17           HA       ASN  17   2.886   6.900  10.288
  156   1HB   ASN  17          1HB       ASN  17   3.375   4.405   9.673
  157   2HB   ASN  17          2HB       ASN  17   4.831   5.018   8.843
  158   1HD2  ASN  17          2HD2      ASN  17   6.541   5.847  10.169
  159   2HD2  ASN  17          1HD2      ASN  17   6.550   5.620  11.920
  160    H    VAL  18           H        VAL  18   2.759   8.998   9.068
  161    HA   VAL  18           HA       VAL  18   4.825   9.793   7.342
  162    HB   VAL  18           HB       VAL  18   3.856  12.092   7.955
  163   1HG1  VAL  18          1HG1      VAL  18   3.340  10.771   5.871
  164   2HG1  VAL  18          2HG1      VAL  18   2.027   9.900   6.759
  165   3HG1  VAL  18          3HG1      VAL  18   1.905  11.678   6.483
  166   1HG2  VAL  18          1HG2      VAL  18   2.820  11.363  10.172
  167   2HG2  VAL  18          2HG2      VAL  18   1.674  12.124   9.027
  168   3HG2  VAL  18          3HG2      VAL  18   1.638  10.357   9.240
  169    H    ARG  19           H        ARG  19   4.660   9.813  10.783
  170    HA   ARG  19           HA       ARG  19   6.419  11.853  11.303
  171   1HB   ARG  19          1HB       ARG  19   4.981  10.513  12.921
  172   2HB   ARG  19          2HB       ARG  19   6.248   9.254  12.890
  173   1HG   ARG  19          1HG       ARG  19   7.902  11.114  13.660
  174   2HG   ARG  19          2HG       ARG  19   6.509  12.176  13.858
  175   1HD   ARG  19          1HD       ARG  19   6.979   9.494  15.311
  176   2HD   ARG  19          2HD       ARG  19   7.203  11.150  16.026
  177    HE   ARG  19           HE       ARG  19   4.521  11.020  14.971
  178   1HH1  ARG  19          1HH1      ARG  19   2.784  10.656  16.136
  179   2HH1  ARG  19          2HH1      ARG  19   2.824   9.913  17.723
  180   1HH2  ARG  19          1HH2      ARG  19   6.358   9.400  17.612
  181   2HH2  ARG  19          2HH2      ARG  19   4.877   9.142  18.512
  182    H    ASN  20           H        ASN  20   7.237   8.424  10.839
  183    HA   ASN  20           HA       ASN  20  10.054   9.194  10.508
  184   1HB   ASN  20          1HB       ASN  20   8.715   6.428  10.669
  185   2HB   ASN  20          2HB       ASN  20  10.496   6.723  10.428
  186   1HD2  ASN  20          2HD2      ASN  20  11.761   7.313  12.239
  187   2HD2  ASN  20          1HD2      ASN  20  11.081   7.555  13.825
  188    H    GLY  21           H        GLY  21   7.317   7.913   8.582
  189   1HA   GLY  21          1HA       GLY  21   8.904   8.668   6.216
  190   2HA   GLY  21          2HA       GLY  21   7.141   8.768   6.439
  191    H    TYR  22           H        TYR  22   6.210   6.502   7.113
  192    HA   TYR  22           HA       TYR  22   6.926   4.699   4.945
  193   1HB   TYR  22          1HB       TYR  22   6.653   3.900   7.917
  194   2HB   TYR  22          2HB       TYR  22   6.579   2.722   6.561
  195    HD1  TYR  22           HD1      TYR  22   8.519   2.482   5.036
  196    HD2  TYR  22           HD2      TYR  22   8.749   4.601   8.711
  197    HE1  TYR  22           HE1      TYR  22  10.959   2.189   5.059
  198    HE2  TYR  22           HE2      TYR  22  11.182   4.318   8.728
  199    HH   TYR  22           HH       TYR  22  12.985   3.688   7.505
  200    H    GLY  23           H        GLY  23   5.151   3.069   4.632
  201   1HA   GLY  23          1HA       GLY  23   2.884   3.553   3.941
  202   2HA   GLY  23          2HA       GLY  23   2.568   4.076   5.644
  203    H    PHE  24           H        PHE  24   0.860   2.438   5.728
  204    HA   PHE  24           HA       PHE  24   1.716  -0.251   5.212
  205   1HB   PHE  24          1HB       PHE  24   0.681  -1.127   7.348
  206   2HB   PHE  24          2HB       PHE  24   2.231  -0.266   7.545
  207    HD1  PHE  24           HD1      PHE  24   2.402   1.685   8.801
  208    HD2  PHE  24           HD2      PHE  24  -1.434   0.105   7.929
  209    HE1  PHE  24           HE1      PHE  24   1.398   3.265  10.390
  210    HE2  PHE  24           HE2      PHE  24  -2.454   1.691   9.493
  211    HZ   PHE  24           HZ       PHE  24  -1.037   3.283  10.713
  212    H    ILE  25           H        ILE  25   0.104  -1.621   4.627
  213    HA   ILE  25           HA       ILE  25  -2.465  -0.350   4.035
  214    HB   ILE  25           HB       ILE  25  -1.682  -2.944   2.794
  215   1HG1  ILE  25          1HG1      ILE  25  -0.551  -0.222   1.912
  216   2HG1  ILE  25          2HG1      ILE  25   0.401  -1.612   2.527
  217   1HG2  ILE  25          1HG2      ILE  25  -3.190  -0.412   1.890
  218   2HG2  ILE  25          2HG2      ILE  25  -3.017  -1.912   0.918
  219   3HG2  ILE  25          3HG2      ILE  25  -3.943  -1.944   2.457
  220   1HD1  ILE  25          1HD1      ILE  25  -0.303  -2.990   0.564
  221   2HD1  ILE  25          2HD1      ILE  25  -1.172  -1.564  -0.111
  222   3HD1  ILE  25          3HD1      ILE  25   0.605  -1.504   0.103
  223    H    ASN  26           H        ASN  26  -4.391  -1.478   4.585
  224    HA   ASN  26           HA       ASN  26  -3.963  -3.829   6.293
  225   1HB   ASN  26          1HB       ASN  26  -5.266  -1.691   7.118
  226   2HB   ASN  26          2HB       ASN  26  -6.599  -2.308   6.096
  227   1HD2  ASN  26          2HD2      ASN  26  -4.144  -3.531   8.510
  228   2HD2  ASN  26          1HD2      ASN  26  -5.282  -4.514   9.393
  229    H    ARG  27           H        ARG  27  -3.595  -5.380   4.734
  230    HA   ARG  27           HA       ARG  27  -5.282  -5.822   2.587
  231   1HB   ARG  27          1HB       ARG  27  -2.934  -6.520   2.904
  232   2HB   ARG  27          2HB       ARG  27  -3.412  -7.674   4.175
  233   1HG   ARG  27          1HG       ARG  27  -4.837  -7.860   1.522
  234   2HG   ARG  27          2HG       ARG  27  -3.085  -8.241   1.501
  235   1HD   ARG  27          1HD       ARG  27  -3.300 -10.107   3.018
  236   2HD   ARG  27          2HD       ARG  27  -5.004  -9.659   3.454
  237    HE   ARG  27           HE       ARG  27  -5.400  -9.932   0.861
  238   1HH1  ARG  27          1HH1      ARG  27  -6.317 -11.740  -0.096
  239   2HH1  ARG  27          2HH1      ARG  27  -6.345 -13.178   0.869
  240   1HH2  ARG  27          1HH2      ARG  27  -3.805 -12.236   3.115
  241   2HH2  ARG  27          2HH2      ARG  27  -5.055 -13.353   2.778
  242    H    ASN  28           H        ASN  28  -7.185  -6.840   2.312
  243    HA   ASN  28           HA       ASN  28  -8.557  -7.611   4.650
  244   1HB   ASN  28          1HB       ASN  28 -10.511  -8.092   3.171
  245   2HB   ASN  28          2HB       ASN  28  -9.907  -6.426   3.284
  246   1HD2  ASN  28          2HD2      ASN  28 -10.163  -5.420   1.375
  247   2HD2  ASN  28          1HD2      ASN  28  -9.714  -6.083  -0.166
  248    H    ASP  29           H        ASP  29  -8.297  -9.339   5.693
  249    HA   ASP  29           HA       ASP  29  -9.102 -11.763   4.650
  250   1HB   ASP  29          1HB       ASP  29  -6.716 -11.654   3.710
  251   2HB   ASP  29          2HB       ASP  29  -6.099 -11.885   5.377
  252    H    THR  30           H        THR  30  -6.619 -10.985   7.150
  253    HA   THR  30           HA       THR  30  -8.588 -11.297   9.234
  254    HB   THR  30           HB       THR  30  -7.785 -13.563   8.975
  255    HG1  THR  30           HG1      THR  30  -6.757 -13.799  10.977
  256   1HG2  THR  30          1HG2      THR  30  -5.619 -13.170   7.832
  257   2HG2  THR  30          2HG2      THR  30  -4.925 -12.428   9.323
  258   3HG2  THR  30          3HG2      THR  30  -5.407 -14.159   9.309
  259    H    LYS  31           H        LYS  31  -7.739  -9.112   8.061
  260    HA   LYS  31           HA       LYS  31  -6.605  -7.252   8.107
  261   1HB   LYS  31          1HB       LYS  31  -6.784  -8.003  11.037
  262   2HB   LYS  31          2HB       LYS  31  -6.131  -6.429  10.483
  263   1HG   LYS  31          1HG       LYS  31  -8.271  -5.915  11.066
  264   2HG   LYS  31          2HG       LYS  31  -8.352  -6.012   9.290
  265   1HD   LYS  31          1HD       LYS  31  -9.516  -8.176   9.443
  266   2HD   LYS  31          2HD       LYS  31  -9.191  -8.287  11.198
  267   1HE   LYS  31          1HE       LYS  31 -10.705  -6.435  11.702
  268   2HE   LYS  31          2HE       LYS  31 -10.934  -6.064   9.947
  269   1HZ   LYS  31          1HZ       LYS  31 -11.612  -8.739  11.051
  270   2HZ   LYS  31          2HZ       LYS  31 -12.700  -7.453  11.135
  271   3HZ   LYS  31          3HZ       LYS  31 -12.176  -7.967   9.640
  272    H    GLU  32           H        GLU  32  -4.607  -8.167   6.825
  273    HA   GLU  32           HA       GLU  32  -2.431  -8.800   8.640
  274   1HB   GLU  32          1HB       GLU  32  -3.196  -9.408   5.774
  275   2HB   GLU  32          2HB       GLU  32  -1.569  -9.786   6.409
  276   1HG   GLU  32          1HG       GLU  32  -3.886 -10.761   8.115
  277   2HG   GLU  32          2HG       GLU  32  -3.776 -11.504   6.481
  278    H    ASP  33           H        ASP  33  -0.562  -7.649   8.655
  279    HA   ASP  33           HA       ASP  33  -0.984  -4.956   7.713
  280   1HB   ASP  33          1HB       ASP  33  -0.568  -5.599  10.127
  281   2HB   ASP  33          2HB       ASP  33   1.075  -6.156   9.666
  282    H    VAL  34           H        VAL  34  -0.134  -4.295   5.853
  283    HA   VAL  34           HA       VAL  34   2.295  -5.671   4.877
  284    HB   VAL  34           HB       VAL  34   0.169  -4.183   3.285
  285   1HG1  VAL  34          1HG1      VAL  34   2.391  -6.218   2.570
  286   2HG1  VAL  34          2HG1      VAL  34   1.217  -5.502   1.414
  287   3HG1  VAL  34          3HG1      VAL  34   2.440  -4.447   2.213
  288   1HG2  VAL  34          1HG2      VAL  34   0.357  -7.195   3.935
  289   2HG2  VAL  34          2HG2      VAL  34  -0.989  -6.079   4.360
  290   3HG2  VAL  34          3HG2      VAL  34  -0.660  -6.464   2.641
  291    H    PHE  35           H        PHE  35   4.108  -4.359   5.202
  292    HA   PHE  35           HA       PHE  35   3.607  -1.523   5.276
  293   1HB   PHE  35          1HB       PHE  35   5.280  -1.270   6.617
  294   2HB   PHE  35          2HB       PHE  35   5.179  -3.033   6.828
  295    HD1  PHE  35           HD1      PHE  35   6.850  -4.474   5.773
  296    HD2  PHE  35           HD2      PHE  35   7.035  -0.252   5.410
  297    HE1  PHE  35           HE1      PHE  35   9.207  -4.639   5.113
  298    HE2  PHE  35           HE2      PHE  35   9.391  -0.401   4.756
  299    HZ   PHE  35           HZ       PHE  35  10.479  -2.599   4.604
  300    H    VAL  36           H        VAL  36   4.479   0.080   3.983
  301    HA   VAL  36           HA       VAL  36   5.627  -0.851   1.478
  302    HB   VAL  36           HB       VAL  36   3.227  -0.834   1.222
  303   1HG1  VAL  36          1HG1      VAL  36   3.435   2.181   1.857
  304   2HG1  VAL  36          2HG1      VAL  36   2.003   1.348   1.154
  305   3HG1  VAL  36          3HG1      VAL  36   2.557   0.916   2.810
  306   1HG2  VAL  36          1HG2      VAL  36   4.743  -0.411  -0.720
  307   2HG2  VAL  36          2HG2      VAL  36   3.185   0.481  -0.866
  308   3HG2  VAL  36          3HG2      VAL  36   4.672   1.361  -0.400
  309    H    HIS  37           H        HIS  37   6.954   0.499   0.459
  310    HA   HIS  37           HA       HIS  37   7.884   2.852   1.930
  311   1HB   HIS  37          1HB       HIS  37   9.281   0.759   1.108
  312   2HB   HIS  37          2HB       HIS  37   9.176   1.499  -0.505
  313    HD1  HIS  37           HD1      HIS  37  11.648   1.998  -0.668
  314    HD2  HIS  37           HD2      HIS  37  10.115   3.349   2.985
  315    HE1  HIS  37           HE1      HIS  37  13.545   3.205   0.586
  316    H    GLN  38           H        GLN  38   7.879   4.905   0.909
  317    HA   GLN  38           HA       GLN  38   5.728   5.346  -0.694
  318   1HB   GLN  38          1HB       GLN  38   8.127   7.096  -0.069
  319   2HB   GLN  38          2HB       GLN  38   6.700   7.686  -0.976
  320   1HG   GLN  38          1HG       GLN  38   5.180   7.101   0.896
  321   2HG   GLN  38          2HG       GLN  38   6.571   6.530   1.875
  322   1HE2  GLN  38          2HE2      GLN  38   8.418   8.313   2.140
  323   2HE2  GLN  38          1HE2      GLN  38   7.746   9.849   2.617
  324    H    THR  39           H        THR  39   9.065   5.009  -1.844
  325    HA   THR  39           HA       THR  39   8.471   5.733  -4.462
  326    HB   THR  39           HB       THR  39  10.702   5.679  -3.447
  327    HG1  THR  39           HG1      THR  39  11.529   4.404  -5.420
  328   1HG2  THR  39          1HG2      THR  39  10.551   3.364  -2.417
  329   2HG2  THR  39          2HG2      THR  39  10.626   2.646  -4.074
  330   3HG2  THR  39          3HG2      THR  39  12.003   3.611  -3.450
  331    H    ALA  40           H        ALA  40   7.535   2.808  -2.890
  332    HA   ALA  40           HA       ALA  40   7.532   1.232  -5.299
  333   1HB   ALA  40          1HB       ALA  40   6.335   0.724  -2.512
  334   2HB   ALA  40          2HB       ALA  40   6.537  -0.491  -3.830
  335   3HB   ALA  40          3HB       ALA  40   7.984   0.236  -3.048
  336    H    ILE  41           H        ILE  41   5.463   3.472  -3.718
  337    HA   ILE  41           HA       ILE  41   3.034   2.525  -4.957
  338    HB   ILE  41           HB       ILE  41   3.626   5.055  -3.392
  339   1HG1  ILE  41          1HG1      ILE  41   2.469   2.421  -2.331
  340   2HG1  ILE  41          2HG1      ILE  41   4.158   2.954  -2.073
  341   1HG2  ILE  41          1HG2      ILE  41   0.989   3.562  -4.079
  342   2HG2  ILE  41          2HG2      ILE  41   1.113   5.019  -3.032
  343   3HG2  ILE  41          3HG2      ILE  41   1.509   5.149  -4.760
  344   1HD1  ILE  41          1HD1      ILE  41   3.317   5.074  -0.977
  345   2HD1  ILE  41          2HD1      ILE  41   1.648   4.403  -1.055
  346   3HD1  ILE  41          3HD1      ILE  41   2.911   3.554  -0.095
  347    H    LYS  42           H        LYS  42   2.005   3.558  -6.688
  348    HA   LYS  42           HA       LYS  42   3.460   4.626  -8.648
  349   1HB   LYS  42          1HB       LYS  42   1.435   5.145  -9.819
  350   2HB   LYS  42          2HB       LYS  42   1.282   3.642  -8.895
  351   1HG   LYS  42          1HG       LYS  42  -0.768   4.579  -8.518
  352   2HG   LYS  42          2HG       LYS  42   0.110   5.020  -7.036
  353   1HD   LYS  42          1HD       LYS  42  -1.320   6.802  -7.788
  354   2HD   LYS  42          2HD       LYS  42   0.361   7.371  -7.943
  355   1HE   LYS  42          1HE       LYS  42   0.291   7.071 -10.411
  356   2HE   LYS  42          2HE       LYS  42  -1.311   6.248 -10.287
  357   1HZ   LYS  42          1HZ       LYS  42  -2.236   8.294  -9.417
  358   2HZ   LYS  42          2HZ       LYS  42  -0.765   9.089  -9.537
  359   3HZ   LYS  42          3HZ       LYS  42  -1.567   8.547 -10.931
  360    H    LYS  43           H        LYS  43   3.756   6.586  -9.748
  361    HA   LYS  43           HA       LYS  43   3.509   8.987  -8.178
  362   1HB   LYS  43          1HB       LYS  43   5.977   9.274  -7.901
  363   2HB   LYS  43          2HB       LYS  43   5.352   7.863  -7.008
  364   1HG   LYS  43          1HG       LYS  43   6.103   6.350  -8.876
  365   2HG   LYS  43          2HG       LYS  43   6.810   7.763  -9.710
  366   1HD   LYS  43          1HD       LYS  43   8.318   8.152  -7.747
  367   2HD   LYS  43          2HD       LYS  43   7.574   6.751  -6.901
  368   1HE   LYS  43          1HE       LYS  43   8.352   5.208  -8.735
  369   2HE   LYS  43          2HE       LYS  43   9.083   6.617  -9.598
  370   1HZ   LYS  43          1HZ       LYS  43   9.908   5.641  -6.880
  371   2HZ   LYS  43          2HZ       LYS  43  10.698   5.369  -8.314
  372   3HZ   LYS  43          3HZ       LYS  43  10.577   6.935  -7.720
  373    H    ASN  44           H        ASN  44   4.699  10.770  -9.188
  374    HA   ASN  44           HA       ASN  44   5.172  12.111 -10.791
  375   1HB   ASN  44          1HB       ASN  44   5.956   9.686 -12.476
  376   2HB   ASN  44          2HB       ASN  44   6.329  11.399 -12.879
  377   1HD2  ASN  44          2HD2      ASN  44   7.399  12.648 -10.831
  378   2HD2  ASN  44          1HD2      ASN  44   8.666  11.728 -10.066
  379    H    ASN  45           H        ASN  45   3.212   9.519 -12.206
  380    HA   ASN  45           HA       ASN  45   2.074  11.278 -14.140
  381   1HB   ASN  45          1HB       ASN  45   1.258   8.475 -13.233
  382   2HB   ASN  45          2HB       ASN  45   0.520   9.359 -14.626
  383   1HD2  ASN  45          2HD2      ASN  45   2.594   6.911 -14.182
  384   2HD2  ASN  45          1HD2      ASN  45   3.910   7.337 -15.253
  385    HA   PRO  46           HA       PRO  46  -0.548  12.620 -10.797
  386   1HB   PRO  46          1HB       PRO  46  -1.596  14.924 -11.840
  387   2HB   PRO  46          2HB       PRO  46   0.172  14.786 -11.523
  388   1HG   PRO  46          1HG       PRO  46  -1.273  14.319 -14.203
  389   2HG   PRO  46          2HG       PRO  46   0.153  15.391 -13.890
  390   1HD   PRO  46          1HD       PRO  46   0.378  12.738 -14.782
  391   2HD   PRO  46          2HD       PRO  46   1.624  13.511 -13.696
  392    H    ARG  47           H        ARG  47  -2.900  12.901 -10.326
  393    HA   ARG  47           HA       ARG  47  -4.616  11.883 -12.499
  394   1HB   ARG  47          1HB       ARG  47  -4.123  10.265 -10.624
  395   2HB   ARG  47          2HB       ARG  47  -4.965  11.371  -9.510
  396   1HG   ARG  47          1HG       ARG  47  -7.051  11.132 -10.948
  397   2HG   ARG  47          2HG       ARG  47  -6.141  10.048 -12.049
  398   1HD   ARG  47          1HD       ARG  47  -5.847   8.370 -10.237
  399   2HD   ARG  47          2HD       ARG  47  -6.698   9.430  -9.066
  400    HE   ARG  47           HE       ARG  47  -7.920   7.783 -11.152
  401   1HH1  ARG  47          1HH1      ARG  47 -10.201   7.744 -11.372
  402   2HH1  ARG  47          2HH1      ARG  47 -11.157   8.789 -10.372
  403   1HH2  ARG  47          1HH2      ARG  47  -8.496  10.704  -9.106
  404   2HH2  ARG  47          2HH2      ARG  47 -10.198  10.452  -9.108
  405    H    LYS  48           H        LYS  48  -5.358  13.772 -13.292
  406    HA   LYS  48           HA       LYS  48  -5.688  16.012 -11.498
  407   1HB   LYS  48          1HB       LYS  48  -5.667  15.712 -14.525
  408   2HB   LYS  48          2HB       LYS  48  -5.846  17.277 -13.671
  409   1HG   LYS  48          1HG       LYS  48  -3.602  17.177 -12.794
  410   2HG   LYS  48          2HG       LYS  48  -3.416  15.462 -13.266
  411   1HD   LYS  48          1HD       LYS  48  -2.190  16.913 -14.832
  412   2HD   LYS  48          2HD       LYS  48  -3.492  15.985 -15.627
  413   1HE   LYS  48          1HE       LYS  48  -4.966  18.062 -15.602
  414   2HE   LYS  48          2HE       LYS  48  -3.592  18.990 -14.884
  415   1HZ   LYS  48          1HZ       LYS  48  -3.515  17.505 -17.468
  416   2HZ   LYS  48          2HZ       LYS  48  -3.803  19.152 -17.314
  417   3HZ   LYS  48          3HZ       LYS  48  -2.298  18.514 -16.837
  418    H    TYR  49           H        TYR  49  -7.741  14.941 -10.588
  419    HA   TYR  49           HA       TYR  49 -10.004  16.020 -12.157
  420   1HB   TYR  49          1HB       TYR  49  -9.940  13.821 -10.018
  421   2HB   TYR  49          2HB       TYR  49 -11.457  14.585 -10.613
  422    HD1  TYR  49           HD1      TYR  49  -8.915  12.153 -11.337
  423    HD2  TYR  49           HD2      TYR  49 -12.027  14.497 -13.004
  424    HE1  TYR  49           HE1      TYR  49  -9.038  10.618 -13.261
  425    HE2  TYR  49           HE2      TYR  49 -12.159  12.986 -14.919
  426    HH   TYR  49           HH       TYR  49 -11.436  11.115 -15.841
  427    H    LEU  50           H        LEU  50 -11.794  16.610 -10.244
  428    HA   LEU  50           HA       LEU  50 -10.422  18.545  -8.560
  429   1HB   LEU  50          1HB       LEU  50 -13.368  17.822  -8.892
  430   2HB   LEU  50          2HB       LEU  50 -12.747  19.048  -7.732
  431    HG   LEU  50           HG       LEU  50 -12.413  19.168 -10.775
  432   1HD1  LEU  50          1HD1      LEU  50 -14.798  19.386 -10.078
  433   2HD1  LEU  50          2HD1      LEU  50 -14.342  20.656  -8.878
  434   3HD1  LEU  50          3HD1      LEU  50 -14.145  20.978 -10.635
  435   1HD2  LEU  50          1HD2      LEU  50 -11.811  21.255  -8.576
  436   2HD2  LEU  50          2HD2      LEU  50 -10.601  20.446  -9.646
  437   3HD2  LEU  50          3HD2      LEU  50 -11.808  21.573 -10.350
  438    H    ARG  51           H        ARG  51 -13.075  16.406  -7.484
  439    HA   ARG  51           HA       ARG  51 -11.495  15.932  -5.106
  440   1HB   ARG  51          1HB       ARG  51 -14.366  15.204  -5.811
  441   2HB   ARG  51          2HB       ARG  51 -13.624  15.053  -4.189
  442   1HG   ARG  51          1HG       ARG  51 -13.303  17.484  -4.020
  443   2HG   ARG  51          2HG       ARG  51 -13.861  17.745  -5.693
  444   1HD   ARG  51          1HD       ARG  51 -15.651  16.631  -3.442
  445   2HD   ARG  51          2HD       ARG  51 -15.621  18.339  -4.066
  446    HE   ARG  51           HE       ARG  51 -15.915  16.692  -6.355
  447   1HH1  ARG  51          1HH1      ARG  51 -17.911  17.604  -3.511
  448   2HH1  ARG  51          2HH1      ARG  51 -19.387  17.213  -4.370
  449   1HH2  ARG  51          1HH2      ARG  51 -17.838  15.988  -7.219
  450   2HH2  ARG  51          2HH2      ARG  51 -19.345  16.299  -6.384
  451    H    SER  52           H        SER  52 -10.567  14.105  -4.463
  452    HA   SER  52           HA       SER  52 -11.583  11.600  -5.536
  453   1HB   SER  52          1HB       SER  52  -9.321  12.321  -6.588
  454   2HB   SER  52          2HB       SER  52  -8.608  12.063  -4.975
  455    HG   SER  52           HG       SER  52  -8.450  10.258  -6.294
  456    H    VAL  53           H        VAL  53 -10.022   9.947  -4.051
  457    HA   VAL  53           HA       VAL  53 -10.794  10.523  -1.283
  458    HB   VAL  53           HB       VAL  53 -11.178   8.068  -1.044
  459   1HG1  VAL  53          1HG1      VAL  53 -13.050   9.691  -1.294
  460   2HG1  VAL  53          2HG1      VAL  53 -12.958   9.546  -3.089
  461   3HG1  VAL  53          3HG1      VAL  53 -13.423   8.126  -2.095
  462   1HG2  VAL  53          1HG2      VAL  53  -9.828   7.346  -3.096
  463   2HG2  VAL  53          2HG2      VAL  53 -11.494   6.693  -3.055
  464   3HG2  VAL  53          3HG2      VAL  53 -11.108   8.065  -4.141
  465    H    GLY  54           H        GLY  54  -9.590   9.039   0.280
  466   1HA   GLY  54          1HA       GLY  54  -6.925   9.531   0.210
  467   2HA   GLY  54          2HA       GLY  54  -7.139   7.959  -0.656
  468    H    ASP  55           H        ASP  55  -8.390   9.481   2.377
  469    HA   ASP  55           HA       ASP  55  -7.439   7.350   3.965
  470   1HB   ASP  55          1HB       ASP  55  -8.776   8.590   5.759
  471   2HB   ASP  55          2HB       ASP  55  -7.467   9.508   4.939
  472    H    GLY  56           H        GLY  56  -8.245   5.405   3.288
  473   1HA   GLY  56          1HA       GLY  56 -11.168   5.082   3.381
  474   2HA   GLY  56          2HA       GLY  56  -9.902   3.837   3.692
  475    H    GLU  57           H        GLU  57  -8.496   5.109   1.188
  476    HA   GLU  57           HA       GLU  57 -10.185   3.996  -0.861
  477   1HB   GLU  57          1HB       GLU  57  -8.761   4.770  -2.477
  478   2HB   GLU  57          2HB       GLU  57  -8.753   6.034  -1.228
  479   1HG   GLU  57          1HG       GLU  57  -6.534   5.122  -0.384
  480   2HG   GLU  57          2HG       GLU  57  -6.563   3.894  -1.698
  481    H    THR  58           H        THR  58  -9.567   2.322  -2.330
  482    HA   THR  58           HA       THR  58  -8.048   0.224  -0.995
  483    HB   THR  58           HB       THR  58  -9.407  -0.281  -3.597
  484    HG1  THR  58           HG1      THR  58 -11.306  -0.716  -2.310
  485   1HG2  THR  58          1HG2      THR  58  -9.172  -1.813  -0.918
  486   2HG2  THR  58          2HG2      THR  58  -9.912  -2.443  -2.426
  487   3HG2  THR  58          3HG2      THR  58  -8.147  -2.110  -2.361
  488    H    VAL  59           H        VAL  59  -6.355  -0.853  -2.076
  489    HA   VAL  59           HA       VAL  59  -5.384   0.250  -4.591
  490    HB   VAL  59           HB       VAL  59  -3.040   0.117  -3.686
  491   1HG1  VAL  59          1HG1      VAL  59  -4.192   2.261  -4.208
  492   2HG1  VAL  59          2HG1      VAL  59  -4.876   2.299  -2.532
  493   3HG1  VAL  59          3HG1      VAL  59  -3.097   2.404  -2.782
  494   1HG2  VAL  59          1HG2      VAL  59  -3.629  -1.159  -1.553
  495   2HG2  VAL  59          2HG2      VAL  59  -2.714   0.370  -1.259
  496   3HG2  VAL  59          3HG2      VAL  59  -4.487   0.316  -0.963
  497    H    GLU  60           H        GLU  60  -3.860  -1.162  -5.667
  498    HA   GLU  60           HA       GLU  60  -4.089  -3.952  -4.829
  499   1HB   GLU  60          1HB       GLU  60  -3.196  -2.849  -7.548
  500   2HB   GLU  60          2HB       GLU  60  -3.328  -4.573  -7.097
  501   1HG   GLU  60          1HG       GLU  60  -5.791  -4.410  -6.963
  502   2HG   GLU  60          2HG       GLU  60  -5.714  -2.658  -7.399
  503    H    PHE  61           H        PHE  61  -2.439  -5.179  -4.538
  504    HA   PHE  61           HA       PHE  61   0.252  -4.360  -5.128
  505   1HB   PHE  61          1HB       PHE  61   0.962  -4.422  -2.640
  506   2HB   PHE  61          2HB       PHE  61  -0.037  -3.021  -3.142
  507    HD1  PHE  61           HD1      PHE  61  -0.026  -6.128  -1.208
  508    HD2  PHE  61           HD2      PHE  61  -2.300  -2.799  -2.494
  509    HE1  PHE  61           HE1      PHE  61  -1.707  -6.623   0.517
  510    HE2  PHE  61           HE2      PHE  61  -4.002  -3.284  -0.819
  511    HZ   PHE  61           HZ       PHE  61  -3.716  -5.221   0.699
  512    H    ASP  62           H        ASP  62   1.789  -5.997  -3.746
  513    HA   ASP  62           HA       ASP  62   0.541  -8.672  -3.875
  514   1HB   ASP  62          1HB       ASP  62   3.476  -7.837  -4.205
  515   2HB   ASP  62          2HB       ASP  62   2.862  -9.525  -4.210
  516    H    VAL  63           H        VAL  63   0.950 -10.028  -1.967
  517    HA   VAL  63           HA       VAL  63   1.820  -8.481   0.351
  518    HB   VAL  63           HB       VAL  63   0.406 -11.159   0.125
  519   1HG1  VAL  63          1HG1      VAL  63   1.717 -10.717   2.368
  520   2HG1  VAL  63          2HG1      VAL  63   0.606  -9.308   2.606
  521   3HG1  VAL  63          3HG1      VAL  63  -0.048 -10.972   2.520
  522   1HG2  VAL  63          1HG2      VAL  63  -1.040  -9.235  -0.683
  523   2HG2  VAL  63          2HG2      VAL  63  -1.620 -10.002   0.850
  524   3HG2  VAL  63          3HG2      VAL  63  -0.746  -8.432   0.923
  525    H    VAL  64           H        VAL  64   4.235  -8.712   0.087
  526    HA   VAL  64           HA       VAL  64   5.058 -11.523  -0.175
  527    HB   VAL  64           HB       VAL  64   6.609 -10.585  -1.947
  528   1HG1  VAL  64          1HG1      VAL  64   4.486 -12.050  -2.250
  529   2HG1  VAL  64          2HG1      VAL  64   3.597 -10.554  -2.582
  530   3HG1  VAL  64          3HG1      VAL  64   4.949 -11.011  -3.665
  531   1HG2  VAL  64          1HG2      VAL  64   6.214  -8.103  -1.508
  532   2HG2  VAL  64          2HG2      VAL  64   5.822  -8.642  -3.193
  533   3HG2  VAL  64          3HG2      VAL  64   4.504  -8.315  -2.029
  534    H    GLU  65           H        GLU  65   5.754 -11.518   2.026
  535    HA   GLU  65           HA       GLU  65   8.574 -10.812   1.939
  536   1HB   GLU  65          1HB       GLU  65   7.569  -8.879   3.078
  537   2HB   GLU  65          2HB       GLU  65   6.805  -9.955   4.269
  538   1HG   GLU  65          1HG       GLU  65   9.165 -10.781   4.919
  539   2HG   GLU  65          2HG       GLU  65   9.837  -9.522   3.815
  540    H    GLY  66           H        GLY  66   6.574 -11.946   4.603
  541   1HA   GLY  66          1HA       GLY  66   7.831 -14.613   4.294
  542   2HA   GLY  66          2HA       GLY  66   6.278 -14.213   5.089
  543    H    GLU  67           H        GLU  67   9.541 -12.796   5.570
  544    HA   GLU  67           HA       GLU  67  10.044 -14.389   7.793
  545   1HB   GLU  67          1HB       GLU  67  11.976 -12.788   8.159
  546   2HB   GLU  67          2HB       GLU  67  11.898 -13.645   6.589
  547   1HG   GLU  67          1HG       GLU  67  11.066 -11.653   5.425
  548   2HG   GLU  67          2HG       GLU  67  10.952 -10.748   6.975
  549    H    LYS  68           H        LYS  68   9.206 -10.850   7.803
  550    HA   LYS  68           HA       LYS  68   8.553 -11.175  10.625
  551   1HB   LYS  68          1HB       LYS  68   8.553  -8.634   8.923
  552   2HB   LYS  68          2HB       LYS  68   8.338  -8.775  10.696
  553   1HG   LYS  68          1HG       LYS  68  10.682  -9.909  10.730
  554   2HG   LYS  68          2HG       LYS  68  10.850  -9.326   9.038
  555   1HD   LYS  68          1HD       LYS  68  10.215  -6.984   9.933
  556   2HD   LYS  68          2HD       LYS  68  10.405  -7.648  11.587
  557   1HE   LYS  68          1HE       LYS  68  12.579  -7.420   9.383
  558   2HE   LYS  68          2HE       LYS  68  12.446  -6.431  10.880
  559   1HZ   LYS  68          1HZ       LYS  68  12.643  -8.756  12.043
  560   2HZ   LYS  68          2HZ       LYS  68  13.217  -9.269  10.564
  561   3HZ   LYS  68          3HZ       LYS  68  14.002  -8.006  11.367
  562    H    GLY  69           H        GLY  69   7.009  -9.819   7.673
  563   1HA   GLY  69          1HA       GLY  69   4.454  -9.634   8.434
  564   2HA   GLY  69          2HA       GLY  69   4.684 -11.404   8.146
  565    H    ALA  70           H        ALA  70   4.075  -8.340   6.703
  566    HA   ALA  70           HA       ALA  70   4.702  -9.424   4.030
  567   1HB   ALA  70          1HB       ALA  70   2.284  -9.675   4.510
  568   2HB   ALA  70          2HB       ALA  70   2.174  -7.938   4.951
  569   3HB   ALA  70          3HB       ALA  70   2.560  -8.415   3.252
  570    H    GLU  71           H        GLU  71   5.334  -8.027   2.419
  571    HA   GLU  71           HA       GLU  71   5.115  -5.208   2.965
  572   1HB   GLU  71          1HB       GLU  71   7.155  -4.652   2.038
  573   2HB   GLU  71          2HB       GLU  71   7.489  -5.916   3.289
  574   1HG   GLU  71          1HG       GLU  71   7.928  -7.580   1.528
  575   2HG   GLU  71          2HG       GLU  71   7.495  -6.404   0.231
  576    H    ALA  72           H        ALA  72   5.673  -4.203   0.508
  577    HA   ALA  72           HA       ALA  72   3.870  -5.654  -1.317
  578   1HB   ALA  72          1HB       ALA  72   3.471  -2.910  -0.057
  579   2HB   ALA  72          2HB       ALA  72   2.363  -4.344  -0.026
  580   3HB   ALA  72          3HB       ALA  72   2.621  -3.450  -1.559
  581    H    ALA  73           H        ALA  73   3.871  -4.945  -3.420
  582    HA   ALA  73           HA       ALA  73   6.057  -3.214  -4.260
  583   1HB   ALA  73          1HB       ALA  73   6.924  -5.590  -4.175
  584   2HB   ALA  73          2HB       ALA  73   5.567  -6.101  -5.240
  585   3HB   ALA  73          3HB       ALA  73   6.824  -4.964  -5.871
  586    H    ASN  74           H        ASN  74   5.738  -2.259  -6.183
  587    HA   ASN  74           HA       ASN  74   4.626  -1.136  -7.650
  588   1HB   ASN  74          1HB       ASN  74   3.703  -3.938  -8.425
  589   2HB   ASN  74          2HB       ASN  74   3.545  -2.493  -9.484
  590   1HD2  ASN  74          2HD2      ASN  74   4.961  -4.762 -10.288
  591   2HD2  ASN  74          1HD2      ASN  74   6.589  -4.181 -10.578
  592    H    VAL  75           H        VAL  75   3.381  -0.161  -5.794
  593    HA   VAL  75           HA       VAL  75   0.705  -1.223  -5.569
  594    HB   VAL  75           HB       VAL  75   2.048   0.947  -3.942
  595   1HG1  VAL  75          1HG1      VAL  75  -0.433  -0.843  -3.493
  596   2HG1  VAL  75          2HG1      VAL  75   0.295   0.262  -2.274
  597   3HG1  VAL  75          3HG1      VAL  75  -0.451   0.940  -3.759
  598   1HG2  VAL  75          1HG2      VAL  75   1.973  -2.121  -3.686
  599   2HG2  VAL  75          2HG2      VAL  75   3.422  -1.054  -3.717
  600   3HG2  VAL  75          3HG2      VAL  75   2.315  -1.022  -2.298
  601    H    THR  76           H        THR  76  -1.099  -0.326  -6.333
  602    HA   THR  76           HA       THR  76  -1.196   2.460  -6.978
  603    HB   THR  76           HB       THR  76   0.013   1.589  -8.886
  604    HG1  THR  76           HG1      THR  76  -1.164   2.471 -10.400
  605   1HG2  THR  76          1HG2      THR  76  -0.919  -0.749  -8.949
  606   2HG2  THR  76          2HG2      THR  76  -2.534  -0.094  -9.418
  607   3HG2  THR  76          3HG2      THR  76  -1.132   0.087 -10.531
  608    H    GLY  77           H        GLY  77  -3.237   2.644  -8.468
  609   1HA   GLY  77          1HA       GLY  77  -5.451   3.117  -7.959
  610   2HA   GLY  77          2HA       GLY  77  -5.359   1.920  -6.616
  611    HA   PRO  78           HA       PRO  78  -6.700  -1.253  -9.193
  612   1HB   PRO  78          1HB       PRO  78  -9.589  -0.526  -8.545
  613   2HB   PRO  78          2HB       PRO  78  -8.772  -2.134  -8.403
  614   1HG   PRO  78          1HG       PRO  78  -9.233  -0.575  -6.173
  615   2HG   PRO  78          2HG       PRO  78  -7.623  -1.411  -6.377
  616   1HD   PRO  78          1HD       PRO  78  -8.308   1.519  -7.032
  617   2HD   PRO  78          2HD       PRO  78  -6.900   0.817  -6.119
  618    H    GLY  79           H        GLY  79  -7.482  -1.934 -11.202
  619   1HA   GLY  79          1HA       GLY  79  -7.556  -0.134 -13.223
  620   2HA   GLY  79          2HA       GLY  79  -9.277  -0.468 -12.746

  No H/Q in entry =         620
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   2.008 -13.420   5.663
    2    H2   MET   1           H2       MET   1   0.654 -14.462   5.459
    3    H3   MET   1           H3       MET   1   0.508 -13.006   6.256
    4    HA   MET   1           HA       MET   1   1.922 -13.716   8.015
    5   1HB   MET   1          1HB       MET   1  -0.550 -14.095   8.042
    6   2HB   MET   1          2HB       MET   1  -0.298 -15.766   7.463
    7   1HG   MET   1          1HG       MET   1   1.008 -16.291   9.510
    8   2HG   MET   1          2HG       MET   1   0.821 -14.616  10.095
    9   1HE   MET   1          1HE       MET   1  -1.059 -13.650  11.289
   10   2HE   MET   1          2HE       MET   1  -1.968 -13.602   9.741
   11   3HE   MET   1          3HE       MET   1  -2.752 -14.213  11.238
   12    H    LYS   2           H        LYS   2   1.822 -16.215   5.424
   13    HA   LYS   2           HA       LYS   2   4.445 -16.999   6.482
   14   1HB   LYS   2          1HB       LYS   2   2.560 -18.445   4.550
   15   2HB   LYS   2          2HB       LYS   2   4.250 -18.922   4.887
   16   1HG   LYS   2          1HG       LYS   2   3.683 -19.234   7.313
   17   2HG   LYS   2          2HG       LYS   2   1.987 -18.803   6.963
   18   1HD   LYS   2          1HD       LYS   2   2.143 -21.198   7.083
   19   2HD   LYS   2          2HD       LYS   2   1.827 -20.744   5.379
   20   1HE   LYS   2          1HE       LYS   2   4.226 -21.164   4.805
   21   2HE   LYS   2          2HE       LYS   2   4.598 -21.502   6.542
   22   1HZ   LYS   2          1HZ       LYS   2   2.619 -23.048   4.940
   23   2HZ   LYS   2          2HZ       LYS   2   4.239 -23.498   5.145
   24   3HZ   LYS   2          3HZ       LYS   2   3.184 -23.417   6.463
   25    H    LYS   3           H        LYS   3   6.008 -17.397   4.769
   26    HA   LYS   3           HA       LYS   3   6.740 -15.277   3.381
   27   1HB   LYS   3          1HB       LYS   3   8.038 -17.256   4.127
   28   2HB   LYS   3          2HB       LYS   3   7.340 -18.219   2.804
   29   1HG   LYS   3          1HG       LYS   3   8.486 -16.789   1.117
   30   2HG   LYS   3          2HG       LYS   3   9.085 -15.710   2.424
   31   1HD   LYS   3          1HD       LYS   3  10.254 -17.643   3.476
   32   2HD   LYS   3          2HD       LYS   3   9.724 -18.713   2.138
   33   1HE   LYS   3          1HE       LYS   3  11.096 -17.438   0.505
   34   2HE   LYS   3          2HE       LYS   3  11.507 -16.202   1.764
   35   1HZ   LYS   3          1HZ       LYS   3  12.202 -19.100   1.941
   36   2HZ   LYS   3          2HZ       LYS   3  13.229 -17.893   1.436
   37   3HZ   LYS   3          3HZ       LYS   3  12.639 -17.849   3.023
   38    H    VAL   4           H        VAL   4   5.709 -14.178   2.045
   39    HA   VAL   4           HA       VAL   4   4.823 -13.408   0.204
   40    HB   VAL   4           HB       VAL   4   6.099 -15.776  -1.145
   41   1HG1  VAL   4          1HG1      VAL   4   4.749 -13.218  -2.207
   42   2HG1  VAL   4          2HG1      VAL   4   5.975 -14.143  -3.152
   43   3HG1  VAL   4          3HG1      VAL   4   4.428 -14.929  -2.688
   44   1HG2  VAL   4          1HG2      VAL   4   7.053 -12.857  -0.720
   45   2HG2  VAL   4          2HG2      VAL   4   7.752 -14.338   0.061
   46   3HG2  VAL   4          3HG2      VAL   4   7.863 -14.103  -1.714
   47    H    ILE   5           H        ILE   5   2.608 -13.227   0.225
   48    HA   ILE   5           HA       ILE   5   1.256 -15.785   0.217
   49    HB   ILE   5           HB       ILE   5   0.014 -13.093   0.695
   50   1HG1  ILE   5          1HG1      ILE   5   0.051 -14.290   3.085
   51   2HG1  ILE   5          2HG1      ILE   5   1.541 -15.062   2.461
   52   1HG2  ILE   5          1HG2      ILE   5  -0.749 -16.071   1.090
   53   2HG2  ILE   5          2HG2      ILE   5  -1.652 -14.695   1.795
   54   3HG2  ILE   5          3HG2      ILE   5  -1.569 -14.892  -0.002
   55   1HD1  ILE   5          1HD1      ILE   5   2.267 -12.516   1.928
   56   2HD1  ILE   5          2HD1      ILE   5   0.915 -12.117   3.047
   57   3HD1  ILE   5          3HD1      ILE   5   2.320 -13.105   3.617
   58    H    ALA   6           H        ALA   6   1.247 -12.743  -1.667
   59    HA   ALA   6           HA       ALA   6   0.511 -14.174  -4.028
   60   1HB   ALA   6          1HB       ALA   6  -1.829 -13.067  -4.204
   61   2HB   ALA   6          2HB       ALA   6  -1.694 -14.288  -2.878
   62   3HB   ALA   6          3HB       ALA   6  -1.594 -12.541  -2.483
   63    H    THR   7           H        THR   7   0.149 -12.859  -5.883
   64    HA   THR   7           HA       THR   7   0.886 -10.059  -5.597
   65    HB   THR   7           HB       THR   7   1.272 -10.109  -8.033
   66    HG1  THR   7           HG1      THR   7   0.117 -11.771  -8.825
   67   1HG2  THR   7          1HG2      THR   7   3.118 -10.667  -6.346
   68   2HG2  THR   7          2HG2      THR   7   2.739 -12.410  -6.522
   69   3HG2  THR   7          3HG2      THR   7   3.328 -11.484  -7.945
   70    H    LYS   8           H        LYS   8  -0.408  -8.527  -7.131
   71    HA   LYS   8           HA       LYS   8  -2.251  -7.497  -7.160
   72   1HB   LYS   8          1HB       LYS   8  -1.833  -9.006  -9.229
   73   2HB   LYS   8          2HB       LYS   8  -3.236  -9.949  -8.643
   74   1HG   LYS   8          1HG       LYS   8  -4.067  -8.456 -10.208
   75   2HG   LYS   8          2HG       LYS   8  -4.526  -7.711  -8.599
   76   1HD   LYS   8          1HD       LYS   8  -2.831  -5.988  -8.846
   77   2HD   LYS   8          2HD       LYS   8  -2.063  -6.835 -10.220
   78   1HE   LYS   8          1HE       LYS   8  -4.013  -6.426 -11.682
   79   2HE   LYS   8          2HE       LYS   8  -4.912  -5.639 -10.328
   80   1HZ   LYS   8          1HZ       LYS   8  -2.293  -4.514 -10.856
   81   2HZ   LYS   8          2HZ       LYS   8  -3.404  -4.364 -12.124
   82   3HZ   LYS   8          3HZ       LYS   8  -3.786  -3.773 -10.578
   83    H    VAL   9           H        VAL   9  -2.431  -7.653  -4.861
   84    HA   VAL   9           HA       VAL   9  -4.815  -9.029  -3.905
   85    HB   VAL   9           HB       VAL   9  -2.298  -7.942  -2.571
   86   1HG1  VAL   9          1HG1      VAL   9  -4.769  -9.395  -1.412
   87   2HG1  VAL   9          2HG1      VAL   9  -3.183  -9.274  -0.559
   88   3HG1  VAL   9          3HG1      VAL   9  -4.111  -7.780  -0.927
   89   1HG2  VAL   9          1HG2      VAL   9  -3.259 -10.842  -3.075
   90   2HG2  VAL   9          2HG2      VAL   9  -1.867 -10.025  -3.897
   91   3HG2  VAL   9          3HG2      VAL   9  -1.799 -10.363  -2.135
   92    H    LEU  10           H        LEU  10  -6.264  -7.837  -2.619
   93    HA   LEU  10           HA       LEU  10  -5.977  -4.907  -2.843
   94   1HB   LEU  10          1HB       LEU  10  -8.364  -6.800  -2.733
   95   2HB   LEU  10          2HB       LEU  10  -8.550  -5.125  -2.150
   96    HG   LEU  10           HG       LEU  10  -9.359  -5.284  -4.387
   97   1HD1  LEU  10          1HD1      LEU  10  -8.184  -3.173  -3.545
   98   2HD1  LEU  10          2HD1      LEU  10  -6.710  -3.704  -4.441
   99   3HD1  LEU  10          3HD1      LEU  10  -8.221  -3.346  -5.343
  100   1HD2  LEU  10          1HD2      LEU  10  -7.948  -7.168  -5.253
  101   2HD2  LEU  10          2HD2      LEU  10  -7.955  -5.742  -6.360
  102   3HD2  LEU  10          3HD2      LEU  10  -6.527  -6.060  -5.325
  103    H    GLY  11           H        GLY  11  -6.622  -3.585  -1.127
  104   1HA   GLY  11          1HA       GLY  11  -5.583  -4.071   1.295
  105   2HA   GLY  11          2HA       GLY  11  -7.317  -4.585   1.411
  106    H    THR  12           H        THR  12  -6.902  -2.673   3.053
  107    HA   THR  12           HA       THR  12  -8.108  -0.360   1.706
  108    HB   THR  12           HB       THR  12  -8.479  -1.521   4.459
  109    HG1  THR  12           HG1      THR  12 -10.582  -1.569   3.707
  110   1HG2  THR  12          1HG2      THR  12  -9.505   1.103   3.208
  111   2HG2  THR  12          2HG2      THR  12 -10.260   0.331   4.654
  112   3HG2  THR  12          3HG2      THR  12  -8.577   0.936   4.751
  113    H    VAL  13           H        VAL  13  -7.148   1.588   1.879
  114    HA   VAL  13           HA       VAL  13  -4.862   1.907   3.645
  115    HB   VAL  13           HB       VAL  13  -5.934   3.699   1.440
  116   1HG1  VAL  13          1HG1      VAL  13  -3.287   3.719   3.056
  117   2HG1  VAL  13          2HG1      VAL  13  -3.661   4.754   1.633
  118   3HG1  VAL  13          3HG1      VAL  13  -4.592   4.960   3.140
  119   1HG2  VAL  13          1HG2      VAL  13  -3.606   1.670   1.416
  120   2HG2  VAL  13          2HG2      VAL  13  -5.177   1.511   0.523
  121   3HG2  VAL  13          3HG2      VAL  13  -4.036   2.823   0.106
  122    H    LYS  14           H        LYS  14  -5.133   2.921   5.582
  123    HA   LYS  14           HA       LYS  14  -7.312   4.893   5.845
  124   1HB   LYS  14          1HB       LYS  14  -7.400   2.852   7.287
  125   2HB   LYS  14          2HB       LYS  14  -5.806   3.270   7.969
  126   1HG   LYS  14          1HG       LYS  14  -6.783   5.459   8.824
  127   2HG   LYS  14          2HG       LYS  14  -8.370   4.957   8.143
  128   1HD   LYS  14          1HD       LYS  14  -8.234   2.848   9.560
  129   2HD   LYS  14          2HD       LYS  14  -6.785   3.508  10.363
  130   1HE   LYS  14          1HE       LYS  14  -9.564   4.883  10.307
  131   2HE   LYS  14          2HE       LYS  14  -8.971   3.814  11.636
  132   1HZ   LYS  14          1HZ       LYS  14  -7.617   6.356  10.797
  133   2HZ   LYS  14          2HZ       LYS  14  -8.672   6.163  12.086
  134   3HZ   LYS  14          3HZ       LYS  14  -7.215   5.320  12.077
  135    H    TRP  15           H        TRP  15  -3.981   4.197   6.981
  136    HA   TRP  15           HA       TRP  15  -3.779   6.717   8.132
  137   1HB   TRP  15          1HB       TRP  15  -2.779   4.663   9.018
  138   2HB   TRP  15          2HB       TRP  15  -1.718   4.516   7.606
  139    HD1  TRP  15           HD1      TRP  15  -2.236   7.764   9.813
  140    HE1  TRP  15           HE1      TRP  15   0.107   8.439  10.682
  141    HE3  TRP  15           HE3      TRP  15   0.443   3.825   8.065
  142    HZ2  TRP  15           HZ2      TRP  15   2.674   7.339  10.764
  143    HZ3  TRP  15           HZ3      TRP  15   2.823   3.677   8.602
  144    HH2  TRP  15           HH2      TRP  15   3.926   5.393   9.932
  145    H    PHE  16           H        PHE  16  -1.421   5.492   5.875
  146    HA   PHE  16           HA       PHE  16  -0.301   6.306   4.246
  147   1HB   PHE  16          1HB       PHE  16  -2.600   7.204   3.466
  148   2HB   PHE  16          2HB       PHE  16  -2.012   8.813   3.962
  149    HD1  PHE  16           HD1      PHE  16  -1.913   6.200   1.514
  150    HD2  PHE  16           HD2      PHE  16   0.150   9.659   2.867
  151    HE1  PHE  16           HE1      PHE  16  -0.726   6.332  -0.632
  152    HE2  PHE  16           HE2      PHE  16   1.322   9.795   0.717
  153    HZ   PHE  16           HZ       PHE  16   0.893   8.132  -1.024
  154    H    ASN  17           H        ASN  17   1.698   6.930   4.490
  155    HA   ASN  17           HA       ASN  17   2.274   9.101   6.402
  156   1HB   ASN  17          1HB       ASN  17   2.893   6.816   7.127
  157   2HB   ASN  17          2HB       ASN  17   3.872   6.599   5.640
  158   1HD2  ASN  17          2HD2      ASN  17   5.248   6.032   7.683
  159   2HD2  ASN  17          1HD2      ASN  17   6.180   7.336   8.389
  160    H    VAL  18           H        VAL  18   3.123  10.916   5.486
  161    HA   VAL  18           HA       VAL  18   4.764  10.511   3.070
  162    HB   VAL  18           HB       VAL  18   3.552  13.134   4.077
  163   1HG1  VAL  18          1HG1      VAL  18   4.848  12.259   1.398
  164   2HG1  VAL  18          2HG1      VAL  18   4.099  13.859   1.716
  165   3HG1  VAL  18          3HG1      VAL  18   5.582  13.388   2.600
  166   1HG2  VAL  18          1HG2      VAL  18   2.527  11.195   1.911
  167   2HG2  VAL  18          2HG2      VAL  18   1.682  11.621   3.455
  168   3HG2  VAL  18          3HG2      VAL  18   1.930  12.871   2.190
  169    H    ARG  19           H        ARG  19   4.689  12.188   6.216
  170    HA   ARG  19           HA       ARG  19   7.081  13.425   5.675
  171   1HB   ARG  19          1HB       ARG  19   7.118  14.261   7.885
  172   2HB   ARG  19          2HB       ARG  19   5.465  14.302   7.231
  173   1HG   ARG  19          1HG       ARG  19   4.908  12.242   8.619
  174   2HG   ARG  19          2HG       ARG  19   6.575  12.314   9.300
  175   1HD   ARG  19          1HD       ARG  19   6.111  14.666  10.102
  176   2HD   ARG  19          2HD       ARG  19   4.393  14.491   9.546
  177    HE   ARG  19           HE       ARG  19   4.962  12.224  11.208
  178   1HH1  ARG  19          1HH1      ARG  19   4.446  12.206  13.519
  179   2HH1  ARG  19          2HH1      ARG  19   4.124  13.757  14.258
  180   1HH2  ARG  19          1HH2      ARG  19   4.787  15.824  11.621
  181   2HH2  ARG  19          2HH2      ARG  19   4.201  15.614  13.259
  182    H    ASN  20           H        ASN  20   6.680  10.257   7.098
  183    HA   ASN  20           HA       ASN  20   9.616  10.094   6.944
  184   1HB   ASN  20          1HB       ASN  20   8.491   9.611   9.194
  185   2HB   ASN  20          2HB       ASN  20   7.797   8.137   8.433
  186   1HD2  ASN  20          2HD2      ASN  20   8.993   6.669   9.736
  187   2HD2  ASN  20          1HD2      ASN  20  10.732   6.533   9.645
  188    H    GLY  21           H        GLY  21   6.592   8.895   5.559
  189   1HA   GLY  21          1HA       GLY  21   8.296   7.688   3.505
  190   2HA   GLY  21          2HA       GLY  21   6.628   8.306   3.392
  191    H    TYR  22           H        TYR  22   7.876   5.994   5.769
  192    HA   TYR  22           HA       TYR  22   6.921   3.735   4.348
  193   1HB   TYR  22          1HB       TYR  22   7.785   3.953   7.284
  194   2HB   TYR  22          2HB       TYR  22   7.652   2.441   6.314
  195    HD1  TYR  22           HD1      TYR  22   9.667   5.248   7.214
  196    HD2  TYR  22           HD2      TYR  22   9.221   2.098   4.394
  197    HE1  TYR  22           HE1      TYR  22  12.048   5.423   6.643
  198    HE2  TYR  22           HE2      TYR  22  11.589   2.261   3.834
  199    HH   TYR  22           HH       TYR  22  13.746   4.470   5.573
  200    H    GLY  23           H        GLY  23   4.827   3.343   4.067
  201   1HA   GLY  23          1HA       GLY  23   2.593   3.842   4.483
  202   2HA   GLY  23          2HA       GLY  23   2.943   3.955   6.244
  203    H    PHE  24           H        PHE  24   0.897   2.468   6.065
  204    HA   PHE  24           HA       PHE  24   1.569  -0.110   5.072
  205   1HB   PHE  24          1HB       PHE  24   1.041  -1.454   7.032
  206   2HB   PHE  24          2HB       PHE  24   2.476  -0.426   7.283
  207    HD1  PHE  24           HD1      PHE  24   2.515   1.246   8.941
  208    HD2  PHE  24           HD2      PHE  24  -1.076  -0.875   8.146
  209    HE1  PHE  24           HE1      PHE  24   1.560   2.088  11.036
  210    HE2  PHE  24           HE2      PHE  24  -2.041  -0.028  10.233
  211    HZ   PHE  24           HZ       PHE  24  -0.716   1.444  11.686
  212    H    ILE  25           H        ILE  25  -0.011  -1.473   4.585
  213    HA   ILE  25           HA       ILE  25  -2.659  -0.216   4.393
  214    HB   ILE  25           HB       ILE  25  -1.776  -2.607   2.821
  215   1HG1  ILE  25          1HG1      ILE  25  -1.236   0.375   2.189
  216   2HG1  ILE  25          2HG1      ILE  25   0.016  -0.873   2.457
  217   1HG2  ILE  25          1HG2      ILE  25  -3.748  -0.294   2.314
  218   2HG2  ILE  25          2HG2      ILE  25  -3.427  -1.635   1.171
  219   3HG2  ILE  25          3HG2      ILE  25  -4.186  -1.995   2.748
  220   1HD1  ILE  25          1HD1      ILE  25  -0.660  -2.057   0.387
  221   2HD1  ILE  25          2HD1      ILE  25  -1.901  -0.781   0.042
  222   3HD1  ILE  25          3HD1      ILE  25  -0.171  -0.357   0.071
  223    H    ASN  26           H        ASN  26  -4.509  -1.434   4.900
  224    HA   ASN  26           HA       ASN  26  -4.003  -3.770   6.584
  225   1HB   ASN  26          1HB       ASN  26  -5.400  -1.801   7.388
  226   2HB   ASN  26          2HB       ASN  26  -6.648  -2.280   6.192
  227   1HD2  ASN  26          2HD2      ASN  26  -8.221  -2.802   7.777
  228   2HD2  ASN  26          1HD2      ASN  26  -8.018  -4.070   8.946
  229    H    ARG  27           H        ARG  27  -3.416  -5.200   4.846
  230    HA   ARG  27           HA       ARG  27  -5.141  -5.848   2.767
  231   1HB   ARG  27          1HB       ARG  27  -2.731  -6.262   2.921
  232   2HB   ARG  27          2HB       ARG  27  -2.976  -7.403   4.272
  233   1HG   ARG  27          1HG       ARG  27  -4.602  -8.007   1.855
  234   2HG   ARG  27          2HG       ARG  27  -2.844  -7.936   1.500
  235   1HD   ARG  27          1HD       ARG  27  -2.327  -9.746   3.057
  236   2HD   ARG  27          2HD       ARG  27  -4.010  -9.764   3.714
  237    HE   ARG  27           HE       ARG  27  -4.460 -10.112   1.006
  238   1HH1  ARG  27          1HH1      ARG  27  -4.758 -12.090   0.011
  239   2HH1  ARG  27          2HH1      ARG  27  -3.916 -13.490   0.547
  240   1HH2  ARG  27          1HH2      ARG  27  -2.574 -12.047   3.425
  241   2HH2  ARG  27          2HH2      ARG  27  -2.855 -13.447   2.513
  242    H    ASN  28           H        ASN  28  -7.078  -6.749   2.779
  243    HA   ASN  28           HA       ASN  28  -8.076  -7.509   5.313
  244   1HB   ASN  28          1HB       ASN  28 -10.285  -7.185   4.228
  245   2HB   ASN  28          2HB       ASN  28  -9.159  -5.793   4.111
  246   1HD2  ASN  28          2HD2      ASN  28 -10.844  -5.275   2.391
  247   2HD2  ASN  28          1HD2      ASN  28 -10.570  -5.913   0.794
  248    H    ASP  29           H        ASP  29  -6.482  -9.627   3.862
  249    HA   ASP  29           HA       ASP  29  -8.372 -11.754   3.559
  250   1HB   ASP  29          1HB       ASP  29  -6.146 -11.698   2.456
  251   2HB   ASP  29          2HB       ASP  29  -5.326 -11.778   4.067
  252    H    THR  30           H        THR  30  -6.047 -10.839   6.271
  253    HA   THR  30           HA       THR  30  -8.141 -11.761   8.018
  254    HB   THR  30           HB       THR  30  -6.788 -13.775   7.469
  255    HG1  THR  30           HG1      THR  30  -7.047 -14.450   9.384
  256   1HG2  THR  30          1HG2      THR  30  -4.536 -12.697   7.309
  257   2HG2  THR  30          2HG2      THR  30  -4.584 -12.337   9.087
  258   3HG2  THR  30          3HG2      THR  30  -4.580 -14.039   8.506
  259    H    LYS  31           H        LYS  31  -6.962  -9.382   6.996
  260    HA   LYS  31           HA       LYS  31  -6.327  -7.397   7.569
  261   1HB   LYS  31          1HB       LYS  31  -6.933  -8.283  10.413
  262   2HB   LYS  31          2HB       LYS  31  -6.513  -6.620   9.910
  263   1HG   LYS  31          1HG       LYS  31  -8.800  -6.445   9.968
  264   2HG   LYS  31          2HG       LYS  31  -8.490  -6.721   8.252
  265   1HD   LYS  31          1HD       LYS  31 -10.437  -7.973   8.954
  266   2HD   LYS  31          2HD       LYS  31  -9.164  -9.145   8.550
  267   1HE   LYS  31          1HE       LYS  31 -10.437  -9.838  10.548
  268   2HE   LYS  31          2HE       LYS  31  -8.718  -9.536  10.996
  269   1HZ   LYS  31          1HZ       LYS  31 -10.849  -7.460  11.363
  270   2HZ   LYS  31          2HZ       LYS  31 -10.504  -8.625  12.491
  271   3HZ   LYS  31          3HZ       LYS  31  -9.305  -7.524  12.031
  272    H    GLU  32           H        GLU  32  -4.197  -8.026   6.637
  273    HA   GLU  32           HA       GLU  32  -2.156  -8.332   8.701
  274   1HB   GLU  32          1HB       GLU  32  -2.481  -8.871   5.716
  275   2HB   GLU  32          2HB       GLU  32  -0.863  -8.957   6.545
  276   1HG   GLU  32          1HG       GLU  32  -1.850 -10.741   8.084
  277   2HG   GLU  32          2HG       GLU  32  -3.370 -10.700   7.099
  278    H    ASP  33           H        ASP  33  -0.631  -6.721   9.029
  279    HA   ASP  33           HA       ASP  33  -1.028  -4.277   7.603
  280   1HB   ASP  33          1HB       ASP  33   0.619  -3.324   9.180
  281   2HB   ASP  33          2HB       ASP  33  -0.897  -3.973   9.901
  282    H    VAL  34           H        VAL  34  -0.228  -3.999   5.721
  283    HA   VAL  34           HA       VAL  34   2.248  -5.418   5.039
  284    HB   VAL  34           HB       VAL  34   0.184  -4.095   3.246
  285   1HG1  VAL  34          1HG1      VAL  34   2.538  -4.508   2.290
  286   2HG1  VAL  34          2HG1      VAL  34   2.367  -6.247   2.753
  287   3HG1  VAL  34          3HG1      VAL  34   1.273  -5.530   1.510
  288   1HG2  VAL  34          1HG2      VAL  34   0.454  -7.010   4.272
  289   2HG2  VAL  34          2HG2      VAL  34  -0.972  -5.907   4.442
  290   3HG2  VAL  34          3HG2      VAL  34  -0.501  -6.532   2.823
  291    H    PHE  35           H        PHE  35   4.079  -4.247   5.178
  292    HA   PHE  35           HA       PHE  35   3.855  -1.401   5.299
  293   1HB   PHE  35          1HB       PHE  35   6.050  -3.448   5.843
  294   2HB   PHE  35          2HB       PHE  35   6.474  -1.705   5.675
  295    HD1  PHE  35           HD1      PHE  35   4.276  -4.045   7.562
  296    HD2  PHE  35           HD2      PHE  35   5.958  -0.156   7.313
  297    HE1  PHE  35           HE1      PHE  35   3.390  -3.528   9.773
  298    HE2  PHE  35           HE2      PHE  35   5.105   0.358   9.557
  299    HZ   PHE  35           HZ       PHE  35   3.821  -1.340  10.797
  300    H    VAL  36           H        VAL  36   4.448   0.088   3.935
  301    HA   VAL  36           HA       VAL  36   5.459  -0.794   1.336
  302    HB   VAL  36           HB       VAL  36   3.324   1.334   1.665
  303   1HG1  VAL  36          1HG1      VAL  36   4.341  -0.421  -0.679
  304   2HG1  VAL  36          2HG1      VAL  36   3.003   0.782  -0.755
  305   3HG1  VAL  36          3HG1      VAL  36   4.684   1.334  -0.469
  306   1HG2  VAL  36          1HG2      VAL  36   3.028  -1.707   1.426
  307   2HG2  VAL  36          2HG2      VAL  36   2.240  -0.565   2.570
  308   3HG2  VAL  36          3HG2      VAL  36   1.788  -0.535   0.826
  309    H    HIS  37           H        HIS  37   7.225   0.267   0.749
  310    HA   HIS  37           HA       HIS  37   7.749   2.908   1.903
  311   1HB   HIS  37          1HB       HIS  37   9.964   2.843   1.015
  312   2HB   HIS  37          2HB       HIS  37   9.630   1.341   1.965
  313    HD1  HIS  37           HD1      HIS  37  12.012   1.375   0.136
  314    HD2  HIS  37           HD2      HIS  37   8.228   0.179  -1.192
  315    HE1  HIS  37           HE1      HIS  37  12.337  -0.298  -1.747
  316    H    GLN  38           H        GLN  38   8.519   4.673   0.493
  317    HA   GLN  38           HA       GLN  38   6.569   5.203  -1.364
  318   1HB   GLN  38          1HB       GLN  38   9.283   6.552  -1.000
  319   2HB   GLN  38          2HB       GLN  38   7.883   7.236  -1.889
  320   1HG   GLN  38          1HG       GLN  38   6.524   7.074   0.277
  321   2HG   GLN  38          2HG       GLN  38   8.041   6.666   1.142
  322   1HE2  GLN  38          2HE2      GLN  38   6.261   9.181  -0.601
  323   2HE2  GLN  38          1HE2      GLN  38   7.263  10.517  -0.089
  324    H    THR  39           H        THR  39   9.737   3.815  -1.966
  325    HA   THR  39           HA       THR  39   9.817   4.157  -4.689
  326    HB   THR  39           HB       THR  39  10.822   1.695  -3.219
  327    HG1  THR  39           HG1      THR  39  12.559   2.779  -2.789
  328   1HG2  THR  39          1HG2      THR  39  11.835   3.227  -5.725
  329   2HG2  THR  39          2HG2      THR  39  12.643   1.820  -4.954
  330   3HG2  THR  39          3HG2      THR  39  11.048   1.599  -5.745
  331    H    ALA  40           H        ALA  40   7.940   1.782  -2.826
  332    HA   ALA  40           HA       ALA  40   7.433   0.138  -5.114
  333   1HB   ALA  40          1HB       ALA  40   6.077   0.262  -2.368
  334   2HB   ALA  40          2HB       ALA  40   5.789  -0.993  -3.631
  335   3HB   ALA  40          3HB       ALA  40   7.406  -0.847  -2.882
  336    H    ILE  41           H        ILE  41   6.151   3.129  -4.029
  337    HA   ILE  41           HA       ILE  41   3.549   2.721  -5.204
  338    HB   ILE  41           HB       ILE  41   4.868   5.023  -3.782
  339   1HG1  ILE  41          1HG1      ILE  41   2.794   2.945  -2.879
  340   2HG1  ILE  41          2HG1      ILE  41   4.509   3.004  -2.377
  341   1HG2  ILE  41          1HG2      ILE  41   3.062   5.822  -5.379
  342   2HG2  ILE  41          2HG2      ILE  41   1.925   4.613  -4.676
  343   3HG2  ILE  41          3HG2      ILE  41   2.529   5.981  -3.683
  344   1HD1  ILE  41          1HD1      ILE  41   4.121   5.277  -1.331
  345   2HD1  ILE  41          2HD1      ILE  41   2.360   5.096  -1.687
  346   3HD1  ILE  41          3HD1      ILE  41   3.184   3.940  -0.584
  347    H    LYS  42           H        LYS  42   3.369   2.807  -7.337
  348    HA   LYS  42           HA       LYS  42   4.664   5.040  -8.740
  349   1HB   LYS  42          1HB       LYS  42   4.111   2.177  -9.690
  350   2HB   LYS  42          2HB       LYS  42   4.663   3.528 -10.730
  351   1HG   LYS  42          1HG       LYS  42   6.677   3.753  -9.140
  352   2HG   LYS  42          2HG       LYS  42   6.164   2.220  -8.382
  353   1HD   LYS  42          1HD       LYS  42   7.943   1.829 -10.004
  354   2HD   LYS  42          2HD       LYS  42   6.434   1.018 -10.536
  355   1HE   LYS  42          1HE       LYS  42   6.048   2.674 -12.289
  356   2HE   LYS  42          2HE       LYS  42   7.318   3.775 -11.623
  357   1HZ   LYS  42          1HZ       LYS  42   7.931   1.035 -12.623
  358   2HZ   LYS  42          2HZ       LYS  42   7.983   2.448 -13.577
  359   3HZ   LYS  42          3HZ       LYS  42   8.987   2.310 -12.249
  360    H    LYS  43           H        LYS  43   3.417   6.162 -10.239
  361    HA   LYS  43           HA       LYS  43   0.689   5.245 -10.689
  362   1HB   LYS  43          1HB       LYS  43   0.423   6.568  -8.667
  363   2HB   LYS  43          2HB       LYS  43   1.466   7.857  -9.312
  364   1HG   LYS  43          1HG       LYS  43  -0.191   8.416 -11.054
  365   2HG   LYS  43          2HG       LYS  43  -1.283   7.117 -10.505
  366   1HD   LYS  43          1HD       LYS  43  -0.332   9.415  -8.682
  367   2HD   LYS  43          2HD       LYS  43  -1.737   9.556  -9.788
  368   1HE   LYS  43          1HE       LYS  43  -2.888   7.649  -8.663
  369   2HE   LYS  43          2HE       LYS  43  -1.500   7.477  -7.518
  370   1HZ   LYS  43          1HZ       LYS  43  -3.172   9.967  -7.790
  371   2HZ   LYS  43          2HZ       LYS  43  -3.337   8.756  -6.635
  372   3HZ   LYS  43          3HZ       LYS  43  -1.927   9.654  -6.682
  373    H    ASN  44           H        ASN  44   0.168   5.489 -12.760
  374    HA   ASN  44           HA       ASN  44   1.793   7.261 -14.373
  375   1HB   ASN  44          1HB       ASN  44   0.850   6.196 -16.324
  376   2HB   ASN  44          2HB       ASN  44   1.586   5.026 -15.197
  377   1HD2  ASN  44          2HD2      ASN  44  -1.199   5.670 -17.056
  378   2HD2  ASN  44          1HD2      ASN  44  -2.218   4.453 -16.324
  379    H    ASN  45           H        ASN  45  -1.710   6.988 -13.479
  380    HA   ASN  45           HA       ASN  45  -2.108   9.503 -14.894
  381   1HB   ASN  45          1HB       ASN  45  -4.077   7.511 -13.711
  382   2HB   ASN  45          2HB       ASN  45  -4.537   9.071 -14.497
  383   1HD2  ASN  45          2HD2      ASN  45  -4.973   6.102 -15.269
  384   2HD2  ASN  45          1HD2      ASN  45  -4.380   6.020 -16.894
  385    HA   PRO  46           HA       PRO  46  -2.706  11.258 -10.739
  386   1HB   PRO  46          1HB       PRO  46  -2.316  13.907 -11.436
  387   2HB   PRO  46          2HB       PRO  46  -0.959  12.783 -10.969
  388   1HG   PRO  46          1HG       PRO  46  -1.921  13.518 -13.798
  389   2HG   PRO  46          2HG       PRO  46  -0.219  13.483 -13.160
  390   1HD   PRO  46          1HD       PRO  46  -1.261  11.352 -14.562
  391   2HD   PRO  46          2HD       PRO  46  -0.144  11.077 -13.182
  392    H    ARG  47           H        ARG  47  -4.682  11.694 -10.086
  393    HA   ARG  47           HA       ARG  47  -6.689  11.730 -12.180
  394   1HB   ARG  47          1HB       ARG  47  -6.181   9.857 -10.480
  395   2HB   ARG  47          2HB       ARG  47  -6.918  10.915  -9.236
  396   1HG   ARG  47          1HG       ARG  47  -9.086  10.833 -10.520
  397   2HG   ARG  47          2HG       ARG  47  -8.301   9.819 -11.781
  398   1HD   ARG  47          1HD       ARG  47  -7.841   8.049  -9.992
  399   2HD   ARG  47          2HD       ARG  47  -8.687   9.119  -8.801
  400    HE   ARG  47           HE       ARG  47 -10.184   8.405 -11.307
  401   1HH1  ARG  47          1HH1      ARG  47  -9.448   7.226  -7.972
  402   2HH1  ARG  47          2HH1      ARG  47 -10.810   6.122  -8.084
  403   1HH2  ARG  47          1HH2      ARG  47 -12.211   7.245 -10.969
  404   2HH2  ARG  47          2HH2      ARG  47 -12.226   6.128  -9.630
  405    H    LYS  48           H        LYS  48  -8.788  12.933 -11.742
  406    HA   LYS  48           HA       LYS  48  -7.958  15.533 -11.256
  407   1HB   LYS  48          1HB       LYS  48  -9.512  14.859 -13.022
  408   2HB   LYS  48          2HB       LYS  48 -10.705  14.370 -11.791
  409   1HG   LYS  48          1HG       LYS  48 -11.317  16.518 -12.773
  410   2HG   LYS  48          2HG       LYS  48 -11.019  16.671 -11.027
  411   1HD   LYS  48          1HD       LYS  48 -10.158  18.587 -12.223
  412   2HD   LYS  48          2HD       LYS  48  -8.805  17.735 -11.447
  413   1HE   LYS  48          1HE       LYS  48  -8.035  16.808 -13.598
  414   2HE   LYS  48          2HE       LYS  48  -9.541  17.386 -14.426
  415   1HZ   LYS  48          1HZ       LYS  48  -7.506  19.117 -13.113
  416   2HZ   LYS  48          2HZ       LYS  48  -7.632  18.872 -14.761
  417   3HZ   LYS  48          3HZ       LYS  48  -8.910  19.631 -13.944
  418    H    TYR  49           H        TYR  49  -7.823  16.708  -9.600
  419    HA   TYR  49           HA       TYR  49  -8.246  17.863  -7.950
  420   1HB   TYR  49          1HB       TYR  49 -10.680  17.746  -8.790
  421   2HB   TYR  49          2HB       TYR  49 -10.991  16.643  -7.422
  422    HD1  TYR  49           HD1      TYR  49 -11.655  17.673  -5.451
  423    HD2  TYR  49           HD2      TYR  49  -9.362  19.919  -8.234
  424    HE1  TYR  49           HE1      TYR  49 -11.798  19.633  -3.986
  425    HE2  TYR  49           HE2      TYR  49  -9.485  21.871  -6.774
  426    HH   TYR  49           HH       TYR  49  -9.835  22.473  -4.601
  427    H    LEU  50           H        LEU  50  -8.652  17.879  -5.468
  428    HA   LEU  50           HA       LEU  50  -7.152  15.594  -4.503
  429   1HB   LEU  50          1HB       LEU  50  -6.925  16.859  -2.407
  430   2HB   LEU  50          2HB       LEU  50  -6.194  17.650  -3.823
  431    HG   LEU  50           HG       LEU  50  -9.026  18.491  -3.185
  432   1HD1  LEU  50          1HD1      LEU  50  -8.049  18.262  -0.912
  433   2HD1  LEU  50          2HD1      LEU  50  -6.630  19.263  -1.412
  434   3HD1  LEU  50          3HD1      LEU  50  -8.282  19.996  -1.367
  435   1HD2  LEU  50          1HD2      LEU  50  -7.691  19.588  -5.048
  436   2HD2  LEU  50          2HD2      LEU  50  -8.094  20.738  -3.721
  437   3HD2  LEU  50          3HD2      LEU  50  -6.434  20.053  -3.838
  438    H    ARG  51           H        ARG  51  -7.787  14.210  -3.036
  439    HA   ARG  51           HA       ARG  51  -9.047  12.881  -1.924
  440   1HB   ARG  51          1HB       ARG  51 -11.053  15.107  -1.519
  441   2HB   ARG  51          2HB       ARG  51 -11.115  13.492  -0.742
  442   1HG   ARG  51          1HG       ARG  51  -8.842  13.882   0.231
  443   2HG   ARG  51          2HG       ARG  51  -8.846  15.552  -0.408
  444   1HD   ARG  51          1HD       ARG  51 -11.018  14.453   1.505
  445   2HD   ARG  51          2HD       ARG  51  -9.501  15.252   2.057
  446    HE   ARG  51           HE       ARG  51 -10.196  17.333   1.112
  447   1HH1  ARG  51          1HH1      ARG  51 -12.908  14.931   1.087
  448   2HH1  ARG  51          2HH1      ARG  51 -14.032  16.229   0.750
  449   1HH2  ARG  51          1HH2      ARG  51 -11.848  18.827   0.554
  450   2HH2  ARG  51          2HH2      ARG  51 -13.499  18.249   0.479
  451    H    SER  52           H        SER  52  -9.726  11.152  -2.835
  452    HA   SER  52           HA       SER  52 -11.475  11.311  -5.121
  453   1HB   SER  52          1HB       SER  52  -9.495   9.743  -4.976
  454   2HB   SER  52          2HB       SER  52 -10.393   8.794  -3.770
  455    HG   SER  52           HG       SER  52 -10.806   7.920  -5.705
  456    H    VAL  53           H        VAL  53 -11.697   9.153  -2.237
  457    HA   VAL  53           HA       VAL  53 -14.520   9.944  -1.986
  458    HB   VAL  53           HB       VAL  53 -13.102   7.416  -1.077
  459   1HG1  VAL  53          1HG1      VAL  53 -16.049   8.350  -0.855
  460   2HG1  VAL  53          2HG1      VAL  53 -15.434   6.702  -0.475
  461   3HG1  VAL  53          3HG1      VAL  53 -14.916   8.091   0.535
  462   1HG2  VAL  53          1HG2      VAL  53 -15.221   7.941  -3.272
  463   2HG2  VAL  53          2HG2      VAL  53 -13.502   7.456  -3.552
  464   3HG2  VAL  53          3HG2      VAL  53 -14.634   6.330  -2.730
  465    H    GLY  54           H        GLY  54 -11.605   8.982  -0.208
  466   1HA   GLY  54          1HA       GLY  54 -12.433  10.073   2.272
  467   2HA   GLY  54          2HA       GLY  54 -11.243  11.114   1.390
  468    H    ASP  55           H        ASP  55 -11.358   8.916   3.786
  469    HA   ASP  55           HA       ASP  55  -8.988   7.438   2.861
  470   1HB   ASP  55          1HB       ASP  55  -9.874   7.866   5.766
  471   2HB   ASP  55          2HB       ASP  55  -8.341   7.115   5.176
  472    H    GLY  56           H        GLY  56  -8.950   5.108   3.614
  473   1HA   GLY  56          1HA       GLY  56 -11.632   4.015   3.974
  474   2HA   GLY  56          2HA       GLY  56 -10.043   3.225   4.171
  475    H    GLU  57           H        GLU  57  -9.421   4.569   1.426
  476    HA   GLU  57           HA       GLU  57 -11.101   3.106  -0.375
  477   1HB   GLU  57          1HB       GLU  57 -10.043   4.278  -2.131
  478   2HB   GLU  57          2HB       GLU  57 -10.335   5.424  -0.810
  479   1HG   GLU  57          1HG       GLU  57  -7.958   5.269  -0.071
  480   2HG   GLU  57          2HG       GLU  57  -7.618   4.033  -1.345
  481    H    THR  58           H        THR  58 -10.172   1.799  -2.194
  482    HA   THR  58           HA       THR  58  -8.264  -0.104  -1.202
  483    HB   THR  58           HB       THR  58  -9.020  -1.129  -3.552
  484    HG1  THR  58           HG1      THR  58 -10.995  -0.607  -4.043
  485   1HG2  THR  58          1HG2      THR  58 -10.657  -1.117  -0.930
  486   2HG2  THR  58          2HG2      THR  58 -10.804  -2.339  -2.255
  487   3HG2  THR  58          3HG2      THR  58  -9.273  -2.204  -1.314
  488    H    VAL  59           H        VAL  59  -6.474  -0.783  -2.294
  489    HA   VAL  59           HA       VAL  59  -5.688   0.429  -4.766
  490    HB   VAL  59           HB       VAL  59  -4.834   1.905  -2.963
  491   1HG1  VAL  59          1HG1      VAL  59  -4.490   0.103  -1.204
  492   2HG1  VAL  59          2HG1      VAL  59  -3.110  -0.531  -2.175
  493   3HG1  VAL  59          3HG1      VAL  59  -3.032   1.126  -1.483
  494   1HG2  VAL  59          1HG2      VAL  59  -3.718   1.701  -5.191
  495   2HG2  VAL  59          2HG2      VAL  59  -2.554   2.045  -3.873
  496   3HG2  VAL  59          3HG2      VAL  59  -2.664   0.385  -4.545
  497    H    GLU  60           H        GLU  60  -4.031  -1.044  -5.810
  498    HA   GLU  60           HA       GLU  60  -4.185  -3.713  -4.610
  499   1HB   GLU  60          1HB       GLU  60  -3.319  -3.013  -7.444
  500   2HB   GLU  60          2HB       GLU  60  -3.754  -4.622  -6.822
  501   1HG   GLU  60          1HG       GLU  60  -6.059  -4.248  -6.916
  502   2HG   GLU  60          2HG       GLU  60  -5.908  -2.453  -6.876
  503    H    PHE  61           H        PHE  61  -2.472  -4.974  -4.439
  504    HA   PHE  61           HA       PHE  61   0.148  -4.053  -5.161
  505   1HB   PHE  61          1HB       PHE  61   1.000  -4.087  -2.740
  506   2HB   PHE  61          2HB       PHE  61  -0.047  -2.703  -3.181
  507    HD1  PHE  61           HD1      PHE  61  -2.372  -2.589  -2.448
  508    HD2  PHE  61           HD2      PHE  61   0.216  -5.673  -1.129
  509    HE1  PHE  61           HE1      PHE  61  -3.926  -3.090  -0.666
  510    HE2  PHE  61           HE2      PHE  61  -1.311  -6.124   0.769
  511    HZ   PHE  61           HZ       PHE  61  -3.401  -4.858   0.978
  512    H    ASP  62           H        ASP  62   1.852  -5.663  -4.379
  513    HA   ASP  62           HA       ASP  62   0.692  -8.364  -4.302
  514   1HB   ASP  62          1HB       ASP  62   3.543  -7.309  -4.701
  515   2HB   ASP  62          2HB       ASP  62   3.080  -9.054  -4.701
  516    H    VAL  63           H        VAL  63   1.213  -9.771  -2.423
  517    HA   VAL  63           HA       VAL  63   2.199  -8.227  -0.116
  518    HB   VAL  63           HB       VAL  63   0.615 -10.795   0.023
  519   1HG1  VAL  63          1HG1      VAL  63   1.450  -8.641   2.107
  520   2HG1  VAL  63          2HG1      VAL  63   0.442 -10.083   2.445
  521   3HG1  VAL  63          3HG1      VAL  63   2.168 -10.290   2.012
  522   1HG2  VAL  63          1HG2      VAL  63  -0.838  -8.870  -0.819
  523   2HG2  VAL  63          2HG2      VAL  63  -1.240  -9.425   0.849
  524   3HG2  VAL  63          3HG2      VAL  63  -0.283  -7.914   0.621
  525    H    VAL  64           H        VAL  64   4.430  -8.546  -0.253
  526    HA   VAL  64           HA       VAL  64   5.313 -11.300  -0.731
  527    HB   VAL  64           HB       VAL  64   7.159 -10.013  -2.040
  528   1HG1  VAL  64          1HG1      VAL  64   4.280 -10.521  -3.061
  529   2HG1  VAL  64          2HG1      VAL  64   5.688 -10.172  -4.113
  530   3HG1  VAL  64          3HG1      VAL  64   5.676 -11.658  -3.119
  531   1HG2  VAL  64          1HG2      VAL  64   6.214  -7.691  -1.386
  532   2HG2  VAL  64          2HG2      VAL  64   6.383  -8.006  -3.157
  533   3HG2  VAL  64          3HG2      VAL  64   4.768  -8.086  -2.403
  534    H    GLU  65           H        GLU  65   6.099 -11.926   1.207
  535    HA   GLU  65           HA       GLU  65   8.440 -10.640   2.099
  536   1HB   GLU  65          1HB       GLU  65   6.557  -9.229   3.051
  537   2HB   GLU  65          2HB       GLU  65   6.073 -10.600   4.045
  538   1HG   GLU  65          1HG       GLU  65   7.705  -8.524   4.851
  539   2HG   GLU  65          2HG       GLU  65   7.739 -10.131   5.597
  540    H    GLY  66           H        GLY  66   7.035 -11.867   4.776
  541   1HA   GLY  66          1HA       GLY  66   8.936 -13.274   5.615
  542   2HA   GLY  66          2HA       GLY  66   8.210 -14.541   4.572
  543    H    GLU  67           H        GLU  67   8.507 -14.441   7.544
  544    HA   GLU  67           HA       GLU  67   5.719 -14.923   8.243
  545   1HB   GLU  67          1HB       GLU  67   8.432 -15.536   9.488
  546   2HB   GLU  67          2HB       GLU  67   6.913 -15.747  10.403
  547   1HG   GLU  67          1HG       GLU  67   6.037 -17.324   8.665
  548   2HG   GLU  67          2HG       GLU  67   7.594 -17.175   7.765
  549    H    LYS  68           H        LYS  68   8.339 -12.665   9.087
  550    HA   LYS  68           HA       LYS  68   7.361 -12.085  11.615
  551   1HB   LYS  68          1HB       LYS  68   9.122 -10.403   9.776
  552   2HB   LYS  68          2HB       LYS  68   8.970 -10.174  11.537
  553   1HG   LYS  68          1HG       LYS  68  10.137 -12.649  10.111
  554   2HG   LYS  68          2HG       LYS  68  11.071 -11.328  10.844
  555   1HD   LYS  68          1HD       LYS  68   9.226 -13.272  12.344
  556   2HD   LYS  68          2HD       LYS  68  11.009 -13.350  12.256
  557   1HE   LYS  68          1HE       LYS  68  11.229 -11.182  13.470
  558   2HE   LYS  68          2HE       LYS  68   9.427 -11.029  13.552
  559   1HZ   LYS  68          1HZ       LYS  68   9.502 -13.290  14.636
  560   2HZ   LYS  68          2HZ       LYS  68  11.174 -12.983  14.905
  561   3HZ   LYS  68          3HZ       LYS  68   9.960 -11.948  15.521
  562    H    GLY  69           H        GLY  69   6.762 -10.527   8.531
  563   1HA   GLY  69          1HA       GLY  69   5.570  -8.199   9.118
  564   2HA   GLY  69          2HA       GLY  69   4.303  -9.448   9.448
  565    H    ALA  70           H        ALA  70   4.115  -7.474   7.332
  566    HA   ALA  70           HA       ALA  70   4.773  -9.057   4.950
  567   1HB   ALA  70          1HB       ALA  70   2.542  -8.370   3.997
  568   2HB   ALA  70          2HB       ALA  70   2.374  -9.390   5.474
  569   3HB   ALA  70          3HB       ALA  70   2.139  -7.614   5.592
  570    H    GLU  71           H        GLU  71   4.832  -7.852   2.972
  571    HA   GLU  71           HA       GLU  71   5.447  -5.035   3.153
  572   1HB   GLU  71          1HB       GLU  71   7.615  -5.909   3.526
  573   2HB   GLU  71          2HB       GLU  71   7.332  -7.329   2.488
  574   1HG   GLU  71          1HG       GLU  71   7.594  -6.115   0.470
  575   2HG   GLU  71          2HG       GLU  71   7.560  -4.511   1.293
  576    H    ALA  72           H        ALA  72   5.738  -4.276   0.732
  577    HA   ALA  72           HA       ALA  72   3.792  -5.708  -0.942
  578   1HB   ALA  72          1HB       ALA  72   2.560  -3.925   0.337
  579   2HB   ALA  72          2HB       ALA  72   2.731  -3.461  -1.382
  580   3HB   ALA  72          3HB       ALA  72   3.804  -2.722  -0.143
  581    H    ALA  73           H        ALA  73   3.837  -5.045  -3.103
  582    HA   ALA  73           HA       ALA  73   5.967  -3.373  -4.101
  583   1HB   ALA  73          1HB       ALA  73   7.062  -5.664  -3.923
  584   2HB   ALA  73          2HB       ALA  73   5.691  -6.356  -4.863
  585   3HB   ALA  73          3HB       ALA  73   6.826  -5.180  -5.635
  586    H    ASN  74           H        ASN  74   5.616  -3.054  -6.431
  587    HA   ASN  74           HA       ASN  74   4.378  -2.441  -8.101
  588   1HB   ASN  74          1HB       ASN  74   3.031  -5.157  -7.729
  589   2HB   ASN  74          2HB       ASN  74   3.137  -4.216  -9.267
  590   1HD2  ASN  74          2HD2      ASN  74   4.440  -6.868  -7.807
  591   2HD2  ASN  74          1HD2      ASN  74   6.070  -6.777  -8.411
  592    H    VAL  75           H        VAL  75   3.487  -0.901  -6.273
  593    HA   VAL  75           HA       VAL  75   0.737  -1.455  -5.659
  594    HB   VAL  75           HB       VAL  75   2.420   0.941  -4.915
  595   1HG1  VAL  75          1HG1      VAL  75  -0.153  -0.335  -3.744
  596   2HG1  VAL  75          2HG1      VAL  75   0.762   1.031  -3.008
  597   3HG1  VAL  75          3HG1      VAL  75  -0.060   1.258  -4.592
  598   1HG2  VAL  75          1HG2      VAL  75   2.048  -1.800  -3.536
  599   2HG2  VAL  75          2HG2      VAL  75   3.593  -1.087  -4.132
  600   3HG2  VAL  75          3HG2      VAL  75   2.741  -0.332  -2.746
  601    H    THR  76           H        THR  76  -1.012  -0.638  -6.627
  602    HA   THR  76           HA       THR  76  -0.487   0.899  -9.013
  603    HB   THR  76           HB       THR  76  -2.618   0.201  -9.832
  604    HG1  THR  76           HG1      THR  76  -3.726  -1.348  -8.543
  605   1HG2  THR  76          1HG2      THR  76  -0.552  -1.241  -9.958
  606   2HG2  THR  76          2HG2      THR  76  -1.074  -2.101  -8.465
  607   3HG2  THR  76          3HG2      THR  76  -2.098  -2.170  -9.958
  608    H    GLY  77           H        GLY  77  -2.600   2.064  -9.755
  609   1HA   GLY  77          1HA       GLY  77  -2.864   4.521  -8.883
  610   2HA   GLY  77          2HA       GLY  77  -3.827   3.643  -7.646
  611    HA   PRO  78           HA       PRO  78  -6.189   2.496 -11.366
  612   1HB   PRO  78          1HB       PRO  78  -8.312   1.151 -10.261
  613   2HB   PRO  78          2HB       PRO  78  -6.660   0.427 -10.326
  614   1HG   PRO  78          1HG       PRO  78  -7.917   1.927  -7.949
  615   2HG   PRO  78          2HG       PRO  78  -7.164   0.272  -7.953
  616   1HD   PRO  78          1HD       PRO  78  -5.729   2.575  -7.288
  617   2HD   PRO  78          2HD       PRO  78  -4.956   1.191  -8.192
  618    H    GLY  79           H        GLY  79  -8.277   3.089 -12.235
  619   1HA   GLY  79          1HA       GLY  79  -9.090   5.673 -11.228
  620   2HA   GLY  79          2HA       GLY  79 -10.326   4.368 -11.329

  No H/Q in entry =         620
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  11.194 -14.229   0.030
    2    H2   MET   1           H2       MET   1  12.647 -15.071  -0.221
    3    H3   MET   1           H3       MET   1  12.096 -13.912  -1.317
    4    HA   MET   1           HA       MET   1  10.199 -15.135  -1.885
    5   1HB   MET   1          1HB       MET   1  11.188 -16.618  -3.378
    6   2HB   MET   1          2HB       MET   1  12.428 -15.383  -3.066
    7   1HG   MET   1          1HG       MET   1  13.440 -17.029  -1.331
    8   2HG   MET   1          2HG       MET   1  12.314 -18.252  -1.973
    9   1HE   MET   1          1HE       MET   1  12.214 -19.086  -4.398
   10   2HE   MET   1          2HE       MET   1  12.291 -17.460  -5.168
   11   3HE   MET   1          3HE       MET   1  13.433 -18.741  -5.671
   12    H    LYS   2           H        LYS   2  11.313 -16.586   1.081
   13    HA   LYS   2           HA       LYS   2  10.455 -19.172   0.416
   14   1HB   LYS   2          1HB       LYS   2  11.212 -17.813   3.019
   15   2HB   LYS   2          2HB       LYS   2  10.699 -19.530   2.941
   16   1HG   LYS   2          1HG       LYS   2  12.974 -18.540   1.194
   17   2HG   LYS   2          2HG       LYS   2  13.252 -19.002   2.894
   18   1HD   LYS   2          1HD       LYS   2  12.507 -21.272   2.564
   19   2HD   LYS   2          2HD       LYS   2  11.813 -20.887   0.964
   20   1HE   LYS   2          1HE       LYS   2  13.875 -22.172   0.660
   21   2HE   LYS   2          2HE       LYS   2  14.024 -20.514  -0.026
   22   1HZ   LYS   2          1HZ       LYS   2  15.238 -19.863   1.957
   23   2HZ   LYS   2          2HZ       LYS   2  15.166 -21.430   2.604
   24   3HZ   LYS   2          3HZ       LYS   2  16.000 -21.106   1.186
   25    H    LYS   3           H        LYS   3   8.861 -16.704   2.554
   26    HA   LYS   3           HA       LYS   3   6.533 -18.391   2.566
   27   1HB   LYS   3          1HB       LYS   3   6.982 -15.621   3.728
   28   2HB   LYS   3          2HB       LYS   3   5.454 -16.578   3.831
   29   1HG   LYS   3          1HG       LYS   3   6.824 -18.459   4.919
   30   2HG   LYS   3          2HG       LYS   3   8.219 -17.358   4.929
   31   1HD   LYS   3          1HD       LYS   3   7.304 -17.186   7.102
   32   2HD   LYS   3          2HD       LYS   3   6.771 -15.697   6.257
   33   1HE   LYS   3          1HE       LYS   3   4.504 -16.863   5.864
   34   2HE   LYS   3          2HE       LYS   3   5.119 -18.267   6.831
   35   1HZ   LYS   3          1HZ       LYS   3   5.462 -16.743   8.689
   36   2HZ   LYS   3          2HZ       LYS   3   4.847 -15.456   7.732
   37   3HZ   LYS   3          3HZ       LYS   3   3.869 -16.775   8.213
   38    H    VAL   4           H        VAL   4   6.169 -14.969   1.920
   39    HA   VAL   4           HA       VAL   4   5.010 -13.869   0.454
   40    HB   VAL   4           HB       VAL   4   6.040 -15.922  -1.485
   41   1HG1  VAL   4          1HG1      VAL   4   4.620 -13.205  -1.904
   42   2HG1  VAL   4          2HG1      VAL   4   5.667 -14.021  -3.135
   43   3HG1  VAL   4          3HG1      VAL   4   4.170 -14.820  -2.571
   44   1HG2  VAL   4          1HG2      VAL   4   7.052 -13.140  -0.545
   45   2HG2  VAL   4          2HG2      VAL   4   7.836 -14.735  -0.242
   46   3HG2  VAL   4          3HG2      VAL   4   7.718 -14.110  -1.913
   47    H    ILE   5           H        ILE   5   2.769 -13.508   0.386
   48    HA   ILE   5           HA       ILE   5   1.255 -15.980   0.179
   49    HB   ILE   5           HB       ILE   5   0.308 -13.190   0.843
   50   1HG1  ILE   5          1HG1      ILE   5  -0.037 -14.651   3.074
   51   2HG1  ILE   5          2HG1      ILE   5   1.365 -15.542   2.444
   52   1HG2  ILE   5          1HG2      ILE   5  -1.001 -15.991   0.834
   53   2HG2  ILE   5          2HG2      ILE   5  -1.701 -14.523   1.592
   54   3HG2  ILE   5          3HG2      ILE   5  -1.482 -14.585  -0.181
   55   1HD1  ILE   5          1HD1      ILE   5   2.494 -13.104   2.252
   56   2HD1  ILE   5          2HD1      ILE   5   1.160 -12.637   3.373
   57   3HD1  ILE   5          3HD1      ILE   5   2.347 -13.909   3.853
   58    H    ALA   6           H        ALA   6   1.331 -12.729  -1.416
   59    HA   ALA   6           HA       ALA   6   0.491 -14.000  -3.874
   60   1HB   ALA   6          1HB       ALA   6  -1.788 -12.792  -3.855
   61   2HB   ALA   6          2HB       ALA   6  -1.648 -14.084  -2.605
   62   3HB   ALA   6          3HB       ALA   6  -1.439 -12.362  -2.138
   63    H    THR   7           H        THR   7   0.188 -12.691  -5.657
   64    HA   THR   7           HA       THR   7   0.887  -9.872  -5.447
   65    HB   THR   7           HB       THR   7   1.171  -9.927  -7.883
   66    HG1  THR   7           HG1      THR   7   0.917 -11.719  -8.966
   67   1HG2  THR   7          1HG2      THR   7   2.806 -12.048  -6.340
   68   2HG2  THR   7          2HG2      THR   7   3.285 -11.232  -7.885
   69   3HG2  THR   7          3HG2      THR   7   3.123 -10.269  -6.379
   70    H    LYS   8           H        LYS   8  -0.361  -8.363  -6.678
   71    HA   LYS   8           HA       LYS   8  -2.218  -7.327  -7.193
   72   1HB   LYS   8          1HB       LYS   8  -3.010  -9.980  -8.459
   73   2HB   LYS   8          2HB       LYS   8  -3.834  -8.419  -8.747
   74   1HG   LYS   8          1HG       LYS   8  -1.860  -7.464  -9.789
   75   2HG   LYS   8          2HG       LYS   8  -0.859  -8.877  -9.323
   76   1HD   LYS   8          1HD       LYS   8  -2.179 -10.383 -10.750
   77   2HD   LYS   8          2HD       LYS   8  -3.289  -9.049 -11.190
   78   1HE   LYS   8          1HE       LYS   8  -1.606  -9.606 -12.988
   79   2HE   LYS   8          2HE       LYS   8  -1.562  -7.877 -12.463
   80   1HZ   LYS   8          1HZ       LYS   8   0.275  -9.953 -11.372
   81   2HZ   LYS   8          2HZ       LYS   8   0.609  -9.042 -12.733
   82   3HZ   LYS   8          3HZ       LYS   8   0.382  -8.277 -11.226
   83    H    VAL   9           H        VAL   9  -2.358  -7.407  -4.795
   84    HA   VAL   9           HA       VAL   9  -4.747  -8.753  -3.787
   85    HB   VAL   9           HB       VAL   9  -2.299  -7.723  -2.280
   86   1HG1  VAL   9          1HG1      VAL   9  -4.574  -9.735  -1.596
   87   2HG1  VAL   9          2HG1      VAL   9  -3.133  -9.375  -0.571
   88   3HG1  VAL   9          3HG1      VAL   9  -4.351  -8.085  -0.878
   89   1HG2  VAL   9          1HG2      VAL   9  -2.818 -10.542  -3.434
   90   2HG2  VAL   9          2HG2      VAL   9  -1.420  -9.457  -3.787
   91   3HG2  VAL   9          3HG2      VAL   9  -1.621 -10.166  -2.152
   92    H    LEU  10           H        LEU  10  -6.065  -7.426  -2.280
   93    HA   LEU  10           HA       LEU  10  -5.350  -4.594  -2.319
   94   1HB   LEU  10          1HB       LEU  10  -8.082  -5.810  -2.944
   95   2HB   LEU  10          2HB       LEU  10  -7.809  -4.083  -2.559
   96    HG   LEU  10           HG       LEU  10  -5.914  -4.354  -4.473
   97   1HD1  LEU  10          1HD1      LEU  10  -6.436  -6.724  -5.065
   98   2HD1  LEU  10          2HD1      LEU  10  -8.152  -6.277  -5.401
   99   3HD1  LEU  10          3HD1      LEU  10  -6.811  -5.611  -6.414
  100   1HD2  LEU  10          1HD2      LEU  10  -8.895  -3.699  -4.872
  101   2HD2  LEU  10          2HD2      LEU  10  -7.543  -2.594  -4.362
  102   3HD2  LEU  10          3HD2      LEU  10  -7.564  -3.286  -6.015
  103    H    GLY  11           H        GLY  11  -6.559  -3.234  -0.840
  104   1HA   GLY  11          1HA       GLY  11  -5.836  -3.813   1.686
  105   2HA   GLY  11          2HA       GLY  11  -7.581  -4.364   1.517
  106    H    THR  12           H        THR  12  -7.098  -2.500   3.369
  107    HA   THR  12           HA       THR  12  -8.329  -0.148   2.045
  108    HB   THR  12           HB       THR  12  -8.695  -1.228   4.878
  109    HG1  THR  12           HG1      THR  12 -10.569  -1.853   4.154
  110   1HG2  THR  12          1HG2      THR  12 -10.093   1.042   3.278
  111   2HG2  THR  12          2HG2      THR  12 -10.601   0.435   4.899
  112   3HG2  THR  12          3HG2      THR  12  -9.045   1.291   4.722
  113    H    VAL  13           H        VAL  13  -7.307   1.760   2.246
  114    HA   VAL  13           HA       VAL  13  -4.905   1.868   3.789
  115    HB   VAL  13           HB       VAL  13  -5.085   2.494   1.422
  116   1HG1  VAL  13          1HG1      VAL  13  -7.346   3.611   1.523
  117   2HG1  VAL  13          2HG1      VAL  13  -6.636   4.947   2.496
  118   3HG1  VAL  13          3HG1      VAL  13  -6.080   4.674   0.813
  119   1HG2  VAL  13          1HG2      VAL  13  -3.217   3.355   2.919
  120   2HG2  VAL  13          2HG2      VAL  13  -3.647   4.485   1.582
  121   3HG2  VAL  13          3HG2      VAL  13  -4.216   4.823   3.244
  122    H    LYS  14           H        LYS  14  -4.358   3.324   5.346
  123    HA   LYS  14           HA       LYS  14  -6.504   5.028   6.426
  124   1HB   LYS  14          1HB       LYS  14  -4.093   3.622   7.627
  125   2HB   LYS  14          2HB       LYS  14  -4.538   5.226   8.325
  126   1HG   LYS  14          1HG       LYS  14  -6.586   2.978   8.173
  127   2HG   LYS  14          2HG       LYS  14  -5.442   3.230   9.529
  128   1HD   LYS  14          1HD       LYS  14  -6.205   5.564   9.820
  129   2HD   LYS  14          2HD       LYS  14  -7.345   5.381   8.449
  130   1HE   LYS  14          1HE       LYS  14  -8.624   3.638   9.713
  131   2HE   LYS  14          2HE       LYS  14  -7.512   3.832  11.131
  132   1HZ   LYS  14          1HZ       LYS  14  -9.081   6.018   9.847
  133   2HZ   LYS  14          2HZ       LYS  14  -9.585   5.231  11.234
  134   3HZ   LYS  14          3HZ       LYS  14  -8.172   6.160  11.248
  135    H    TRP  15           H        TRP  15  -3.141   5.573   7.011
  136    HA   TRP  15           HA       TRP  15  -2.787   7.216   4.675
  137   1HB   TRP  15          1HB       TRP  15  -3.943   8.726   6.362
  138   2HB   TRP  15          2HB       TRP  15  -2.614   8.433   7.488
  139    HD1  TRP  15           HD1      TRP  15  -2.392   9.414   3.657
  140    HE1  TRP  15           HE1      TRP  15  -0.861  11.469   3.498
  141    HE3  TRP  15           HE3      TRP  15  -1.679  10.215   8.608
  142    HZ2  TRP  15           HZ2      TRP  15   0.236  13.375   5.284
  143    HZ3  TRP  15           HZ3      TRP  15  -0.409  12.193   9.319
  144    HH2  TRP  15           HH2      TRP  15   0.525  13.746   7.692
  145    H    PHE  16           H        PHE  16  -0.407   8.377   5.462
  146    HA   PHE  16           HA       PHE  16   1.291   6.055   6.056
  147   1HB   PHE  16          1HB       PHE  16   1.658   8.255   3.921
  148   2HB   PHE  16          2HB       PHE  16   2.862   6.969   4.284
  149    HD1  PHE  16           HD1      PHE  16   2.419   4.691   3.665
  150    HD2  PHE  16           HD2      PHE  16  -0.344   7.761   2.705
  151    HE1  PHE  16           HE1      PHE  16   1.296   3.178   2.101
  152    HE2  PHE  16           HE2      PHE  16  -1.495   6.247   1.160
  153    HZ   PHE  16           HZ       PHE  16  -0.668   3.954   0.835
  154    H    ASN  17           H        ASN  17   3.501   6.743   6.685
  155    HA   ASN  17           HA       ASN  17   3.566   9.310   8.127
  156   1HB   ASN  17          1HB       ASN  17   4.462   7.423   9.392
  157   2HB   ASN  17          2HB       ASN  17   5.409   6.868   7.967
  158   1HD2  ASN  17          2HD2      ASN  17   7.536   7.258   8.256
  159   2HD2  ASN  17          1HD2      ASN  17   8.224   8.721   8.910
  160    H    VAL  18           H        VAL  18   3.461  10.714   6.385
  161    HA   VAL  18           HA       VAL  18   4.800  10.296   3.985
  162    HB   VAL  18           HB       VAL  18   4.212  12.710   3.569
  163   1HG1  VAL  18          1HG1      VAL  18   2.767  10.738   2.894
  164   2HG1  VAL  18          2HG1      VAL  18   1.952  10.779   4.502
  165   3HG1  VAL  18          3HG1      VAL  18   1.775  12.160   3.376
  166   1HG2  VAL  18          1HG2      VAL  18   4.214  13.524   5.941
  167   2HG2  VAL  18          2HG2      VAL  18   2.633  13.790   5.133
  168   3HG2  VAL  18          3HG2      VAL  18   2.804  12.452   6.311
  169    H    ARG  19           H        ARG  19   5.773  12.035   6.799
  170    HA   ARG  19           HA       ARG  19   7.775  13.579   5.760
  171   1HB   ARG  19          1HB       ARG  19   6.793  13.653   8.031
  172   2HB   ARG  19          2HB       ARG  19   7.768  12.223   8.506
  173   1HG   ARG  19          1HG       ARG  19   9.846  13.561   8.056
  174   2HG   ARG  19          2HG       ARG  19   8.890  14.929   7.482
  175   1HD   ARG  19          1HD       ARG  19   8.773  13.805  10.358
  176   2HD   ARG  19          2HD       ARG  19   9.803  15.191   9.825
  177    HE   ARG  19           HE       ARG  19   6.926  15.496   9.074
  178   1HH1  ARG  19          1HH1      ARG  19   9.150  15.926  11.866
  179   2HH1  ARG  19          2HH1      ARG  19   8.238  17.274  12.452
  180   1HH2  ARG  19          1HH2      ARG  19   5.772  17.087   9.938
  181   2HH2  ARG  19          2HH2      ARG  19   6.231  17.895  11.427
  182    H    ASN  20           H        ASN  20   8.207  10.182   6.904
  183    HA   ASN  20           HA       ASN  20  10.794  10.150   5.553
  184   1HB   ASN  20          1HB       ASN  20   9.363   7.903   7.076
  185   2HB   ASN  20          2HB       ASN  20  11.042   7.858   6.451
  186   1HD2  ASN  20          2HD2      ASN  20  12.660   9.165   7.486
  187   2HD2  ASN  20          1HD2      ASN  20  12.418   9.612   9.173
  188    H    GLY  21           H        GLY  21   7.490   8.758   5.267
  189   1HA   GLY  21          1HA       GLY  21   8.207   8.038   2.499
  190   2HA   GLY  21          2HA       GLY  21   6.613   8.454   3.191
  191    H    TYR  22           H        TYR  22   6.644   6.720   5.437
  192    HA   TYR  22           HA       TYR  22   6.578   4.103   4.081
  193   1HB   TYR  22          1HB       TYR  22   7.379   4.695   6.997
  194   2HB   TYR  22          2HB       TYR  22   7.197   3.050   6.285
  195    HD1  TYR  22           HD1      TYR  22   8.586   2.655   4.087
  196    HD2  TYR  22           HD2      TYR  22   9.510   5.484   7.128
  197    HE1  TYR  22           HE1      TYR  22  10.955   2.526   3.482
  198    HE2  TYR  22           HE2      TYR  22  11.881   5.330   6.541
  199    HH   TYR  22           HH       TYR  22  13.043   3.200   3.986
  200    H    GLY  23           H        GLY  23   5.024   2.581   4.981
  201   1HA   GLY  23          1HA       GLY  23   2.592   3.763   5.835
  202   2HA   GLY  23          2HA       GLY  23   3.521   3.029   7.192
  203    H    PHE  24           H        PHE  24   1.401   1.651   7.116
  204    HA   PHE  24           HA       PHE  24   1.779  -0.495   5.144
  205   1HB   PHE  24          1HB       PHE  24   1.025  -2.151   6.754
  206   2HB   PHE  24          2HB       PHE  24   2.479  -1.295   7.338
  207    HD1  PHE  24           HD1      PHE  24   2.286   0.426   9.094
  208    HD2  PHE  24           HD2      PHE  24  -0.981  -2.040   7.969
  209    HE1  PHE  24           HE1      PHE  24   1.193   0.920  11.230
  210    HE2  PHE  24           HE2      PHE  24  -2.067  -1.571  10.111
  211    HZ   PHE  24           HZ       PHE  24  -1.003  -0.079  11.745
  212    H    ILE  25           H        ILE  25  -0.044  -1.662   4.500
  213    HA   ILE  25           HA       ILE  25  -2.572  -0.170   4.733
  214    HB   ILE  25           HB       ILE  25  -2.047  -2.346   2.736
  215   1HG1  ILE  25          1HG1      ILE  25  -0.246  -0.746   2.303
  216   2HG1  ILE  25          2HG1      ILE  25  -1.481  -0.753   1.013
  217   1HG2  ILE  25          1HG2      ILE  25  -4.003   0.019   2.882
  218   2HG2  ILE  25          2HG2      ILE  25  -3.825  -1.077   1.459
  219   3HG2  ILE  25          3HG2      ILE  25  -4.401  -1.726   3.024
  220   1HD1  ILE  25          1HD1      ILE  25  -1.299   1.408   3.215
  221   2HD1  ILE  25          2HD1      ILE  25  -0.702   1.567   1.521
  222   3HD1  ILE  25          3HD1      ILE  25  -2.454   1.387   1.842
  223    H    ASN  26           H        ASN  26  -4.466  -1.543   5.260
  224    HA   ASN  26           HA       ASN  26  -3.690  -4.232   6.217
  225   1HB   ASN  26          1HB       ASN  26  -5.869  -2.306   7.195
  226   2HB   ASN  26          2HB       ASN  26  -5.910  -4.055   7.543
  227   1HD2  ASN  26          2HD2      ASN  26  -2.964  -4.470   7.948
  228   2HD2  ASN  26          1HD2      ASN  26  -2.801  -3.887   9.555
  229    H    ARG  27           H        ARG  27  -3.785  -5.183   4.226
  230    HA   ARG  27           HA       ARG  27  -5.468  -5.709   2.453
  231   1HB   ARG  27          1HB       ARG  27  -3.345  -6.861   3.241
  232   2HB   ARG  27          2HB       ARG  27  -4.348  -7.831   4.332
  233   1HG   ARG  27          1HG       ARG  27  -5.635  -8.507   2.096
  234   2HG   ARG  27          2HG       ARG  27  -4.186  -7.801   1.281
  235   1HD   ARG  27          1HD       ARG  27  -2.695  -9.395   2.594
  236   2HD   ARG  27          2HD       ARG  27  -4.182  -9.951   3.472
  237    HE   ARG  27           HE       ARG  27  -4.788 -10.438   0.764
  238   1HH1  ARG  27          1HH1      ARG  27  -4.804 -12.580   0.024
  239   2HH1  ARG  27          2HH1      ARG  27  -4.091 -13.786   1.018
  240   1HH2  ARG  27          1HH2      ARG  27  -2.952 -11.765   3.529
  241   2HH2  ARG  27          2HH2      ARG  27  -3.106 -13.327   2.833
  242    H    ASN  28           H        ASN  28  -7.337  -6.874   1.965
  243    HA   ASN  28           HA       ASN  28  -9.294  -7.039   3.935
  244   1HB   ASN  28          1HB       ASN  28 -10.683  -8.069   2.169
  245   2HB   ASN  28          2HB       ASN  28  -9.897  -6.539   1.686
  246   1HD2  ASN  28          2HD2      ASN  28  -9.610  -6.801  -0.538
  247   2HD2  ASN  28          1HD2      ASN  28  -8.616  -8.076  -1.214
  248    H    ASP  29           H        ASP  29  -6.807  -9.301   3.710
  249    HA   ASP  29           HA       ASP  29  -8.500 -11.556   4.070
  250   1HB   ASP  29          1HB       ASP  29  -6.251 -11.400   2.811
  251   2HB   ASP  29          2HB       ASP  29  -5.471 -11.530   4.439
  252    H    THR  30           H        THR  30  -5.789 -10.552   6.419
  253    HA   THR  30           HA       THR  30  -7.736 -11.328   8.442
  254    HB   THR  30           HB       THR  30  -5.944 -13.063   7.908
  255    HG1  THR  30           HG1      THR  30  -5.859 -12.128  10.544
  256   1HG2  THR  30          1HG2      THR  30  -3.978 -11.464   7.785
  257   2HG2  THR  30          2HG2      THR  30  -4.160 -11.108   9.547
  258   3HG2  THR  30          3HG2      THR  30  -3.772 -12.778   9.006
  259    H    LYS  31           H        LYS  31  -6.521  -8.944   6.947
  260    HA   LYS  31           HA       LYS  31  -6.007  -6.857   7.263
  261   1HB   LYS  31          1HB       LYS  31  -7.067  -7.333  10.068
  262   2HB   LYS  31          2HB       LYS  31  -6.538  -5.750   9.446
  263   1HG   LYS  31          1HG       LYS  31  -8.793  -5.605   9.224
  264   2HG   LYS  31          2HG       LYS  31  -8.314  -6.071   7.567
  265   1HD   LYS  31          1HD       LYS  31  -9.130  -8.358   7.934
  266   2HD   LYS  31          2HD       LYS  31  -9.199  -8.093   9.707
  267   1HE   LYS  31          1HE       LYS  31 -11.008  -6.428   9.460
  268   2HE   LYS  31          2HE       LYS  31 -11.024  -6.654   7.655
  269   1HZ   LYS  31          1HZ       LYS  31 -11.500  -8.857   9.614
  270   2HZ   LYS  31          2HZ       LYS  31 -12.708  -7.895   8.907
  271   3HZ   LYS  31          3HZ       LYS  31 -11.725  -8.863   7.930
  272    H    GLU  32           H        GLU  32  -3.791  -8.031   6.931
  273    HA   GLU  32           HA       GLU  32  -2.172  -7.883   9.324
  274   1HB   GLU  32          1HB       GLU  32  -0.673  -9.268   7.912
  275   2HB   GLU  32          2HB       GLU  32  -2.304  -9.947   8.108
  276   1HG   GLU  32          1HG       GLU  32  -1.990  -8.253   5.613
  277   2HG   GLU  32          2HG       GLU  32  -0.984  -9.749   5.728
  278    H    ASP  33           H        ASP  33   0.060  -7.025   9.189
  279    HA   ASP  33           HA       ASP  33  -0.070  -4.451   8.047
  280   1HB   ASP  33          1HB       ASP  33   2.004  -4.120   9.440
  281   2HB   ASP  33          2HB       ASP  33   0.580  -4.680  10.362
  282    H    VAL  34           H        VAL  34   0.199  -4.534   5.851
  283    HA   VAL  34           HA       VAL  34   2.732  -5.721   4.930
  284    HB   VAL  34           HB       VAL  34   0.333  -4.944   3.307
  285   1HG1  VAL  34          1HG1      VAL  34   2.607  -5.148   2.135
  286   2HG1  VAL  34          2HG1      VAL  34   2.715  -6.839   2.721
  287   3HG1  VAL  34          3HG1      VAL  34   1.418  -6.368   1.583
  288   1HG2  VAL  34          1HG2      VAL  34   1.033  -7.664   4.627
  289   2HG2  VAL  34          2HG2      VAL  34  -0.464  -6.674   4.818
  290   3HG2  VAL  34          3HG2      VAL  34  -0.122  -7.457   3.253
  291    H    PHE  35           H        PHE  35   4.333  -4.295   4.813
  292    HA   PHE  35           HA       PHE  35   3.674  -1.503   4.846
  293   1HB   PHE  35          1HB       PHE  35   6.179  -3.180   5.290
  294   2HB   PHE  35          2HB       PHE  35   6.343  -1.423   5.003
  295    HD1  PHE  35           HD1      PHE  35   4.705  -3.896   7.226
  296    HD2  PHE  35           HD2      PHE  35   5.887   0.142   6.601
  297    HE1  PHE  35           HE1      PHE  35   4.248  -3.392   9.578
  298    HE2  PHE  35           HE2      PHE  35   5.423   0.624   8.958
  299    HZ   PHE  35           HZ       PHE  35   4.616  -1.129  10.467
  300    H    VAL  36           H        VAL  36   4.295   0.137   3.563
  301    HA   VAL  36           HA       VAL  36   5.090  -0.549   0.831
  302    HB   VAL  36           HB       VAL  36   2.938   1.285   1.923
  303   1HG1  VAL  36          1HG1      VAL  36   3.837   0.814  -1.003
  304   2HG1  VAL  36          2HG1      VAL  36   2.337   1.668  -0.502
  305   3HG1  VAL  36          3HG1      VAL  36   3.931   2.373  -0.095
  306   1HG2  VAL  36          1HG2      VAL  36   2.266  -1.169   1.859
  307   2HG2  VAL  36          2HG2      VAL  36   1.341  -0.142   0.706
  308   3HG2  VAL  36          3HG2      VAL  36   2.680  -1.171   0.091
  309    H    HIS  37           H        HIS  37   6.538   0.850  -0.075
  310    HA   HIS  37           HA       HIS  37   7.135   3.338   1.330
  311   1HB   HIS  37          1HB       HIS  37   9.475   3.200   0.418
  312   2HB   HIS  37          2HB       HIS  37   9.057   1.956   1.662
  313    HD1  HIS  37           HD1      HIS  37  10.858   2.103  -1.435
  314    HD2  HIS  37           HD2      HIS  37   8.287  -0.679   0.390
  315    HE1  HIS  37           HE1      HIS  37  11.237  -0.140  -2.506
  316    H    GLN  38           H        GLN  38   8.122   5.019  -0.237
  317    HA   GLN  38           HA       GLN  38   6.038   5.560  -1.945
  318   1HB   GLN  38          1HB       GLN  38   8.801   6.813  -1.772
  319   2HB   GLN  38          2HB       GLN  38   7.388   7.561  -2.576
  320   1HG   GLN  38          1HG       GLN  38   6.130   7.588  -0.407
  321   2HG   GLN  38          2HG       GLN  38   7.572   6.906   0.430
  322   1HE2  GLN  38          2HE2      GLN  38   9.712   8.290  -0.469
  323   2HE2  GLN  38          1HE2      GLN  38   9.527   9.983  -0.120
  324    H    THR  39           H        THR  39   9.272   4.316  -2.705
  325    HA   THR  39           HA       THR  39   8.939   4.538  -5.480
  326    HB   THR  39           HB       THR  39  10.857   2.796  -3.869
  327    HG1  THR  39           HG1      THR  39  12.183   4.616  -4.212
  328   1HG2  THR  39          1HG2      THR  39  10.961   3.981  -6.770
  329   2HG2  THR  39          2HG2      THR  39  12.346   3.216  -5.910
  330   3HG2  THR  39          3HG2      THR  39  10.908   2.241  -6.340
  331    H    ALA  40           H        ALA  40   7.740   2.167  -3.190
  332    HA   ALA  40           HA       ALA  40   7.475   0.067  -5.128
  333   1HB   ALA  40          1HB       ALA  40   6.090   0.502  -2.428
  334   2HB   ALA  40          2HB       ALA  40   6.109  -1.020  -3.395
  335   3HB   ALA  40          3HB       ALA  40   7.629  -0.412  -2.699
  336    H    ILE  41           H        ILE  41   5.687   2.893  -4.166
  337    HA   ILE  41           HA       ILE  41   3.291   2.200  -5.580
  338    HB   ILE  41           HB       ILE  41   4.276   4.837  -4.497
  339   1HG1  ILE  41          1HG1      ILE  41   2.300   2.859  -3.245
  340   2HG1  ILE  41          2HG1      ILE  41   4.022   3.020  -2.740
  341   1HG2  ILE  41          1HG2      ILE  41   1.486   3.836  -5.425
  342   2HG2  ILE  41          2HG2      ILE  41   1.810   5.435  -4.673
  343   3HG2  ILE  41          3HG2      ILE  41   2.494   5.065  -6.279
  344   1HD1  ILE  41          1HD1      ILE  41   3.629   5.447  -2.187
  345   2HD1  ILE  41          2HD1      ILE  41   1.883   5.228  -2.548
  346   3HD1  ILE  41          3HD1      ILE  41   2.635   4.321  -1.198
  347    H    LYS  42           H        LYS  42   3.206   2.143  -7.700
  348    HA   LYS  42           HA       LYS  42   5.046   3.824  -9.265
  349   1HB   LYS  42          1HB       LYS  42   3.644   1.226 -10.020
  350   2HB   LYS  42          2HB       LYS  42   4.663   2.213 -11.113
  351   1HG   LYS  42          1HG       LYS  42   6.622   1.829  -9.650
  352   2HG   LYS  42          2HG       LYS  42   5.617   0.916  -8.479
  353   1HD   LYS  42          1HD       LYS  42   5.096  -0.797 -10.176
  354   2HD   LYS  42          2HD       LYS  42   6.023   0.108 -11.413
  355   1HE   LYS  42          1HE       LYS  42   8.144  -0.240 -10.187
  356   2HE   LYS  42          2HE       LYS  42   7.269  -1.009  -8.810
  357   1HZ   LYS  42          1HZ       LYS  42   7.130  -2.089 -11.589
  358   2HZ   LYS  42          2HZ       LYS  42   8.363  -2.493 -10.518
  359   3HZ   LYS  42          3HZ       LYS  42   6.747  -2.863 -10.145
  360    H    LYS  43           H        LYS  43   4.225   5.365 -10.654
  361    HA   LYS  43           HA       LYS  43   1.382   5.813 -10.456
  362   1HB   LYS  43          1HB       LYS  43   3.601   7.408 -11.793
  363   2HB   LYS  43          2HB       LYS  43   1.875   7.881 -11.740
  364   1HG   LYS  43          1HG       LYS  43   2.028   7.818  -9.179
  365   2HG   LYS  43          2HG       LYS  43   3.797   7.587  -9.376
  366   1HD   LYS  43          1HD       LYS  43   3.849   9.694 -10.805
  367   2HD   LYS  43          2HD       LYS  43   2.134   9.984 -10.393
  368   1HE   LYS  43          1HE       LYS  43   4.538   9.882  -8.430
  369   2HE   LYS  43          2HE       LYS  43   3.691  11.355  -9.015
  370   1HZ   LYS  43          1HZ       LYS  43   1.620  10.386  -7.998
  371   2HZ   LYS  43          2HZ       LYS  43   2.568   9.207  -7.289
  372   3HZ   LYS  43          3HZ       LYS  43   2.848  10.807  -6.892
  373    H    ASN  44           H        ASN  44   0.459   4.098 -11.658
  374    HA   ASN  44           HA       ASN  44   1.197   3.890 -14.441
  375   1HB   ASN  44          1HB       ASN  44   0.716   1.856 -12.970
  376   2HB   ASN  44          2HB       ASN  44  -0.987   2.404 -12.849
  377   1HD2  ASN  44          2HD2      ASN  44  -1.192   0.152 -13.804
  378   2HD2  ASN  44          1HD2      ASN  44  -1.327   0.094 -15.550
  379    H    ASN  45           H        ASN  45  -1.754   4.522 -12.520
  380    HA   ASN  45           HA       ASN  45  -2.815   6.106 -14.769
  381   1HB   ASN  45          1HB       ASN  45  -4.341   4.370 -12.783
  382   2HB   ASN  45          2HB       ASN  45  -5.077   5.360 -14.124
  383   1HD2  ASN  45          2HD2      ASN  45  -4.854   2.328 -13.412
  384   2HD2  ASN  45          1HD2      ASN  45  -4.355   1.632 -14.931
  385    HA   PRO  46           HA       PRO  46  -2.843   8.515 -10.850
  386   1HB   PRO  46          1HB       PRO  46  -1.388  10.755 -11.533
  387   2HB   PRO  46          2HB       PRO  46  -0.629   9.210 -11.039
  388   1HG   PRO  46          1HG       PRO  46  -1.103  10.245 -13.897
  389   2HG   PRO  46          2HG       PRO  46   0.416   9.543 -13.192
  390   1HD   PRO  46          1HD       PRO  46  -1.406   8.005 -14.655
  391   2HD   PRO  46          2HD       PRO  46  -0.439   7.321 -13.284
  392    H    ARG  47           H        ARG  47  -5.030   9.024 -10.797
  393    HA   ARG  47           HA       ARG  47  -5.885  11.087 -12.710
  394   1HB   ARG  47          1HB       ARG  47  -7.479   9.027 -11.126
  395   2HB   ARG  47          2HB       ARG  47  -8.197  10.293 -12.162
  396   1HG   ARG  47          1HG       ARG  47  -6.383   8.003 -13.091
  397   2HG   ARG  47          2HG       ARG  47  -8.161   8.121 -13.315
  398   1HD   ARG  47          1HD       ARG  47  -6.067  10.021 -14.599
  399   2HD   ARG  47          2HD       ARG  47  -6.909   8.655 -15.404
  400    HE   ARG  47           HE       ARG  47  -8.162  11.224 -14.419
  401   1HH1  ARG  47          1HH1      ARG  47 -10.312  11.673 -15.074
  402   2HH1  ARG  47          2HH1      ARG  47 -10.984  10.741 -16.389
  403   1HH2  ARG  47          1HH2      ARG  47  -8.547   8.265 -16.479
  404   2HH2  ARG  47          2HH2      ARG  47 -10.097   8.857 -17.030
  405    H    LYS  48           H        LYS  48  -7.213  12.740 -12.133
  406    HA   LYS  48           HA       LYS  48  -6.692  13.763  -9.474
  407   1HB   LYS  48          1HB       LYS  48  -7.936  15.003 -11.978
  408   2HB   LYS  48          2HB       LYS  48  -7.527  15.876 -10.452
  409   1HG   LYS  48          1HG       LYS  48  -5.117  15.305 -10.838
  410   2HG   LYS  48          2HG       LYS  48  -5.566  14.506 -12.383
  411   1HD   LYS  48          1HD       LYS  48  -6.542  16.695 -13.213
  412   2HD   LYS  48          2HD       LYS  48  -6.109  17.445 -11.651
  413   1HE   LYS  48          1HE       LYS  48  -4.451  18.141 -13.242
  414   2HE   LYS  48          2HE       LYS  48  -3.655  16.979 -12.122
  415   1HZ   LYS  48          1HZ       LYS  48  -4.647  16.370 -14.877
  416   2HZ   LYS  48          2HZ       LYS  48  -3.088  16.651 -14.391
  417   3HZ   LYS  48          3HZ       LYS  48  -3.874  15.253 -13.836
  418    H    TYR  49           H        TYR  49  -9.574  14.598 -11.289
  419    HA   TYR  49           HA       TYR  49 -11.607  14.709 -10.833
  420   1HB   TYR  49          1HB       TYR  49 -11.316  12.208 -11.304
  421   2HB   TYR  49          2HB       TYR  49 -11.474  11.946  -9.546
  422    HD1  TYR  49           HD1      TYR  49 -13.124  13.873 -12.288
  423    HD2  TYR  49           HD2      TYR  49 -13.642  11.441  -8.861
  424    HE1  TYR  49           HE1      TYR  49 -15.546  13.937 -12.615
  425    HE2  TYR  49           HE2      TYR  49 -16.070  11.495  -9.161
  426    HH   TYR  49           HH       TYR  49 -17.768  12.470 -10.291
  427    H    LEU  50           H        LEU  50 -10.523  16.299  -9.247
  428    HA   LEU  50           HA       LEU  50 -10.944  17.620  -7.667
  429   1HB   LEU  50          1HB       LEU  50 -13.342  17.054  -8.120
  430   2HB   LEU  50          2HB       LEU  50 -13.292  15.910  -6.758
  431    HG   LEU  50           HG       LEU  50 -12.721  17.836  -5.212
  432   1HD1  LEU  50          1HD1      LEU  50 -13.278  19.553  -7.727
  433   2HD1  LEU  50          2HD1      LEU  50 -13.191  20.175  -6.047
  434   3HD1  LEU  50          3HD1      LEU  50 -11.722  19.481  -6.811
  435   1HD2  LEU  50          1HD2      LEU  50 -15.047  16.988  -5.493
  436   2HD2  LEU  50          2HD2      LEU  50 -15.034  18.773  -5.215
  437   3HD2  LEU  50          3HD2      LEU  50 -15.313  18.121  -6.871
  438    H    ARG  51           H        ARG  51 -11.407  14.415  -6.250
  439    HA   ARG  51           HA       ARG  51  -9.197  14.948  -4.408
  440   1HB   ARG  51          1HB       ARG  51 -11.878  13.675  -3.564
  441   2HB   ARG  51          2HB       ARG  51 -10.396  13.762  -2.566
  442   1HG   ARG  51          1HG       ARG  51 -10.518  16.256  -2.570
  443   2HG   ARG  51          2HG       ARG  51 -12.004  16.177  -3.576
  444   1HD   ARG  51          1HD       ARG  51 -13.155  14.876  -1.691
  445   2HD   ARG  51          2HD       ARG  51 -11.656  15.028  -0.719
  446    HE   ARG  51           HE       ARG  51 -12.037  17.387  -0.485
  447   1HH1  ARG  51          1HH1      ARG  51 -13.261  19.302  -0.624
  448   2HH1  ARG  51          2HH1      ARG  51 -14.601  19.394  -1.726
  449   1HH2  ARG  51          1HH2      ARG  51 -14.459  16.037  -2.774
  450   2HH2  ARG  51          2HH2      ARG  51 -15.421  17.476  -2.735
  451    H    SER  52           H        SER  52  -8.052  13.153  -3.848
  452    HA   SER  52           HA       SER  52  -8.258  10.919  -5.696
  453   1HB   SER  52          1HB       SER  52  -6.148  11.675  -3.572
  454   2HB   SER  52          2HB       SER  52  -6.001  10.315  -4.759
  455    HG   SER  52           HG       SER  52  -4.913  12.183  -5.349
  456    H    VAL  53           H        VAL  53  -7.838  11.489  -2.185
  457    HA   VAL  53           HA       VAL  53  -8.785   8.741  -1.700
  458    HB   VAL  53           HB       VAL  53  -7.466   8.865   0.366
  459   1HG1  VAL  53          1HG1      VAL  53  -6.643   7.804  -1.736
  460   2HG1  VAL  53          2HG1      VAL  53  -5.898   9.377  -2.236
  461   3HG1  VAL  53          3HG1      VAL  53  -5.311   8.531  -0.764
  462   1HG2  VAL  53          1HG2      VAL  53  -7.424  11.384   0.636
  463   2HG2  VAL  53          2HG2      VAL  53  -5.786  10.645   0.638
  464   3HG2  VAL  53          3HG2      VAL  53  -6.368  11.500  -0.822
  465    H    GLY  54           H        GLY  54  -9.478   8.643   0.792
  466   1HA   GLY  54          1HA       GLY  54 -11.871  10.292   0.870
  467   2HA   GLY  54          2HA       GLY  54 -10.679  10.400   2.232
  468    H    ASP  55           H        ASP  55 -11.456   9.274   3.897
  469    HA   ASP  55           HA       ASP  55 -12.059   7.544   5.139
  470   1HB   ASP  55          1HB       ASP  55 -14.197   7.738   3.807
  471   2HB   ASP  55          2HB       ASP  55 -13.606   6.394   2.784
  472    H    GLY  56           H        GLY  56 -12.323   4.811   3.884
  473   1HA   GLY  56          1HA       GLY  56 -10.675   3.139   4.067
  474   2HA   GLY  56          2HA       GLY  56  -9.427   4.296   3.523
  475    H    GLU  57           H        GLU  57  -9.434   4.977   1.248
  476    HA   GLU  57           HA       GLU  57 -10.880   3.518  -0.659
  477   1HB   GLU  57          1HB       GLU  57  -8.462   5.287  -0.601
  478   2HB   GLU  57          2HB       GLU  57  -8.589   4.257  -2.027
  479   1HG   GLU  57          1HG       GLU  57 -10.856   6.101  -1.080
  480   2HG   GLU  57          2HG       GLU  57  -9.641   6.496  -2.367
  481    H    THR  58           H        THR  58  -9.810   2.229  -2.425
  482    HA   THR  58           HA       THR  58  -8.233   0.108  -1.173
  483    HB   THR  58           HB       THR  58  -8.593  -0.921  -3.582
  484    HG1  THR  58           HG1      THR  58 -10.937   0.552  -3.111
  485   1HG2  THR  58          1HG2      THR  58  -9.109  -1.915  -1.295
  486   2HG2  THR  58          2HG2      THR  58 -10.682  -1.042  -1.298
  487   3HG2  THR  58          3HG2      THR  58 -10.345  -2.307  -2.530
  488    H    VAL  59           H        VAL  59  -6.249  -0.341  -1.677
  489    HA   VAL  59           HA       VAL  59  -5.107   0.818  -4.120
  490    HB   VAL  59           HB       VAL  59  -2.918   0.789  -2.992
  491   1HG1  VAL  59          1HG1      VAL  59  -4.214   2.919  -3.171
  492   2HG1  VAL  59          2HG1      VAL  59  -5.051   2.549  -1.608
  493   3HG1  VAL  59          3HG1      VAL  59  -3.278   2.861  -1.644
  494   1HG2  VAL  59          1HG2      VAL  59  -3.460  -0.861  -1.141
  495   2HG2  VAL  59          2HG2      VAL  59  -2.773   0.672  -0.537
  496   3HG2  VAL  59          3HG2      VAL  59  -4.538   0.384  -0.384
  497    H    GLU  60           H        GLU  60  -3.756  -0.707  -5.271
  498    HA   GLU  60           HA       GLU  60  -4.034  -3.473  -4.341
  499   1HB   GLU  60          1HB       GLU  60  -2.895  -2.416  -6.983
  500   2HB   GLU  60          2HB       GLU  60  -3.298  -4.115  -6.619
  501   1HG   GLU  60          1HG       GLU  60  -5.585  -3.819  -7.010
  502   2HG   GLU  60          2HG       GLU  60  -5.559  -2.074  -6.551
  503    H    PHE  61           H        PHE  61  -2.345  -4.809  -4.235
  504    HA   PHE  61           HA       PHE  61   0.343  -3.876  -4.691
  505   1HB   PHE  61          1HB       PHE  61   1.036  -4.319  -2.210
  506   2HB   PHE  61          2HB       PHE  61   0.167  -2.802  -2.587
  507    HD1  PHE  61           HD1      PHE  61  -0.312  -6.236  -1.225
  508    HD2  PHE  61           HD2      PHE  61  -1.883  -2.334  -1.749
  509    HE1  PHE  61           HE1      PHE  61  -2.129  -6.778   0.335
  510    HE2  PHE  61           HE2      PHE  61  -3.736  -2.861  -0.176
  511    HZ   PHE  61           HZ       PHE  61  -3.805  -5.086   0.870
  512    H    ASP  62           H        ASP  62   1.938  -5.549  -3.713
  513    HA   ASP  62           HA       ASP  62   0.796  -8.264  -3.928
  514   1HB   ASP  62          1HB       ASP  62   3.682  -7.214  -4.146
  515   2HB   ASP  62          2HB       ASP  62   3.198  -8.945  -4.306
  516    H    VAL  63           H        VAL  63   1.404  -9.758  -2.179
  517    HA   VAL  63           HA       VAL  63   2.181  -8.400   0.321
  518    HB   VAL  63           HB       VAL  63   0.510 -10.929  -0.056
  519   1HG1  VAL  63          1HG1      VAL  63   1.342  -9.368   2.511
  520   2HG1  VAL  63          2HG1      VAL  63   0.261 -10.805   2.437
  521   3HG1  VAL  63          3HG1      VAL  63   1.990 -10.969   2.034
  522   1HG2  VAL  63          1HG2      VAL  63  -0.748  -8.787  -0.562
  523   2HG2  VAL  63          2HG2      VAL  63  -1.325  -9.641   0.917
  524   3HG2  VAL  63          3HG2      VAL  63  -0.292  -8.169   1.074
  525    H    VAL  64           H        VAL  64   4.471  -8.693   0.044
  526    HA   VAL  64           HA       VAL  64   5.213 -11.462  -0.664
  527    HB   VAL  64           HB       VAL  64   7.273 -10.120  -1.559
  528   1HG1  VAL  64          1HG1      VAL  64   4.539 -10.650  -2.921
  529   2HG1  VAL  64          2HG1      VAL  64   6.050 -10.246  -3.811
  530   3HG1  VAL  64          3HG1      VAL  64   5.975 -11.755  -2.862
  531   1HG2  VAL  64          1HG2      VAL  64   6.235  -7.834  -0.983
  532   2HG2  VAL  64          2HG2      VAL  64   6.556  -8.094  -2.735
  533   3HG2  VAL  64          3HG2      VAL  64   4.881  -8.239  -2.131
  534    H    GLU  65           H        GLU  65   5.192 -12.175   1.344
  535    HA   GLU  65           HA       GLU  65   6.601 -10.796   3.392
  536   1HB   GLU  65          1HB       GLU  65   4.444 -12.021   3.721
  537   2HB   GLU  65          2HB       GLU  65   5.284 -13.561   3.489
  538   1HG   GLU  65          1HG       GLU  65   6.691 -13.158   5.518
  539   2HG   GLU  65          2HG       GLU  65   6.012 -11.485   5.665
  540    H    GLY  66           H        GLY  66   8.605 -10.931   3.919
  541   1HA   GLY  66          1HA       GLY  66  10.770 -11.857   3.390
  542   2HA   GLY  66          2HA       GLY  66  10.060 -13.480   3.588
  543    H    GLU  67           H        GLU  67   9.624 -10.564   5.565
  544    HA   GLU  67           HA       GLU  67  11.415 -11.539   7.570
  545   1HB   GLU  67          1HB       GLU  67   9.717  -8.996   7.349
  546   2HB   GLU  67          2HB       GLU  67  11.034  -9.260   8.545
  547   1HG   GLU  67          1HG       GLU  67  11.505  -9.265   5.500
  548   2HG   GLU  67          2HG       GLU  67  11.587  -7.816   6.545
  549    H    LYS  68           H        LYS  68   9.583  -9.858   9.503
  550    HA   LYS  68           HA       LYS  68   8.247 -12.107  10.665
  551   1HB   LYS  68          1HB       LYS  68   8.444  -9.162  11.474
  552   2HB   LYS  68          2HB       LYS  68   7.822 -10.495  12.506
  553   1HG   LYS  68          1HG       LYS  68  10.029 -11.605  12.481
  554   2HG   LYS  68          2HG       LYS  68  10.738 -10.275  11.523
  555   1HD   LYS  68          1HD       LYS  68   9.492 -10.037  14.317
  556   2HD   LYS  68          2HD       LYS  68  11.239 -10.043  13.943
  557   1HE   LYS  68          1HE       LYS  68  11.000  -7.913  12.655
  558   2HE   LYS  68          2HE       LYS  68   9.214  -7.881  13.023
  559   1HZ   LYS  68          1HZ       LYS  68   9.751  -7.821  15.363
  560   2HZ   LYS  68          2HZ       LYS  68  11.427  -7.689  14.982
  561   3HZ   LYS  68          3HZ       LYS  68  10.336  -6.505  14.497
  562    H    GLY  69           H        GLY  69   7.473  -9.659   8.474
  563   1HA   GLY  69          1HA       GLY  69   5.009  -8.731   8.974
  564   2HA   GLY  69          2HA       GLY  69   4.772 -10.382   8.240
  565    H    ALA  70           H        ALA  70   3.844  -8.815   6.433
  566    HA   ALA  70           HA       ALA  70   5.894  -9.224   4.480
  567   1HB   ALA  70          1HB       ALA  70   2.934  -8.510   4.165
  568   2HB   ALA  70          2HB       ALA  70   4.014  -9.112   2.856
  569   3HB   ALA  70          3HB       ALA  70   3.626 -10.160   4.270
  570    H    GLU  71           H        GLU  71   6.147  -7.971   2.550
  571    HA   GLU  71           HA       GLU  71   5.648  -5.100   2.913
  572   1HB   GLU  71          1HB       GLU  71   7.485  -4.657   1.393
  573   2HB   GLU  71          2HB       GLU  71   8.024  -5.475   2.912
  574   1HG   GLU  71          1HG       GLU  71   8.338  -7.622   1.704
  575   2HG   GLU  71          2HG       GLU  71   7.804  -6.841   0.167
  576    H    ALA  72           H        ALA  72   5.805  -4.102   0.449
  577    HA   ALA  72           HA       ALA  72   3.949  -5.641  -1.194
  578   1HB   ALA  72          1HB       ALA  72   3.704  -2.908   0.112
  579   2HB   ALA  72          2HB       ALA  72   2.550  -4.290   0.212
  580   3HB   ALA  72          3HB       ALA  72   2.686  -3.366  -1.315
  581    H    ALA  73           H        ALA  73   4.003  -5.108  -3.331
  582    HA   ALA  73           HA       ALA  73   6.033  -3.216  -4.282
  583   1HB   ALA  73          1HB       ALA  73   7.020  -5.574  -4.162
  584   2HB   ALA  73          2HB       ALA  73   5.659  -6.173  -5.163
  585   3HB   ALA  73          3HB       ALA  73   6.826  -5.009  -5.875
  586    H    ASN  74           H        ASN  74   5.575  -2.731  -6.531
  587    HA   ASN  74           HA       ASN  74   4.244  -1.948  -8.093
  588   1HB   ASN  74          1HB       ASN  74   2.881  -4.683  -7.836
  589   2HB   ASN  74          2HB       ASN  74   2.930  -3.651  -9.312
  590   1HD2  ASN  74          2HD2      ASN  74   4.436  -6.292  -7.792
  591   2HD2  ASN  74          1HD2      ASN  74   5.974  -6.191  -8.573
  592    H    VAL  75           H        VAL  75   3.465  -0.678  -5.990
  593    HA   VAL  75           HA       VAL  75   0.758  -1.308  -5.298
  594    HB   VAL  75           HB       VAL  75   2.532   0.878  -4.196
  595   1HG1  VAL  75          1HG1      VAL  75  -0.008  -0.529  -3.118
  596   2HG1  VAL  75          2HG1      VAL  75   1.008   0.634  -2.205
  597   3HG1  VAL  75          3HG1      VAL  75   0.105   1.188  -3.647
  598   1HG2  VAL  75          1HG2      VAL  75   2.186  -2.090  -3.439
  599   2HG2  VAL  75          2HG2      VAL  75   3.703  -1.246  -3.893
  600   3HG2  VAL  75          3HG2      VAL  75   2.892  -0.844  -2.342
  601    H    THR  76           H        THR  76  -1.060  -0.120  -5.632
  602    HA   THR  76           HA       THR  76  -0.794   2.034  -7.603
  603    HB   THR  76           HB       THR  76  -2.898   1.514  -8.497
  604    HG1  THR  76           HG1      THR  76  -4.012  -0.311  -7.694
  605   1HG2  THR  76          1HG2      THR  76  -1.295  -1.066  -7.997
  606   2HG2  THR  76          2HG2      THR  76  -2.543  -0.795  -9.271
  607   3HG2  THR  76          3HG2      THR  76  -1.017   0.160  -9.308
  608    H    GLY  77           H        GLY  77  -3.503   2.792  -7.460
  609   1HA   GLY  77          1HA       GLY  77  -3.336   4.793  -5.456
  610   2HA   GLY  77          2HA       GLY  77  -4.552   3.487  -5.115
  611    HA   PRO  78           HA       PRO  78  -6.973   5.899  -7.975
  612   1HB   PRO  78          1HB       PRO  78  -7.772   8.177  -6.636
  613   2HB   PRO  78          2HB       PRO  78  -8.362   6.543  -6.209
  614   1HG   PRO  78          1HG       PRO  78  -6.073   8.089  -4.879
  615   2HG   PRO  78          2HG       PRO  78  -7.468   7.223  -4.077
  616   1HD   PRO  78          1HD       PRO  78  -4.980   6.052  -4.383
  617   2HD   PRO  78          2HD       PRO  78  -6.489   5.060  -4.527
  618    H    GLY  79           H        GLY  79  -4.261   7.634  -6.441
  619   1HA   GLY  79          1HA       GLY  79  -4.139   9.648  -8.410
  620   2HA   GLY  79          2HA       GLY  79  -2.964   8.284  -8.665

  No H/Q in entry =         620
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   9.995 -21.736  -0.297
    2    H2   MET   1           H2       MET   1   8.351 -21.929  -0.052
    3    H3   MET   1           H3       MET   1   9.019 -22.349  -1.529
    4    HA   MET   1           HA       MET   1   9.129 -20.301  -2.313
    5   1HB   MET   1          1HB       MET   1   6.859 -20.149  -0.266
    6   2HB   MET   1          2HB       MET   1   7.043 -19.056  -1.670
    7   1HG   MET   1          1HG       MET   1   6.791 -20.948  -3.234
    8   2HG   MET   1          2HG       MET   1   6.740 -22.111  -1.886
    9   1HE   MET   1          1HE       MET   1   5.110 -18.616  -2.825
   10   2HE   MET   1          2HE       MET   1   4.857 -19.757  -4.188
   11   3HE   MET   1          3HE       MET   1   3.452 -19.166  -3.244
   12    H    LYS   2           H        LYS   2   8.159 -18.940   0.862
   13    HA   LYS   2           HA       LYS   2   8.932 -17.339   2.015
   14   1HB   LYS   2          1HB       LYS   2  11.701 -18.273   1.202
   15   2HB   LYS   2          2HB       LYS   2  11.313 -17.168   2.549
   16   1HG   LYS   2          1HG       LYS   2   9.898 -18.946   3.593
   17   2HG   LYS   2          2HG       LYS   2  10.434 -20.105   2.333
   18   1HD   LYS   2          1HD       LYS   2  12.816 -19.763   2.997
   19   2HD   LYS   2          2HD       LYS   2  12.323 -18.532   4.187
   20   1HE   LYS   2          1HE       LYS   2  11.785 -21.569   4.335
   21   2HE   LYS   2          2HE       LYS   2  12.837 -20.556   5.397
   22   1HZ   LYS   2          1HZ       LYS   2  10.656 -19.296   5.876
   23   2HZ   LYS   2          2HZ       LYS   2   9.885 -20.665   5.254
   24   3HZ   LYS   2          3HZ       LYS   2  10.879 -20.799   6.598
   25    H    LYS   3           H        LYS   3   7.938 -16.319  -0.182
   26    HA   LYS   3           HA       LYS   3   9.586 -13.961  -0.633
   27   1HB   LYS   3          1HB       LYS   3   8.459 -15.749  -2.860
   28   2HB   LYS   3          2HB       LYS   3   9.065 -14.094  -3.140
   29   1HG   LYS   3          1HG       LYS   3  10.775 -16.407  -2.101
   30   2HG   LYS   3          2HG       LYS   3  10.645 -15.871  -3.807
   31   1HD   LYS   3          1HD       LYS   3  11.628 -13.689  -3.305
   32   2HD   LYS   3          2HD       LYS   3  11.538 -13.993  -1.541
   33   1HE   LYS   3          1HE       LYS   3  13.852 -14.251  -2.306
   34   2HE   LYS   3          2HE       LYS   3  13.208 -15.814  -1.682
   35   1HZ   LYS   3          1HZ       LYS   3  13.345 -15.047  -4.566
   36   2HZ   LYS   3          2HZ       LYS   3  14.470 -15.989  -3.738
   37   3HZ   LYS   3          3HZ       LYS   3  12.883 -16.551  -3.954
   38    H    VAL   4           H        VAL   4   6.422 -15.500  -0.629
   39    HA   VAL   4           HA       VAL   4   5.150 -12.947  -1.169
   40    HB   VAL   4           HB       VAL   4   5.770 -13.808  -3.325
   41   1HG1  VAL   4          1HG1      VAL   4   5.992 -16.246  -2.767
   42   2HG1  VAL   4          2HG1      VAL   4   4.202 -16.361  -2.566
   43   3HG1  VAL   4          3HG1      VAL   4   4.908 -15.976  -4.172
   44   1HG2  VAL   4          1HG2      VAL   4   3.517 -12.645  -3.002
   45   2HG2  VAL   4          2HG2      VAL   4   3.600 -13.785  -4.399
   46   3HG2  VAL   4          3HG2      VAL   4   2.759 -14.278  -2.896
   47    H    ILE   5           H        ILE   5   3.018 -12.777  -0.271
   48    HA   ILE   5           HA       ILE   5   1.967 -15.309   0.777
   49    HB   ILE   5           HB       ILE   5   1.162 -12.454   1.336
   50   1HG1  ILE   5          1HG1      ILE   5   1.755 -13.587   3.737
   51   2HG1  ILE   5          2HG1      ILE   5   2.864 -14.553   2.735
   52   1HG2  ILE   5          1HG2      ILE   5   0.068 -15.161   2.361
   53   2HG2  ILE   5          2HG2      ILE   5  -0.393 -13.540   2.983
   54   3HG2  ILE   5          3HG2      ILE   5  -0.814 -13.998   1.301
   55   1HD1  ILE   5          1HD1      ILE   5   3.791 -12.261   1.838
   56   2HD1  ILE   5          2HD1      ILE   5   2.765 -11.489   3.106
   57   3HD1  ILE   5          3HD1      ILE   5   4.069 -12.605   3.612
   58    H    ALA   6           H        ALA   6   1.206 -12.432  -1.148
   59    HA   ALA   6           HA       ALA   6   0.158 -14.102  -3.211
   60   1HB   ALA   6          1HB       ALA   6  -2.154 -12.982  -3.227
   61   2HB   ALA   6          2HB       ALA   6  -1.865 -14.017  -1.770
   62   3HB   ALA   6          3HB       ALA   6  -1.711 -12.236  -1.626
   63    H    THR   7           H        THR   7  -0.062 -12.967  -5.246
   64    HA   THR   7           HA       THR   7   0.543 -10.109  -5.156
   65    HB   THR   7           HB       THR   7   1.242 -10.262  -7.430
   66    HG1  THR   7           HG1      THR   7   1.462 -12.249  -8.384
   67   1HG2  THR   7          1HG2      THR   7   2.801 -10.832  -5.447
   68   2HG2  THR   7          2HG2      THR   7   2.507 -12.565  -5.827
   69   3HG2  THR   7          3HG2      THR   7   3.305 -11.502  -7.044
   70    H    LYS   8           H        LYS   8  -0.504  -8.716  -6.623
   71    HA   LYS   8           HA       LYS   8  -2.289  -7.618  -7.035
   72   1HB   LYS   8          1HB       LYS   8  -3.224 -10.092  -8.502
   73   2HB   LYS   8          2HB       LYS   8  -3.844  -8.431  -8.728
   74   1HG   LYS   8          1HG       LYS   8  -1.532  -7.674  -9.401
   75   2HG   LYS   8          2HG       LYS   8  -0.951  -9.354  -9.178
   76   1HD   LYS   8          1HD       LYS   8  -2.575 -10.133 -10.947
   77   2HD   LYS   8          2HD       LYS   8  -3.081  -8.442 -11.205
   78   1HE   LYS   8          1HE       LYS   8  -1.447  -9.202 -12.942
   79   2HE   LYS   8          2HE       LYS   8  -0.773  -7.835 -11.967
   80   1HZ   LYS   8          1HZ       LYS   8  -0.246 -10.656 -11.226
   81   2HZ   LYS   8          2HZ       LYS   8   0.709  -9.857 -12.387
   82   3HZ   LYS   8          3HZ       LYS   8   0.616  -9.295 -10.805
   83    H    VAL   9           H        VAL   9  -2.747  -7.341  -4.895
   84    HA   VAL   9           HA       VAL   9  -4.963  -8.885  -3.766
   85    HB   VAL   9           HB       VAL   9  -2.425  -7.750  -2.503
   86   1HG1  VAL   9          1HG1      VAL   9  -4.823  -9.307  -1.330
   87   2HG1  VAL   9          2HG1      VAL   9  -3.209  -9.202  -0.526
   88   3HG1  VAL   9          3HG1      VAL   9  -4.165  -7.708  -0.800
   89   1HG2  VAL   9          1HG2      VAL   9  -3.251 -10.632  -3.229
   90   2HG2  VAL   9          2HG2      VAL   9  -1.834  -9.692  -3.841
   91   3HG2  VAL   9          3HG2      VAL   9  -1.882 -10.197  -2.126
   92    H    LEU  10           H        LEU  10  -6.339  -7.720  -2.329
   93    HA   LEU  10           HA       LEU  10  -6.163  -4.799  -2.611
   94   1HB   LEU  10          1HB       LEU  10  -8.489  -6.750  -2.355
   95   2HB   LEU  10          2HB       LEU  10  -8.706  -5.039  -1.919
   96    HG   LEU  10           HG       LEU  10  -9.544  -5.424  -4.101
   97   1HD1  LEU  10          1HD1      LEU  10  -8.353  -3.246  -3.454
   98   2HD1  LEU  10          2HD1      LEU  10  -6.930  -3.815  -4.380
   99   3HD1  LEU  10          3HD1      LEU  10  -8.498  -3.518  -5.225
  100   1HD2  LEU  10          1HD2      LEU  10  -7.963  -7.389  -4.653
  101   2HD2  LEU  10          2HD2      LEU  10  -8.323  -6.280  -6.015
  102   3HD2  LEU  10          3HD2      LEU  10  -6.745  -6.164  -5.147
  103    H    GLY  11           H        GLY  11  -6.946  -3.478  -0.939
  104   1HA   GLY  11          1HA       GLY  11  -5.769  -3.916   1.490
  105   2HA   GLY  11          2HA       GLY  11  -7.515  -4.389   1.624
  106    H    THR  12           H        THR  12  -7.045  -2.503   3.230
  107    HA   THR  12           HA       THR  12  -8.095  -0.089   1.921
  108    HB   THR  12           HB       THR  12  -8.398  -1.062   4.786
  109    HG1  THR  12           HG1      THR  12 -10.529  -1.381   4.096
  110   1HG2  THR  12          1HG2      THR  12  -9.782   1.178   3.151
  111   2HG2  THR  12          2HG2      THR  12 -10.204   0.704   4.838
  112   3HG2  THR  12          3HG2      THR  12  -8.613   1.467   4.503
  113    H    VAL  13           H        VAL  13  -6.973   1.805   2.173
  114    HA   VAL  13           HA       VAL  13  -4.340   1.648   3.191
  115    HB   VAL  13           HB       VAL  13  -5.980   4.002   2.207
  116   1HG1  VAL  13          1HG1      VAL  13  -2.934   3.658   2.670
  117   2HG1  VAL  13          2HG1      VAL  13  -3.699   5.011   1.761
  118   3HG1  VAL  13          3HG1      VAL  13  -4.023   4.834   3.513
  119   1HG2  VAL  13          1HG2      VAL  13  -5.724   2.220   0.456
  120   2HG2  VAL  13          2HG2      VAL  13  -4.717   3.655   0.091
  121   3HG2  VAL  13          3HG2      VAL  13  -3.940   2.188   0.774
  122    H    LYS  14           H        LYS  14  -3.489   2.368   5.150
  123    HA   LYS  14           HA       LYS  14  -5.402   3.596   6.996
  124   1HB   LYS  14          1HB       LYS  14  -2.664   2.339   7.440
  125   2HB   LYS  14          2HB       LYS  14  -3.647   3.107   8.719
  126   1HG   LYS  14          1HG       LYS  14  -4.470   0.683   7.009
  127   2HG   LYS  14          2HG       LYS  14  -3.824   0.601   8.661
  128   1HD   LYS  14          1HD       LYS  14  -6.481   1.953   7.850
  129   2HD   LYS  14          2HD       LYS  14  -6.285   0.324   8.544
  130   1HE   LYS  14          1HE       LYS  14  -5.256   1.292  10.604
  131   2HE   LYS  14          2HE       LYS  14  -5.558   2.964   9.988
  132   1HZ   LYS  14          1HZ       LYS  14  -7.884   1.185  10.002
  133   2HZ   LYS  14          2HZ       LYS  14  -7.223   1.590  11.509
  134   3HZ   LYS  14          3HZ       LYS  14  -7.745   2.792  10.445
  135    H    TRP  15           H        TRP  15  -1.966   4.307   7.316
  136    HA   TRP  15           HA       TRP  15  -2.575   7.036   6.389
  137   1HB   TRP  15          1HB       TRP  15  -1.119   6.261   8.972
  138   2HB   TRP  15          2HB       TRP  15  -1.291   7.920   8.320
  139    HD1  TRP  15           HD1      TRP  15  -4.137   8.656   8.016
  140    HE1  TRP  15           HE1      TRP  15  -5.757   8.599  10.038
  141    HE3  TRP  15           HE3      TRP  15  -1.806   5.116  10.808
  142    HZ2  TRP  15           HZ2      TRP  15  -6.018   7.178  12.435
  143    HZ3  TRP  15           HZ3      TRP  15  -2.789   4.455  12.945
  144    HH2  TRP  15           HH2      TRP  15  -4.852   5.467  13.751
  145    H    PHE  16           H        PHE  16  -0.835   8.296   5.808
  146    HA   PHE  16           HA       PHE  16   1.593   6.830   5.071
  147   1HB   PHE  16          1HB       PHE  16   0.402   9.464   4.032
  148   2HB   PHE  16          2HB       PHE  16   1.995   8.789   3.522
  149    HD1  PHE  16           HD1      PHE  16   2.022   6.417   2.624
  150    HD2  PHE  16           HD2      PHE  16  -1.503   8.775   2.869
  151    HE1  PHE  16           HE1      PHE  16   0.982   5.050   0.873
  152    HE2  PHE  16           HE2      PHE  16  -2.536   7.417   1.105
  153    HZ   PHE  16           HZ       PHE  16  -1.292   5.562   0.104
  154    H    ASN  17           H        ASN  17   3.568   7.537   5.658
  155    HA   ASN  17           HA       ASN  17   3.684   9.505   7.849
  156   1HB   ASN  17          1HB       ASN  17   3.912   7.070   8.495
  157   2HB   ASN  17          2HB       ASN  17   5.270   6.902   7.333
  158   1HD2  ASN  17          2HD2      ASN  17   7.313   7.483   8.040
  159   2HD2  ASN  17          1HD2      ASN  17   7.610   7.949   9.693
  160    H    VAL  18           H        VAL  18   4.539  11.352   6.875
  161    HA   VAL  18           HA       VAL  18   5.872  10.916   4.407
  162    HB   VAL  18           HB       VAL  18   5.048  13.509   5.753
  163   1HG1  VAL  18          1HG1      VAL  18   5.725  12.769   2.817
  164   2HG1  VAL  18          2HG1      VAL  18   4.994  14.322   3.347
  165   3HG1  VAL  18          3HG1      VAL  18   6.652  13.904   3.868
  166   1HG2  VAL  18          1HG2      VAL  18   3.563  11.605   3.818
  167   2HG2  VAL  18          2HG2      VAL  18   3.063  12.035   5.502
  168   3HG2  VAL  18          3HG2      VAL  18   3.040  13.283   4.217
  169    H    ARG  19           H        ARG  19   6.963  11.956   7.579
  170    HA   ARG  19           HA       ARG  19   9.259  13.251   6.741
  171   1HB   ARG  19          1HB       ARG  19   8.675  11.621   9.273
  172   2HB   ARG  19          2HB       ARG  19  10.182  12.563   9.027
  173   1HG   ARG  19          1HG       ARG  19   8.839  14.628   8.706
  174   2HG   ARG  19          2HG       ARG  19   7.338  13.761   9.118
  175   1HD   ARG  19          1HD       ARG  19   9.816  13.906  10.976
  176   2HD   ARG  19          2HD       ARG  19   8.491  15.136  10.981
  177    HE   ARG  19           HE       ARG  19   7.287  12.506  11.222
  178   1HH1  ARG  19          1HH1      ARG  19   6.114  12.141  13.004
  179   2HH1  ARG  19          2HH1      ARG  19   6.363  13.079  14.477
  180   1HH2  ARG  19          1HH2      ARG  19   9.291  14.586  13.301
  181   2HH2  ARG  19          2HH2      ARG  19   8.231  14.450  14.619
  182    H    ASN  20           H        ASN  20   9.119   9.867   7.929
  183    HA   ASN  20           HA       ASN  20  11.602   9.282   6.648
  184   1HB   ASN  20          1HB       ASN  20   9.555   7.471   8.039
  185   2HB   ASN  20          2HB       ASN  20  11.156   6.933   7.421
  186   1HD2  ASN  20          2HD2      ASN  20  13.002   7.363   8.667
  187   2HD2  ASN  20          1HD2      ASN  20  12.906   8.177  10.217
  188    H    GLY  21           H        GLY  21   8.167   8.728   5.717
  189   1HA   GLY  21          1HA       GLY  21   9.211   8.052   3.073
  190   2HA   GLY  21          2HA       GLY  21   7.613   8.703   3.541
  191    H    TYR  22           H        TYR  22   6.496   7.067   5.194
  192    HA   TYR  22           HA       TYR  22   6.539   4.445   3.854
  193   1HB   TYR  22          1HB       TYR  22   5.926   4.791   6.828
  194   2HB   TYR  22          2HB       TYR  22   6.160   3.265   5.918
  195    HD1  TYR  22           HD1      TYR  22   7.526   4.627   8.436
  196    HD2  TYR  22           HD2      TYR  22   8.653   3.831   4.416
  197    HE1  TYR  22           HE1      TYR  22   9.870   4.568   9.110
  198    HE2  TYR  22           HE2      TYR  22  11.001   3.853   5.064
  199    HH   TYR  22           HH       TYR  22  11.985   3.901   8.411
  200    H    GLY  23           H        GLY  23   4.494   3.201   4.372
  201   1HA   GLY  23          1HA       GLY  23   2.101   4.213   3.781
  202   2HA   GLY  23          2HA       GLY  23   2.338   4.610   5.541
  203    H    PHE  24           H        PHE  24   0.311   2.959   5.453
  204    HA   PHE  24           HA       PHE  24   1.199   0.302   4.980
  205   1HB   PHE  24          1HB       PHE  24   0.825  -0.678   7.150
  206   2HB   PHE  24          2HB       PHE  24   2.108   0.548   7.221
  207    HD1  PHE  24           HD1      PHE  24  -0.896  -0.577   8.643
  208    HD2  PHE  24           HD2      PHE  24   1.458   2.901   8.062
  209    HE1  PHE  24           HE1      PHE  24  -1.967   0.463  10.584
  210    HE2  PHE  24           HE2      PHE  24   0.402   3.952   9.999
  211    HZ   PHE  24           HZ       PHE  24  -1.309   2.733  11.271
  212    H    ILE  25           H        ILE  25  -0.337  -1.312   5.065
  213    HA   ILE  25           HA       ILE  25  -3.033  -0.301   4.483
  214    HB   ILE  25           HB       ILE  25  -1.947  -2.757   3.146
  215   1HG1  ILE  25          1HG1      ILE  25  -1.293   0.146   2.373
  216   2HG1  ILE  25          2HG1      ILE  25  -0.118  -1.136   2.810
  217   1HG2  ILE  25          1HG2      ILE  25  -4.364  -2.082   2.922
  218   2HG2  ILE  25          2HG2      ILE  25  -3.842  -0.491   2.266
  219   3HG2  ILE  25          3HG2      ILE  25  -3.500  -2.006   1.361
  220   1HD1  ILE  25          1HD1      ILE  25  -1.866  -1.199   0.278
  221   2HD1  ILE  25          2HD1      ILE  25  -0.170  -0.676   0.360
  222   3HD1  ILE  25          3HD1      ILE  25  -0.569  -2.379   0.758
  223    H    ASN  26           H        ASN  26  -4.760  -1.595   5.043
  224    HA   ASN  26           HA       ASN  26  -4.180  -3.944   6.711
  225   1HB   ASN  26          1HB       ASN  26  -5.584  -2.023   7.622
  226   2HB   ASN  26          2HB       ASN  26  -6.825  -2.407   6.386
  227   1HD2  ASN  26          2HD2      ASN  26  -8.007  -4.440   6.657
  228   2HD2  ASN  26          1HD2      ASN  26  -7.948  -5.340   8.137
  229    H    ARG  27           H        ARG  27  -3.642  -5.403   5.021
  230    HA   ARG  27           HA       ARG  27  -5.141  -5.732   2.736
  231   1HB   ARG  27          1HB       ARG  27  -2.834  -6.313   3.036
  232   2HB   ARG  27          2HB       ARG  27  -3.197  -7.489   4.324
  233   1HG   ARG  27          1HG       ARG  27  -4.474  -7.828   1.590
  234   2HG   ARG  27          2HG       ARG  27  -2.709  -8.115   1.744
  235   1HD   ARG  27          1HD       ARG  27  -2.970  -9.944   3.289
  236   2HD   ARG  27          2HD       ARG  27  -4.735  -9.634   3.506
  237    HE   ARG  27           HE       ARG  27  -5.017 -10.157   1.027
  238   1HH1  ARG  27          1HH1      ARG  27  -2.919 -12.074   3.130
  239   2HH1  ARG  27          2HH1      ARG  27  -2.784 -13.290   1.929
  240   1HH2  ARG  27          1HH2      ARG  27  -4.646 -11.830  -0.544
  241   2HH2  ARG  27          2HH2      ARG  27  -3.680 -13.172   0.001
  242    H    ASN  28           H        ASN  28  -6.822  -6.882   2.128
  243    HA   ASN  28           HA       ASN  28  -8.573  -7.667   4.206
  244   1HB   ASN  28          1HB       ASN  28  -9.038  -6.181   2.204
  245   2HB   ASN  28          2HB       ASN  28  -8.910  -7.624   1.152
  246   1HD2  ASN  28          2HD2      ASN  28 -11.105  -7.128   0.493
  247   2HD2  ASN  28          1HD2      ASN  28 -12.446  -7.575   1.496
  248    H    ASP  29           H        ASP  29  -7.099  -9.551   4.776
  249    HA   ASP  29           HA       ASP  29  -8.518 -11.875   3.706
  250   1HB   ASP  29          1HB       ASP  29  -6.190 -11.839   2.684
  251   2HB   ASP  29          2HB       ASP  29  -5.498 -12.007   4.340
  252    H    THR  30           H        THR  30  -6.066 -11.241   6.346
  253    HA   THR  30           HA       THR  30  -8.176 -11.875   8.223
  254    HB   THR  30           HB       THR  30  -7.027 -13.991   7.862
  255    HG1  THR  30           HG1      THR  30  -6.417 -14.261  10.017
  256   1HG2  THR  30          1HG2      THR  30  -4.761 -13.180   7.193
  257   2HG2  THR  30          2HG2      THR  30  -4.481 -12.517   8.848
  258   3HG2  THR  30          3HG2      THR  30  -4.679 -14.283   8.605
  259    H    LYS  31           H        LYS  31  -7.454  -9.545   7.200
  260    HA   LYS  31           HA       LYS  31  -6.632  -7.544   7.527
  261   1HB   LYS  31          1HB       LYS  31  -6.767  -8.472  10.421
  262   2HB   LYS  31          2HB       LYS  31  -6.676  -6.764   9.856
  263   1HG   LYS  31          1HG       LYS  31  -8.921  -6.977  10.326
  264   2HG   LYS  31          2HG       LYS  31  -8.920  -7.301   8.571
  265   1HD   LYS  31          1HD       LYS  31  -9.121  -9.732   9.019
  266   2HD   LYS  31          2HD       LYS  31  -8.901  -9.470  10.781
  267   1HE   LYS  31          1HE       LYS  31 -11.072  -8.356  10.961
  268   2HE   LYS  31          2HE       LYS  31 -11.248  -8.304   9.158
  269   1HZ   LYS  31          1HZ       LYS  31 -11.277 -10.768   9.186
  270   2HZ   LYS  31          2HZ       LYS  31 -11.309 -10.764  10.870
  271   3HZ   LYS  31          3HZ       LYS  31 -12.541 -10.072   9.988
  272    H    GLU  32           H        GLU  32  -4.431  -8.158   6.431
  273    HA   GLU  32           HA       GLU  32  -2.401  -8.627   8.454
  274   1HB   GLU  32          1HB       GLU  32  -2.569  -9.105   5.449
  275   2HB   GLU  32          2HB       GLU  32  -1.131  -9.474   6.480
  276   1HG   GLU  32          1HG       GLU  32  -2.542 -11.036   7.846
  277   2HG   GLU  32          2HG       GLU  32  -3.957 -10.712   6.775
  278    H    ASP  33           H        ASP  33  -0.458  -7.448   8.497
  279    HA   ASP  33           HA       ASP  33  -1.145  -4.685   7.969
  280   1HB   ASP  33          1HB       ASP  33  -0.730  -5.540  10.302
  281   2HB   ASP  33          2HB       ASP  33   0.960  -5.938   9.824
  282    H    VAL  34           H        VAL  34  -0.456  -4.004   5.993
  283    HA   VAL  34           HA       VAL  34   2.041  -5.210   5.021
  284    HB   VAL  34           HB       VAL  34  -0.186  -3.837   3.511
  285   1HG1  VAL  34          1HG1      VAL  34   2.349  -5.393   2.656
  286   2HG1  VAL  34          2HG1      VAL  34   1.031  -4.891   1.536
  287   3HG1  VAL  34          3HG1      VAL  34   2.030  -3.638   2.358
  288   1HG2  VAL  34          1HG2      VAL  34   0.564  -6.813   3.929
  289   2HG2  VAL  34          2HG2      VAL  34  -0.951  -6.002   4.483
  290   3HG2  VAL  34          3HG2      VAL  34  -0.620  -6.209   2.723
  291    H    PHE  35           H        PHE  35   3.801  -4.079   5.157
  292    HA   PHE  35           HA       PHE  35   3.785  -1.243   5.523
  293   1HB   PHE  35          1HB       PHE  35   5.303  -2.941   6.694
  294   2HB   PHE  35          2HB       PHE  35   6.121  -3.221   5.139
  295    HD1  PHE  35           HD1      PHE  35   5.497  -0.852   7.871
  296    HD2  PHE  35           HD2      PHE  35   7.605  -1.569   4.254
  297    HE1  PHE  35           HE1      PHE  35   7.031   0.988   8.404
  298    HE2  PHE  35           HE2      PHE  35   9.147   0.256   4.789
  299    HZ   PHE  35           HZ       PHE  35   8.875   1.531   6.874
  300    H    VAL  36           H        VAL  36   4.353   0.342   4.053
  301    HA   VAL  36           HA       VAL  36   5.027  -0.578   1.348
  302    HB   VAL  36           HB       VAL  36   3.069   1.634   2.110
  303   1HG1  VAL  36          1HG1      VAL  36   3.978   0.435  -0.602
  304   2HG1  VAL  36          2HG1      VAL  36   2.630   1.610  -0.376
  305   3HG1  VAL  36          3HG1      VAL  36   4.317   2.112  -0.037
  306   1HG2  VAL  36          1HG2      VAL  36   2.539  -1.166   0.979
  307   2HG2  VAL  36          2HG2      VAL  36   2.075  -0.535   2.610
  308   3HG2  VAL  36          3HG2      VAL  36   1.381   0.225   1.137
  309    H    HIS  37           H        HIS  37   6.875   0.185   0.695
  310    HA   HIS  37           HA       HIS  37   7.878   2.721   1.737
  311   1HB   HIS  37          1HB       HIS  37   9.267   0.618   1.816
  312   2HB   HIS  37          2HB       HIS  37   9.233   0.559   0.039
  313    HD1  HIS  37           HD1      HIS  37  11.444   1.422  -0.837
  314    HD2  HIS  37           HD2      HIS  37  10.397   3.366   2.727
  315    HE1  HIS  37           HE1      HIS  37  13.331   3.014  -0.251
  316    H    GLN  38           H        GLN  38   9.180   4.051   0.087
  317    HA   GLN  38           HA       GLN  38   7.310   5.011  -1.739
  318   1HB   GLN  38          1HB       GLN  38  10.294   5.649  -1.550
  319   2HB   GLN  38          2HB       GLN  38   9.029   6.633  -2.346
  320   1HG   GLN  38          1HG       GLN  38   7.880   6.876  -0.050
  321   2HG   GLN  38          2HG       GLN  38   9.304   6.054   0.670
  322   1HE2  GLN  38          2HE2      GLN  38   8.263   8.939  -1.178
  323   2HE2  GLN  38          1HE2      GLN  38   9.630   9.933  -0.752
  324    H    THR  39           H        THR  39   9.818   2.640  -2.169
  325    HA   THR  39           HA       THR  39  10.114   2.869  -4.962
  326    HB   THR  39           HB       THR  39  11.103   0.529  -4.631
  327    HG1  THR  39           HG1      THR  39  10.340  -0.147  -2.727
  328   1HG2  THR  39          1HG2      THR  39  12.137   2.930  -2.962
  329   2HG2  THR  39          2HG2      THR  39  13.102   1.507  -3.489
  330   3HG2  THR  39          3HG2      THR  39  12.442   2.647  -4.719
  331    H    ALA  40           H        ALA  40   7.757   1.326  -2.887
  332    HA   ALA  40           HA       ALA  40   6.842  -0.473  -4.908
  333   1HB   ALA  40          1HB       ALA  40   5.705   0.357  -2.169
  334   2HB   ALA  40          2HB       ALA  40   5.206  -1.092  -3.135
  335   3HB   ALA  40          3HB       ALA  40   6.864  -0.981  -2.467
  336    H    ILE  41           H        ILE  41   5.983   2.725  -3.782
  337    HA   ILE  41           HA       ILE  41   3.380   2.777  -4.841
  338    HB   ILE  41           HB       ILE  41   5.268   4.877  -3.810
  339   1HG1  ILE  41          1HG1      ILE  41   2.757   3.581  -2.600
  340   2HG1  ILE  41          2HG1      ILE  41   4.421   3.046  -2.240
  341   1HG2  ILE  41          1HG2      ILE  41   2.278   5.163  -4.553
  342   2HG2  ILE  41          2HG2      ILE  41   3.236   6.361  -3.623
  343   3HG2  ILE  41          3HG2      ILE  41   3.667   6.039  -5.318
  344   1HD1  ILE  41          1HD1      ILE  41   4.978   5.332  -1.336
  345   2HD1  ILE  41          2HD1      ILE  41   3.258   5.823  -1.580
  346   3HD1  ILE  41          3HD1      ILE  41   3.662   4.498  -0.437
  347    H    LYS  42           H        LYS  42   2.512   3.612  -6.610
  348    HA   LYS  42           HA       LYS  42   3.698   3.313  -8.935
  349   1HB   LYS  42          1HB       LYS  42   1.689   4.262  -9.915
  350   2HB   LYS  42          2HB       LYS  42   1.332   3.251  -8.493
  351   1HG   LYS  42          1HG       LYS  42   1.203   5.407  -7.099
  352   2HG   LYS  42          2HG       LYS  42   1.274   6.311  -8.653
  353   1HD   LYS  42          1HD       LYS  42  -0.766   4.960  -9.415
  354   2HD   LYS  42          2HD       LYS  42  -0.872   4.317  -7.747
  355   1HE   LYS  42          1HE       LYS  42  -1.167   7.264  -8.633
  356   2HE   LYS  42          2HE       LYS  42  -2.453   6.167  -7.989
  357   1HZ   LYS  42          1HZ       LYS  42  -1.039   6.034  -5.924
  358   2HZ   LYS  42          2HZ       LYS  42  -0.104   7.282  -6.540
  359   3HZ   LYS  42          3HZ       LYS  42  -1.756   7.530  -6.229
  360    H    LYS  43           H        LYS  43   3.307   6.615  -7.580
  361    HA   LYS  43           HA       LYS  43   5.391   7.490  -9.438
  362   1HB   LYS  43          1HB       LYS  43   2.782   9.019  -8.923
  363   2HB   LYS  43          2HB       LYS  43   4.155   9.578  -9.924
  364   1HG   LYS  43          1HG       LYS  43   2.379   7.148 -10.562
  365   2HG   LYS  43          2HG       LYS  43   2.125   8.808 -11.169
  366   1HD   LYS  43          1HD       LYS  43   4.300   8.784 -12.344
  367   2HD   LYS  43          2HD       LYS  43   4.648   7.136 -11.718
  368   1HE   LYS  43          1HE       LYS  43   2.587   6.263 -12.877
  369   2HE   LYS  43          2HE       LYS  43   2.279   7.908 -13.551
  370   1HZ   LYS  43          1HZ       LYS  43   4.434   7.772 -14.652
  371   2HZ   LYS  43          2HZ       LYS  43   4.687   6.215 -14.060
  372   3HZ   LYS  43          3HZ       LYS  43   3.389   6.537 -15.127
  373    H    ASN  44           H        ASN  44   6.776   8.998  -8.517
  374    HA   ASN  44           HA       ASN  44   5.979  10.108  -5.916
  375   1HB   ASN  44          1HB       ASN  44   8.690   8.941  -6.779
  376   2HB   ASN  44          2HB       ASN  44   8.466   9.961  -5.311
  377   1HD2  ASN  44          2HD2      ASN  44   8.098   6.736  -6.616
  378   2HD2  ASN  44          1HD2      ASN  44   7.389   6.051  -5.180
  379    H    ASN  45           H        ASN  45   6.553  12.166  -5.437
  380    HA   ASN  45           HA       ASN  45   7.068  13.810  -7.808
  381   1HB   ASN  45          1HB       ASN  45   5.580  14.346  -5.183
  382   2HB   ASN  45          2HB       ASN  45   5.957  15.609  -6.407
  383   1HD2  ASN  45          2HD2      ASN  45   4.132  12.519  -5.949
  384   2HD2  ASN  45          1HD2      ASN  45   2.977  12.880  -7.218
  385    HA   PRO  46           HA       PRO  46  10.674  14.863  -5.331
  386   1HB   PRO  46          1HB       PRO  46  11.185  16.487  -7.878
  387   2HB   PRO  46          2HB       PRO  46  12.384  15.600  -6.851
  388   1HG   PRO  46          1HG       PRO  46  11.491  14.479  -9.183
  389   2HG   PRO  46          2HG       PRO  46  11.595  13.454  -7.694
  390   1HD   PRO  46          1HD       PRO  46   9.091  14.805  -8.869
  391   2HD   PRO  46          2HD       PRO  46   9.308  13.130  -8.212
  392    H    ARG  47           H        ARG  47   8.823  17.268  -7.295
  393    HA   ARG  47           HA       ARG  47   9.504  19.245  -5.224
  394   1HB   ARG  47          1HB       ARG  47   8.411  19.571  -8.064
  395   2HB   ARG  47          2HB       ARG  47   8.830  20.890  -6.921
  396   1HG   ARG  47          1HG       ARG  47  11.198  19.974  -6.841
  397   2HG   ARG  47          2HG       ARG  47  10.756  18.795  -8.106
  398   1HD   ARG  47          1HD       ARG  47  10.251  20.722  -9.706
  399   2HD   ARG  47          2HD       ARG  47  10.642  21.869  -8.380
  400    HE   ARG  47           HE       ARG  47  12.895  21.477  -8.721
  401   1HH1  ARG  47          1HH1      ARG  47  14.751  20.479  -9.411
  402   2HH1  ARG  47          2HH1      ARG  47  14.636  19.660 -10.943
  403   1HH2  ARG  47          1HH2      ARG  47  11.184  18.996 -10.646
  404   2HH2  ARG  47          2HH2      ARG  47  12.688  18.248 -11.134
  405    H    LYS  48           H        LYS  48   6.604  19.075  -7.314
  406    HA   LYS  48           HA       LYS  48   5.294  20.474  -5.272
  407   1HB   LYS  48          1HB       LYS  48   3.655  21.007  -6.792
  408   2HB   LYS  48          2HB       LYS  48   5.163  20.917  -7.724
  409   1HG   LYS  48          1HG       LYS  48   2.892  18.850  -7.649
  410   2HG   LYS  48          2HG       LYS  48   3.269  19.998  -8.954
  411   1HD   LYS  48          1HD       LYS  48   5.508  18.846  -9.295
  412   2HD   LYS  48          2HD       LYS  48   5.011  17.609  -8.098
  413   1HE   LYS  48          1HE       LYS  48   3.570  18.229 -10.763
  414   2HE   LYS  48          2HE       LYS  48   4.637  16.806 -10.419
  415   1HZ   LYS  48          1HZ       LYS  48   3.093  16.125  -8.706
  416   2HZ   LYS  48          2HZ       LYS  48   2.079  17.475  -9.036
  417   3HZ   LYS  48          3HZ       LYS  48   2.290  16.295 -10.185
  418    H    TYR  49           H        TYR  49   2.809  20.040  -4.963
  419    HA   TYR  49           HA       TYR  49   2.914  17.979  -3.107
  420   1HB   TYR  49          1HB       TYR  49   0.568  18.733  -2.512
  421   2HB   TYR  49          2HB       TYR  49   1.844  19.988  -2.520
  422    HD1  TYR  49           HD1      TYR  49   1.598  21.887  -3.760
  423    HD2  TYR  49           HD2      TYR  49  -0.869  18.549  -4.645
  424    HE1  TYR  49           HE1      TYR  49   0.344  23.246  -5.355
  425    HE2  TYR  49           HE2      TYR  49  -2.139  19.898  -6.232
  426    HH   TYR  49           HH       TYR  49  -2.333  21.887  -7.254
  427    H    LEU  50           H        LEU  50   1.190  16.481  -2.590
  428    HA   LEU  50           HA       LEU  50   0.968  14.668  -4.793
  429   1HB   LEU  50          1HB       LEU  50   1.780  14.292  -2.336
  430   2HB   LEU  50          2HB       LEU  50   0.054  14.294  -1.892
  431    HG   LEU  50           HG       LEU  50  -0.244  12.294  -3.488
  432   1HD1  LEU  50          1HD1      LEU  50   2.845  12.421  -3.567
  433   2HD1  LEU  50          2HD1      LEU  50   1.827  11.083  -4.205
  434   3HD1  LEU  50          3HD1      LEU  50   1.758  12.706  -4.982
  435   1HD2  LEU  50          1HD2      LEU  50   1.817  12.027  -1.213
  436   2HD2  LEU  50          2HD2      LEU  50   0.018  11.969  -1.054
  437   3HD2  LEU  50          3HD2      LEU  50   0.893  10.676  -1.960
  438    H    ARG  51           H        ARG  51  -1.023  13.311  -5.055
  439    HA   ARG  51           HA       ARG  51  -3.379  14.900  -5.267
  440   1HB   ARG  51          1HB       ARG  51  -3.023  11.873  -5.522
  441   2HB   ARG  51          2HB       ARG  51  -4.479  12.803  -5.983
  442   1HG   ARG  51          1HG       ARG  51  -3.134  14.068  -7.685
  443   2HG   ARG  51          2HG       ARG  51  -1.721  13.040  -7.292
  444   1HD   ARG  51          1HD       ARG  51  -3.133  10.984  -7.954
  445   2HD   ARG  51          2HD       ARG  51  -4.420  12.139  -8.505
  446    HE   ARG  51           HE       ARG  51  -2.090  13.113  -9.716
  447   1HH1  ARG  51          1HH1      ARG  51  -4.108  10.153  -9.966
  448   2HH1  ARG  51          2HH1      ARG  51  -3.615   9.887 -11.606
  449   1HH2  ARG  51          1HH2      ARG  51  -1.494  12.676 -11.885
  450   2HH2  ARG  51          2HH2      ARG  51  -2.213  11.359 -12.709
  451    H    SER  52           H        SER  52  -5.457  14.310  -4.320
  452    HA   SER  52           HA       SER  52  -5.227  14.228  -1.537
  453   1HB   SER  52          1HB       SER  52  -7.757  13.964  -3.232
  454   2HB   SER  52          2HB       SER  52  -7.660  14.460  -1.505
  455    HG   SER  52           HG       SER  52  -7.802  16.239  -2.921
  456    H    VAL  53           H        VAL  53  -5.882  12.775   0.020
  457    HA   VAL  53           HA       VAL  53  -6.294  10.028  -0.916
  458    HB   VAL  53           HB       VAL  53  -5.561   9.302   1.225
  459   1HG1  VAL  53          1HG1      VAL  53  -3.924   9.625  -0.605
  460   2HG1  VAL  53          2HG1      VAL  53  -3.601  11.320  -0.040
  461   3HG1  VAL  53          3HG1      VAL  53  -3.189   9.912   1.007
  462   1HG2  VAL  53          1HG2      VAL  53  -6.317  11.219   2.678
  463   2HG2  VAL  53          2HG2      VAL  53  -4.588  10.824   2.901
  464   3HG2  VAL  53          3HG2      VAL  53  -5.034  12.259   1.935
  465    H    GLY  54           H        GLY  54  -7.676   8.672   0.353
  466   1HA   GLY  54          1HA       GLY  54 -10.075   8.631   0.459
  467   2HA   GLY  54          2HA       GLY  54  -9.999  10.103   1.493
  468    H    ASP  55           H        ASP  55 -11.126   9.076   3.222
  469    HA   ASP  55           HA       ASP  55  -9.362   7.430   4.825
  470   1HB   ASP  55          1HB       ASP  55 -10.466   9.514   5.747
  471   2HB   ASP  55          2HB       ASP  55 -12.053   8.686   5.581
  472    H    GLY  56           H        GLY  56  -9.421   5.387   4.279
  473   1HA   GLY  56          1HA       GLY  56 -12.014   4.005   4.175
  474   2HA   GLY  56          2HA       GLY  56 -10.368   3.304   4.353
  475    H    GLU  57           H        GLU  57  -9.438   5.044   2.035
  476    HA   GLU  57           HA       GLU  57 -10.839   3.904  -0.187
  477   1HB   GLU  57          1HB       GLU  57  -9.509   5.147  -1.600
  478   2HB   GLU  57          2HB       GLU  57  -9.778   6.175  -0.160
  479   1HG   GLU  57          1HG       GLU  57  -7.429   5.422   0.676
  480   2HG   GLU  57          2HG       GLU  57  -7.212   4.610  -0.915
  481    H    THR  58           H        THR  58  -9.860   2.592  -1.894
  482    HA   THR  58           HA       THR  58  -8.345   0.445  -0.713
  483    HB   THR  58           HB       THR  58  -9.197  -0.712  -2.847
  484    HG1  THR  58           HG1      THR  58 -10.965   0.195  -3.703
  485   1HG2  THR  58          1HG2      THR  58 -11.150   0.326  -0.681
  486   2HG2  THR  58          2HG2      THR  58 -11.395  -1.125  -1.727
  487   3HG2  THR  58          3HG2      THR  58 -10.049  -1.092  -0.522
  488    H    VAL  59           H        VAL  59  -6.889  -0.751  -1.984
  489    HA   VAL  59           HA       VAL  59  -5.683   0.539  -4.250
  490    HB   VAL  59           HB       VAL  59  -4.734   1.757  -2.382
  491   1HG1  VAL  59          1HG1      VAL  59  -4.957   0.064  -0.565
  492   2HG1  VAL  59          2HG1      VAL  59  -3.717  -0.975  -1.368
  493   3HG1  VAL  59          3HG1      VAL  59  -3.257   0.637  -0.731
  494   1HG2  VAL  59          1HG2      VAL  59  -3.355   1.342  -4.424
  495   2HG2  VAL  59          2HG2      VAL  59  -2.378   1.480  -2.917
  496   3HG2  VAL  59          3HG2      VAL  59  -2.654  -0.139  -3.646
  497    H    GLU  60           H        GLU  60  -4.633  -0.945  -5.613
  498    HA   GLU  60           HA       GLU  60  -4.403  -3.659  -4.579
  499   1HB   GLU  60          1HB       GLU  60  -3.794  -2.526  -7.359
  500   2HB   GLU  60          2HB       GLU  60  -3.641  -4.240  -6.894
  501   1HG   GLU  60          1HG       GLU  60  -6.011  -4.532  -6.576
  502   2HG   GLU  60          2HG       GLU  60  -6.344  -2.799  -6.988
  503    H    PHE  61           H        PHE  61  -2.668  -4.770  -4.370
  504    HA   PHE  61           HA       PHE  61  -0.074  -3.731  -5.098
  505   1HB   PHE  61          1HB       PHE  61   0.783  -3.958  -2.671
  506   2HB   PHE  61          2HB       PHE  61  -0.275  -2.551  -3.009
  507    HD1  PHE  61           HD1      PHE  61  -2.555  -2.500  -2.345
  508    HD2  PHE  61           HD2      PHE  61  -0.032  -5.695  -1.195
  509    HE1  PHE  61           HE1      PHE  61  -4.179  -3.130  -0.617
  510    HE2  PHE  61           HE2      PHE  61  -1.623  -6.286   0.616
  511    HZ   PHE  61           HZ       PHE  61  -3.695  -5.035   0.875
  512    H    ASP  62           H        ASP  62   1.674  -5.353  -4.408
  513    HA   ASP  62           HA       ASP  62   0.555  -8.071  -4.360
  514   1HB   ASP  62          1HB       ASP  62   3.403  -7.040  -4.911
  515   2HB   ASP  62          2HB       ASP  62   2.864  -8.750  -5.010
  516    H    VAL  63           H        VAL  63   0.969  -9.400  -2.446
  517    HA   VAL  63           HA       VAL  63   2.038  -7.933  -0.186
  518    HB   VAL  63           HB       VAL  63   0.552 -10.582  -0.406
  519   1HG1  VAL  63          1HG1      VAL  63   2.069 -10.267   1.709
  520   2HG1  VAL  63          2HG1      VAL  63   1.059  -8.811   2.080
  521   3HG1  VAL  63          3HG1      VAL  63   0.308 -10.438   2.041
  522   1HG2  VAL  63          1HG2      VAL  63  -0.897  -8.540  -0.972
  523   2HG2  VAL  63          2HG2      VAL  63  -1.364  -9.405   0.543
  524   3HG2  VAL  63          3HG2      VAL  63  -0.422  -7.878   0.658
  525    H    VAL  64           H        VAL  64   4.404  -8.182  -0.441
  526    HA   VAL  64           HA       VAL  64   5.188 -10.961  -1.071
  527    HB   VAL  64           HB       VAL  64   7.000  -9.738  -2.425
  528   1HG1  VAL  64          1HG1      VAL  64   4.063 -10.089  -3.320
  529   2HG1  VAL  64          2HG1      VAL  64   5.477  -9.938  -4.417
  530   3HG1  VAL  64          3HG1      VAL  64   5.349 -11.358  -3.323
  531   1HG2  VAL  64          1HG2      VAL  64   6.220  -7.384  -1.736
  532   2HG2  VAL  64          2HG2      VAL  64   6.245  -7.700  -3.516
  533   3HG2  VAL  64          3HG2      VAL  64   4.686  -7.709  -2.653
  534    H    GLU  65           H        GLU  65   5.653 -11.432   1.051
  535    HA   GLU  65           HA       GLU  65   8.469 -10.891   1.370
  536   1HB   GLU  65          1HB       GLU  65   7.479  -9.287   3.010
  537   2HB   GLU  65          2HB       GLU  65   6.626 -10.640   3.814
  538   1HG   GLU  65          1HG       GLU  65   8.816 -11.725   4.376
  539   2HG   GLU  65          2HG       GLU  65   9.692 -10.464   3.437
  540    H    GLY  66           H        GLY  66   5.827 -12.520   2.977
  541   1HA   GLY  66          1HA       GLY  66   7.115 -15.105   2.400
  542   2HA   GLY  66          2HA       GLY  66   5.419 -14.817   2.864
  543    H    GLU  67           H        GLU  67   8.501 -13.895   4.476
  544    HA   GLU  67           HA       GLU  67   8.132 -15.961   6.383
  545   1HB   GLU  67          1HB       GLU  67  10.172 -13.729   6.041
  546   2HB   GLU  67          2HB       GLU  67  10.235 -14.865   7.419
  547   1HG   GLU  67          1HG       GLU  67  10.336 -15.753   4.471
  548   2HG   GLU  67          2HG       GLU  67  11.750 -15.475   5.540
  549    H    LYS  68           H        LYS  68   8.902 -12.626   7.397
  550    HA   LYS  68           HA       LYS  68   7.659 -13.336   9.873
  551   1HB   LYS  68          1HB       LYS  68   8.740 -11.281  10.717
  552   2HB   LYS  68          2HB       LYS  68   9.857 -12.439   9.938
  553   1HG   LYS  68          1HG       LYS  68   9.925 -11.075   7.868
  554   2HG   LYS  68          2HG       LYS  68   8.728  -9.938   8.569
  555   1HD   LYS  68          1HD       LYS  68  10.312  -9.298  10.343
  556   2HD   LYS  68          2HD       LYS  68  11.485 -10.536   9.805
  557   1HE   LYS  68          1HE       LYS  68  12.075  -8.175   9.074
  558   2HE   LYS  68          2HE       LYS  68  11.913  -9.344   7.700
  559   1HZ   LYS  68          1HZ       LYS  68   9.623  -7.675   8.581
  560   2HZ   LYS  68          2HZ       LYS  68  10.779  -7.108   7.472
  561   3HZ   LYS  68          3HZ       LYS  68   9.899  -8.476   7.098
  562    H    GLY  69           H        GLY  69   6.892 -10.986   7.274
  563   1HA   GLY  69          1HA       GLY  69   5.008  -9.493   8.400
  564   2HA   GLY  69          2HA       GLY  69   4.202 -11.104   8.210
  565    H    ALA  70           H        ALA  70   4.239  -8.194   6.772
  566    HA   ALA  70           HA       ALA  70   4.620  -9.245   4.069
  567   1HB   ALA  70          1HB       ALA  70   2.338  -8.266   3.488
  568   2HB   ALA  70          2HB       ALA  70   2.233  -9.666   4.637
  569   3HB   ALA  70          3HB       ALA  70   2.074  -7.983   5.252
  570    H    GLU  71           H        GLU  71   5.438  -7.815   2.643
  571    HA   GLU  71           HA       GLU  71   5.036  -4.961   3.191
  572   1HB   GLU  71          1HB       GLU  71   7.062  -4.475   1.932
  573   2HB   GLU  71          2HB       GLU  71   7.390  -5.509   3.363
  574   1HG   GLU  71          1HG       GLU  71   7.679  -7.504   1.954
  575   2HG   GLU  71          2HG       GLU  71   7.234  -6.575   0.470
  576    H    ALA  72           H        ALA  72   5.688  -4.007   0.712
  577    HA   ALA  72           HA       ALA  72   3.728  -5.297  -1.075
  578   1HB   ALA  72          1HB       ALA  72   2.598  -3.563   0.298
  579   2HB   ALA  72          2HB       ALA  72   2.691  -3.095  -1.435
  580   3HB   ALA  72          3HB       ALA  72   3.829  -2.369  -0.226
  581    H    ALA  73           H        ALA  73   3.851  -4.713  -3.202
  582    HA   ALA  73           HA       ALA  73   5.942  -3.003  -4.206
  583   1HB   ALA  73          1HB       ALA  73   7.003  -5.303  -4.272
  584   2HB   ALA  73          2HB       ALA  73   5.527  -5.938  -5.077
  585   3HB   ALA  73          3HB       ALA  73   6.586  -4.756  -5.938
  586    H    ASN  74           H        ASN  74   5.337  -2.443  -6.461
  587    HA   ASN  74           HA       ASN  74   3.857  -1.547  -7.801
  588   1HB   ASN  74          1HB       ASN  74   2.653  -4.355  -7.709
  589   2HB   ASN  74          2HB       ASN  74   2.447  -3.158  -9.050
  590   1HD2  ASN  74          2HD2      ASN  74   4.215  -5.836  -8.117
  591   2HD2  ASN  74          1HD2      ASN  74   5.593  -5.586  -9.175
  592    H    VAL  75           H        VAL  75   3.096  -0.273  -5.803
  593    HA   VAL  75           HA       VAL  75   0.405  -0.972  -4.994
  594    HB   VAL  75           HB       VAL  75   2.288   1.183  -3.996
  595   1HG1  VAL  75          1HG1      VAL  75  -0.323  -0.049  -2.865
  596   2HG1  VAL  75          2HG1      VAL  75   0.771   1.068  -1.974
  597   3HG1  VAL  75          3HG1      VAL  75  -0.105   1.655  -3.432
  598   1HG2  VAL  75          1HG2      VAL  75   1.701  -1.693  -3.018
  599   2HG2  VAL  75          2HG2      VAL  75   3.259  -1.111  -3.696
  600   3HG2  VAL  75          3HG2      VAL  75   2.671  -0.470  -2.119
  601    H    THR  76           H        THR  76  -1.054  -0.419  -6.446
  602    HA   THR  76           HA       THR  76  -0.752   2.083  -7.914
  603    HB   THR  76           HB       THR  76  -2.461   1.180  -9.452
  604    HG1  THR  76           HG1      THR  76  -2.754  -1.031  -9.374
  605   1HG2  THR  76          1HG2      THR  76   0.023   1.095  -9.833
  606   2HG2  THR  76          2HG2      THR  76   0.078  -0.516  -9.021
  607   3HG2  THR  76          3HG2      THR  76  -0.845  -0.312 -10.562
  608    H    GLY  77           H        GLY  77  -3.777   0.615  -7.729
  609   1HA   GLY  77          1HA       GLY  77  -5.185   2.893  -7.487
  610   2HA   GLY  77          2HA       GLY  77  -4.993   2.308  -5.781
  611    HA   PRO  78           HA       PRO  78  -8.361  -0.338  -6.668
  612   1HB   PRO  78          1HB       PRO  78 -10.642   1.099  -7.234
  613   2HB   PRO  78          2HB       PRO  78  -9.792   1.267  -5.651
  614   1HG   PRO  78          1HG       PRO  78  -9.428   3.066  -8.124
  615   2HG   PRO  78          2HG       PRO  78  -9.856   3.581  -6.433
  616   1HD   PRO  78          1HD       PRO  78  -7.245   3.563  -7.337
  617   2HD   PRO  78          2HD       PRO  78  -7.644   3.046  -5.627
  618    H    GLY  79           H        GLY  79  -9.987  -1.216  -8.260
  619   1HA   GLY  79          1HA       GLY  79  -9.073  -2.111 -10.464
  620   2HA   GLY  79          2HA       GLY  79  -9.503  -0.447 -11.014

  No H/Q in entry =         620