*HEADER   PHOTORECEPTOR                           06-FEB-98   3PHY    
*TITLE    PHOTOACTIVE YELLOW PROTEIN, DARK STATE (UNBLEACHED),        
*TITLE   2 SOLUTION STRUCTURE, NMR, 26 STRUCTURES                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN;                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: PYP                                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ECTOTHIORHODOSPIRA HALOPHILA;         
*SOURCE  3 STRAIN: BN9626                                             
*KEYWDS   PHOTORECEPTOR, LIGHT SENSOR FOR NEGATIVE PHOTOTAXIS         
*EXPDTA   NMR, 26 STRUCTURES                                          
*AUTHOR   P.DUX,G.RUBINSTENN,G.W.VUISTER,R.BOELENS,F.A.A.MULDER,      
*AUTHOR  2 K.HARD,W.D.HOFF,A.KROON,W.CRIELAARD,K.J.HELLINGWERF,       
*AUTHOR  3 R.KAPTEIN                                                  
*REVDAT  1   27-MAY-98 3PHY    0                                      
 
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assign (resid  28 and name HB*)   (resid  28 and name HA) 3.10 1.30 0.50
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assign (resid  28 and name HN)   (resid  27 and name HN) 3.10 1.30 0.50
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assign (resid  30 and name HN)   (resid  29 and name HA*) 4.10 2.30 0.50
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assign (resid  32 and name HG*)   (resid  32 and name HN) 4.10 2.30 0.50
assign (resid  32 and name HN)   (resid  31 and name HG1*) 4.10 2.30 0.50
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assign (resid  33 and name HG)   (resid  33 and name HA) 3.10 1.30 0.50
assign (resid  33 and name HG)   (resid  33 and name HN) 3.10 1.30 0.50
assign (resid  33 and name HN)   (resid  32 and name HA) 3.10 1.30 0.50
assign (resid  34 and name HA)   (resid  34 and name HN) 3.10 1.30 0.50
assign (resid  34 and name HB*)   (resid  34 and name HA) 3.10 1.30 0.50
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assign (resid  34 and name HN)   (resid  33 and name HA) 2.10 0.30 0.50
assign (resid  34 and name HN)   (resid  33 and name HB*) 3.30 1.50 0.50
assign (resid  35 and name HA*)   (resid  35 and name HN) 3.10 1.30 0.50
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assign (resid  35 and name HN)   (resid  34 and name HB*) 3.10 1.30 0.50
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assign (resid  36 and name HN)   (resid  35 and name HA*) 4.10 2.30 0.50
assign (resid  36 and name HN)   (resid  35 and name HN) 3.10 1.30 0.50
assign (resid  37 and name HA1)   (resid  33 and name HD1*) 4.30 2.50 0.50
assign (resid  37 and name HA2)   (resid  37 and name HN) 2.10 0.30 0.50
assign (resid  37 and name HA2)   (resid  33 and name HD1*) 3.40 1.60 0.50
assign (resid  37 and name HA2)   (resid  33 and name HD2*) 3.40 1.60 0.50
assign (resid  37 and name HN)   (resid  36 and name HA) 4.00 2.20 0.50
assign (resid  37 and name HN)   (resid  36 and name HB*) 4.10 2.30 0.50
assign (resid  37 and name HN)   (resid  36 and name HN) 2.10 0.30 0.50
assign (resid  37 and name HN)   (resid  35 and name HA*) 5.50 3.70 0.50
assign (resid  38 and name HA)   (resid  38 and name HN) 3.10 1.30 0.50
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assign (resid  38 and name HN)   (resid  34 and name HN) 3.10 1.30 0.50
assign (resid  38 and name HN)   (resid  36 and name HB*) 3.30 1.50 0.50
assign (resid  38 and name HN)   (resid  36 and name HN) 3.10 1.30 0.50
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assign (resid  39 and name HA)   (resid  34 and name HN) 4.50 2.70 0.50
assign (resid  39 and name HA)   (resid  32 and name HN) 4.50 2.70 0.50
assign (resid  39 and name HA)   (resid  39 and name HN) 3.10 1.30 0.50
assign (resid  39 and name HA)   (resid  33 and name HA) 2.10 0.30 0.50
assign (resid  39 and name HA)   (resid  33 and name HD2*) 3.40 1.60 0.50
assign (resid  39 and name HB)   (resid  39 and name HN) 4.00 2.20 0.50
assign (resid  39 and name HG1*)   (resid  39 and name HA) 4.10 2.30 0.50
assign (resid  39 and name HN)   (resid  38 and name HA) 2.10 0.30 0.50
assign (resid  39 and name HN)   (resid  38 and name HB*) 3.10 1.30 0.50
assign (resid  40 and name HA)   (resid  40 and name HN) 3.10 1.30 0.50
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assign (resid  40 and name HD1*)   (resid  34 and name HA) 4.30 2.50 0.50
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assign (resid  40 and name HD1*)   (resid  33 and name HN) 4.30 2.50 0.50
assign (resid  40 and name HD1*)   (resid  40 and name HN) 4.30 2.50 0.50
assign (resid  40 and name HD2*)   (resid  33 and name HN) 4.30 2.50 0.50
assign (resid  40 and name HD2*)   (resid  40 and name HN) 4.30 2.50 0.50
assign (resid  40 and name HG)   (resid  34 and name HN) 3.10 1.30 0.50
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assign (resid  40 and name HG)   (resid  40 and name HA) 3.10 1.30 0.50
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assign (resid  40 and name HN)   (resid  34 and name HN) 4.50 2.70 0.50
assign (resid  40 and name HN)   (resid  32 and name HN) 4.50 2.70 0.50
assign (resid  40 and name HN)   (resid  39 and name HA) 2.10 0.30 0.50
assign (resid  40 and name HN)   (resid  39 and name HG1*) 4.10 2.30 0.50
assign (resid  40 and name HN)   (resid  33 and name HA) 3.10 1.30 0.50
assign (resid  40 and name HN)   (resid  33 and name HD2*) 4.30 2.50 0.50
assign (resid  41 and name HA)   (resid  41 and name HN) 3.10 1.30 0.50
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assign (resid  41 and name HE21)   (resid  32 and name HG*) 5.50 3.70 0.50
assign (resid  41 and name HE21)   (resid  39 and name HG1*) 5.50 3.70 0.50
assign (resid  41 and name HE22)   (resid  32 and name HG*) 5.50 3.70 0.50
assign (resid  41 and name HE22)   (resid  39 and name HG1*) 5.50 3.70 0.50
assign (resid  41 and name HG*)   (resid  41 and name HA) 4.10 2.30 0.50
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assign (resid  41 and name HG*)   (resid  41 and name HE22) 5.50 3.70 0.50
assign (resid  41 and name HG*)   (resid  41 and name HN) 5.00 3.20 0.50
assign (resid  41 and name HN)   (resid  32 and name HN) 3.10 1.30 0.50
assign (resid  41 and name HN)   (resid  39 and name HA) 3.10 1.30 0.50
assign (resid  41 and name HN)   (resid  39 and name HG1*) 4.10 2.30 0.50
assign (resid  41 and name HN)   (resid  33 and name HA) 4.50 2.70 0.50
assign (resid  41 and name HN)   (resid  40 and name HA) 4.00 2.20 0.50
assign (resid  41 and name HN)   (resid  40 and name HB*) 3.30 1.50 0.50
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assign (resid  42 and name HA)   (resid  42 and name HD*) 5.50 3.70 0.50
assign (resid  42 and name HA)   (resid  42 and name HN) 4.00 2.20 0.50
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assign (resid  42 and name HB1)   (resid  42 and name HA) 3.10 1.30 0.50
assign (resid  42 and name HB1)   (resid  42 and name HN) 4.00 2.20 0.50
assign (resid  42 and name HB2)   (resid  39 and name HG1*) 4.10 2.30 0.50
assign (resid  42 and name HB2)   (resid  42 and name HD*) 4.50 2.70 0.50
assign (resid  42 and name HB2)   (resid  42 and name HN) 4.00 2.20 0.50
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assign (resid  42 and name HN)   (resid  41 and name HA) 2.10 0.30 0.50
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assign (resid  42 and name HN)   (resid  41 and name HG*) 5.00 3.20 0.50
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assign (resid  43 and name HD22)   (resid  30 and name HN) 3.10 1.30 0.50
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assign (resid  43 and name HN)   (resid  42 and name HA) 4.00 2.20 0.50
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assign (resid  44 and name HN)   (resid  43 and name HA) 2.10 0.30 0.50
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assign (resid  56 and name HG*)   (resid  56 and name HA) 4.10 2.30 0.50
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assign (resid  56 and name HG*)   (resid  56 and name HE22) 5.50 3.70 0.50
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assign (resid  56 and name HN)   (resid  53 and name HB*) 4.10 2.30 0.50
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assign (resid  59 and name HA1)   (resid  59 and name HN) 3.10 1.30 0.50
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assign (resid  59 and name HN)   (resid  58 and name HA) 2.10 0.30 0.50
assign (resid  59 and name HN)   (resid  58 and name HG1*) 3.30 1.50 0.50
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assign (resid  60 and name HG*)   (resid  57 and name HG1*) 4.40 2.60 0.50
assign (resid  60 and name HG*)   (resid  57 and name HN) 5.00 3.20 0.50
assign (resid  60 and name HN)   (resid  59 and name HA1) 3.10 1.30 0.50
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assign (resid  60 and name HN)   (resid  58 and name HA) 3.10 1.30 0.50
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assign (resid  61 and name HB*)   (resid  61 and name HN) 3.10 1.30 0.50
assign (resid  61 and name HD21)   (resid  38 and name HB*) 5.50 3.70 0.50
assign (resid  61 and name HD21)   (resid  38 and name HN) 4.50 2.70 0.50
assign (resid  61 and name HD21)   (resid  60 and name HA) 4.50 2.70 0.50
assign (resid  61 and name HD22)   (resid  38 and name HA) 4.00 2.20 0.50
assign (resid  61 and name HD22)   (resid  38 and name HB*) 5.00 3.20 0.50
assign (resid  61 and name HD22)   (resid  38 and name HN) 4.00 2.20 0.50
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assign (resid  61 and name HN)   (resid  60 and name HB*) 4.10 2.30 0.50
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assign (resid  62 and name HA)   (resid  62 and name HN) 3.10 1.30 0.50
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assign (resid  62 and name HD*)   (resid  62 and name HN) 6.40 4.60 0.50
assign (resid  62 and name HN)   (resid  38 and name HA) 3.10 1.30 0.50
assign (resid  62 and name HN)   (resid  61 and name HA) 2.10 0.30 0.50
assign (resid  62 and name HN)   (resid  39 and name HG1*) 5.50 3.70 0.50
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assign (resid  66 and name HB)   (resid  66 and name HA) 3.10 1.30 0.50
assign (resid  66 and name HB)   (resid  66 and name HN) 2.10 0.30 0.50
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assign (resid  66 and name HG2*)   (resid  52 and name HE) 4.30 2.50 0.50
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assign (resid  66 and name HG2*)   (resid  66 and name HA) 3.40 1.60 0.50
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assign (resid   108 and name    C) (resid   109 and name N)
       (resid   109 and name   CA) (resid   109 and name C)  1.0  -120.0   40.0 2
assign (resid   109 and name    C) (resid   110 and name N)
       (resid   110 and name   CA) (resid   110 and name C)  1.0  -120.0   50.0 2
assign (resid   117 and name    C) (resid   118 and name N)
       (resid   118 and name   CA) (resid   118 and name C)  1.0  -120.0   40.0 2
assign (resid   118 and name    C) (resid   119 and name N)
       (resid   119 and name   CA) (resid   119 and name C)  1.0  -120.0   40.0 2
assign (resid   119 and name    C) (resid   120 and name N)
       (resid   120 and name   CA) (resid   120 and name C)  1.0  -120.0   40.0 2
assign (resid   120 and name    C) (resid   121 and name N)
       (resid   121 and name   CA) (resid   121 and name C)  1.0  -120.0   40.0 2
assign (resid   121 and name    C) (resid   122 and name N)
       (resid   122 and name   CA) (resid   122 and name C)  1.0  -120.0   40.0 2
assign (resid   122 and name    C) (resid   123 and name N)
       (resid   123 and name   CA) (resid   123 and name C)  1.0  -120.0   40.0 2
assign (resid   124 and name    C) (resid   125 and name N)
       (resid   125 and name   CA) (resid   125 and name C)  1.0  -120.0   40.0 2
assign (resid   124 and name    C) (resid   125 and name N)
       (resid   125 and name   CA) (resid   125 and name C)  1.0  -120.0   40.0 2
assign (resid    24 and name    C) (resid    25 and name N)
       (resid    25 and name   CA) (resid    25 and name C)  1.0   -90.0   10.0 2
assign (resid    36 and name    C) (resid    37 and name N)
       (resid    37 and name   CA) (resid    37 and name C)  1.0    90.0   20.0 2
assign (resid    46 and name    C) (resid    47 and name N)
       (resid    47 and name   CA) (resid    47 and name C)  1.0   -60.0   10.0 2
assign (resid    50 and name    C) (resid    51 and name N)
       (resid    51 and name   CA) (resid    51 and name C)  1.0    90.0   10.0 2
assign (resid    58 and name    C) (resid    59 and name N)
       (resid    59 and name   CA) (resid    59 and name C)  1.0    90.0   10.0 2
assign (resid    76 and name    C) (resid    77 and name N)
       (resid    77 and name   CA) (resid    77 and name C)  1.0   -50.0   20.0 2
assign (resid    81 and name    C) (resid    82 and name N)
       (resid    82 and name   CA) (resid    82 and name C)  1.0   -65.0    5.0 2
assign (resid    85 and name    C) (resid    86 and name N)
       (resid    86 and name   CA) (resid    86 and name C)  1.0    90.0   10.0 2
assign (resid    37 and name    N) (resid    37 and name CA)
       (resid    37 and name    C) (resid    38 and name N)  1.0    17.5   10.0 2
assign (resid    47 and name    N) (resid    47 and name CA)
       (resid    47 and name    C) (resid    48 and name N)  1.0   -25.0   10.0 2
assign (resid    51 and name    N) (resid    51 and name CA)
       (resid    51 and name    C) (resid    52 and name N)  1.0   -12.0    8.0 2
assign (resid    59 and name    N) (resid    59 and name CA)
       (resid    59 and name    C) (resid    60 and name N)  1.0   -20.0   10.0 2
assign (resid    77 and name    N) (resid    77 and name CA)
       (resid    77 and name    C) (resid    78 and name N)  1.0   -57.5   20.0 2
assign (resid    82 and name    N) (resid    82 and name CA)
       (resid    82 and name    C) (resid    83 and name N)  1.0   -58.0   18.0 2
assign (resid    86 and name    N) (resid    86 and name CA)
       (resid    86 and name    C) (resid    87 and name N)  1.0    25.0   10.0 2
assign (resid    69 and name    N) (resid    69 and name CA)
       (resid    69 and name   CB) (resid    69 and name SG) 1.0    80.0   40.0 2
assign (resid    42 and name    N) (resid    42 and name CA)
       (resid    42 and name   CB) (resid    42 and name CG) 1.0   180.0   40.0 2
assign (resid    42 and name   CA) (resid    42 and name CB)
       (resid    42 and name   CG) (resid    42 and name CD1) 1.0   80.0   40.0 2
assign (resid    46 and name    N) (resid    46 and name CA)
       (resid    46 and name   CB) (resid    46 and name CG) 1.0    60.0   40.0 2
assign (resid    52 and name    N) (resid    52 and name CA)
       (resid    52 and name   CB) (resid    52 and name CG) 1.0   -60.0   40.0 2
assign (resid    62 and name   CA) (resid    62 and name CB)
       (resid    62 and name   CG) (resid    62 and name CD1) 1.0   75.0   40.0 2
assign (resid    92 and name   CA) (resid    92 and name CB)
       (resid    92 and name   CG) (resid    92 and name CD1) 1.0   90.0   40.0 2
assign (resid    94 and name   CA) (resid    94 and name CB)
       (resid    94 and name   CG) (resid    94 and name CD1) 1.0   85.0   40.0 2
assign (resid    52 and name   CB) (resid    52 and name CG)
       (resid    52 and name   CD) (resid    52 and name NE) 1.0    0.0  120.0 2
assign (resid    52 and name   CG) (resid    52 and name CD)
       (resid    52 and name   NE) (resid    52 and name CZ) 1.0  180.0  120.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H2       MET   1  22.546  -3.534  12.503
    2   2H    MET   1           H1       MET   1  23.134  -2.091  11.825
    3   3H    MET   1           H3       MET   1  22.119  -2.038  13.184
    4    HA   MET   1           HA       MET   1  20.831  -1.444  11.278
    5   1HB   MET   1          1HB       MET   1  22.494  -3.453  10.064
    6   2HB   MET   1          2HB       MET   1  20.800  -3.879   9.814
    7   1HG   MET   1          2HG       MET   1  21.681  -1.043   9.368
    8   2HG   MET   1          1HG       MET   1  22.000  -2.253   8.125
    9   1HE   MET   1          1HE       MET   1  20.708  -1.024   6.433
   10   2HE   MET   1          3HE       MET   1  19.008  -0.547   6.518
   11   3HE   MET   1          2HE       MET   1  20.209   0.275   7.512
   12    H    GLU   2           H        GLU   2  18.617  -2.201  11.055
   13    HA   GLU   2           HA       GLU   2  17.958  -4.380  12.997
   14   1HB   GLU   2          1HB       GLU   2  15.828  -3.215  13.380
   15   2HB   GLU   2          2HB       GLU   2  17.182  -2.131  13.700
   16   1HG   GLU   2          1HG       GLU   2  16.467  -1.983  10.911
   17   2HG   GLU   2          2HG       GLU   2  15.036  -1.708  11.905
   18    H    HIS   3           H        HIS   3  15.422  -4.987  12.381
   19    HA   HIS   3           HA       HIS   3  15.606  -6.552  10.015
   20   1HB   HIS   3          1HB       HIS   3  13.712  -6.140  12.101
   21   2HB   HIS   3          2HB       HIS   3  12.856  -5.935  10.573
   22    HD1  HIS   3           HD1      HIS   3  14.514  -8.488  12.707
   23    HD2  HIS   3           HD2      HIS   3  12.940  -8.268   8.853
   24    HE1  HIS   3           HE1      HIS   3  14.306 -10.874  11.880
   25    H    VAL   4           H        VAL   4  13.489  -6.165   8.390
   26    HA   VAL   4           HA       VAL   4  14.266  -4.066   6.673
   27    HB   VAL   4           HB       VAL   4  11.511  -5.319   6.886
   28   1HG1  VAL   4          2HG1      VAL   4  12.728  -3.366   5.105
   29   2HG1  VAL   4          1HG1      VAL   4  12.191  -4.794   4.222
   30   3HG1  VAL   4          3HG1      VAL   4  11.046  -3.884   5.206
   31   1HG2  VAL   4          1HG2      VAL   4  14.096  -6.226   5.628
   32   2HG2  VAL   4          3HG2      VAL   4  12.969  -7.151   6.620
   33   3HG2  VAL   4          2HG2      VAL   4  12.548  -6.739   4.958
   34    H    ALA   5           H        ALA   5  13.656  -1.956   6.512
   35    HA   ALA   5           HA       ALA   5  12.299  -0.743   8.826
   36   1HB   ALA   5          2HB       ALA   5  13.865   0.233   6.470
   37   2HB   ALA   5          1HB       ALA   5  12.761   1.360   7.259
   38   3HB   ALA   5          3HB       ALA   5  14.067   0.614   8.180
   39    H    PHE   6           H        PHE   6  10.224   0.219   8.752
   40    HA   PHE   6           HA       PHE   6   8.420  -0.649   6.705
   41   1HB   PHE   6          1HB       PHE   6   7.942   0.380   9.115
   42   2HB   PHE   6          2HB       PHE   6   7.807   1.871   8.182
   43    HD1  PHE   6           HD2      PHE   6   6.924  -0.053   5.631
   44    HD2  PHE   6           HD1      PHE   6   5.475   0.723   9.613
   45    HE1  PHE   6           HE2      PHE   6   4.648  -0.723   4.939
   46    HE2  PHE   6           HE1      PHE   6   3.199   0.048   8.897
   47    HZ   PHE   6           HZ       PHE   6   2.801  -0.673   6.563
   48    H    GLY   7           H        GLY   7   9.526   2.709   7.369
   49   1HA   GLY   7          1HA       GLY   7   8.775   3.799   4.859
   50   2HA   GLY   7          2HA       GLY   7  10.115   4.412   5.841
   51    H    SER   8           H        SER   8  11.393   1.756   5.850
   52    HA   SER   8           HA       SER   8  13.181   0.784   4.708
   53   1HB   SER   8          1HB       SER   8  10.689   0.210   3.516
   54   2HB   SER   8          2HB       SER   8  11.823   0.460   2.190
   55    HG   SER   8           HG       SER   8  12.915  -1.254   2.792
   56    H    GLU   9           H        GLU   9  13.932   0.638   2.189
   57    HA   GLU   9           HA       GLU   9  15.534   2.888   1.689
   58   1HB   GLU   9          1HB       GLU   9  15.319   0.374   0.707
   59   2HB   GLU   9          2HB       GLU   9  14.624   1.277  -0.637
   60   1HG   GLU   9          1HG       GLU   9  16.612   2.664  -0.813
   61   2HG   GLU   9          2HG       GLU   9  17.294   1.942   0.644
   62    H    ASP  10           H        ASP  10  14.023   4.767   1.843
   63    HA   ASP  10           HA       ASP  10  12.179   6.123   1.032
   64   1HB   ASP  10          1HB       ASP  10  14.230   6.054  -1.200
   65   2HB   ASP  10          2HB       ASP  10  13.057   7.341  -0.915
   66    H    ILE  11           H        ILE  11  10.630   4.257   0.730
   67    HA   ILE  11           HA       ILE  11  10.380   2.772  -1.608
   68    HB   ILE  11           HB       ILE  11   7.890   3.751  -0.488
   69   1HG1  ILE  11          1HG1      ILE  11   9.185   3.608   1.592
   70   2HG1  ILE  11          2HG1      ILE  11   8.009   2.307   1.496
   71   1HG2  ILE  11          3HG2      ILE  11   8.420   1.867  -2.182
   72   2HG2  ILE  11          2HG2      ILE  11   8.791   0.930  -0.742
   73   3HG2  ILE  11          1HG2      ILE  11   7.175   1.598  -0.962
   74   1HD1  ILE  11          1HD1      ILE  11  10.078   1.096   0.282
   75   2HD1  ILE  11          3HD1      ILE  11  10.962   2.177   1.359
   76   3HD1  ILE  11          2HD1      ILE  11   9.798   1.029   2.020
   77    H    GLU  12           H        GLU  12   8.338   5.586  -0.889
   78    HA   GLU  12           HA       GLU  12   7.067   5.993  -3.210
   79   1HB   GLU  12          1HB       GLU  12   7.245   8.471  -2.855
   80   2HB   GLU  12          2HB       GLU  12   6.824   7.573  -1.396
   81   1HG   GLU  12          1HG       GLU  12   9.283   7.559  -0.804
   82   2HG   GLU  12          2HG       GLU  12   9.546   8.666  -2.152
   83    H    ASN  13           H        ASN  13  10.462   7.096  -2.807
   84    HA   ASN  13           HA       ASN  13  10.686   8.154  -5.464
   85   1HB   ASN  13          1HB       ASN  13  12.365   7.946  -3.233
   86   2HB   ASN  13          2HB       ASN  13  13.169   6.989  -4.478
   87   1HD2  ASN  13          2HD2      ASN  13  14.496  10.065  -5.641
   88   2HD2  ASN  13          1HD2      ASN  13  14.839   8.571  -4.912
   89    H    THR  14           H        THR  14  11.561   4.979  -4.111
   90    HA   THR  14           HA       THR  14  12.406   3.844  -6.621
   91    HB   THR  14           HB       THR  14  11.567   2.653  -3.964
   92    HG1  THR  14           HG1      THR  14  13.802   2.211  -3.891
   93   1HG2  THR  14          1HG2      THR  14  12.042   1.324  -6.570
   94   2HG2  THR  14          3HG2      THR  14  12.899   0.632  -5.196
   95   3HG2  THR  14          2HG2      THR  14  11.141   0.759  -5.163
   96    H    LEU  15           H        LEU  15   9.292   4.544  -5.376
   97    HA   LEU  15           HA       LEU  15   8.033   2.403  -6.975
   98   1HB   LEU  15          1HB       LEU  15   6.745   4.484  -5.182
   99   2HB   LEU  15          2HB       LEU  15   5.959   3.064  -5.870
  100    HG   LEU  15           HG       LEU  15   8.394   2.810  -4.127
  101   1HD1  LEU  15          1HD1      LEU  15   5.657   3.578  -3.404
  102   2HD1  LEU  15          3HD1      LEU  15   6.239   2.152  -2.549
  103   3HD1  LEU  15          2HD1      LEU  15   7.134   3.664  -2.448
  104   1HD2  LEU  15          1HD2      LEU  15   7.021   0.993  -5.648
  105   2HD2  LEU  15          3HD2      LEU  15   7.959   0.584  -4.212
  106   3HD2  LEU  15          2HD2      LEU  15   6.218   0.832  -4.086
  107    H    ALA  16           H        ALA  16   8.889   5.716  -7.222
  108    HA   ALA  16           HA       ALA  16   6.841   6.301  -9.262
  109   1HB   ALA  16          1HB       ALA  16   7.691   8.048  -7.639
  110   2HB   ALA  16          3HB       ALA  16   9.246   7.967  -8.465
  111   3HB   ALA  16          2HB       ALA  16   7.813   8.514  -9.335
  112    H    LYS  17           H        LYS  17  10.167   5.275  -9.006
  113    HA   LYS  17           HA       LYS  17  10.321   5.230 -11.991
  114   1HB   LYS  17          1HB       LYS  17  11.905   6.809 -10.536
  115   2HB   LYS  17          2HB       LYS  17  12.818   5.311 -10.352
  116   1HG   LYS  17          1HG       LYS  17  13.004   5.055 -12.753
  117   2HG   LYS  17          2HG       LYS  17  11.922   6.422 -13.026
  118   1HD   LYS  17          1HD       LYS  17  14.229   7.051 -11.308
  119   2HD   LYS  17          2HD       LYS  17  14.665   6.594 -12.955
  120   1HE   LYS  17          1HE       LYS  17  14.069   8.647 -13.654
  121   2HE   LYS  17          2HE       LYS  17  12.413   8.312 -13.150
  122   1HZ   LYS  17          2HZ       LYS  17  14.382   9.084 -11.118
  123   2HZ   LYS  17          1HZ       LYS  17  13.736  10.290 -12.125
  124   3HZ   LYS  17          3HZ       LYS  17  12.705   9.355 -11.156
  125    H    MET  18           H        MET  18  10.044   3.322  -9.275
  126    HA   MET  18           HA       MET  18  10.349   1.020  -8.952
  127   1HB   MET  18          1HB       MET  18  10.054   1.417 -11.760
  128   2HB   MET  18          2HB       MET  18  11.316   0.210 -11.512
  129   1HG   MET  18          2HG       MET  18   9.403  -1.121 -11.469
  130   2HG   MET  18          1HG       MET  18   9.617  -0.771  -9.755
  131   1HE   MET  18          3HE       MET  18   8.326   0.343  -8.353
  132   2HE   MET  18          2HE       MET  18   8.571   1.961  -9.001
  133   3HE   MET  18          1HE       MET  18   6.939   1.399  -8.646
  134    H    ASP  19           H        ASP  19  12.102  -0.595  -8.778
  135    HA   ASP  19           HA       ASP  19  14.798   0.676  -9.039
  136   1HB   ASP  19          1HB       ASP  19  13.488  -0.318  -6.756
  137   2HB   ASP  19          2HB       ASP  19  14.700  -1.529  -7.158
  138    H    ASP  20           H        ASP  20  16.133  -1.849  -8.352
  139    HA   ASP  20           HA       ASP  20  16.615  -2.933 -10.874
  140   1HB   ASP  20          1HB       ASP  20  17.200  -3.687  -8.136
  141   2HB   ASP  20          2HB       ASP  20  16.892  -5.112  -9.130
  142    H    GLY  21           H        GLY  21  15.034  -5.094  -8.563
  143   1HA   GLY  21          1HA       GLY  21  13.324  -6.090 -10.769
  144   2HA   GLY  21          2HA       GLY  21  13.495  -6.839  -9.175
  145    H    GLN  22           H        GLN  22  12.699  -3.490 -10.116
  146    HA   GLN  22           HA       GLN  22  10.976  -2.099  -9.413
  147   1HB   GLN  22          1HB       GLN  22   9.174  -4.459  -9.071
  148   2HB   GLN  22          2HB       GLN  22   8.842  -2.898  -9.812
  149   1HG   GLN  22          1HG       GLN  22  10.519  -5.124 -11.014
  150   2HG   GLN  22          2HG       GLN  22   8.903  -4.647 -11.530
  151   1HE2  GLN  22          2HE2      GLN  22  10.422  -2.500 -13.880
  152   2HE2  GLN  22          1HE2      GLN  22   9.362  -3.797 -13.608
  153    H    LEU  23           H        LEU  23  12.756  -3.503  -7.458
  154    HA   LEU  23           HA       LEU  23  12.880  -3.980  -5.148
  155   1HB   LEU  23          1HB       LEU  23  11.804  -1.375  -5.596
  156   2HB   LEU  23          2HB       LEU  23  10.971  -2.058  -4.202
  157    HG   LEU  23           HG       LEU  23  13.958  -1.701  -4.572
  158   1HD1  LEU  23          2HD1      LEU  23  11.852  -0.222  -3.277
  159   2HD1  LEU  23          1HD1      LEU  23  12.995  -0.797  -2.063
  160   3HD1  LEU  23          3HD1      LEU  23  13.562   0.186  -3.413
  161   1HD2  LEU  23          2HD2      LEU  23  12.484  -3.667  -2.976
  162   2HD2  LEU  23          1HD2      LEU  23  14.212  -3.569  -3.313
  163   3HD2  LEU  23          3HD2      LEU  23  13.518  -2.638  -1.987
  164    H    ASP  24           H        ASP  24  11.089  -5.723  -6.374
  165    HA   ASP  24           HA       ASP  24   8.609  -5.763  -4.782
  166   1HB   ASP  24          1HB       ASP  24   9.735  -7.376  -7.055
  167   2HB   ASP  24          2HB       ASP  24   8.408  -8.031  -6.095
  168    H    GLY  25           H        GLY  25  11.707  -6.557  -4.039
  169   1HA   GLY  25          1HA       GLY  25  11.014  -9.109  -2.681
  170   2HA   GLY  25          2HA       GLY  25  12.649  -8.493  -2.922
  171    H    LEU  26           H        LEU  26  10.084  -6.390  -1.755
  172    HA   LEU  26           HA       LEU  26  11.632  -5.914   0.685
  173   1HB   LEU  26          1HB       LEU  26   8.952  -4.758  -0.149
  174   2HB   LEU  26          2HB       LEU  26  10.015  -4.142   1.115
  175    HG   LEU  26           HG       LEU  26  11.183  -4.428  -1.614
  176   1HD1  LEU  26          3HD1      LEU  26   9.253  -2.214  -0.835
  177   2HD1  LEU  26          2HD1      LEU  26  10.250  -2.233  -2.291
  178   3HD1  LEU  26          1HD1      LEU  26   8.972  -3.431  -2.081
  179   1HD2  LEU  26          2HD2      LEU  26  11.601  -2.944   0.887
  180   2HD2  LEU  26          1HD2      LEU  26  12.764  -3.377  -0.366
  181   3HD2  LEU  26          3HD2      LEU  26  11.761  -1.937  -0.552
  182    H    ALA  27           H        ALA  27   9.836  -5.483   2.564
  183    HA   ALA  27           HA       ALA  27   8.471  -8.114   2.959
  184   1HB   ALA  27          2HB       ALA  27  10.386  -7.512   4.533
  185   2HB   ALA  27          1HB       ALA  27   9.363  -6.207   5.138
  186   3HB   ALA  27          3HB       ALA  27   8.851  -7.885   5.318
  187    H    PHE  28           H        PHE  28   7.949  -4.863   2.343
  188    HA   PHE  28           HA       PHE  28   5.221  -5.005   3.527
  189   1HB   PHE  28          1HB       PHE  28   5.370  -2.443   3.519
  190   2HB   PHE  28          2HB       PHE  28   6.361  -3.265   4.724
  191    HD1  PHE  28           HD2      PHE  28   8.819  -3.621   4.292
  192    HD2  PHE  28           HD1      PHE  28   6.371  -1.220   1.716
  193    HE1  PHE  28           HE2      PHE  28  10.860  -2.663   3.256
  194    HE2  PHE  28           HE1      PHE  28   8.407  -0.258   0.676
  195    HZ   PHE  28           HZ       PHE  28  10.669  -0.974   1.435
  196    H    GLY  29           H        GLY  29   3.772  -5.199   1.860
  197   1HA   GLY  29          1HA       GLY  29   4.398  -4.831  -0.877
  198   2HA   GLY  29          2HA       GLY  29   2.762  -4.828  -0.228
  199    H    ALA  30           H        ALA  30   4.245  -2.996  -2.239
  200    HA   ALA  30           HA       ALA  30   3.545  -0.468  -0.804
  201   1HB   ALA  30          2HB       ALA  30   5.676  -0.999  -2.882
  202   2HB   ALA  30          1HB       ALA  30   5.063   0.625  -2.576
  203   3HB   ALA  30          3HB       ALA  30   5.860  -0.271  -1.287
  204    H    ILE  31           H        ILE  31   1.614   0.242  -1.517
  205    HA   ILE  31           HA       ILE  31   0.962  -0.250  -4.387
  206    HB   ILE  31           HB       ILE  31  -1.333  -0.543  -3.798
  207   1HG1  ILE  31          1HG1      ILE  31  -1.848  -0.337  -1.197
  208   2HG1  ILE  31          2HG1      ILE  31  -0.499   0.795  -1.248
  209   1HG2  ILE  31          3HG2      ILE  31   0.411  -1.829  -1.677
  210   2HG2  ILE  31          2HG2      ILE  31  -1.229  -2.335  -2.068
  211   3HG2  ILE  31          1HG2      ILE  31   0.051  -2.490  -3.271
  212   1HD1  ILE  31          3HD1      ILE  31  -1.992   1.509  -3.469
  213   2HD1  ILE  31          2HD1      ILE  31  -3.225   1.100  -2.276
  214   3HD1  ILE  31          1HD1      ILE  31  -2.021   2.336  -1.911
  215    H    GLN  32           H        GLN  32  -0.103   1.448  -5.519
  216    HA   GLN  32           HA       GLN  32   0.078   4.113  -4.180
  217   1HB   GLN  32          1HB       GLN  32   1.114   3.141  -6.733
  218   2HB   GLN  32          2HB       GLN  32   0.073   4.549  -6.940
  219   1HG   GLN  32          1HG       GLN  32   1.379   5.796  -5.287
  220   2HG   GLN  32          2HG       GLN  32   2.396   4.384  -4.998
  221   1HE2  GLN  32          2HE2      GLN  32   4.267   4.782  -8.011
  222   2HE2  GLN  32          1HE2      GLN  32   3.843   3.693  -6.780
  223    H    LEU  33           H        LEU  33  -1.490   5.711  -5.382
  224    HA   LEU  33           HA       LEU  33  -3.887   4.375  -6.459
  225   1HB   LEU  33          1HB       LEU  33  -3.792   5.789  -3.789
  226   2HB   LEU  33          2HB       LEU  33  -5.287   5.720  -4.722
  227    HG   LEU  33           HG       LEU  33  -3.647   3.315  -3.865
  228   1HD1  LEU  33          1HD1      LEU  33  -6.106   4.646  -2.761
  229   2HD1  LEU  33          3HD1      LEU  33  -5.875   2.909  -2.562
  230   3HD1  LEU  33          2HD1      LEU  33  -4.693   4.038  -1.900
  231   1HD2  LEU  33          2HD2      LEU  33  -5.605   3.670  -5.919
  232   2HD2  LEU  33          1HD2      LEU  33  -4.833   2.173  -5.400
  233   3HD2  LEU  33          3HD2      LEU  33  -6.331   2.703  -4.637
  234    H    ASP  34           H        ASP  34  -5.242   5.896  -7.593
  235    HA   ASP  34           HA       ASP  34  -4.075   8.643  -7.801
  236   1HB   ASP  34          1HB       ASP  34  -4.850   6.701  -9.874
  237   2HB   ASP  34          2HB       ASP  34  -5.490   8.322 -10.129
  238    H    GLY  35           H        GLY  35  -5.406  10.263  -7.465
  239   1HA   GLY  35          1HA       GLY  35  -7.459  10.810  -6.072
  240   2HA   GLY  35          2HA       GLY  35  -7.552  11.439  -7.709
  241    H    ASP  36           H        ASP  36  -8.326   8.545  -5.841
  242    HA   ASP  36           HA       ASP  36 -11.051   8.362  -6.210
  243   1HB   ASP  36          1HB       ASP  36  -9.674   7.880  -8.739
  244   2HB   ASP  36          2HB       ASP  36 -10.633   6.483  -8.247
  245    H    GLY  37           H        GLY  37  -7.971   6.760  -6.120
  246   1HA   GLY  37          1HA       GLY  37  -7.491   5.084  -4.441
  247   2HA   GLY  37          2HA       GLY  37  -9.186   4.597  -4.498
  248    H    ASN  38           H        ASN  38  -7.561   5.293  -7.490
  249    HA   ASN  38           HA       ASN  38  -7.915   2.471  -8.294
  250   1HB   ASN  38          1HB       ASN  38  -6.652   4.608 -10.004
  251   2HB   ASN  38          2HB       ASN  38  -7.567   3.189 -10.512
  252   1HD2  ASN  38          2HD2      ASN  38 -10.729   4.761 -10.158
  253   2HD2  ASN  38          1HD2      ASN  38  -9.911   3.296 -10.413
  254    H    ILE  39           H        ILE  39  -6.300   1.022  -8.113
  255    HA   ILE  39           HA       ILE  39  -3.782   1.635  -6.999
  256    HB   ILE  39           HB       ILE  39  -5.151  -0.716  -7.856
  257   1HG1  ILE  39          1HG1      ILE  39  -2.566  -1.257  -6.673
  258   2HG1  ILE  39          2HG1      ILE  39  -3.327   0.120  -5.880
  259   1HG2  ILE  39          3HG2      ILE  39  -3.622  -0.555  -9.897
  260   2HG2  ILE  39          2HG2      ILE  39  -2.282  -0.846  -8.790
  261   3HG2  ILE  39          1HG2      ILE  39  -3.546  -2.060  -8.981
  262   1HD1  ILE  39          2HD1      ILE  39  -5.469  -1.402  -5.906
  263   2HD1  ILE  39          1HD1      ILE  39  -4.303  -2.712  -6.101
  264   3HD1  ILE  39          3HD1      ILE  39  -4.229  -1.668  -4.680
  265    H    LEU  40           H        LEU  40  -1.859   2.204  -7.788
  266    HA   LEU  40           HA       LEU  40  -1.621   2.659 -10.735
  267   1HB   LEU  40          1HB       LEU  40   0.278   3.853  -8.733
  268   2HB   LEU  40          2HB       LEU  40  -0.217   4.479 -10.304
  269    HG   LEU  40           HG       LEU  40  -1.977   4.353  -7.835
  270   1HD1  LEU  40          1HD1      LEU  40   0.053   6.155  -8.472
  271   2HD1  LEU  40          3HD1      LEU  40  -1.422   6.966  -8.999
  272   3HD1  LEU  40          2HD1      LEU  40  -1.260   6.427  -7.327
  273   1HD2  LEU  40          1HD2      LEU  40  -2.980   4.153 -10.239
  274   2HD2  LEU  40          3HD2      LEU  40  -3.676   5.333  -9.128
  275   3HD2  LEU  40          2HD2      LEU  40  -2.550   5.857 -10.380
  276    H    GLN  41           H        GLN  41  -0.266   1.214  -7.868
  277    HA   GLN  41           HA       GLN  41   1.283  -0.704  -9.420
  278   1HB   GLN  41          1HB       GLN  41   3.027   0.851  -9.491
  279   2HB   GLN  41          2HB       GLN  41   2.568   1.601  -7.971
  280   1HG   GLN  41          1HG       GLN  41   3.548  -1.232  -7.943
  281   2HG   GLN  41          2HG       GLN  41   4.716   0.065  -8.136
  282   1HE2  GLN  41          2HE2      GLN  41   2.679   0.890  -4.746
  283   2HE2  GLN  41          1HE2      GLN  41   1.959   1.061  -6.263
  284    H    TYR  42           H        TYR  42   2.127  -2.428  -7.848
  285    HA   TYR  42           HA       TYR  42   0.871  -2.245  -5.147
  286   1HB   TYR  42          1HB       TYR  42  -0.435  -3.536  -7.111
  287   2HB   TYR  42          2HB       TYR  42   0.634  -4.834  -6.605
  288    HD1  TYR  42           HD1      TYR  42  -1.821  -2.344  -5.286
  289    HD2  TYR  42           HD2      TYR  42   0.141  -6.116  -4.676
  290    HE1  TYR  42           HE1      TYR  42  -3.329  -2.824  -3.372
  291    HE2  TYR  42           HE2      TYR  42  -1.367  -6.584  -2.754
  292    HH   TYR  42           HH       TYR  42  -3.318  -5.967  -1.782
  293    H    ASN  43           H        ASN  43   3.002  -4.079  -7.316
  294    HA   ASN  43           HA       ASN  43   5.170  -4.867  -6.907
  295   1HB   ASN  43          1HB       ASN  43   6.332  -4.166  -5.092
  296   2HB   ASN  43          2HB       ASN  43   4.912  -3.187  -4.769
  297   1HD2  ASN  43          2HD2      ASN  43   5.976  -5.380  -1.810
  298   2HD2  ASN  43          1HD2      ASN  43   6.915  -4.474  -2.889
  299    H    ALA  44           H        ALA  44   6.118  -6.882  -5.665
  300    HA   ALA  44           HA       ALA  44   3.961  -8.905  -5.785
  301   1HB   ALA  44          1HB       ALA  44   6.616  -8.812  -6.691
  302   2HB   ALA  44          3HB       ALA  44   6.601 -10.006  -5.393
  303   3HB   ALA  44          2HB       ALA  44   5.512 -10.185  -6.769
  304    H    ALA  45           H        ALA  45   5.844  -7.367  -3.309
  305    HA   ALA  45           HA       ALA  45   6.078  -9.526  -1.475
  306   1HB   ALA  45          3HB       ALA  45   6.955  -7.068  -1.296
  307   2HB   ALA  45          2HB       ALA  45   5.406  -6.760  -0.511
  308   3HB   ALA  45          1HB       ALA  45   6.527  -7.934   0.179
  309    H    GLU  46           H        GLU  46   3.568  -6.982  -1.234
  310    HA   GLU  46           HA       GLU  46   1.895  -8.557   0.475
  311   1HB   GLU  46          1HB       GLU  46   0.104  -6.927  -0.172
  312   2HB   GLU  46          2HB       GLU  46   1.591  -6.157   0.348
  313   1HG   GLU  46          1HG       GLU  46   2.252  -6.025  -2.106
  314   2HG   GLU  46          2HG       GLU  46   0.606  -6.517  -2.478
  315    HE1  GLU  46           HE1      GLU  46  -0.867  -5.216  -0.822
  316    H    GLY  47           H        GLY  47   1.852  -7.971  -2.999
  317   1HA   GLY  47          1HA       GLY  47  -0.465  -9.533  -3.621
  318   2HA   GLY  47          2HA       GLY  47   0.856  -9.164  -4.748
  319    H    ASP  48           H        ASP  48   2.654 -10.533  -2.508
  320    HA   ASP  48           HA       ASP  48   2.474 -13.192  -3.776
  321   1HB   ASP  48          1HB       ASP  48   4.704 -12.254  -3.476
  322   2HB   ASP  48          2HB       ASP  48   4.420 -12.038  -1.750
  323    H    ILE  49           H        ILE  49   1.853 -11.657  -0.668
  324    HA   ILE  49           HA       ILE  49   1.434 -14.124   0.779
  325    HB   ILE  49           HB       ILE  49   1.522 -11.334   1.315
  326   1HG1  ILE  49          1HG1      ILE  49   1.404 -12.625   3.747
  327   2HG1  ILE  49          2HG1      ILE  49   1.936 -13.899   2.649
  328   1HG2  ILE  49          2HG2      ILE  49  -0.903 -12.721   2.466
  329   2HG2  ILE  49          1HG2      ILE  49  -0.214 -11.243   3.135
  330   3HG2  ILE  49          3HG2      ILE  49  -0.881 -11.244   1.502
  331   1HD1  ILE  49          1HD1      ILE  49   3.574 -12.038   1.755
  332   2HD1  ILE  49          3HD1      ILE  49   3.282 -11.305   3.332
  333   3HD1  ILE  49          2HD1      ILE  49   3.972 -12.925   3.227
  334    H    THR  50           H        THR  50  -0.688 -11.693  -0.639
  335    HA   THR  50           HA       THR  50  -3.019 -13.495  -0.274
  336    HB   THR  50           HB       THR  50  -3.828 -11.411   0.303
  337    HG1  THR  50           HG1      THR  50  -4.872 -12.213  -1.669
  338   1HG2  THR  50          1HG2      THR  50  -1.649 -10.414  -1.472
  339   2HG2  THR  50          3HG2      THR  50  -3.061  -9.393  -1.317
  340   3HG2  THR  50          2HG2      THR  50  -2.157  -9.839   0.120
  341    H    GLY  51           H        GLY  51  -1.001 -12.214  -2.841
  342   1HA   GLY  51          1HA       GLY  51  -0.793 -13.445  -4.935
  343   2HA   GLY  51          2HA       GLY  51  -2.438 -14.011  -4.699
  344    H    ARG  52           H        ARG  52  -2.618 -10.837  -3.896
  345    HA   ARG  52           HA       ARG  52  -4.216 -10.002  -6.006
  346   1HB   ARG  52          1HB       ARG  52  -2.514  -8.562  -4.021
  347   2HB   ARG  52          2HB       ARG  52  -3.163  -7.628  -5.372
  348   1HG   ARG  52          1HG       ARG  52  -5.282  -7.763  -4.596
  349   2HG   ARG  52          2HG       ARG  52  -5.104  -9.459  -4.156
  350   1HD   ARG  52          1HD       ARG  52  -4.822  -8.924  -2.028
  351   2HD   ARG  52          2HD       ARG  52  -3.475  -7.867  -2.429
  352    HE   ARG  52           HE       ARG  52  -5.066  -6.004  -2.595
  353   1HH1  ARG  52          1HH2      ARG  52  -6.743  -8.958  -2.220
  354   2HH1  ARG  52          2HH2      ARG  52  -7.962  -8.288  -1.190
  355   1HH2  ARG  52          2HH1      ARG  52  -6.504  -5.179  -0.976
  356   2HH2  ARG  52          1HH1      ARG  52  -7.839  -6.182  -0.513
  357    H    ASP  53           H        ASP  53  -0.753  -9.141  -5.726
  358    HA   ASP  53           HA       ASP  53   0.835  -8.752  -7.416
  359   1HB   ASP  53          1HB       ASP  53  -0.847 -10.754  -8.479
  360   2HB   ASP  53          2HB       ASP  53  -0.719  -9.526  -9.740
  361    HA   PRO  54           HA       PRO  54  -0.624  -4.866  -8.848
  362   1HB   PRO  54          1HB       PRO  54   1.380  -4.223 -10.621
  363   2HB   PRO  54          2HB       PRO  54   1.566  -4.151  -8.860
  364   1HG   PRO  54          1HG       PRO  54   2.641  -6.163 -10.780
  365   2HG   PRO  54          2HG       PRO  54   3.265  -5.680  -9.193
  366   1HD   PRO  54          1HD       PRO  54   1.788  -8.032  -9.751
  367   2HD   PRO  54          2HD       PRO  54   2.138  -7.375  -8.138
  368    H    LYS  55           H        LYS  55   0.646  -6.826 -11.582
  369    HA   LYS  55           HA       LYS  55  -0.850  -5.546 -13.611
  370   1HB   LYS  55          1HB       LYS  55  -0.493  -7.618 -14.924
  371   2HB   LYS  55          2HB       LYS  55   0.982  -7.103 -14.106
  372   1HG   LYS  55          1HG       LYS  55   0.747  -8.767 -12.414
  373   2HG   LYS  55          2HG       LYS  55  -0.918  -9.113 -12.885
  374   1HD   LYS  55          1HD       LYS  55   0.519  -9.515 -15.232
  375   2HD   LYS  55          2HD       LYS  55   1.573 -10.177 -13.981
  376   1HE   LYS  55          1HE       LYS  55  -0.218 -11.597 -13.152
  377   2HE   LYS  55          2HE       LYS  55  -1.367 -10.858 -14.267
  378   1HZ   LYS  55          3HZ       LYS  55   1.092 -12.202 -15.212
  379   2HZ   LYS  55          2HZ       LYS  55  -0.355 -13.054 -14.958
  380   3HZ   LYS  55          1HZ       LYS  55  -0.294 -11.800 -16.102
  381    H    GLN  56           H        GLN  56  -1.936  -7.682 -11.121
  382    HA   GLN  56           HA       GLN  56  -4.415  -8.299 -12.632
  383   1HB   GLN  56          1HB       GLN  56  -2.976  -9.856 -10.930
  384   2HB   GLN  56          2HB       GLN  56  -4.164  -9.181  -9.812
  385   1HG   GLN  56          1HG       GLN  56  -5.984 -10.078 -11.011
  386   2HG   GLN  56          2HG       GLN  56  -5.019 -10.322 -12.468
  387   1HE2  GLN  56          2HE2      GLN  56  -3.407 -13.294 -11.125
  388   2HE2  GLN  56          1HE2      GLN  56  -3.042 -11.912 -12.041
  389    H    VAL  57           H        VAL  57  -3.362  -6.665  -9.650
  390    HA   VAL  57           HA       VAL  57  -6.079  -5.690  -9.117
  391    HB   VAL  57           HB       VAL  57  -5.038  -4.491  -7.243
  392   1HG1  VAL  57          2HG1      VAL  57  -5.396  -7.135  -7.441
  393   2HG1  VAL  57          1HG1      VAL  57  -3.653  -7.126  -7.189
  394   3HG1  VAL  57          3HG1      VAL  57  -4.717  -6.391  -5.993
  395   1HG2  VAL  57          3HG2      VAL  57  -2.602  -5.075  -8.836
  396   2HG2  VAL  57          2HG2      VAL  57  -2.942  -3.723  -7.758
  397   3HG2  VAL  57          1HG2      VAL  57  -2.430  -5.273  -7.093
  398    H    ILE  58           H        ILE  58  -3.908  -4.867 -11.428
  399    HA   ILE  58           HA       ILE  58  -3.852  -2.006 -11.117
  400    HB   ILE  58           HB       ILE  58  -2.978  -4.002 -13.126
  401   1HG1  ILE  58          1HG1      ILE  58  -1.854  -1.277 -12.504
  402   2HG1  ILE  58          2HG1      ILE  58  -1.687  -2.619 -11.372
  403   1HG2  ILE  58          3HG2      ILE  58  -3.713  -1.181 -14.007
  404   2HG2  ILE  58          2HG2      ILE  58  -2.737  -2.312 -14.945
  405   3HG2  ILE  58          1HG2      ILE  58  -4.430  -2.674 -14.613
  406   1HD1  ILE  58          2HD1      ILE  58  -1.012  -3.276 -14.175
  407   2HD1  ILE  58          1HD1      ILE  58   0.072  -2.116 -13.407
  408   3HD1  ILE  58          3HD1      ILE  58  -0.171  -3.707 -12.686
  409    H    GLY  59           H        GLY  59  -5.474  -0.661 -11.421
  410   1HA   GLY  59          1HA       GLY  59  -7.362   0.255 -12.637
  411   2HA   GLY  59          2HA       GLY  59  -7.651  -1.346 -13.329
  412    H    LYS  60           H        LYS  60  -7.177  -2.516 -10.555
  413    HA   LYS  60           HA       LYS  60  -9.964  -2.412  -9.686
  414   1HB   LYS  60          1HB       LYS  60  -7.658  -3.720  -8.221
  415   2HB   LYS  60          2HB       LYS  60  -9.368  -4.141  -8.142
  416   1HG   LYS  60          1HG       LYS  60  -7.679  -4.379 -10.650
  417   2HG   LYS  60          2HG       LYS  60  -8.012  -5.717  -9.551
  418   1HD   LYS  60          1HD       LYS  60 -10.103  -5.999 -10.361
  419   2HD   LYS  60          2HD       LYS  60 -10.434  -4.266 -10.324
  420   1HE   LYS  60          1HE       LYS  60  -8.629  -4.422 -12.377
  421   2HE   LYS  60          2HE       LYS  60  -9.488  -5.953 -12.553
  422   1HZ   LYS  60          1HZ       LYS  60 -11.584  -4.693 -12.466
  423   2HZ   LYS  60          3HZ       LYS  60 -10.701  -3.246 -12.435
  424   3HZ   LYS  60          2HZ       LYS  60 -10.618  -4.261 -13.794
  425    H    ASN  61           H        ASN  61 -10.746  -1.109  -8.075
  426    HA   ASN  61           HA       ASN  61  -9.070   0.921  -6.894
  427   1HB   ASN  61          1HB       ASN  61 -11.858   0.357  -7.068
  428   2HB   ASN  61          2HB       ASN  61 -11.462   0.516  -5.357
  429   1HD2  ASN  61          2HD2      ASN  61 -10.881   3.763  -7.820
  430   2HD2  ASN  61          1HD2      ASN  61 -10.885   2.205  -8.494
  431    H    PHE  62           H        PHE  62  -7.762   0.686  -5.123
  432    HA   PHE  62           HA       PHE  62  -7.641  -1.843  -3.717
  433   1HB   PHE  62          1HB       PHE  62  -5.622  -0.497  -3.987
  434   2HB   PHE  62          2HB       PHE  62  -6.356   0.822  -3.075
  435    HD1  PHE  62           HD1      PHE  62  -5.348  -2.766  -2.815
  436    HD2  PHE  62           HD2      PHE  62  -6.279   0.864  -0.711
  437    HE1  PHE  62           HE1      PHE  62  -4.629  -3.814  -0.686
  438    HE2  PHE  62           HE2      PHE  62  -5.515  -0.173   1.405
  439    HZ   PHE  62           HZ       PHE  62  -4.728  -2.525   1.423
  440    H    PHE  63           H        PHE  63  -9.773   0.747  -3.381
  441    HA   PHE  63           HA       PHE  63  -9.989   0.380  -0.461
  442   1HB   PHE  63          1HB       PHE  63 -11.199   2.340  -2.399
  443   2HB   PHE  63          2HB       PHE  63 -11.743   2.225  -0.721
  444    HD1  PHE  63           HD1      PHE  63  -9.518   1.793   0.910
  445    HD2  PHE  63           HD2      PHE  63  -9.681   4.074  -2.717
  446    HE1  PHE  63           HE1      PHE  63  -7.544   3.094   1.646
  447    HE2  PHE  63           HE2      PHE  63  -7.705   5.388  -1.981
  448    HZ   PHE  63           HZ       PHE  63  -6.636   4.887   0.205
  449    H    LYS  64           H        LYS  64 -12.029  -0.069  -3.376
  450    HA   LYS  64           HA       LYS  64 -13.788  -1.769  -1.648
  451   1HB   LYS  64          1HB       LYS  64 -15.729  -0.989  -2.939
  452   2HB   LYS  64          2HB       LYS  64 -14.902   0.365  -2.170
  453   1HG   LYS  64          1HG       LYS  64 -14.238   1.259  -4.159
  454   2HG   LYS  64          2HG       LYS  64 -13.922  -0.321  -4.877
  455   1HD   LYS  64          1HD       LYS  64 -15.960  -0.386  -5.846
  456   2HD   LYS  64          2HD       LYS  64 -16.761   0.081  -4.345
  457   1HE   LYS  64          1HE       LYS  64 -17.038   1.740  -6.231
  458   2HE   LYS  64          2HE       LYS  64 -16.339   2.419  -4.760
  459   1HZ   LYS  64          2HZ       LYS  64 -14.478   1.316  -6.711
  460   2HZ   LYS  64          1HZ       LYS  64 -15.260   2.762  -7.143
  461   3HZ   LYS  64          3HZ       LYS  64 -14.332   2.691  -5.725
  462    H    ASP  65           H        ASP  65 -11.977  -1.562  -4.577
  463    HA   ASP  65           HA       ASP  65 -13.438  -3.898  -5.701
  464   1HB   ASP  65          1HB       ASP  65 -12.405  -1.634  -6.916
  465   2HB   ASP  65          2HB       ASP  65 -11.201  -2.871  -7.280
  466    H    VAL  66           H        VAL  66 -10.815  -3.383  -3.677
  467    HA   VAL  66           HA       VAL  66  -9.602  -5.971  -4.557
  468    HB   VAL  66           HB       VAL  66  -8.153  -3.567  -3.440
  469   1HG1  VAL  66          2HG1      VAL  66  -7.461  -6.343  -3.769
  470   2HG1  VAL  66          1HG1      VAL  66  -6.393  -5.324  -4.737
  471   3HG1  VAL  66          3HG1      VAL  66  -6.550  -5.040  -3.006
  472   1HG2  VAL  66          3HG2      VAL  66  -9.042  -4.031  -6.080
  473   2HG2  VAL  66          2HG2      VAL  66  -7.931  -2.779  -5.523
  474   3HG2  VAL  66          1HG2      VAL  66  -7.304  -4.332  -6.074
  475    H    ALA  67           H        ALA  67  -9.872  -3.569  -1.974
  476    HA   ALA  67           HA       ALA  67  -9.991  -5.795   0.021
  477   1HB   ALA  67          3HB       ALA  67  -8.193  -3.488  -0.214
  478   2HB   ALA  67          2HB       ALA  67  -8.992  -3.563   1.356
  479   3HB   ALA  67          1HB       ALA  67  -8.032  -4.923   0.790
  480    HA   PRO  68           HA       PRO  68 -13.800  -3.364   0.547
  481   1HB   PRO  68          1HB       PRO  68 -15.166  -5.327   1.908
  482   2HB   PRO  68          2HB       PRO  68 -15.064  -5.232   0.141
  483   1HG   PRO  68          1HG       PRO  68 -13.653  -7.084   2.007
  484   2HG   PRO  68          2HG       PRO  68 -14.100  -7.325   0.309
  485   1HD   PRO  68          1HD       PRO  68 -11.519  -6.680   1.251
  486   2HD   PRO  68          2HD       PRO  68 -12.068  -6.560  -0.434
  487    H    CYS  69           H        CYS  69 -11.436  -4.206   2.727
  488    HA   CYS  69           HA       CYS  69 -12.979  -3.314   5.105
  489   1HB   CYS  69          1HB       CYS  69 -11.099  -4.099   6.416
  490   2HB   CYS  69          2HB       CYS  69 -11.495  -5.355   5.243
  491    H    THR  70           H        THR  70 -10.470  -2.328   2.876
  492    HA   THR  70           HA       THR  70  -9.462  -0.155   4.498
  493    HB   THR  70           HB       THR  70  -8.512   0.638   2.265
  494    HG1  THR  70           HG1      THR  70 -10.279  -0.574   1.150
  495   1HG2  THR  70          3HG2      THR  70  -7.797  -1.458   3.969
  496   2HG2  THR  70          2HG2      THR  70  -7.635  -2.131   2.349
  497   3HG2  THR  70          1HG2      THR  70  -6.756  -0.668   2.787
  498    H    ASP  71           H        ASP  71 -12.429  -0.561   2.972
  499    HA   ASP  71           HA       ASP  71 -12.742   2.291   2.277
  500   1HB   ASP  71          1HB       ASP  71 -15.076   1.581   1.662
  501   2HB   ASP  71          2HB       ASP  71 -13.824   0.694   0.792
  502    H    SER  72           H        SER  72 -12.102   2.149   4.867
  503    HA   SER  72           HA       SER  72 -14.690   2.655   6.274
  504   1HB   SER  72          1HB       SER  72 -12.713   0.691   6.895
  505   2HB   SER  72          2HB       SER  72 -12.643   1.928   8.146
  506    HG   SER  72           HG       SER  72 -14.832   0.346   7.309
  507    HA   PRO  73           HA       PRO  73 -12.882   6.444   7.599
  508   1HB   PRO  73          1HB       PRO  73 -13.398   6.580  10.295
  509   2HB   PRO  73          2HB       PRO  73 -14.634   6.789   9.043
  510   1HG   PRO  73          1HG       PRO  73 -14.158   4.461  10.841
  511   2HG   PRO  73          2HG       PRO  73 -15.656   4.982  10.051
  512   1HD   PRO  73          1HD       PRO  73 -13.978   2.861   9.213
  513   2HD   PRO  73          2HD       PRO  73 -15.300   3.583   8.272
  514    H    GLU  74           H        GLU  74 -11.404   3.617   8.636
  515    HA   GLU  74           HA       GLU  74  -9.295   5.090  10.113
  516   1HB   GLU  74          1HB       GLU  74  -9.591   2.098   9.940
  517   2HB   GLU  74          2HB       GLU  74  -8.649   3.028  11.104
  518   1HG   GLU  74          1HG       GLU  74 -11.647   3.341  10.893
  519   2HG   GLU  74          2HG       GLU  74 -10.918   2.100  11.910
  520    H    PHE  75           H        PHE  75  -9.969   3.155   7.301
  521    HA   PHE  75           HA       PHE  75  -7.082   3.204   6.534
  522   1HB   PHE  75          1HB       PHE  75  -8.748   1.099   6.419
  523   2HB   PHE  75          2HB       PHE  75  -9.142   1.823   4.860
  524    HD1  PHE  75           HD1      PHE  75  -7.053   2.614   3.442
  525    HD2  PHE  75           HD2      PHE  75  -6.913  -0.356   6.538
  526    HE1  PHE  75           HE1      PHE  75  -4.959   1.710   2.477
  527    HE2  PHE  75           HE2      PHE  75  -4.807  -1.257   5.576
  528    HZ   PHE  75           HZ       PHE  75  -3.834  -0.224   3.545
  529    H    TYR  76           H        TYR  76 -10.196   3.464   4.763
  530    HA   TYR  76           HA       TYR  76  -9.073   5.347   2.861
  531   1HB   TYR  76          1HB       TYR  76 -11.075   3.839   2.421
  532   2HB   TYR  76          2HB       TYR  76 -12.014   4.907   3.463
  533    HD1  TYR  76           HD2      TYR  76  -9.435   5.406   0.782
  534    HD2  TYR  76           HD1      TYR  76 -13.343   6.391   2.251
  535    HE1  TYR  76           HE2      TYR  76  -9.755   6.951  -1.133
  536    HE2  TYR  76           HE1      TYR  76 -13.669   7.940   0.341
  537    HH   TYR  76           HH       TYR  76 -11.574   9.268  -1.327
  538    H    GLY  77           H        GLY  77 -10.358   5.568   6.051
  539   1HA   GLY  77          1HA       GLY  77 -11.386   8.230   6.037
  540   2HA   GLY  77          2HA       GLY  77 -10.774   7.386   7.452
  541    H    LYS  78           H        LYS  78  -8.235   7.093   7.279
  542    HA   LYS  78           HA       LYS  78  -7.125   9.730   7.447
  543   1HB   LYS  78          1HB       LYS  78  -5.423   7.285   7.004
  544   2HB   LYS  78          2HB       LYS  78  -5.089   8.697   8.003
  545   1HG   LYS  78          1HG       LYS  78  -6.883   6.357   8.576
  546   2HG   LYS  78          2HG       LYS  78  -5.666   7.093   9.610
  547   1HD   LYS  78          1HD       LYS  78  -7.367   9.189   9.326
  548   2HD   LYS  78          2HD       LYS  78  -8.508   7.853   9.175
  549   1HE   LYS  78          1HE       LYS  78  -8.509   8.046  11.474
  550   2HE   LYS  78          2HE       LYS  78  -7.133   6.957  11.300
  551   1HZ   LYS  78          2HZ       LYS  78  -6.900   9.913  11.365
  552   2HZ   LYS  78          1HZ       LYS  78  -6.712   8.922  12.732
  553   3HZ   LYS  78          3HZ       LYS  78  -5.636   8.779  11.429
  554    H    PHE  79           H        PHE  79  -7.714   7.718   4.769
  555    HA   PHE  79           HA       PHE  79  -5.662   8.853   3.066
  556   1HB   PHE  79          1HB       PHE  79  -6.402   6.612   2.627
  557   2HB   PHE  79          2HB       PHE  79  -8.083   7.128   2.595
  558    HD1  PHE  79           HD1      PHE  79  -8.845   8.710   0.743
  559    HD2  PHE  79           HD2      PHE  79  -5.067   6.652   0.636
  560    HE1  PHE  79           HE1      PHE  79  -8.718   9.046  -1.716
  561    HE2  PHE  79           HE2      PHE  79  -4.976   6.971  -1.801
  562    HZ   PHE  79           HZ       PHE  79  -6.780   8.164  -2.978
  563    H    LYS  80           H        LYS  80  -9.064   9.362   3.754
  564    HA   LYS  80           HA       LYS  80  -9.394  11.319   1.664
  565   1HB   LYS  80          1HB       LYS  80 -11.068  10.225   3.880
  566   2HB   LYS  80          2HB       LYS  80 -11.511  11.791   3.203
  567   1HG   LYS  80          1HG       LYS  80 -11.005  10.265   0.948
  568   2HG   LYS  80          2HG       LYS  80 -11.782   9.116   2.037
  569   1HD   LYS  80          1HD       LYS  80 -13.634  10.089   1.010
  570   2HD   LYS  80          2HD       LYS  80 -13.471  11.094   2.450
  571   1HE   LYS  80          1HE       LYS  80 -11.915  11.922   0.049
  572   2HE   LYS  80          2HE       LYS  80 -13.662  12.148  -0.015
  573   1HZ   LYS  80          2HZ       LYS  80 -13.128  13.062   2.426
  574   2HZ   LYS  80          1HZ       LYS  80 -11.682  13.477   1.635
  575   3HZ   LYS  80          3HZ       LYS  80 -13.164  14.049   1.044
  576    H    GLU  81           H        GLU  81  -7.893  11.242   4.653
  577    HA   GLU  81           HA       GLU  81  -8.438  14.109   5.257
  578   1HB   GLU  81          1HB       GLU  81  -6.678  12.191   6.810
  579   2HB   GLU  81          2HB       GLU  81  -7.381  13.706   7.376
  580   1HG   GLU  81          1HG       GLU  81  -9.526  12.096   6.432
  581   2HG   GLU  81          2HG       GLU  81  -8.524  11.072   7.460
  582    H    GLY  82           H        GLY  82  -5.854  11.856   4.491
  583   1HA   GLY  82          1HA       GLY  82  -3.729  13.805   4.397
  584   2HA   GLY  82          2HA       GLY  82  -3.693  12.209   3.636
  585    H    VAL  83           H        VAL  83  -5.950  12.439   2.008
  586    HA   VAL  83           HA       VAL  83  -4.887  13.741  -0.303
  587    HB   VAL  83           HB       VAL  83  -7.743  12.927   0.323
  588   1HG1  VAL  83          1HG1      VAL  83  -6.396  14.010  -2.109
  589   2HG1  VAL  83          3HG1      VAL  83  -7.567  12.711  -2.340
  590   3HG1  VAL  83          2HG1      VAL  83  -8.059  14.214  -1.560
  591   1HG2  VAL  83          3HG2      VAL  83  -5.652  11.267   0.276
  592   2HG2  VAL  83          2HG2      VAL  83  -7.208  10.809  -0.415
  593   3HG2  VAL  83          1HG2      VAL  83  -5.914  11.387  -1.464
  594    H    ALA  84           H        ALA  84  -7.306  14.770   2.091
  595    HA   ALA  84           HA       ALA  84  -7.684  17.341   0.700
  596   1HB   ALA  84          3HB       ALA  84  -9.492  15.969   1.970
  597   2HB   ALA  84          2HB       ALA  84  -8.775  16.663   3.424
  598   3HB   ALA  84          1HB       ALA  84  -9.464  17.719   2.191
  599    H    SER  85           H        SER  85  -5.407  16.130   2.862
  600    HA   SER  85           HA       SER  85  -5.093  18.708   4.294
  601   1HB   SER  85          1HB       SER  85  -4.916  16.486   5.496
  602   2HB   SER  85          2HB       SER  85  -3.437  16.190   4.586
  603    HG   SER  85           HG       SER  85  -2.465  17.405   5.984
  604    H    GLY  86           H        GLY  86  -3.655  16.843   1.713
  605   1HA   GLY  86          1HA       GLY  86  -2.152  17.696   0.071
  606   2HA   GLY  86          2HA       GLY  86  -1.898  19.121   1.084
  607    H    ASN  87           H        ASN  87  -1.655  15.879   2.380
  608    HA   ASN  87           HA       ASN  87   1.133  15.449   2.013
  609   1HB   ASN  87          1HB       ASN  87   1.918  16.062   4.317
  610   2HB   ASN  87          2HB       ASN  87   1.472  17.461   3.339
  611   1HD2  ASN  87          2HD2      ASN  87  -0.591  16.644   6.733
  612   2HD2  ASN  87          1HD2      ASN  87   0.707  15.671   6.233
  613    H    LEU  88           H        LEU  88  -0.721  13.631   1.802
  614    HA   LEU  88           HA       LEU  88  -1.814  12.298   3.992
  615   1HB   LEU  88          1HB       LEU  88  -1.989  11.735   1.483
  616   2HB   LEU  88          2HB       LEU  88  -0.515  10.796   1.722
  617    HG   LEU  88           HG       LEU  88  -2.741  10.387   3.664
  618   1HD1  LEU  88          3HD1      LEU  88  -2.710   9.276   0.842
  619   2HD1  LEU  88          2HD1      LEU  88  -3.775   8.718   2.133
  620   3HD1  LEU  88          1HD1      LEU  88  -3.921  10.366   1.518
  621   1HD2  LEU  88          2HD2      LEU  88  -0.653   8.652   2.315
  622   2HD2  LEU  88          1HD2      LEU  88  -0.677   9.175   3.999
  623   3HD2  LEU  88          3HD2      LEU  88  -1.877   8.021   3.417
  624    H    ASN  89           H        ASN  89  -0.913  11.470   5.787
  625    HA   ASN  89           HA       ASN  89   1.524   9.870   5.649
  626   1HB   ASN  89          1HB       ASN  89   2.449  12.176   5.750
  627   2HB   ASN  89          2HB       ASN  89   1.543  12.456   7.238
  628   1HD2  ASN  89          2HD2      ASN  89   4.980  11.331   8.191
  629   2HD2  ASN  89          1HD2      ASN  89   4.348  12.650   7.329
  630    H    THR  90           H        THR  90   0.064   8.285   6.544
  631    HA   THR  90           HA       THR  90  -0.260   8.594   9.473
  632    HB   THR  90           HB       THR  90  -2.380   9.438   8.700
  633    HG1  THR  90           HG1      THR  90  -3.708   7.936   9.636
  634   1HG2  THR  90          3HG2      THR  90  -1.904   7.629   6.541
  635   2HG2  THR  90          2HG2      THR  90  -3.457   7.218   7.269
  636   3HG2  THR  90          1HG2      THR  90  -3.165   8.854   6.680
  637    H    MET  91           H        MET  91  -1.015   6.480  10.453
  638    HA   MET  91           HA       MET  91  -0.554   4.083   8.788
  639   1HB   MET  91          1HB       MET  91   1.121   3.206  10.457
  640   2HB   MET  91          2HB       MET  91   1.710   4.577   9.514
  641   1HG   MET  91          2HG       MET  91   0.948   6.079  11.408
  642   2HG   MET  91          1HG       MET  91   0.659   4.619  12.354
  643   1HE   MET  91          1HE       MET  91   1.874   5.125  14.093
  644   2HE   MET  91          3HE       MET  91   2.747   3.596  13.923
  645   3HE   MET  91          2HE       MET  91   3.623   5.078  14.294
  646    H    PHE  92           H        PHE  92  -1.018   2.063  10.162
  647    HA   PHE  92           HA       PHE  92  -2.301   2.318  12.714
  648   1HB   PHE  92          1HB       PHE  92  -4.666   1.862  11.936
  649   2HB   PHE  92          2HB       PHE  92  -4.079   3.492  11.613
  650    HD1  PHE  92           HD1      PHE  92  -4.326   0.105  10.026
  651    HD2  PHE  92           HD2      PHE  92  -4.149   4.351   9.449
  652    HE1  PHE  92           HE1      PHE  92  -4.756  -0.209   7.604
  653    HE2  PHE  92           HE2      PHE  92  -4.577   4.042   7.029
  654    HZ   PHE  92           HZ       PHE  92  -4.855   1.764   6.105
  655    H    GLU  93           H        GLU  93  -3.104   0.266  13.488
  656    HA   GLU  93           HA       GLU  93  -1.861  -2.001  12.106
  657   1HB   GLU  93          1HB       GLU  93  -2.557  -3.296  14.074
  658   2HB   GLU  93          2HB       GLU  93  -1.769  -1.802  14.579
  659   1HG   GLU  93          1HG       GLU  93  -3.610  -1.476  15.861
  660   2HG   GLU  93          2HG       GLU  93  -4.408  -1.028  14.353
  661    H    TYR  94           H        TYR  94  -2.944  -3.030  10.502
  662    HA   TYR  94           HA       TYR  94  -5.923  -3.193  10.727
  663   1HB   TYR  94          1HB       TYR  94  -4.370  -2.065   8.669
  664   2HB   TYR  94          2HB       TYR  94  -4.934  -3.611   8.037
  665    HD1  TYR  94           HD1      TYR  94  -6.446  -1.074  10.356
  666    HD2  TYR  94           HD2      TYR  94  -6.821  -3.307   6.706
  667    HE1  TYR  94           HE1      TYR  94  -8.700  -0.104   9.994
  668    HE2  TYR  94           HE2      TYR  94  -9.071  -2.336   6.344
  669    HH   TYR  94           HH       TYR  94 -10.698  -0.496   8.801
  670    H    THR  95           H        THR  95  -6.719  -5.106   9.263
  671    HA   THR  95           HA       THR  95  -4.863  -7.424   9.422
  672    HB   THR  95           HB       THR  95  -7.702  -7.464  10.496
  673    HG1  THR  95           HG1      THR  95  -6.256  -6.314  11.839
  674   1HG2  THR  95          2HG2      THR  95  -6.428  -9.553   9.458
  675   2HG2  THR  95          1HG2      THR  95  -5.640  -9.560  11.036
  676   3HG2  THR  95          3HG2      THR  95  -7.393  -9.714  10.926
  677    H    PHE  96           H        PHE  96  -4.818  -8.087   7.309
  678    HA   PHE  96           HA       PHE  96  -7.164  -7.653   5.587
  679   1HB   PHE  96          1HB       PHE  96  -4.504  -9.000   5.026
  680   2HB   PHE  96          2HB       PHE  96  -5.751  -8.716   3.820
  681    HD1  PHE  96           HD1      PHE  96  -6.282  -5.938   5.668
  682    HD2  PHE  96           HD2      PHE  96  -3.128  -7.648   3.279
  683    HE1  PHE  96           HE1      PHE  96  -5.365  -3.677   5.259
  684    HE2  PHE  96           HE2      PHE  96  -2.218  -5.374   2.882
  685    HZ   PHE  96           HZ       PHE  96  -3.337  -3.389   3.867
  686    H    ASP  97           H        ASP  97  -8.778  -9.006   6.401
  687    HA   ASP  97           HA       ASP  97  -8.187 -11.936   6.286
  688   1HB   ASP  97          1HB       ASP  97 -10.047 -12.227   7.881
  689   2HB   ASP  97          2HB       ASP  97  -8.831 -11.135   8.545
  690    H    TYR  98           H        TYR  98  -8.903 -10.207   4.048
  691    HA   TYR  98           HA       TYR  98 -11.718 -10.726   3.453
  692   1HB   TYR  98          1HB       TYR  98 -11.394  -9.345   1.625
  693   2HB   TYR  98          2HB       TYR  98  -9.996  -8.835   2.563
  694    HD1  TYR  98           HD1      TYR  98  -8.031 -10.905   2.244
  695    HD2  TYR  98           HD2      TYR  98 -10.858  -9.427  -0.624
  696    HE1  TYR  98           HE1      TYR  98  -6.555 -11.694   0.408
  697    HE2  TYR  98           HE2      TYR  98  -9.395 -10.209  -2.470
  698    HH   TYR  98           HH       TYR  98  -7.418 -12.269  -2.503
  699    H    GLN  99           H        GLN  99 -12.388 -12.193   1.725
  700    HA   GLN  99           HA       GLN  99 -12.272 -14.704   1.523
  701   1HB   GLN  99          1HB       GLN  99 -11.000 -13.432  -0.903
  702   2HB   GLN  99          2HB       GLN  99 -12.059 -14.841  -0.848
  703   1HG   GLN  99          1HG       GLN  99 -13.635 -12.982   0.370
  704   2HG   GLN  99          2HG       GLN  99 -12.746 -11.965  -0.764
  705   1HE2  GLN  99          2HE2      GLN  99 -14.905 -12.957  -3.355
  706   2HE2  GLN  99          1HE2      GLN  99 -14.074 -11.702  -2.573
  707    H    MET 100           H        MET 100 -10.371 -14.933   3.171
  708    HA   MET 100           HA       MET 100  -8.387 -16.655   2.053
  709   1HB   MET 100          1HB       MET 100  -7.820 -13.965   1.548
  710   2HB   MET 100          2HB       MET 100  -6.854 -14.338   2.978
  711   1HG   MET 100          2HG       MET 100  -5.690 -16.081   1.886
  712   2HG   MET 100          1HG       MET 100  -6.889 -16.190   0.597
  713   1HE   MET 100          1HE       MET 100  -5.003 -13.877   2.589
  714   2HE   MET 100          3HE       MET 100  -3.616 -13.438   1.582
  715   3HE   MET 100          2HE       MET 100  -5.036 -12.396   1.635
  716    H    THR 101           H        THR 101  -6.262 -15.929   3.924
  717    HA   THR 101           HA       THR 101  -7.541 -16.917   6.405
  718    HB   THR 101           HB       THR 101  -4.744 -16.557   6.767
  719    HG1  THR 101           HG1      THR 101  -5.405 -17.794   4.305
  720   1HG2  THR 101          2HG2      THR 101  -6.686 -18.506   7.138
  721   2HG2  THR 101          1HG2      THR 101  -5.588 -19.238   5.969
  722   3HG2  THR 101          3HG2      THR 101  -4.972 -18.672   7.522
  723    HA   PRO 102           HA       PRO 102  -7.078 -13.109   8.577
  724   1HB   PRO 102          1HB       PRO 102  -5.928 -13.813  10.971
  725   2HB   PRO 102          2HB       PRO 102  -7.610 -14.178  10.550
  726   1HG   PRO 102          1HG       PRO 102  -5.262 -16.013  10.658
  727   2HG   PRO 102          2HG       PRO 102  -6.983 -16.379  10.867
  728   1HD   PRO 102          1HD       PRO 102  -5.454 -16.856   8.533
  729   2HD   PRO 102          2HD       PRO 102  -7.226 -16.913   8.650
  730    H    THR 103           H        THR 103  -5.580 -11.740   7.592
  731    HA   THR 103           HA       THR 103  -2.690 -12.256   8.075
  732    HB   THR 103           HB       THR 103  -4.186 -10.571   6.063
  733    HG1  THR 103           HG1      THR 103  -2.144 -12.495   5.740
  734   1HG2  THR 103          2HG2      THR 103  -1.307 -10.372   6.917
  735   2HG2  THR 103          1HG2      THR 103  -1.755 -10.051   5.242
  736   3HG2  THR 103          3HG2      THR 103  -2.443  -9.077   6.541
  737    H    LYS 104           H        LYS 104  -1.409 -10.752   9.092
  738    HA   LYS 104           HA       LYS 104  -2.819  -8.449  10.383
  739   1HB   LYS 104          1HB       LYS 104  -0.860  -8.674  12.079
  740   2HB   LYS 104          2HB       LYS 104  -2.139  -9.884  12.171
  741   1HG   LYS 104          1HG       LYS 104   0.092 -10.500  10.313
  742   2HG   LYS 104          2HG       LYS 104   0.493 -10.519  12.031
  743   1HD   LYS 104          1HD       LYS 104  -1.017 -12.245  12.500
  744   2HD   LYS 104          2HD       LYS 104  -1.981 -11.923  11.058
  745   1HE   LYS 104          1HE       LYS 104  -0.803 -13.875  10.478
  746   2HE   LYS 104          2HE       LYS 104   0.164 -12.595   9.747
  747   1HZ   LYS 104          2HZ       LYS 104   1.086 -12.858  12.336
  748   2HZ   LYS 104          1HZ       LYS 104   0.886 -14.447  11.769
  749   3HZ   LYS 104          3HZ       LYS 104   1.868 -13.361  10.913
  750    H    VAL 105           H        VAL 105  -1.785  -6.416  10.094
  751    HA   VAL 105           HA       VAL 105   0.988  -6.377   9.106
  752    HB   VAL 105           HB       VAL 105   0.552  -5.262   7.024
  753   1HG1  VAL 105          3HG1      VAL 105   0.374  -7.752   7.013
  754   2HG1  VAL 105          2HG1      VAL 105  -1.366  -7.606   7.244
  755   3HG1  VAL 105          1HG1      VAL 105  -0.619  -7.006   5.764
  756   1HG2  VAL 105          2HG2      VAL 105  -2.294  -5.180   8.009
  757   2HG2  VAL 105          1HG2      VAL 105  -1.307  -3.871   7.357
  758   3HG2  VAL 105          3HG2      VAL 105  -1.951  -5.112   6.281
  759    H    LYS 106           H        LYS 106   1.981  -4.459   9.479
  760    HA   LYS 106           HA       LYS 106   0.433  -2.365  10.909
  761   1HB   LYS 106          1HB       LYS 106   2.677  -1.372  11.370
  762   2HB   LYS 106          2HB       LYS 106   2.603  -3.043  11.923
  763   1HG   LYS 106          1HG       LYS 106   3.447  -3.198   9.243
  764   2HG   LYS 106          2HG       LYS 106   4.360  -1.855   9.933
  765   1HD   LYS 106          1HD       LYS 106   4.096  -4.425  11.471
  766   2HD   LYS 106          2HD       LYS 106   5.283  -4.301  10.173
  767   1HE   LYS 106          1HE       LYS 106   6.504  -3.602  12.052
  768   2HE   LYS 106          2HE       LYS 106   5.978  -2.076  11.343
  769   1HZ   LYS 106          2HZ       LYS 106   4.397  -3.472  13.418
  770   2HZ   LYS 106          1HZ       LYS 106   5.626  -2.369  13.816
  771   3HZ   LYS 106          3HZ       LYS 106   4.283  -1.851  12.919
  772    H    VAL 107           H        VAL 107  -0.458  -0.882   9.478
  773    HA   VAL 107           HA       VAL 107   0.688  -0.743   6.782
  774    HB   VAL 107           HB       VAL 107  -1.369   0.113   6.090
  775   1HG1  VAL 107          1HG1      VAL 107  -1.627  -1.817   7.957
  776   2HG1  VAL 107          3HG1      VAL 107  -2.669  -0.562   8.621
  777   3HG1  VAL 107          2HG1      VAL 107  -2.954  -1.169   6.994
  778   1HG2  VAL 107          3HG2      VAL 107  -0.923   2.196   7.789
  779   2HG2  VAL 107          2HG2      VAL 107  -2.422   1.945   6.944
  780   3HG2  VAL 107          1HG2      VAL 107  -2.253   1.406   8.606
  781    H    HIS 108           H        HIS 108   1.098   1.323   5.740
  782    HA   HIS 108           HA       HIS 108   1.590   3.709   7.345
  783   1HB   HIS 108          1HB       HIS 108   3.659   2.386   7.821
  784   2HB   HIS 108          2HB       HIS 108   3.976   2.306   6.087
  785    HD1  HIS 108           HD1      HIS 108   6.180   3.678   7.354
  786    HD2  HIS 108           HD2      HIS 108   2.652   5.757   6.563
  787    HE1  HIS 108           HE1      HIS 108   6.781   6.138   7.356
  788    H    MET 109           H        MET 109   0.347   4.825   5.838
  789    HA   MET 109           HA       MET 109   1.154   4.602   2.964
  790   1HB   MET 109          1HB       MET 109  -1.337   6.059   3.559
  791   2HB   MET 109          2HB       MET 109  -1.051   4.777   2.392
  792   1HG   MET 109          2HG       MET 109  -2.450   3.623   3.823
  793   2HG   MET 109          1HG       MET 109  -0.935   3.306   4.663
  794   1HE   MET 109          1HE       MET 109  -3.756   5.831   4.152
  795   2HE   MET 109          3HE       MET 109  -4.478   4.482   5.042
  796   3HE   MET 109          2HE       MET 109  -4.372   6.076   5.785
  797    H    LYS 110           H        LYS 110   1.533   6.596   1.734
  798    HA   LYS 110           HA       LYS 110   1.348   9.106   3.341
  799   1HB   LYS 110          1HB       LYS 110   3.741   7.787   3.261
  800   2HB   LYS 110          2HB       LYS 110   3.900   8.859   1.873
  801   1HG   LYS 110          1HG       LYS 110   3.327  10.782   3.310
  802   2HG   LYS 110          2HG       LYS 110   3.177   9.700   4.693
  803   1HD   LYS 110          1HD       LYS 110   5.707   9.331   3.286
  804   2HD   LYS 110          2HD       LYS 110   5.508  10.984   3.869
  805   1HE   LYS 110          1HE       LYS 110   5.011  10.139   6.129
  806   2HE   LYS 110          2HE       LYS 110   5.183   8.481   5.553
  807   1HZ   LYS 110          2HZ       LYS 110   7.478   9.555   4.721
  808   2HZ   LYS 110          1HZ       LYS 110   7.221  10.459   6.136
  809   3HZ   LYS 110          3HZ       LYS 110   7.296   8.767   6.215
  810    H    LYS 111           H        LYS 111   2.267  10.972   1.709
  811    HA   LYS 111           HA       LYS 111   0.600  10.640  -0.696
  812   1HB   LYS 111          1HB       LYS 111   0.318  12.727   0.431
  813   2HB   LYS 111          2HB       LYS 111   2.059  13.004   0.511
  814   1HG   LYS 111          1HG       LYS 111   2.202  13.571  -1.750
  815   2HG   LYS 111          2HG       LYS 111   0.737  12.681  -2.169
  816   1HD   LYS 111          1HD       LYS 111  -0.676  14.358  -1.303
  817   2HD   LYS 111          2HD       LYS 111   0.620  15.081  -0.349
  818   1HE   LYS 111          1HE       LYS 111   1.752  15.489  -2.672
  819   2HE   LYS 111          2HE       LYS 111   0.122  15.274  -3.308
  820   1HZ   LYS 111          3HZ       LYS 111  -0.419  16.935  -1.356
  821   2HZ   LYS 111          2HZ       LYS 111   1.196  17.398  -1.613
  822   3HZ   LYS 111          1HZ       LYS 111   0.071  17.487  -2.883
  823    H    ALA 112           H        ALA 112   1.557   9.594  -2.345
  824    HA   ALA 112           HA       ALA 112   4.307   9.229  -2.783
  825   1HB   ALA 112          1HB       ALA 112   2.048   8.329  -3.969
  826   2HB   ALA 112          3HB       ALA 112   2.613   9.457  -5.201
  827   3HB   ALA 112          2HB       ALA 112   3.654   8.135  -4.671
  828    H    LEU 113           H        LEU 113   5.885  10.392  -3.856
  829    HA   LEU 113           HA       LEU 113   5.320  13.247  -4.270
  830   1HB   LEU 113          1HB       LEU 113   7.809  11.555  -4.210
  831   2HB   LEU 113          2HB       LEU 113   7.861  13.214  -4.809
  832    HG   LEU 113           HG       LEU 113   6.548  12.598  -2.173
  833   1HD1  LEU 113          3HD1      LEU 113   9.190  11.926  -2.672
  834   2HD1  LEU 113          2HD1      LEU 113   9.315  13.556  -2.007
  835   3HD1  LEU 113          1HD1      LEU 113   8.509  12.286  -1.085
  836   1HD2  LEU 113          1HD2      LEU 113   7.371  14.939  -3.739
  837   2HD2  LEU 113          3HD2      LEU 113   6.196  14.822  -2.429
  838   3HD2  LEU 113          2HD2      LEU 113   7.911  15.007  -2.061
  839    H    SER 114           H        SER 114   4.696  10.755  -6.218
  840    HA   SER 114           HA       SER 114   6.080  11.286  -8.641
  841   1HB   SER 114          1HB       SER 114   3.385  10.097  -8.014
  842   2HB   SER 114          2HB       SER 114   3.888  10.349  -9.683
  843    HG   SER 114           HG       SER 114   4.658   8.377  -9.224
  844    H    GLY 115           H        GLY 115   3.650  13.096  -6.985
  845   1HA   GLY 115          1HA       GLY 115   3.784  15.492  -8.182
  846   2HA   GLY 115          2HA       GLY 115   2.871  14.603  -9.404
  847    H    ASP 116           H        ASP 116   1.560  12.921  -7.350
  848    HA   ASP 116           HA       ASP 116   0.166  14.267  -5.352
  849   1HB   ASP 116          1HB       ASP 116  -0.637  15.172  -7.999
  850   2HB   ASP 116          2HB       ASP 116  -1.994  14.439  -7.143
  851    H    SER 117           H        SER 117   0.729  11.833  -5.105
  852    HA   SER 117           HA       SER 117  -1.642  10.233  -5.983
  853   1HB   SER 117          1HB       SER 117   1.047   9.784  -6.625
  854   2HB   SER 117          2HB       SER 117   0.690   8.619  -5.354
  855    HG   SER 117           HG       SER 117  -0.300   8.834  -7.931
  856    H    TYR 118           H        TYR 118  -1.249   7.980  -4.499
  857    HA   TYR 118           HA       TYR 118  -0.861   8.732  -1.656
  858   1HB   TYR 118          1HB       TYR 118  -3.443   7.465  -2.585
  859   2HB   TYR 118          2HB       TYR 118  -3.102   8.122  -0.983
  860    HD1  TYR 118           HD2      TYR 118  -2.552  10.683  -0.888
  861    HD2  TYR 118           HD1      TYR 118  -4.455   8.705  -4.192
  862    HE1  TYR 118           HE2      TYR 118  -3.464  12.846  -1.671
  863    HE2  TYR 118           HE1      TYR 118  -5.361  10.848  -4.968
  864    HH   TYR 118           HH       TYR 118  -4.367  13.896  -3.558
  865    H    TRP 119           H        TRP 119   0.532   7.039  -1.070
  866    HA   TRP 119           HA       TRP 119  -0.216   4.374  -2.092
  867   1HB   TRP 119          1HB       TRP 119   2.179   3.736  -1.811
  868   2HB   TRP 119          2HB       TRP 119   1.840   4.888  -3.090
  869    HD1  TRP 119           HD1      TRP 119   3.229   7.026  -3.043
  870    HE1  TRP 119           HE1      TRP 119   4.873   8.105  -1.369
  871    HE3  TRP 119           HE3      TRP 119   2.463   3.999   0.809
  872    HZ2  TRP 119           HZ2      TRP 119   5.752   7.660   1.339
  873    HZ3  TRP 119           HZ3      TRP 119   3.694   4.273   2.968
  874    HH2  TRP 119           HH2      TRP 119   5.333   6.106   3.233
  875    H    VAL 120           H        VAL 120  -0.367   2.641  -0.834
  876    HA   VAL 120           HA       VAL 120  -0.135   3.127   2.100
  877    HB   VAL 120           HB       VAL 120  -1.991   1.141   0.731
  878   1HG1  VAL 120          1HG1      VAL 120  -1.242   1.784   3.491
  879   2HG1  VAL 120          3HG1      VAL 120  -2.984   1.833   3.219
  880   3HG1  VAL 120          2HG1      VAL 120  -2.074   0.367   2.851
  881   1HG2  VAL 120          1HG2      VAL 120  -2.220   3.912   0.658
  882   2HG2  VAL 120          3HG2      VAL 120  -3.547   2.766   0.469
  883   3HG2  VAL 120          2HG2      VAL 120  -3.201   3.460   2.052
  884    H    PHE 121           H        PHE 121   1.717   2.156   2.726
  885    HA   PHE 121           HA       PHE 121   2.605  -0.331   1.415
  886   1HB   PHE 121          1HB       PHE 121   3.943   1.288   3.601
  887   2HB   PHE 121          2HB       PHE 121   4.664  -0.060   2.728
  888    HD1  PHE 121           HD1      PHE 121   2.988   1.102   0.121
  889    HD2  PHE 121           HD2      PHE 121   6.009   2.540   2.814
  890    HE1  PHE 121           HE1      PHE 121   3.794   2.669  -1.625
  891    HE2  PHE 121           HE2      PHE 121   6.787   4.133   1.078
  892    HZ   PHE 121           HZ       PHE 121   5.681   4.188  -1.136
  893    H    VAL 122           H        VAL 122   2.027  -2.252   2.262
  894    HA   VAL 122           HA       VAL 122   1.215  -2.301   5.106
  895    HB   VAL 122           HB       VAL 122   0.342  -3.714   2.644
  896   1HG1  VAL 122          2HG1      VAL 122   0.888  -5.197   5.180
  897   2HG1  VAL 122          1HG1      VAL 122  -0.625  -5.539   4.349
  898   3HG1  VAL 122          3HG1      VAL 122   0.911  -5.772   3.517
  899   1HG2  VAL 122          2HG2      VAL 122  -0.741  -2.181   4.784
  900   2HG2  VAL 122          1HG2      VAL 122  -1.573  -2.796   3.356
  901   3HG2  VAL 122          3HG2      VAL 122  -1.512  -3.767   4.826
  902    H    LYS 123           H        LYS 123   2.693  -3.018   6.459
  903    HA   LYS 123           HA       LYS 123   4.847  -4.811   5.424
  904   1HB   LYS 123          1HB       LYS 123   5.094  -2.600   6.949
  905   2HB   LYS 123          2HB       LYS 123   4.915  -3.807   8.223
  906   1HG   LYS 123          1HG       LYS 123   6.937  -4.730   7.807
  907   2HG   LYS 123          2HG       LYS 123   6.733  -4.611   6.060
  908   1HD   LYS 123          1HD       LYS 123   7.480  -2.374   6.006
  909   2HD   LYS 123          2HD       LYS 123   7.224  -2.157   7.736
  910   1HE   LYS 123          1HE       LYS 123   9.372  -3.816   6.394
  911   2HE   LYS 123          2HE       LYS 123   9.596  -2.378   7.392
  912   1HZ   LYS 123          1HZ       LYS 123   8.289  -3.827   9.117
  913   2HZ   LYS 123          3HZ       LYS 123   8.904  -5.111   8.195
  914   3HZ   LYS 123          2HZ       LYS 123   9.966  -4.005   8.925
  915    H    ARG 124           H        ARG 124   4.282  -6.959   5.615
  916    HA   ARG 124           HA       ARG 124   2.252  -7.946   7.329
  917   1HB   ARG 124          1HB       ARG 124   3.213  -9.222   5.412
  918   2HB   ARG 124          2HB       ARG 124   4.684  -9.477   6.352
  919   1HG   ARG 124          1HG       ARG 124   3.575 -10.827   7.945
  920   2HG   ARG 124          2HG       ARG 124   1.983 -10.253   7.448
  921   1HD   ARG 124          1HD       ARG 124   2.070 -11.485   5.401
  922   2HD   ARG 124          2HD       ARG 124   3.790 -11.822   5.595
  923    HE   ARG 124           HE       ARG 124   1.976 -12.896   7.674
  924   1HH1  ARG 124          1HH2      ARG 124   4.878 -13.511   6.370
  925   2HH1  ARG 124          2HH2      ARG 124   4.575 -15.146   5.886
  926   1HH2  ARG 124          2HH1      ARG 124   1.152 -14.943   6.404
  927   2HH2  ARG 124          1HH1      ARG 124   2.464 -15.958   5.906
  928    H    VAL 125           H        VAL 125   2.206  -8.559   9.440
  929    HA   VAL 125           HA       VAL 125   4.636  -7.975  11.044
  930    HB   VAL 125           HB       VAL 125   2.132  -8.699  12.467
  931   1HG1  VAL 125          1HG1      VAL 125   4.423  -6.819  12.662
  932   2HG1  VAL 125          3HG1      VAL 125   2.902  -6.278  13.370
  933   3HG1  VAL 125          2HG1      VAL 125   3.644  -7.781  13.918
  934   1HG2  VAL 125          1HG2      VAL 125   2.328  -6.191  10.773
  935   2HG2  VAL 125          3HG2      VAL 125   1.129  -7.470  10.638
  936   3HG2  VAL 125          2HG2      VAL 125   1.146  -6.437  12.060
  937    H2   HC4  69           H2       HC4  69  -7.126  -4.909   3.023
  938    H3   HC4  69           H3       HC4  69  -8.192  -7.683   2.371
  939    H2'  HC4  69           H2'      HC4  69  -6.670  -9.014   1.034
  940    H3'  HC4  69           H3'      HC4  69  -4.571  -9.324  -0.207
  941    H5'  HC4  69           H5'      HC4  69  -3.382  -5.287   0.740
  942    H6'  HC4  69           H6'      HC4  69  -5.513  -4.976   1.991
   
  No H/Q in entry =         942
  Start of MODEL    2
    1   1H    MET   1           H3       MET   1  24.073  -4.167  10.876
    2   2H    MET   1           H2       MET   1  24.357  -5.665  10.128
    3   3H    MET   1           H1       MET   1  25.283  -4.308   9.696
    4    HA   MET   1           HA       MET   1  23.710  -3.457   8.351
    5   1HB   MET   1          1HB       MET   1  23.761  -6.323   8.360
    6   2HB   MET   1          2HB       MET   1  22.113  -5.794   8.015
    7   1HG   MET   1          2HG       MET   1  22.694  -4.839   6.020
    8   2HG   MET   1          1HG       MET   1  24.267  -4.309   6.615
    9   1HE   MET   1          3HE       MET   1  22.017  -6.993   5.436
   10   2HE   MET   1          2HE       MET   1  22.814  -6.476   3.952
   11   3HE   MET   1          1HE       MET   1  23.038  -8.123   4.535
   12    H    GLU   2           H        GLU   2  21.810  -2.319   8.432
   13    HA   GLU   2           HA       GLU   2  20.174  -2.468  10.818
   14   1HB   GLU   2          1HB       GLU   2  20.661  -0.522   8.960
   15   2HB   GLU   2          2HB       GLU   2  19.057  -1.066   8.468
   16   1HG   GLU   2          1HG       GLU   2  18.132  -0.609  10.623
   17   2HG   GLU   2          2HG       GLU   2  19.730  -0.398  11.339
   18    H    HIS   3           H        HIS   3  18.297  -3.602  11.127
   19    HA   HIS   3           HA       HIS   3  17.514  -5.674   9.330
   20   1HB   HIS   3          1HB       HIS   3  15.396  -5.709  10.745
   21   2HB   HIS   3          2HB       HIS   3  16.903  -5.879  11.643
   22    HD1  HIS   3           HD1      HIS   3  15.590  -4.868  13.738
   23    HD2  HIS   3           HD2      HIS   3  16.097  -2.250  10.534
   24    HE1  HIS   3           HE1      HIS   3  15.090  -2.548  14.622
   25    H    VAL   4           H        VAL   4  14.933  -5.641   8.720
   26    HA   VAL   4           HA       VAL   4  14.713  -3.741   6.589
   27    HB   VAL   4           HB       VAL   4  12.609  -5.515   7.869
   28   1HG1  VAL   4          1HG1      VAL   4  12.620  -3.901   5.304
   29   2HG1  VAL   4          3HG1      VAL   4  11.460  -5.188   5.638
   30   3HG1  VAL   4          2HG1      VAL   4  11.500  -3.748   6.657
   31   1HG2  VAL   4          1HG2      VAL   4  14.833  -5.986   6.049
   32   2HG2  VAL   4          3HG2      VAL   4  13.770  -7.155   6.833
   33   3HG2  VAL   4          2HG2      VAL   4  13.293  -6.417   5.304
   34    H    ALA   5           H        ALA   5  13.006  -2.115   6.397
   35    HA   ALA   5           HA       ALA   5  12.078  -0.977   9.003
   36   1HB   ALA   5          1HB       ALA   5  13.832   0.252   6.930
   37   2HB   ALA   5          3HB       ALA   5  12.591   1.286   7.638
   38   3HB   ALA   5          2HB       ALA   5  13.800   0.521   8.672
   39    H    PHE   6           H        PHE   6  10.105   0.284   8.810
   40    HA   PHE   6           HA       PHE   6   8.383  -0.545   6.658
   41   1HB   PHE   6          1HB       PHE   6   7.864   0.553   9.085
   42   2HB   PHE   6          2HB       PHE   6   7.689   1.978   8.060
   43    HD1  PHE   6           HD2      PHE   6   6.890   0.071   5.567
   44    HD2  PHE   6           HD1      PHE   6   5.422   0.634   9.577
   45    HE1  PHE   6           HE2      PHE   6   4.664  -0.740   4.871
   46    HE2  PHE   6           HE1      PHE   6   3.195  -0.181   8.861
   47    HZ   PHE   6           HZ       PHE   6   2.829  -0.866   6.509
   48    H    GLY   7           H        GLY   7   9.586   2.753   7.457
   49   1HA   GLY   7          1HA       GLY   7   9.043   3.928   4.927
   50   2HA   GLY   7          2HA       GLY   7  10.349   4.454   6.000
   51    H    SER   8           H        SER   8  11.494   1.752   6.056
   52    HA   SER   8           HA       SER   8  13.297   0.695   5.008
   53   1HB   SER   8          1HB       SER   8  10.834   0.226   3.748
   54   2HB   SER   8          2HB       SER   8  11.997   0.443   2.442
   55    HG   SER   8           HG       SER   8  12.931  -1.362   2.999
   56    H    GLU   9           H        GLU   9  14.101   0.479   2.495
   57    HA   GLU   9           HA       GLU   9  15.841   2.652   2.035
   58   1HB   GLU   9          1HB       GLU   9  15.553   0.111   1.110
   59   2HB   GLU   9          2HB       GLU   9  14.998   1.018  -0.295
   60   1HG   GLU   9          1HG       GLU   9  17.060   2.096  -0.581
   61   2HG   GLU   9          2HG       GLU   9  17.542   1.832   1.096
   62    H    ASP  10           H        ASP  10  14.355   4.575   2.079
   63    HA   ASP  10           HA       ASP  10  12.680   6.021   1.139
   64   1HB   ASP  10          1HB       ASP  10  14.643   5.625  -1.141
   65   2HB   ASP  10          2HB       ASP  10  13.612   7.032  -0.884
   66    H    ILE  11           H        ILE  11  10.922   4.331   0.982
   67    HA   ILE  11           HA       ILE  11  10.579   2.670  -1.252
   68    HB   ILE  11           HB       ILE  11   8.197   3.929  -0.141
   69   1HG1  ILE  11          1HG1      ILE  11   9.530   3.658   1.903
   70   2HG1  ILE  11          2HG1      ILE  11   8.231   2.477   1.850
   71   1HG2  ILE  11          1HG2      ILE  11   8.547   1.945  -1.816
   72   2HG2  ILE  11          3HG2      ILE  11   8.721   1.022  -0.333
   73   3HG2  ILE  11          2HG2      ILE  11   7.232   1.905  -0.643
   74   1HD1  ILE  11          2HD1      ILE  11  10.145   1.085   0.556
   75   2HD1  ILE  11          1HD1      ILE  11  11.153   2.055   1.629
   76   3HD1  ILE  11          3HD1      ILE  11   9.898   1.013   2.298
   77    H    GLU  12           H        GLU  12   8.769   5.687  -0.726
   78    HA   GLU  12           HA       GLU  12   7.611   6.055  -3.141
   79   1HB   GLU  12          1HB       GLU  12   7.821   8.487  -2.838
   80   2HB   GLU  12          2HB       GLU  12   7.484   7.690  -1.300
   81   1HG   GLU  12          1HG       GLU  12  10.193   7.608  -1.280
   82   2HG   GLU  12          2HG       GLU  12   9.939   9.090  -2.203
   83    H    ASN  13           H        ASN  13  11.099   6.326  -2.643
   84    HA   ASN  13           HA       ASN  13  11.587   7.552  -5.245
   85   1HB   ASN  13          1HB       ASN  13  13.204   6.576  -2.972
   86   2HB   ASN  13          2HB       ASN  13  13.974   6.408  -4.551
   87   1HD2  ASN  13          2HD2      ASN  13  14.881   9.808  -3.504
   88   2HD2  ASN  13          1HD2      ASN  13  15.307   8.207  -3.132
   89    H    THR  14           H        THR  14  12.155   4.263  -3.932
   90    HA   THR  14           HA       THR  14  12.940   3.083  -6.418
   91    HB   THR  14           HB       THR  14  11.940   2.073  -3.766
   92    HG1  THR  14           HG1      THR  14  14.260   1.875  -5.349
   93   1HG2  THR  14          3HG2      THR  14  12.234   0.387  -6.268
   94   2HG2  THR  14          2HG2      THR  14  12.262  -0.285  -4.639
   95   3HG2  THR  14          1HG2      THR  14  10.815   0.530  -5.232
   96    H    LEU  15           H        LEU  15   9.827   3.429  -4.853
   97    HA   LEU  15           HA       LEU  15   8.255   1.860  -6.600
   98   1HB   LEU  15          1HB       LEU  15   7.396   4.359  -5.106
   99   2HB   LEU  15          2HB       LEU  15   6.357   3.040  -5.642
  100    HG   LEU  15           HG       LEU  15   8.642   2.647  -3.703
  101   1HD1  LEU  15          2HD1      LEU  15   5.968   3.768  -3.300
  102   2HD1  LEU  15          1HD1      LEU  15   6.305   2.370  -2.282
  103   3HD1  LEU  15          3HD1      LEU  15   7.367   3.774  -2.227
  104   1HD2  LEU  15          2HD2      LEU  15   7.808   0.675  -4.962
  105   2HD2  LEU  15          1HD2      LEU  15   7.503   0.552  -3.230
  106   3HD2  LEU  15          3HD2      LEU  15   6.193   0.988  -4.328
  107    H    ALA  16           H        ALA  16   9.657   5.021  -6.944
  108    HA   ALA  16           HA       ALA  16   7.953   5.686  -9.262
  109   1HB   ALA  16          2HB       ALA  16   8.751   7.422  -7.596
  110   2HB   ALA  16          1HB       ALA  16  10.381   7.174  -8.223
  111   3HB   ALA  16          3HB       ALA  16   9.115   7.799  -9.280
  112    H    LYS  17           H        LYS  17  11.043   4.266  -8.543
  113    HA   LYS  17           HA       LYS  17  11.677   4.237 -11.468
  114   1HB   LYS  17          1HB       LYS  17  13.233   5.233  -9.374
  115   2HB   LYS  17          2HB       LYS  17  13.928   3.647  -9.703
  116   1HG   LYS  17          1HG       LYS  17  13.684   4.442 -12.227
  117   2HG   LYS  17          2HG       LYS  17  13.742   6.042 -11.485
  118   1HD   LYS  17          1HD       LYS  17  15.950   5.861 -11.044
  119   2HD   LYS  17          2HD       LYS  17  15.755   4.240 -10.376
  120   1HE   LYS  17          1HE       LYS  17  16.999   3.706 -12.240
  121   2HE   LYS  17          2HE       LYS  17  15.390   3.639 -12.958
  122   1HZ   LYS  17          1HZ       LYS  17  15.764   6.119 -13.401
  123   2HZ   LYS  17          3HZ       LYS  17  17.406   5.782 -13.144
  124   3HZ   LYS  17          2HZ       LYS  17  16.565   4.996 -14.393
  125    H    MET  18           H        MET  18  10.128   2.275 -11.214
  126    HA   MET  18           HA       MET  18  10.993  -0.071  -9.820
  127   1HB   MET  18          1HB       MET  18   8.755   0.714 -11.322
  128   2HB   MET  18          2HB       MET  18   9.449  -0.641 -12.213
  129   1HG   MET  18          2HG       MET  18   8.789  -2.120 -10.652
  130   2HG   MET  18          1HG       MET  18   9.447  -1.138  -9.345
  131   1HE   MET  18          1HE       MET  18   8.248   1.420  -9.161
  132   2HE   MET  18          3HE       MET  18   6.735   1.204  -8.268
  133   3HE   MET  18          2HE       MET  18   8.173   0.296  -7.805
  134    H    ASP  19           H        ASP  19  11.960  -1.980 -10.728
  135    HA   ASP  19           HA       ASP  19  12.827  -2.510 -13.306
  136   1HB   ASP  19          1HB       ASP  19  15.276  -1.644 -13.166
  137   2HB   ASP  19          2HB       ASP  19  14.017  -0.498 -13.626
  138    H    ASP  20           H        ASP  20  13.939  -2.389  -9.948
  139    HA   ASP  20           HA       ASP  20  15.611  -4.783 -10.305
  140   1HB   ASP  20          1HB       ASP  20  15.957  -4.525  -7.810
  141   2HB   ASP  20          2HB       ASP  20  16.463  -3.128  -8.760
  142    H    GLY  21           H        GLY  21  13.515  -5.849 -11.083
  143   1HA   GLY  21          1HA       GLY  21  11.867  -7.476 -10.665
  144   2HA   GLY  21          2HA       GLY  21  12.540  -7.622  -9.036
  145    H    GLN  22           H        GLN  22  11.657  -4.478 -10.157
  146    HA   GLN  22           HA       GLN  22  10.142  -2.945  -9.304
  147   1HB   GLN  22          1HB       GLN  22   8.225  -5.268  -9.320
  148   2HB   GLN  22          2HB       GLN  22   7.866  -3.558  -9.562
  149   1HG   GLN  22          1HG       GLN  22   9.664  -3.933 -11.545
  150   2HG   GLN  22          2HG       GLN  22   8.959  -5.548 -11.472
  151   1HE2  GLN  22          2HE2      GLN  22   6.822  -2.516 -13.077
  152   2HE2  GLN  22          1HE2      GLN  22   8.427  -2.311 -12.567
  153    H    LEU  23           H        LEU  23  11.685  -3.618  -7.305
  154    HA   LEU  23           HA       LEU  23  11.870  -4.085  -5.006
  155   1HB   LEU  23          1HB       LEU  23  10.414  -2.703  -3.671
  156   2HB   LEU  23          2HB       LEU  23  10.771  -1.836  -5.161
  157    HG   LEU  23           HG       LEU  23   8.331  -3.564  -5.132
  158   1HD1  LEU  23          2HD1      LEU  23   8.746  -1.127  -3.457
  159   2HD1  LEU  23          1HD1      LEU  23   7.192  -1.339  -4.263
  160   3HD1  LEU  23          3HD1      LEU  23   7.771  -2.560  -3.133
  161   1HD2  LEU  23          1HD2      LEU  23   9.481  -1.748  -6.879
  162   2HD2  LEU  23          3HD2      LEU  23   7.806  -2.297  -6.939
  163   3HD2  LEU  23          2HD2      LEU  23   8.214  -0.800  -6.104
  164    H    ASP  24           H        ASP  24  10.819  -6.362  -6.283
  165    HA   ASP  24           HA       ASP  24   8.428  -7.246  -4.860
  166   1HB   ASP  24          1HB       ASP  24   8.993  -9.470  -5.892
  167   2HB   ASP  24          2HB       ASP  24   8.861  -8.158  -7.066
  168    H    GLY  25           H        GLY  25  11.674  -6.929  -3.952
  169   1HA   GLY  25          1HA       GLY  25  11.548  -9.226  -2.067
  170   2HA   GLY  25          2HA       GLY  25  13.001  -8.303  -2.453
  171    H    LEU  26           H        LEU  26   9.911  -6.805  -1.741
  172    HA   LEU  26           HA       LEU  26  11.145  -5.573   0.663
  173   1HB   LEU  26          1HB       LEU  26   8.947  -4.732  -1.223
  174   2HB   LEU  26          2HB       LEU  26   9.031  -4.048   0.398
  175    HG   LEU  26           HG       LEU  26  11.221  -3.952  -1.700
  176   1HD1  LEU  26          3HD1      LEU  26   9.062  -2.410  -1.718
  177   2HD1  LEU  26          2HD1      LEU  26   9.921  -1.565  -0.433
  178   3HD1  LEU  26          1HD1      LEU  26  10.653  -1.719  -2.029
  179   1HD2  LEU  26          3HD2      LEU  26  11.217  -3.546   1.216
  180   2HD2  LEU  26          2HD2      LEU  26  12.575  -3.800   0.122
  181   3HD2  LEU  26          1HD2      LEU  26  11.886  -2.188   0.313
  182    H    ALA  27           H        ALA  27  10.491  -6.370   2.573
  183    HA   ALA  27           HA       ALA  27   8.483  -8.366   2.898
  184   1HB   ALA  27          2HB       ALA  27  10.303  -6.903   4.595
  185   2HB   ALA  27          1HB       ALA  27   8.718  -6.995   5.360
  186   3HB   ALA  27          3HB       ALA  27   9.549  -8.472   4.877
  187    H    PHE  28           H        PHE  28   8.138  -5.002   2.407
  188    HA   PHE  28           HA       PHE  28   5.348  -5.137   3.422
  189   1HB   PHE  28          1HB       PHE  28   5.561  -2.578   3.553
  190   2HB   PHE  28          2HB       PHE  28   6.479  -3.486   4.753
  191    HD1  PHE  28           HD2      PHE  28   8.945  -3.893   4.395
  192    HD2  PHE  28           HD1      PHE  28   6.662  -1.288   1.870
  193    HE1  PHE  28           HE2      PHE  28  11.049  -2.937   3.490
  194    HE2  PHE  28           HE1      PHE  28   8.762  -0.336   0.957
  195    HZ   PHE  28           HZ       PHE  28  10.967  -1.157   1.753
  196    H    GLY  29           H        GLY  29   3.963  -5.212   1.730
  197   1HA   GLY  29          1HA       GLY  29   4.628  -4.748  -0.978
  198   2HA   GLY  29          2HA       GLY  29   2.987  -4.690  -0.332
  199    H    ALA  30           H        ALA  30   4.332  -2.838  -2.330
  200    HA   ALA  30           HA       ALA  30   3.765  -0.361  -0.762
  201   1HB   ALA  30          1HB       ALA  30   6.135  -0.960  -2.484
  202   2HB   ALA  30          3HB       ALA  30   5.465   0.670  -2.551
  203   3HB   ALA  30          2HB       ALA  30   6.032   0.014  -1.017
  204    H    ILE  31           H        ILE  31   1.740   0.028  -1.542
  205    HA   ILE  31           HA       ILE  31   1.345  -0.104  -4.488
  206    HB   ILE  31           HB       ILE  31  -1.014  -0.292  -4.034
  207   1HG1  ILE  31          1HG1      ILE  31  -1.556  -0.459  -1.432
  208   2HG1  ILE  31          2HG1      ILE  31  -0.199   0.669  -1.317
  209   1HG2  ILE  31          2HG2      ILE  31   0.510  -2.245  -3.653
  210   2HG2  ILE  31          1HG2      ILE  31   0.432  -1.904  -1.929
  211   3HG2  ILE  31          3HG2      ILE  31  -1.030  -2.347  -2.810
  212   1HD1  ILE  31          3HD1      ILE  31  -2.427   1.149  -3.290
  213   2HD1  ILE  31          2HD1      ILE  31  -2.598   1.648  -1.607
  214   3HD1  ILE  31          1HD1      ILE  31  -1.300   2.316  -2.595
  215    H    GLN  32           H        GLN  32   0.061   1.573  -5.485
  216    HA   GLN  32           HA       GLN  32   0.292   4.205  -4.092
  217   1HB   GLN  32          1HB       GLN  32   1.043   3.362  -6.857
  218   2HB   GLN  32          2HB       GLN  32   0.325   4.958  -6.665
  219   1HG   GLN  32          1HG       GLN  32   2.026   5.590  -5.050
  220   2HG   GLN  32          2HG       GLN  32   2.700   3.959  -5.072
  221   1HE2  GLN  32          2HE2      GLN  32   4.923   5.566  -7.421
  222   2HE2  GLN  32          1HE2      GLN  32   4.733   5.254  -5.763
  223    H    LEU  33           H        LEU  33  -1.364   5.785  -5.311
  224    HA   LEU  33           HA       LEU  33  -3.710   4.328  -6.323
  225   1HB   LEU  33          1HB       LEU  33  -3.651   5.725  -3.647
  226   2HB   LEU  33          2HB       LEU  33  -5.154   5.566  -4.551
  227    HG   LEU  33           HG       LEU  33  -3.356   3.287  -3.661
  228   1HD1  LEU  33          3HD1      LEU  33  -5.459   4.718  -2.354
  229   2HD1  LEU  33          2HD1      LEU  33  -6.050   3.100  -2.735
  230   3HD1  LEU  33          1HD1      LEU  33  -4.583   3.300  -1.778
  231   1HD2  LEU  33          2HD2      LEU  33  -5.384   3.485  -5.730
  232   2HD2  LEU  33          1HD2      LEU  33  -4.340   2.125  -5.324
  233   3HD2  LEU  33          3HD2      LEU  33  -5.873   2.339  -4.482
  234    H    ASP  34           H        ASP  34  -5.231   5.745  -7.315
  235    HA   ASP  34           HA       ASP  34  -4.171   8.471  -7.853
  236   1HB   ASP  34          1HB       ASP  34  -4.659   6.873  -9.791
  237   2HB   ASP  34          2HB       ASP  34  -6.363   7.012  -9.357
  238    H    GLY  35           H        GLY  35  -5.979  10.152  -7.997
  239   1HA   GLY  35          1HA       GLY  35  -7.262  10.552  -5.607
  240   2HA   GLY  35          2HA       GLY  35  -7.878  11.214  -7.110
  241    H    ASP  36           H        ASP  36  -8.411   8.232  -7.988
  242    HA   ASP  36           HA       ASP  36 -11.035   8.135  -6.570
  243   1HB   ASP  36          1HB       ASP  36 -10.133   7.585  -9.303
  244   2HB   ASP  36          2HB       ASP  36 -11.200   6.340  -8.654
  245    H    GLY  37           H        GLY  37  -8.347   6.885  -5.718
  246   1HA   GLY  37          1HA       GLY  37  -7.826   4.982  -4.436
  247   2HA   GLY  37          2HA       GLY  37  -9.478   4.424  -4.697
  248    H    ASN  38           H        ASN  38  -7.510   5.357  -7.437
  249    HA   ASN  38           HA       ASN  38  -7.748   2.565  -8.425
  250   1HB   ASN  38          1HB       ASN  38  -6.425   4.811  -9.945
  251   2HB   ASN  38          2HB       ASN  38  -7.287   3.409 -10.574
  252   1HD2  ASN  38          2HD2      ASN  38  -9.571   6.361 -10.830
  253   2HD2  ASN  38          1HD2      ASN  38  -8.053   5.961 -11.476
  254    H    ILE  39           H        ILE  39  -6.105   1.116  -8.306
  255    HA   ILE  39           HA       ILE  39  -3.612   1.733  -7.068
  256    HB   ILE  39           HB       ILE  39  -4.923  -0.613  -7.932
  257   1HG1  ILE  39          1HG1      ILE  39  -2.861  -1.650  -6.732
  258   2HG1  ILE  39          2HG1      ILE  39  -2.362   0.024  -6.481
  259   1HG2  ILE  39          2HG2      ILE  39  -3.466  -0.339 -10.041
  260   2HG2  ILE  39          1HG2      ILE  39  -2.103  -0.718  -8.988
  261   3HG2  ILE  39          3HG2      ILE  39  -3.403  -1.889  -9.203
  262   1HD1  ILE  39          1HD1      ILE  39  -4.870   0.295  -5.662
  263   2HD1  ILE  39          3HD1      ILE  39  -4.721  -1.437  -5.365
  264   3HD1  ILE  39          2HD1      ILE  39  -3.623  -0.309  -4.570
  265    H    LEU  40           H        LEU  40  -1.654   2.265  -7.814
  266    HA   LEU  40           HA       LEU  40  -1.429   2.910 -10.722
  267   1HB   LEU  40          1HB       LEU  40   0.425   3.972  -8.594
  268   2HB   LEU  40          2HB       LEU  40   0.031   4.672 -10.164
  269    HG   LEU  40           HG       LEU  40  -1.861   4.463  -7.795
  270   1HD1  LEU  40          3HD1      LEU  40   0.145   6.371  -8.477
  271   2HD1  LEU  40          2HD1      LEU  40  -1.429   7.122  -8.737
  272   3HD1  LEU  40          1HD1      LEU  40  -1.025   6.441  -7.161
  273   1HD2  LEU  40          1HD2      LEU  40  -2.728   4.338 -10.281
  274   2HD2  LEU  40          3HD2      LEU  40  -3.524   5.409  -9.130
  275   3HD2  LEU  40          2HD2      LEU  40  -2.365   6.063 -10.286
  276    H    GLN  41           H        GLN  41  -0.048   1.256  -7.970
  277    HA   GLN  41           HA       GLN  41   1.429  -0.560  -9.726
  278   1HB   GLN  41          1HB       GLN  41   3.523  -0.051  -8.042
  279   2HB   GLN  41          2HB       GLN  41   3.389   0.576  -9.678
  280   1HG   GLN  41          1HG       GLN  41   3.689   2.593  -8.678
  281   2HG   GLN  41          2HG       GLN  41   1.988   2.473  -8.260
  282   1HE2  GLN  41          2HE2      GLN  41   2.801   1.271  -4.889
  283   2HE2  GLN  41          1HE2      GLN  41   1.764   0.860  -6.161
  284    H    TYR  42           H        TYR  42   2.872  -2.047  -7.998
  285    HA   TYR  42           HA       TYR  42   1.428  -2.377  -5.461
  286   1HB   TYR  42          1HB       TYR  42   0.003  -3.394  -7.353
  287   2HB   TYR  42          2HB       TYR  42   1.230  -4.649  -7.444
  288    HD1  TYR  42           HD1      TYR  42  -0.900  -2.878  -4.919
  289    HD2  TYR  42           HD2      TYR  42   1.009  -6.536  -6.086
  290    HE1  TYR  42           HE1      TYR  42  -1.953  -4.030  -2.993
  291    HE2  TYR  42           HE2      TYR  42  -0.049  -7.691  -4.179
  292    HH   TYR  42           HH       TYR  42  -1.199  -7.434  -2.262
  293    H    ASN  43           H        ASN  43   3.092  -4.738  -7.552
  294    HA   ASN  43           HA       ASN  43   5.365  -5.486  -7.373
  295   1HB   ASN  43          1HB       ASN  43   6.757  -5.115  -5.565
  296   2HB   ASN  43          2HB       ASN  43   5.702  -3.714  -5.453
  297   1HD2  ASN  43          2HD2      ASN  43   6.009  -5.432  -2.098
  298   2HD2  ASN  43          1HD2      ASN  43   7.156  -4.868  -3.211
  299    H    ALA  44           H        ALA  44   6.257  -7.455  -5.851
  300    HA   ALA  44           HA       ALA  44   3.983  -9.350  -5.919
  301   1HB   ALA  44          2HB       ALA  44   6.447  -9.576  -6.949
  302   2HB   ALA  44          1HB       ALA  44   6.737 -10.313  -5.373
  303   3HB   ALA  44          3HB       ALA  44   5.499 -10.974  -6.440
  304    H    ALA  45           H        ALA  45   6.158  -7.987  -3.478
  305    HA   ALA  45           HA       ALA  45   6.019  -9.942  -1.478
  306   1HB   ALA  45          2HB       ALA  45   7.215  -7.722  -1.302
  307   2HB   ALA  45          1HB       ALA  45   5.654  -6.979  -0.957
  308   3HB   ALA  45          3HB       ALA  45   6.323  -8.178   0.150
  309    H    GLU  46           H        GLU  46   3.801  -7.203  -1.595
  310    HA   GLU  46           HA       GLU  46   1.946  -8.238   0.273
  311   1HB   GLU  46          1HB       GLU  46   0.262  -6.758  -1.215
  312   2HB   GLU  46          2HB       GLU  46   1.405  -6.050  -0.098
  313   1HG   GLU  46          1HG       GLU  46   3.010  -5.746  -1.959
  314   2HG   GLU  46          2HG       GLU  46   1.805  -6.384  -3.072
  315    HE2  GLU  46           HE1      GLU  46   1.683  -3.707  -3.954
  316    H    GLY  47           H        GLY  47   1.734  -8.299  -3.255
  317   1HA   GLY  47          1HA       GLY  47  -0.653  -9.836  -3.398
  318   2HA   GLY  47          2HA       GLY  47   0.579  -9.798  -4.667
  319    H    ASP  48           H        ASP  48   2.487 -10.820  -2.354
  320    HA   ASP  48           HA       ASP  48   2.134 -13.638  -3.069
  321   1HB   ASP  48          1HB       ASP  48   4.376 -12.437  -2.724
  322   2HB   ASP  48          2HB       ASP  48   4.038 -12.530  -0.995
  323    H    ILE  49           H        ILE  49   1.583 -11.574  -0.272
  324    HA   ILE  49           HA       ILE  49   0.839 -13.827   1.430
  325    HB   ILE  49           HB       ILE  49   1.546 -11.073   1.733
  326   1HG1  ILE  49          1HG1      ILE  49   2.662 -13.001   2.778
  327   2HG1  ILE  49          2HG1      ILE  49   2.139 -11.832   3.991
  328   1HG2  ILE  49          3HG2      ILE  49  -1.002 -11.925   3.088
  329   2HG2  ILE  49          2HG2      ILE  49   0.067 -10.725   3.814
  330   3HG2  ILE  49          1HG2      ILE  49  -0.663 -10.416   2.239
  331   1HD1  ILE  49          2HD1      ILE  49  -0.081 -13.455   3.725
  332   2HD1  ILE  49          1HD1      ILE  49   1.253 -14.597   3.562
  333   3HD1  ILE  49          3HD1      ILE  49   1.127 -13.588   5.002
  334    H    THR  50           H        THR  50  -0.869 -10.972   0.129
  335    HA   THR  50           HA       THR  50  -3.465 -12.161   0.790
  336    HB   THR  50           HB       THR  50  -4.399 -10.083   0.368
  337    HG1  THR  50           HG1      THR  50  -2.298  -9.428  -1.396
  338   1HG2  THR  50          2HG2      THR  50  -2.501  -9.824   2.005
  339   2HG2  THR  50          1HG2      THR  50  -1.505  -9.245   0.669
  340   3HG2  THR  50          3HG2      THR  50  -2.936  -8.340   1.157
  341    H    GLY  51           H        GLY  51  -1.397 -11.971  -2.008
  342   1HA   GLY  51          1HA       GLY  51  -1.725 -13.474  -3.882
  343   2HA   GLY  51          2HA       GLY  51  -3.445 -13.471  -3.522
  344    H    ARG  52           H        ARG  52  -2.969 -10.375  -3.173
  345    HA   ARG  52           HA       ARG  52  -4.174  -9.450  -5.496
  346   1HB   ARG  52          1HB       ARG  52  -2.560  -8.276  -3.356
  347   2HB   ARG  52          2HB       ARG  52  -2.490  -7.368  -4.861
  348   1HG   ARG  52          1HG       ARG  52  -5.188  -8.037  -4.563
  349   2HG   ARG  52          2HG       ARG  52  -4.667  -7.580  -2.948
  350   1HD   ARG  52          1HD       ARG  52  -3.503  -5.741  -4.790
  351   2HD   ARG  52          2HD       ARG  52  -5.211  -5.867  -5.176
  352    HE   ARG  52           HE       ARG  52  -5.339  -5.478  -2.485
  353   1HH1  ARG  52          1HH2      ARG  52  -3.562  -3.890  -5.037
  354   2HH1  ARG  52          2HH2      ARG  52  -3.433  -2.406  -4.164
  355   1HH2  ARG  52          2HH1      ARG  52  -5.144  -3.529  -1.389
  356   2HH2  ARG  52          1HH1      ARG  52  -4.321  -2.199  -2.126
  357    H    ASP  53           H        ASP  53  -3.469  -9.977  -7.519
  358    HA   ASP  53           HA       ASP  53  -0.639 -10.161  -8.202
  359   1HB   ASP  53          1HB       ASP  53  -3.191 -10.722  -9.484
  360   2HB   ASP  53          2HB       ASP  53  -2.122  -9.840 -10.575
  361    HA   PRO  54           HA       PRO  54  -0.123  -5.867  -9.056
  362   1HB   PRO  54          1HB       PRO  54   1.909  -5.968 -10.901
  363   2HB   PRO  54          2HB       PRO  54   2.141  -6.233  -9.165
  364   1HG   PRO  54          1HG       PRO  54   2.125  -8.230 -11.383
  365   2HG   PRO  54          2HG       PRO  54   2.936  -8.307  -9.811
  366   1HD   PRO  54          1HD       PRO  54   0.531  -9.631 -10.501
  367   2HD   PRO  54          2HD       PRO  54   1.175  -9.424  -8.858
  368    H    LYS  55           H        LYS  55  -0.028  -7.822 -12.066
  369    HA   LYS  55           HA       LYS  55  -0.992  -5.634 -13.691
  370   1HB   LYS  55          1HB       LYS  55   0.272  -8.000 -14.222
  371   2HB   LYS  55          2HB       LYS  55  -1.382  -8.375 -14.709
  372   1HG   LYS  55          1HG       LYS  55  -0.878  -5.784 -15.693
  373   2HG   LYS  55          2HG       LYS  55   0.576  -6.718 -16.052
  374   1HD   LYS  55          1HD       LYS  55  -0.626  -8.330 -17.299
  375   2HD   LYS  55          2HD       LYS  55  -2.175  -7.814 -16.630
  376   1HE   LYS  55          1HE       LYS  55  -2.114  -6.899 -18.827
  377   2HE   LYS  55          2HE       LYS  55  -1.731  -5.552 -17.755
  378   1HZ   LYS  55          1HZ       LYS  55   0.695  -6.487 -18.165
  379   2HZ   LYS  55          3HZ       LYS  55  -0.014  -6.990 -19.622
  380   3HZ   LYS  55          2HZ       LYS  55  -0.022  -5.345 -19.197
  381    H    GLN  56           H        GLN  56  -2.538  -7.980 -11.683
  382    HA   GLN  56           HA       GLN  56  -5.101  -7.763 -13.129
  383   1HB   GLN  56          1HB       GLN  56  -4.353  -9.899 -12.010
  384   2HB   GLN  56          2HB       GLN  56  -4.556  -9.085 -10.458
  385   1HG   GLN  56          1HG       GLN  56  -6.652 -10.039 -10.659
  386   2HG   GLN  56          2HG       GLN  56  -6.948  -8.507 -11.483
  387   1HE2  GLN  56          2HE2      GLN  56  -6.238 -11.729 -13.950
  388   2HE2  GLN  56          1HE2      GLN  56  -5.297 -11.537 -12.550
  389    H    VAL  57           H        VAL  57  -3.694  -6.712 -10.036
  390    HA   VAL  57           HA       VAL  57  -6.108  -5.352  -9.177
  391    HB   VAL  57           HB       VAL  57  -4.690  -4.391  -7.427
  392   1HG1  VAL  57          3HG1      VAL  57  -4.305  -7.302  -8.119
  393   2HG1  VAL  57          2HG1      VAL  57  -3.673  -6.618  -6.621
  394   3HG1  VAL  57          1HG1      VAL  57  -5.407  -6.594  -6.941
  395   1HG2  VAL  57          3HG2      VAL  57  -2.515  -5.351  -9.276
  396   2HG2  VAL  57          2HG2      VAL  57  -2.660  -3.802  -8.445
  397   3HG2  VAL  57          1HG2      VAL  57  -2.202  -5.247  -7.542
  398    H    ILE  58           H        ILE  58  -3.902  -4.653 -11.616
  399    HA   ILE  58           HA       ILE  58  -3.735  -1.801 -11.262
  400    HB   ILE  58           HB       ILE  58  -2.878  -3.803 -13.239
  401   1HG1  ILE  58          1HG1      ILE  58  -1.793  -1.035 -12.736
  402   2HG1  ILE  58          2HG1      ILE  58  -1.575  -2.339 -11.569
  403   1HG2  ILE  58          3HG2      ILE  58  -3.828  -1.088 -14.208
  404   2HG2  ILE  58          2HG2      ILE  58  -2.615  -2.035 -15.069
  405   3HG2  ILE  58          1HG2      ILE  58  -4.246  -2.673 -14.860
  406   1HD1  ILE  58          1HD1      ILE  58  -0.950  -3.141 -14.324
  407   2HD1  ILE  58          3HD1      ILE  58   0.087  -1.845 -13.723
  408   3HD1  ILE  58          2HD1      ILE  58  -0.013  -3.373 -12.847
  409    H    GLY  59           H        GLY  59  -5.330  -0.386 -11.531
  410   1HA   GLY  59          1HA       GLY  59  -7.174   0.627 -12.706
  411   2HA   GLY  59          2HA       GLY  59  -7.446  -0.902 -13.542
  412    H    LYS  60           H        LYS  60  -7.091  -2.170 -10.697
  413    HA   LYS  60           HA       LYS  60  -9.953  -2.218 -10.117
  414   1HB   LYS  60          1HB       LYS  60  -7.729  -3.403  -8.432
  415   2HB   LYS  60          2HB       LYS  60  -9.417  -3.910  -8.500
  416   1HG   LYS  60          1HG       LYS  60  -7.417  -4.105 -10.774
  417   2HG   LYS  60          2HG       LYS  60  -8.005  -5.451  -9.798
  418   1HD   LYS  60          1HD       LYS  60 -10.362  -4.330 -10.600
  419   2HD   LYS  60          2HD       LYS  60  -9.339  -4.001 -12.000
  420   1HE   LYS  60          1HE       LYS  60  -8.624  -6.518 -11.705
  421   2HE   LYS  60          2HE       LYS  60 -10.148  -6.644 -10.827
  422   1HZ   LYS  60          1HZ       LYS  60 -10.910  -5.279 -12.986
  423   2HZ   LYS  60          3HZ       LYS  60  -9.670  -6.223 -13.655
  424   3HZ   LYS  60          2HZ       LYS  60 -10.977  -6.973 -12.870
  425    H    ASN  61           H        ASN  61 -10.981  -1.212  -8.398
  426    HA   ASN  61           HA       ASN  61  -9.558   1.014  -7.134
  427   1HB   ASN  61          1HB       ASN  61 -12.317   0.215  -7.555
  428   2HB   ASN  61          2HB       ASN  61 -12.057   0.653  -5.867
  429   1HD2  ASN  61          2HD2      ASN  61 -11.166   3.548  -8.661
  430   2HD2  ASN  61          1HD2      ASN  61 -10.805   1.929  -9.013
  431    H    PHE  62           H        PHE  62  -8.044   0.170  -5.721
  432    HA   PHE  62           HA       PHE  62  -8.135  -2.066  -4.065
  433   1HB   PHE  62          1HB       PHE  62  -6.112  -0.873  -4.121
  434   2HB   PHE  62          2HB       PHE  62  -6.889   0.657  -3.745
  435    HD1  PHE  62           HD1      PHE  62  -7.473  -2.563  -1.989
  436    HD2  PHE  62           HD2      PHE  62  -5.631   1.300  -1.814
  437    HE1  PHE  62           HE1      PHE  62  -6.910  -2.930   0.395
  438    HE2  PHE  62           HE2      PHE  62  -5.107   0.938   0.583
  439    HZ   PHE  62           HZ       PHE  62  -5.770  -1.199   1.680
  440    H    PHE  63           H        PHE  63  -9.541   1.106  -3.409
  441    HA   PHE  63           HA       PHE  63 -10.379   0.200  -0.768
  442   1HB   PHE  63          1HB       PHE  63 -10.560   2.775  -2.290
  443   2HB   PHE  63          2HB       PHE  63 -11.619   2.535  -0.900
  444    HD1  PHE  63           HD2      PHE  63 -10.538   1.774   1.311
  445    HD2  PHE  63           HD1      PHE  63  -8.306   3.395  -1.981
  446    HE1  PHE  63           HE2      PHE  63  -8.659   2.287   2.839
  447    HE2  PHE  63           HE1      PHE  63  -6.423   3.909  -0.450
  448    HZ   PHE  63           HZ       PHE  63  -6.600   3.357   1.960
  449    H    LYS  64           H        LYS  64 -11.851   0.393  -3.936
  450    HA   LYS  64           HA       LYS  64 -14.377  -0.614  -2.708
  451   1HB   LYS  64          1HB       LYS  64 -14.159   1.935  -3.730
  452   2HB   LYS  64          2HB       LYS  64 -14.759   1.029  -5.120
  453   1HG   LYS  64          1HG       LYS  64 -16.745   0.465  -4.073
  454   2HG   LYS  64          2HG       LYS  64 -16.035   0.538  -2.459
  455   1HD   LYS  64          1HD       LYS  64 -17.278   2.490  -2.432
  456   2HD   LYS  64          2HD       LYS  64 -15.755   3.108  -3.070
  457   1HE   LYS  64          1HE       LYS  64 -16.597   3.394  -5.189
  458   2HE   LYS  64          2HE       LYS  64 -17.698   2.022  -5.049
  459   1HZ   LYS  64          2HZ       LYS  64 -18.790   3.573  -3.257
  460   2HZ   LYS  64          1HZ       LYS  64 -18.058   4.795  -4.183
  461   3HZ   LYS  64          3HZ       LYS  64 -19.168   3.735  -4.906
  462    H    ASP  65           H        ASP  65 -12.394  -2.221  -3.834
  463    HA   ASP  65           HA       ASP  65 -13.913  -3.647  -5.810
  464   1HB   ASP  65          1HB       ASP  65 -12.915  -1.562  -7.033
  465   2HB   ASP  65          2HB       ASP  65 -11.417  -2.495  -7.010
  466    H    VAL  66           H        VAL  66 -10.931  -3.259  -3.968
  467    HA   VAL  66           HA       VAL  66 -10.203  -6.053  -4.735
  468    HB   VAL  66           HB       VAL  66  -8.394  -4.020  -3.444
  469   1HG1  VAL  66          3HG1      VAL  66  -8.197  -6.761  -4.201
  470   2HG1  VAL  66          2HG1      VAL  66  -7.109  -5.829  -5.227
  471   3HG1  VAL  66          1HG1      VAL  66  -6.965  -5.736  -3.474
  472   1HG2  VAL  66          2HG2      VAL  66  -9.238  -3.074  -5.572
  473   2HG2  VAL  66          1HG2      VAL  66  -7.517  -3.451  -5.645
  474   3HG2  VAL  66          3HG2      VAL  66  -8.687  -4.523  -6.414
  475    H    ALA  67           H        ALA  67  -9.770  -3.740  -2.117
  476    HA   ALA  67           HA       ALA  67  -9.963  -5.939  -0.138
  477   1HB   ALA  67          2HB       ALA  67  -8.805  -3.154  -0.122
  478   2HB   ALA  67          1HB       ALA  67  -8.923  -4.147   1.333
  479   3HB   ALA  67          3HB       ALA  67  -7.936  -4.687  -0.027
  480    HA   PRO  68           HA       PRO  68 -13.970  -3.908   0.607
  481   1HB   PRO  68          1HB       PRO  68 -15.114  -6.094   1.820
  482   2HB   PRO  68          2HB       PRO  68 -15.077  -5.850   0.066
  483   1HG   PRO  68          1HG       PRO  68 -13.440  -7.702   1.741
  484   2HG   PRO  68          2HG       PRO  68 -13.939  -7.864   0.048
  485   1HD   PRO  68          1HD       PRO  68 -11.384  -7.062   0.924
  486   2HD   PRO  68          2HD       PRO  68 -12.028  -6.846  -0.717
  487    H    CYS  69           H        CYS  69 -11.446  -4.787   2.616
  488    HA   CYS  69           HA       CYS  69 -12.988  -4.121   5.072
  489   1HB   CYS  69          1HB       CYS  69 -11.377  -5.276   6.342
  490   2HB   CYS  69          2HB       CYS  69 -11.539  -6.269   4.897
  491    H    THR  70           H        THR  70 -10.575  -2.911   2.890
  492    HA   THR  70           HA       THR  70  -9.489  -0.985   4.818
  493    HB   THR  70           HB       THR  70  -8.330  -0.041   2.785
  494    HG1  THR  70           HG1      THR  70 -10.098  -0.866   1.394
  495   1HG2  THR  70          2HG2      THR  70  -8.079  -2.720   3.932
  496   2HG2  THR  70          1HG2      THR  70  -7.386  -2.605   2.314
  497   3HG2  THR  70          3HG2      THR  70  -6.831  -1.522   3.592
  498    H    ASP  71           H        ASP  71 -12.436  -1.145   3.370
  499    HA   ASP  71           HA       ASP  71 -12.599   1.751   2.750
  500   1HB   ASP  71          1HB       ASP  71 -13.689   0.192   1.182
  501   2HB   ASP  71          2HB       ASP  71 -14.669  -0.457   2.498
  502    H    SER  72           H        SER  72 -12.036   1.553   5.326
  503    HA   SER  72           HA       SER  72 -14.639   2.109   6.676
  504   1HB   SER  72          1HB       SER  72 -12.842  -0.061   7.240
  505   2HB   SER  72          2HB       SER  72 -12.836   1.052   8.605
  506    HG   SER  72           HG       SER  72 -14.560  -0.208   8.986
  507    HA   PRO  73           HA       PRO  73 -12.577   5.591   8.424
  508   1HB   PRO  73          1HB       PRO  73 -13.323   5.559  11.071
  509   2HB   PRO  73          2HB       PRO  73 -14.414   6.007   9.750
  510   1HG   PRO  73          1HG       PRO  73 -14.340   3.494  11.351
  511   2HG   PRO  73          2HG       PRO  73 -15.702   4.247  10.506
  512   1HD   PRO  73          1HD       PRO  73 -14.206   2.032   9.591
  513   2HD   PRO  73          2HD       PRO  73 -15.341   2.994   8.622
  514    H    GLU  74           H        GLU  74 -10.464   4.440   8.107
  515    HA   GLU  74           HA       GLU  74  -8.668   4.759  10.236
  516   1HB   GLU  74          1HB       GLU  74 -10.209   2.461  10.662
  517   2HB   GLU  74          2HB       GLU  74  -8.706   1.853   9.970
  518   1HG   GLU  74          1HG       GLU  74  -7.635   2.198  11.916
  519   2HG   GLU  74          2HG       GLU  74  -8.082   3.904  11.883
  520    H    PHE  75           H        PHE  75  -9.580   2.845   7.440
  521    HA   PHE  75           HA       PHE  75  -6.766   2.944   6.459
  522   1HB   PHE  75          1HB       PHE  75  -8.371   0.772   6.585
  523   2HB   PHE  75          2HB       PHE  75  -8.856   1.391   5.006
  524    HD1  PHE  75           HD1      PHE  75  -6.856   2.163   3.458
  525    HD2  PHE  75           HD2      PHE  75  -6.495  -0.626   6.698
  526    HE1  PHE  75           HE1      PHE  75  -4.795   1.261   2.443
  527    HE2  PHE  75           HE2      PHE  75  -4.412  -1.527   5.685
  528    HZ   PHE  75           HZ       PHE  75  -3.564  -0.584   3.554
  529    H    TYR  76           H        TYR  76 -10.063   3.039   5.012
  530    HA   TYR  76           HA       TYR  76  -9.116   4.889   2.948
  531   1HB   TYR  76          1HB       TYR  76 -11.030   3.138   2.714
  532   2HB   TYR  76          2HB       TYR  76 -12.023   4.337   3.539
  533    HD1  TYR  76           HD1      TYR  76  -9.253   4.735   1.036
  534    HD2  TYR  76           HD2      TYR  76 -13.417   5.320   1.925
  535    HE1  TYR  76           HE1      TYR  76  -9.531   5.975  -1.093
  536    HE2  TYR  76           HE2      TYR  76 -13.693   6.558  -0.205
  537    HH   TYR  76           HH       TYR  76 -11.912   7.964  -1.759
  538    H    GLY  77           H        GLY  77 -10.451   5.101   6.125
  539   1HA   GLY  77          1HA       GLY  77 -11.635   7.706   5.972
  540   2HA   GLY  77          2HA       GLY  77 -11.036   6.946   7.437
  541    H    LYS  78           H        LYS  78  -8.474   6.748   7.313
  542    HA   LYS  78           HA       LYS  78  -7.488   9.438   7.451
  543   1HB   LYS  78          1HB       LYS  78  -5.693   7.031   7.220
  544   2HB   LYS  78          2HB       LYS  78  -5.452   8.501   8.163
  545   1HG   LYS  78          1HG       LYS  78  -7.247   6.153   8.748
  546   2HG   LYS  78          2HG       LYS  78  -6.078   6.939   9.806
  547   1HD   LYS  78          1HD       LYS  78  -7.749   9.020   9.405
  548   2HD   LYS  78          2HD       LYS  78  -8.896   7.699   9.186
  549   1HE   LYS  78          1HE       LYS  78  -9.001   7.406  11.414
  550   2HE   LYS  78          2HE       LYS  78  -7.270   7.077  11.457
  551   1HZ   LYS  78          3HZ       LYS  78  -7.525   9.812  11.152
  552   2HZ   LYS  78          2HZ       LYS  78  -8.671   9.379  12.328
  553   3HZ   LYS  78          1HZ       LYS  78  -7.036   8.976  12.544
  554    H    PHE  79           H        PHE  79  -7.844   7.307   4.823
  555    HA   PHE  79           HA       PHE  79  -5.744   8.509   3.215
  556   1HB   PHE  79          1HB       PHE  79  -6.214   6.219   2.780
  557   2HB   PHE  79          2HB       PHE  79  -7.945   6.521   2.732
  558    HD1  PHE  79           HD1      PHE  79  -8.889   7.929   0.834
  559    HD2  PHE  79           HD2      PHE  79  -4.882   6.357   0.776
  560    HE1  PHE  79           HE1      PHE  79  -8.797   8.228  -1.627
  561    HE2  PHE  79           HE2      PHE  79  -4.823   6.637  -1.666
  562    HZ   PHE  79           HZ       PHE  79  -6.755   7.581  -2.870
  563    H    LYS  80           H        LYS  80  -9.223   8.735   3.609
  564    HA   LYS  80           HA       LYS  80  -9.533  10.569   1.413
  565   1HB   LYS  80          1HB       LYS  80 -11.280   9.220   3.355
  566   2HB   LYS  80          2HB       LYS  80 -11.792  10.861   2.958
  567   1HG   LYS  80          1HG       LYS  80 -11.140   9.878   0.482
  568   2HG   LYS  80          2HG       LYS  80 -11.780   8.439   1.276
  569   1HD   LYS  80          1HD       LYS  80 -13.897   9.252   1.300
  570   2HD   LYS  80          2HD       LYS  80 -13.366  10.866   1.773
  571   1HE   LYS  80          1HE       LYS  80 -12.684  10.003  -0.990
  572   2HE   LYS  80          2HE       LYS  80 -14.384  10.334  -0.666
  573   1HZ   LYS  80          1HZ       LYS  80 -13.390  12.442   0.476
  574   2HZ   LYS  80          3HZ       LYS  80 -12.084  12.149  -0.566
  575   3HZ   LYS  80          2HZ       LYS  80 -13.637  12.405  -1.204
  576    H    GLU  81           H        GLU  81  -8.381  10.765   4.582
  577    HA   GLU  81           HA       GLU  81  -9.174  13.625   4.807
  578   1HB   GLU  81          1HB       GLU  81  -8.590  13.570   7.098
  579   2HB   GLU  81          2HB       GLU  81  -9.414  12.043   6.798
  580   1HG   GLU  81          1HG       GLU  81  -7.565  11.286   7.930
  581   2HG   GLU  81          2HG       GLU  81  -6.959  11.221   6.279
  582    H    GLY  82           H        GLY  82  -6.398  11.520   4.460
  583   1HA   GLY  82          1HA       GLY  82  -4.402  13.615   4.605
  584   2HA   GLY  82          2HA       GLY  82  -4.162  12.015   3.891
  585    H    VAL  83           H        VAL  83  -6.287  12.071   2.049
  586    HA   VAL  83           HA       VAL  83  -5.089  13.328  -0.203
  587    HB   VAL  83           HB       VAL  83  -7.978  12.519   0.251
  588   1HG1  VAL  83          3HG1      VAL  83  -6.705  13.892  -1.949
  589   2HG1  VAL  83          2HG1      VAL  83  -7.266  12.304  -2.471
  590   3HG1  VAL  83          1HG1      VAL  83  -8.400  13.448  -1.753
  591   1HG2  VAL  83          2HG2      VAL  83  -5.792  10.903   0.252
  592   2HG2  VAL  83          1HG2      VAL  83  -7.379  10.393  -0.321
  593   3HG2  VAL  83          3HG2      VAL  83  -6.160  10.936  -1.472
  594    H    ALA  84           H        ALA  84  -8.030  14.334   1.579
  595    HA   ALA  84           HA       ALA  84  -8.251  16.858   0.230
  596   1HB   ALA  84          3HB       ALA  84  -9.811  15.413   2.000
  597   2HB   ALA  84          2HB       ALA  84  -9.307  16.799   2.965
  598   3HB   ALA  84          1HB       ALA  84 -10.154  17.049   1.440
  599    H    SER  85           H        SER  85  -6.231  15.770   2.820
  600    HA   SER  85           HA       SER  85  -5.754  18.413   3.953
  601   1HB   SER  85          1HB       SER  85  -4.750  15.659   4.383
  602   2HB   SER  85          2HB       SER  85  -3.613  16.950   4.761
  603    HG   SER  85           HG       SER  85  -4.976  16.400   6.535
  604    H    GLY  86           H        GLY  86  -4.342  16.444   1.417
  605   1HA   GLY  86          1HA       GLY  86  -2.954  17.251  -0.347
  606   2HA   GLY  86          2HA       GLY  86  -2.746  18.763   0.546
  607    H    ASN  87           H        ASN  87  -2.291  15.749   2.209
  608    HA   ASN  87           HA       ASN  87   0.524  15.432   1.723
  609   1HB   ASN  87          1HB       ASN  87   1.278  16.214   4.004
  610   2HB   ASN  87          2HB       ASN  87   0.778  17.519   2.928
  611   1HD2  ASN  87          2HD2      ASN  87  -1.337  18.633   5.531
  612   2HD2  ASN  87          1HD2      ASN  87  -0.025  18.990   4.516
  613    H    LEU  88           H        LEU  88  -1.246  13.500   1.668
  614    HA   LEU  88           HA       LEU  88  -2.170  12.227   3.972
  615   1HB   LEU  88          1HB       LEU  88  -2.202  11.556   1.385
  616   2HB   LEU  88          2HB       LEU  88  -0.885  10.504   1.906
  617    HG   LEU  88           HG       LEU  88  -2.947  10.340   3.870
  618   1HD1  LEU  88          3HD1      LEU  88  -3.984  10.829   1.230
  619   2HD1  LEU  88          2HD1      LEU  88  -4.344   9.165   1.691
  620   3HD1  LEU  88          1HD1      LEU  88  -4.873  10.499   2.717
  621   1HD2  LEU  88          2HD2      LEU  88  -1.235   8.623   3.224
  622   2HD2  LEU  88          1HD2      LEU  88  -2.874   7.975   3.281
  623   3HD2  LEU  88          3HD2      LEU  88  -2.128   8.351   1.728
  624    H    ASN  89           H        ASN  89  -1.156  11.452   5.745
  625    HA   ASN  89           HA       ASN  89   1.415  10.081   5.556
  626   1HB   ASN  89          1HB       ASN  89   2.190  12.412   5.595
  627   2HB   ASN  89          2HB       ASN  89   1.210  12.728   7.026
  628   1HD2  ASN  89          2HD2      ASN  89   4.814  10.894   7.423
  629   2HD2  ASN  89          1HD2      ASN  89   4.216  11.325   5.895
  630    H    THR  90           H        THR  90   0.149   8.371   6.537
  631    HA   THR  90           HA       THR  90  -0.012   8.645   9.464
  632    HB   THR  90           HB       THR  90  -2.181   9.534   8.874
  633    HG1  THR  90           HG1      THR  90  -3.498   7.714   9.681
  634   1HG2  THR  90          3HG2      THR  90  -1.935   7.876   6.642
  635   2HG2  THR  90          2HG2      THR  90  -3.272   7.179   7.557
  636   3HG2  THR  90          1HG2      THR  90  -3.333   8.867   7.055
  637    H    MET  91           H        MET  91  -0.744   6.534  10.471
  638    HA   MET  91           HA       MET  91  -0.359   4.151   8.744
  639   1HB   MET  91          1HB       MET  91   1.283   3.226  10.414
  640   2HB   MET  91          2HB       MET  91   1.901   4.609   9.512
  641   1HG   MET  91          2HG       MET  91   2.424   5.412  11.578
  642   2HG   MET  91          1HG       MET  91   0.718   5.861  11.629
  643   1HE   MET  91          3HE       MET  91   1.859   5.898  14.077
  644   2HE   MET  91          2HE       MET  91   0.127   5.632  14.253
  645   3HE   MET  91          1HE       MET  91   1.259   4.680  15.211
  646    H    PHE  92           H        PHE  92  -0.804   2.104  10.167
  647    HA   PHE  92           HA       PHE  92  -2.159   2.385  12.680
  648   1HB   PHE  92          1HB       PHE  92  -4.498   1.890  11.868
  649   2HB   PHE  92          2HB       PHE  92  -3.923   3.516  11.500
  650    HD1  PHE  92           HD1      PHE  92  -4.157   0.075  10.026
  651    HD2  PHE  92           HD2      PHE  92  -3.905   4.293   9.297
  652    HE1  PHE  92           HE1      PHE  92  -4.520  -0.324   7.608
  653    HE2  PHE  92           HE2      PHE  92  -4.266   3.896   6.882
  654    HZ   PHE  92           HZ       PHE  92  -4.555   1.591   6.033
  655    H    GLU  93           H        GLU  93  -3.099   0.325  13.416
  656    HA   GLU  93           HA       GLU  93  -1.803  -1.956  12.042
  657   1HB   GLU  93          1HB       GLU  93  -3.166  -1.661  14.731
  658   2HB   GLU  93          2HB       GLU  93  -2.573  -3.205  14.117
  659   1HG   GLU  93          1HG       GLU  93  -0.896  -0.711  14.528
  660   2HG   GLU  93          2HG       GLU  93  -0.891  -2.133  15.571
  661    H    TYR  94           H        TYR  94  -2.999  -3.021  10.526
  662    HA   TYR  94           HA       TYR  94  -5.949  -3.236  11.001
  663   1HB   TYR  94          1HB       TYR  94  -4.767  -1.907   8.914
  664   2HB   TYR  94          2HB       TYR  94  -5.007  -3.511   8.220
  665    HD1  TYR  94           HD1      TYR  94  -6.868  -1.074  10.394
  666    HD2  TYR  94           HD2      TYR  94  -7.044  -3.916   7.177
  667    HE1  TYR  94           HE1      TYR  94  -9.279  -0.580  10.091
  668    HE2  TYR  94           HE2      TYR  94  -9.458  -3.422   6.874
  669    HH   TYR  94           HH       TYR  94 -11.364  -2.258   8.885
  670    H    THR  95           H        THR  95  -6.711  -5.082   9.277
  671    HA   THR  95           HA       THR  95  -4.865  -7.389   9.316
  672    HB   THR  95           HB       THR  95  -7.553  -7.407  10.729
  673    HG1  THR  95           HG1      THR  95  -6.226  -6.753  12.239
  674   1HG2  THR  95          2HG2      THR  95  -6.187  -9.501   9.393
  675   2HG2  THR  95          1HG2      THR  95  -5.956  -9.767  11.120
  676   3HG2  THR  95          3HG2      THR  95  -7.585  -9.637  10.458
  677    H    PHE  96           H        PHE  96  -5.004  -8.053   7.222
  678    HA   PHE  96           HA       PHE  96  -7.473  -7.568   5.695
  679   1HB   PHE  96          1HB       PHE  96  -4.899  -8.923   4.839
  680   2HB   PHE  96          2HB       PHE  96  -6.203  -8.409   3.773
  681    HD1  PHE  96           HD1      PHE  96  -6.655  -5.801   5.651
  682    HD2  PHE  96           HD2      PHE  96  -3.328  -7.511   3.532
  683    HE1  PHE  96           HE1      PHE  96  -5.612  -3.558   5.475
  684    HE2  PHE  96           HE2      PHE  96  -2.289  -5.268   3.360
  685    HZ   PHE  96           HZ       PHE  96  -3.429  -3.293   4.330
  686    H    ASP  97           H        ASP  97  -9.096  -9.009   5.693
  687    HA   ASP  97           HA       ASP  97  -8.430 -11.921   5.806
  688   1HB   ASP  97          1HB       ASP  97 -10.834 -10.661   7.159
  689   2HB   ASP  97          2HB       ASP  97 -10.279 -12.330   7.297
  690    H    TYR  98           H        TYR  98  -8.940 -10.226   3.520
  691    HA   TYR  98           HA       TYR  98 -11.709 -10.651   2.716
  692   1HB   TYR  98          1HB       TYR  98 -11.163  -9.448   0.738
  693   2HB   TYR  98          2HB       TYR  98 -10.269  -8.676   2.038
  694    HD1  TYR  98           HD2      TYR  98  -8.286 -11.269   2.048
  695    HD2  TYR  98           HD1      TYR  98  -9.582  -8.394  -0.863
  696    HE1  TYR  98           HE2      TYR  98  -6.189 -11.605   0.779
  697    HE2  TYR  98           HE1      TYR  98  -7.483  -8.741  -2.134
  698    HH   TYR  98           HH       TYR  98  -5.758 -10.431  -2.405
  699    H    GLN  99           H        GLN  99 -11.747 -12.976   2.928
  700    HA   GLN  99           HA       GLN  99 -11.932 -15.080   1.879
  701   1HB   GLN  99          1HB       GLN  99 -10.410 -14.248  -0.549
  702   2HB   GLN  99          2HB       GLN  99 -11.860 -15.231  -0.424
  703   1HG   GLN  99          1HG       GLN  99 -11.625 -12.209  -0.468
  704   2HG   GLN  99          2HG       GLN  99 -12.608 -13.261  -1.474
  705   1HE2  GLN  99          2HE2      GLN  99 -14.789 -13.908   1.548
  706   2HE2  GLN  99          1HE2      GLN  99 -13.731 -14.895   0.659
  707    H    MET 100           H        MET 100  -9.556 -14.082   3.412
  708    HA   MET 100           HA       MET 100  -7.751 -16.298   2.664
  709   1HB   MET 100          1HB       MET 100  -7.130 -13.925   1.590
  710   2HB   MET 100          2HB       MET 100  -6.428 -13.673   3.188
  711   1HG   MET 100          2HG       MET 100  -5.802 -16.317   2.112
  712   2HG   MET 100          1HG       MET 100  -5.218 -15.017   1.072
  713   1HE   MET 100          2HE       MET 100  -4.782 -12.864   2.257
  714   2HE   MET 100          1HE       MET 100  -4.252 -12.677   3.926
  715   3HE   MET 100          3HE       MET 100  -3.064 -12.920   2.638
  716    H    THR 101           H        THR 101  -5.997 -16.499   4.405
  717    HA   THR 101           HA       THR 101  -7.142 -16.728   6.960
  718    HB   THR 101           HB       THR 101  -4.461 -16.291   7.519
  719    HG1  THR 101           HG1      THR 101  -3.413 -16.401   5.729
  720   1HG2  THR 101          1HG2      THR 101  -5.799 -18.810   6.499
  721   2HG2  THR 101          3HG2      THR 101  -4.294 -18.753   7.415
  722   3HG2  THR 101          2HG2      THR 101  -5.804 -18.245   8.169
  723    HA   PRO 102           HA       PRO 102  -7.027 -12.702   8.712
  724   1HB   PRO 102          1HB       PRO 102  -6.096 -13.141  11.264
  725   2HB   PRO 102          2HB       PRO 102  -7.728 -13.573  10.726
  726   1HG   PRO 102          1HG       PRO 102  -5.386 -15.350  11.232
  727   2HG   PRO 102          2HG       PRO 102  -7.117 -15.720  11.318
  728   1HD   PRO 102          1HD       PRO 102  -5.385 -16.411   9.195
  729   2HD   PRO 102          2HD       PRO 102  -7.160 -16.459   9.147
  730    H    THR 103           H        THR 103  -5.197 -12.097   7.216
  731    HA   THR 103           HA       THR 103  -2.465 -12.206   8.172
  732    HB   THR 103           HB       THR 103  -3.854 -10.741   5.922
  733    HG1  THR 103           HG1      THR 103  -2.212 -12.086   4.812
  734   1HG2  THR 103          2HG2      THR 103  -1.227 -10.133   7.127
  735   2HG2  THR 103          1HG2      THR 103  -1.181 -10.402   5.385
  736   3HG2  THR 103          3HG2      THR 103  -2.228  -9.152   6.059
  737    H    LYS 104           H        LYS 104  -1.404 -10.754   9.434
  738    HA   LYS 104           HA       LYS 104  -2.904  -8.297  10.242
  739   1HB   LYS 104          1HB       LYS 104  -1.101 -10.161  11.689
  740   2HB   LYS 104          2HB       LYS 104  -0.745  -8.453  11.950
  741   1HG   LYS 104          1HG       LYS 104  -2.369  -8.549  13.513
  742   2HG   LYS 104          2HG       LYS 104  -3.476  -8.478  12.142
  743   1HD   LYS 104          1HD       LYS 104  -4.035 -10.694  12.303
  744   2HD   LYS 104          2HD       LYS 104  -2.419 -11.167  12.828
  745   1HE   LYS 104          1HE       LYS 104  -3.238 -11.309  14.923
  746   2HE   LYS 104          2HE       LYS 104  -3.397  -9.553  14.901
  747   1HZ   LYS 104          3HZ       LYS 104  -5.602  -9.844  13.883
  748   2HZ   LYS 104          2HZ       LYS 104  -5.447 -11.527  14.052
  749   3HZ   LYS 104          1HZ       LYS 104  -5.503 -10.535  15.429
  750    H    VAL 105           H        VAL 105  -1.719  -6.282  10.091
  751    HA   VAL 105           HA       VAL 105   1.030  -6.395   9.092
  752    HB   VAL 105           HB       VAL 105   0.606  -5.191   7.003
  753   1HG1  VAL 105          2HG1      VAL 105   0.520  -7.701   6.991
  754   2HG1  VAL 105          1HG1      VAL 105  -1.232  -7.607   7.169
  755   3HG1  VAL 105          3HG1      VAL 105  -0.457  -6.975   5.716
  756   1HG2  VAL 105          3HG2      VAL 105  -2.088  -4.942   8.163
  757   2HG2  VAL 105          2HG2      VAL 105  -1.273  -3.920   6.980
  758   3HG2  VAL 105          1HG2      VAL 105  -2.093  -5.391   6.457
  759    H    LYS 106           H        LYS 106   2.094  -4.471   9.493
  760    HA   LYS 106           HA       LYS 106   0.554  -2.336  10.860
  761   1HB   LYS 106          1HB       LYS 106   2.838  -1.307  11.199
  762   2HB   LYS 106          2HB       LYS 106   2.704  -2.914  11.910
  763   1HG   LYS 106          1HG       LYS 106   3.555  -3.044   9.131
  764   2HG   LYS 106          2HG       LYS 106   4.658  -2.068  10.097
  765   1HD   LYS 106          1HD       LYS 106   4.076  -4.274  11.718
  766   2HD   LYS 106          2HD       LYS 106   4.263  -4.953  10.101
  767   1HE   LYS 106          1HE       LYS 106   6.454  -4.016   9.860
  768   2HE   LYS 106          2HE       LYS 106   6.251  -3.010  11.295
  769   1HZ   LYS 106          2HZ       LYS 106   5.874  -5.296  12.439
  770   2HZ   LYS 106          1HZ       LYS 106   6.732  -5.901  11.104
  771   3HZ   LYS 106          3HZ       LYS 106   7.453  -4.755  12.125
  772    H    VAL 107           H        VAL 107  -0.023  -0.511   9.610
  773    HA   VAL 107           HA       VAL 107   0.965  -0.627   6.808
  774    HB   VAL 107           HB       VAL 107  -1.096   0.113   6.086
  775   1HG1  VAL 107          3HG1      VAL 107  -1.319  -1.730   8.009
  776   2HG1  VAL 107          2HG1      VAL 107  -2.355  -0.472   8.668
  777   3HG1  VAL 107          1HG1      VAL 107  -2.682  -1.127   7.069
  778   1HG2  VAL 107          1HG2      VAL 107  -0.730   2.274   7.785
  779   2HG2  VAL 107          3HG2      VAL 107  -2.118   2.015   6.752
  780   3HG2  VAL 107          2HG2      VAL 107  -2.155   1.512   8.432
  781    H    HIS 108           H        HIS 108   1.355   1.390   5.694
  782    HA   HIS 108           HA       HIS 108   1.802   3.830   7.257
  783   1HB   HIS 108          1HB       HIS 108   3.909   2.292   7.516
  784   2HB   HIS 108          2HB       HIS 108   4.230   2.734   5.838
  785    HD1  HIS 108           HD1      HIS 108   6.255   3.781   7.767
  786    HD2  HIS 108           HD2      HIS 108   2.730   5.863   6.962
  787    HE1  HIS 108           HE1      HIS 108   6.690   6.195   8.398
  788    H    MET 109           H        MET 109   0.555   4.971   5.778
  789    HA   MET 109           HA       MET 109   1.341   4.756   2.893
  790   1HB   MET 109          1HB       MET 109  -1.257   6.014   3.385
  791   2HB   MET 109          2HB       MET 109  -0.861   4.675   2.322
  792   1HG   MET 109          2HG       MET 109  -2.216   3.542   3.807
  793   2HG   MET 109          1HG       MET 109  -0.703   3.375   4.689
  794   1HE   MET 109          1HE       MET 109  -4.082   4.354   4.443
  795   2HE   MET 109          3HE       MET 109  -4.490   5.492   5.734
  796   3HE   MET 109          2HE       MET 109  -3.740   6.072   4.250
  797    H    LYS 110           H        LYS 110   1.532   6.762   1.651
  798    HA   LYS 110           HA       LYS 110   1.176   9.268   3.240
  799   1HB   LYS 110          1HB       LYS 110   3.643   8.136   3.156
  800   2HB   LYS 110          2HB       LYS 110   3.711   9.134   1.708
  801   1HG   LYS 110          1HG       LYS 110   3.038  11.097   3.072
  802   2HG   LYS 110          2HG       LYS 110   3.029  10.074   4.506
  803   1HD   LYS 110          1HD       LYS 110   5.314   9.960   4.607
  804   2HD   LYS 110          2HD       LYS 110   5.496  10.001   2.854
  805   1HE   LYS 110          1HE       LYS 110   5.424  12.314   2.760
  806   2HE   LYS 110          2HE       LYS 110   4.466  12.447   4.237
  807   1HZ   LYS 110          2HZ       LYS 110   7.157  11.319   4.443
  808   2HZ   LYS 110          1HZ       LYS 110   7.022  12.995   4.203
  809   3HZ   LYS 110          3HZ       LYS 110   6.294  12.272   5.552
  810    H    LYS 111           H        LYS 111   1.973  11.167   1.527
  811    HA   LYS 111           HA       LYS 111   0.289  10.669  -0.847
  812   1HB   LYS 111          1HB       LYS 111  -0.066  12.765   0.343
  813   2HB   LYS 111          2HB       LYS 111   1.639  13.185   0.182
  814   1HG   LYS 111          1HG       LYS 111   1.438  13.705  -2.062
  815   2HG   LYS 111          2HG       LYS 111   0.111  12.572  -2.314
  816   1HD   LYS 111          1HD       LYS 111  -1.278  14.346  -2.202
  817   2HD   LYS 111          2HD       LYS 111  -0.908  14.412  -0.480
  818   1HE   LYS 111          1HE       LYS 111   0.588  15.860  -2.684
  819   2HE   LYS 111          2HE       LYS 111  -0.486  16.598  -1.496
  820   1HZ   LYS 111          1HZ       LYS 111   1.320  15.133  -0.029
  821   2HZ   LYS 111          3HZ       LYS 111   2.253  15.873  -1.239
  822   3HZ   LYS 111          2HZ       LYS 111   1.290  16.822  -0.212
  823    H    ALA 112           H        ALA 112   1.341   9.666  -2.482
  824    HA   ALA 112           HA       ALA 112   4.155   9.637  -2.868
  825   1HB   ALA 112          1HB       ALA 112   2.047   8.303  -3.959
  826   2HB   ALA 112          3HB       ALA 112   2.493   9.368  -5.291
  827   3HB   ALA 112          2HB       ALA 112   3.684   8.264  -4.614
  828    H    LEU 113           H        LEU 113   5.523  10.985  -3.992
  829    HA   LEU 113           HA       LEU 113   4.618  13.661  -4.605
  830   1HB   LEU 113          1HB       LEU 113   7.178  12.179  -4.645
  831   2HB   LEU 113          2HB       LEU 113   7.061  13.505  -5.803
  832    HG   LEU 113           HG       LEU 113   6.387  15.033  -3.984
  833   1HD1  LEU 113          2HD1      LEU 113   6.262  12.468  -2.526
  834   2HD1  LEU 113          1HD1      LEU 113   7.030  13.782  -1.634
  835   3HD1  LEU 113          3HD1      LEU 113   5.384  13.972  -2.238
  836   1HD2  LEU 113          1HD2      LEU 113   8.798  14.716  -4.551
  837   2HD2  LEU 113          3HD2      LEU 113   8.556  15.143  -2.857
  838   3HD2  LEU 113          2HD2      LEU 113   8.901  13.471  -3.305
  839    H    SER 114           H        SER 114   4.430  10.766  -6.359
  840    HA   SER 114           HA       SER 114   5.015  11.427  -9.007
  841   1HB   SER 114          1HB       SER 114   3.100   9.610  -7.669
  842   2HB   SER 114          2HB       SER 114   2.699  10.031  -9.331
  843    HG   SER 114           HG       SER 114   4.076   8.411  -9.625
  844    H    GLY 115           H        GLY 115   2.378  12.596  -7.009
  845   1HA   GLY 115          1HA       GLY 115   1.715  14.936  -8.020
  846   2HA   GLY 115          2HA       GLY 115   1.161  13.943  -9.367
  847    H    ASP 116           H        ASP 116   0.569  14.799  -6.010
  848    HA   ASP 116           HA       ASP 116  -1.305  14.440  -4.637
  849   1HB   ASP 116          1HB       ASP 116  -2.700  14.325  -7.329
  850   2HB   ASP 116          2HB       ASP 116  -3.468  14.647  -5.775
  851    H    SER 117           H        SER 117   0.203  12.061  -5.560
  852    HA   SER 117           HA       SER 117  -1.864  10.008  -5.984
  853   1HB   SER 117          1HB       SER 117   1.030  10.191  -6.255
  854   2HB   SER 117          2HB       SER 117   0.544   8.712  -5.429
  855    HG   SER 117           HG       SER 117  -0.175   9.667  -7.989
  856    H    TYR 118           H        TYR 118  -1.237   7.905  -4.487
  857    HA   TYR 118           HA       TYR 118  -0.860   8.678  -1.656
  858   1HB   TYR 118          1HB       TYR 118  -3.394   7.280  -2.536
  859   2HB   TYR 118          2HB       TYR 118  -3.047   7.919  -0.927
  860    HD1  TYR 118           HD2      TYR 118  -2.772  10.448  -0.686
  861    HD2  TYR 118           HD1      TYR 118  -4.355   8.556  -4.201
  862    HE1  TYR 118           HE2      TYR 118  -3.783  12.591  -1.392
  863    HE2  TYR 118           HE1      TYR 118  -5.368  10.683  -4.897
  864    HH   TYR 118           HH       TYR 118  -4.540  13.494  -4.041
  865    H    TRP 119           H        TRP 119   0.705   7.093  -1.185
  866    HA   TRP 119           HA       TRP 119   0.094   4.381  -2.168
  867   1HB   TRP 119          1HB       TRP 119   2.516   3.879  -1.807
  868   2HB   TRP 119          2HB       TRP 119   2.149   4.999  -3.105
  869    HD1  TRP 119           HD1      TRP 119   3.447   7.157  -3.068
  870    HE1  TRP 119           HE1      TRP 119   4.976   8.369  -1.390
  871    HE3  TRP 119           HE3      TRP 119   2.670   4.231   0.878
  872    HZ2  TRP 119           HZ2      TRP 119   5.782   8.057   1.363
  873    HZ3  TRP 119           HZ3      TRP 119   3.820   4.644   3.060
  874    HH2  TRP 119           HH2      TRP 119   5.373   6.553   3.298
  875    H    VAL 120           H        VAL 120   0.092   2.608  -0.898
  876    HA   VAL 120           HA       VAL 120   0.239   3.134   2.035
  877    HB   VAL 120           HB       VAL 120  -1.564   1.126   0.662
  878   1HG1  VAL 120          3HG1      VAL 120  -0.877   1.852   3.430
  879   2HG1  VAL 120          2HG1      VAL 120  -2.611   1.760   3.123
  880   3HG1  VAL 120          1HG1      VAL 120  -1.584   0.364   2.798
  881   1HG2  VAL 120          2HG2      VAL 120  -1.934   3.752   0.323
  882   2HG2  VAL 120          1HG2      VAL 120  -3.292   2.668   0.620
  883   3HG2  VAL 120          3HG2      VAL 120  -2.619   3.619   1.941
  884    H    PHE 121           H        PHE 121   2.158   2.215   2.555
  885    HA   PHE 121           HA       PHE 121   3.047  -0.270   1.298
  886   1HB   PHE 121          1HB       PHE 121   4.317   1.208   3.616
  887   2HB   PHE 121          2HB       PHE 121   5.076  -0.010   2.597
  888    HD1  PHE 121           HD1      PHE 121   3.494   1.296   0.070
  889    HD2  PHE 121           HD2      PHE 121   6.231   2.707   3.056
  890    HE1  PHE 121           HE1      PHE 121   4.270   3.063  -1.486
  891    HE2  PHE 121           HE2      PHE 121   6.988   4.496   1.509
  892    HZ   PHE 121           HZ       PHE 121   6.011   4.661  -0.760
  893    H    VAL 122           H        VAL 122   2.182  -2.174   2.065
  894    HA   VAL 122           HA       VAL 122   1.393  -2.235   4.917
  895    HB   VAL 122           HB       VAL 122   0.488  -3.637   2.463
  896   1HG1  VAL 122          3HG1      VAL 122   0.823  -5.096   5.091
  897   2HG1  VAL 122          2HG1      VAL 122  -0.458  -5.529   3.960
  898   3HG1  VAL 122          1HG1      VAL 122   1.233  -5.656   3.471
  899   1HG2  VAL 122          3HG2      VAL 122  -0.565  -2.363   4.905
  900   2HG2  VAL 122          2HG2      VAL 122  -1.225  -2.380   3.271
  901   3HG2  VAL 122          1HG2      VAL 122  -1.494  -3.752   4.346
  902    H    LYS 123           H        LYS 123   2.847  -2.960   6.283
  903    HA   LYS 123           HA       LYS 123   4.954  -4.854   5.339
  904   1HB   LYS 123          1HB       LYS 123   5.275  -2.631   6.813
  905   2HB   LYS 123          2HB       LYS 123   4.942  -3.766   8.118
  906   1HG   LYS 123          1HG       LYS 123   6.934  -4.806   7.889
  907   2HG   LYS 123          2HG       LYS 123   6.826  -4.807   6.129
  908   1HD   LYS 123          1HD       LYS 123   7.619  -2.542   5.995
  909   2HD   LYS 123          2HD       LYS 123   7.475  -2.327   7.739
  910   1HE   LYS 123          1HE       LYS 123   9.455  -4.048   6.238
  911   2HE   LYS 123          2HE       LYS 123   9.793  -2.717   7.342
  912   1HZ   LYS 123          2HZ       LYS 123   8.450  -4.246   8.978
  913   2HZ   LYS 123          1HZ       LYS 123   8.991  -5.470   7.930
  914   3HZ   LYS 123          3HZ       LYS 123  10.114  -4.478   8.724
  915    H    ARG 124           H        ARG 124   4.716  -7.021   5.871
  916    HA   ARG 124           HA       ARG 124   2.418  -7.910   7.354
  917   1HB   ARG 124          1HB       ARG 124   3.509  -9.395   5.744
  918   2HB   ARG 124          2HB       ARG 124   4.994  -9.379   6.696
  919   1HG   ARG 124          1HG       ARG 124   4.213 -10.958   8.109
  920   2HG   ARG 124          2HG       ARG 124   2.675 -10.118   8.308
  921   1HD   ARG 124          1HD       ARG 124   1.869 -11.061   6.184
  922   2HD   ARG 124          2HD       ARG 124   3.411 -11.886   5.955
  923    HE   ARG 124           HE       ARG 124   1.401 -12.566   8.049
  924   1HH1  ARG 124          2HH1      ARG 124   4.645 -12.934   7.107
  925   2HH1  ARG 124          1HH1      ARG 124   4.679 -14.650   7.333
  926   1HH2  ARG 124          1HH2      ARG 124   1.284 -14.900   7.995
  927   2HH2  ARG 124          2HH2      ARG 124   2.776 -15.764   7.828
  928    H    VAL 125           H        VAL 125   2.218  -8.602   9.507
  929    HA   VAL 125           HA       VAL 125   4.068  -7.359  11.399
  930    HB   VAL 125           HB       VAL 125   2.500  -8.390  13.088
  931   1HG1  VAL 125          2HG1      VAL 125   2.145  -6.161  11.775
  932   2HG1  VAL 125          1HG1      VAL 125   0.888  -7.060  10.927
  933   3HG1  VAL 125          3HG1      VAL 125   0.788  -6.840  12.673
  934   1HG2  VAL 125          3HG2      VAL 125   2.038 -10.283  11.308
  935   2HG2  VAL 125          2HG2      VAL 125   0.776  -9.793  12.438
  936   3HG2  VAL 125          1HG2      VAL 125   0.772  -9.184  10.794
  937    H2   HC4  69           H2       HC4  69  -7.280  -4.821   3.059
  938    H3   HC4  69           H3       HC4  69  -7.676  -7.569   1.782
  939    H2'  HC4  69           H2'      HC4  69  -5.970  -8.047   0.063
  940    H3'  HC4  69           H3'      HC4  69  -3.968  -7.408  -1.266
  941    H5'  HC4  69           H5'      HC4  69  -3.839  -3.597   0.750
  942    H6'  HC4  69           H6'      HC4  69  -5.832  -4.238   2.065
   
  No H/Q in entry =         942
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1  21.403   5.264  15.716
    2   2H    MET   1           H3       MET   1  21.589   3.578  15.679
    3   3H    MET   1           H2       MET   1  22.843   4.581  15.124
    4    HA   MET   1           HA       MET   1  21.744   5.146  13.188
    5   1HB   MET   1          1HB       MET   1  20.807   2.328  13.808
    6   2HB   MET   1          2HB       MET   1  21.054   3.022  12.206
    7   1HG   MET   1          2HG       MET   1  23.412   3.140  12.505
    8   2HG   MET   1          1HG       MET   1  23.282   2.872  14.243
    9   1HE   MET   1          1HE       MET   1  25.336   1.406  13.039
   10   2HE   MET   1          3HE       MET   1  25.065  -0.191  12.329
   11   3HE   MET   1          2HE       MET   1  24.722   1.261  11.394
   12    H    GLU   2           H        GLU   2  19.931   6.185  12.484
   13    HA   GLU   2           HA       GLU   2  17.511   6.109  14.129
   14   1HB   GLU   2          1HB       GLU   2  18.481   7.692  11.787
   15   2HB   GLU   2          2HB       GLU   2  16.739   7.601  12.053
   16   1HG   GLU   2          1HG       GLU   2  18.595   8.258  14.331
   17   2HG   GLU   2          2HG       GLU   2  18.069   9.518  13.215
   18    H    HIS   3           H        HIS   3  15.870   4.691  13.802
   19    HA   HIS   3           HA       HIS   3  15.914   2.718  11.752
   20   1HB   HIS   3          1HB       HIS   3  14.524   2.962  14.041
   21   2HB   HIS   3          2HB       HIS   3  13.278   3.483  12.906
   22    HD1  HIS   3           HD1      HIS   3  15.109   0.490  14.090
   23    HD2  HIS   3           HD2      HIS   3  12.617   1.476  10.897
   24    HE1  HIS   3           HE1      HIS   3  14.388  -1.699  13.040
   25    H    VAL   4           H        VAL   4  14.659   2.508   9.858
   26    HA   VAL   4           HA       VAL   4  14.169   4.994   8.425
   27    HB   VAL   4           HB       VAL   4  15.014   2.601   7.634
   28   1HG1  VAL   4          2HG1      VAL   4  12.540   1.778   8.275
   29   2HG1  VAL   4          1HG1      VAL   4  12.244   2.250   6.607
   30   3HG1  VAL   4          3HG1      VAL   4  13.475   1.046   6.973
   31   1HG2  VAL   4          1HG2      VAL   4  13.277   4.479   6.014
   32   2HG2  VAL   4          3HG2      VAL   4  15.029   4.495   6.169
   33   3HG2  VAL   4          2HG2      VAL   4  14.234   3.180   5.309
   34    H    ALA   5           H        ALA   5  11.818   4.040   6.981
   35    HA   ALA   5           HA       ALA   5   9.700   5.222   8.460
   36   1HB   ALA   5          1HB       ALA   5   9.796   4.864   5.961
   37   2HB   ALA   5          3HB       ALA   5   9.533   3.145   6.246
   38   3HB   ALA   5          2HB       ALA   5   8.282   4.310   6.675
   39    H    PHE   6           H        PHE   6   7.870   2.735   7.768
   40    HA   PHE   6           HA       PHE   6   8.249   1.441  10.401
   41   1HB   PHE   6          1HB       PHE   6   6.072   0.513  10.135
   42   2HB   PHE   6          2HB       PHE   6   5.959   2.176   9.589
   43    HD1  PHE   6           HD2      PHE   6   7.573   1.124   6.846
   44    HD2  PHE   6           HD1      PHE   6   3.927   0.193   8.899
   45    HE1  PHE   6           HE2      PHE   6   6.583   0.377   4.735
   46    HE2  PHE   6           HE1      PHE   6   2.955  -0.572   6.760
   47    HZ   PHE   6           HZ       PHE   6   4.263  -0.491   4.705
   48    H    GLY   7           H        GLY   7  10.331   1.000   8.721
   49   1HA   GLY   7          1HA       GLY   7  11.624  -0.982   8.380
   50   2HA   GLY   7          2HA       GLY   7  10.132  -1.877   8.093
   51    H    SER   8           H        SER   8  10.574   1.307   6.683
   52    HA   SER   8           HA       SER   8  10.800   0.006   4.017
   53   1HB   SER   8          1HB       SER   8   9.923   2.814   4.053
   54   2HB   SER   8          2HB       SER   8   9.308   1.453   3.148
   55    HG   SER   8           HG       SER   8   8.424   0.706   5.187
   56    H    GLU   9           H        GLU   9  12.862   0.067   3.370
   57    HA   GLU   9           HA       GLU   9  14.987   1.697   4.080
   58   1HB   GLU   9          1HB       GLU   9  14.375  -0.122   2.000
   59   2HB   GLU   9          2HB       GLU   9  14.977   1.330   1.201
   60   1HG   GLU   9          1HG       GLU   9  17.045   0.519   1.672
   61   2HG   GLU   9          2HG       GLU   9  16.729   1.067   3.320
   62    H    ASP  10           H        ASP  10  13.300   2.231   1.042
   63    HA   ASP  10           HA       ASP  10  12.733   5.037   1.511
   64   1HB   ASP  10          1HB       ASP  10  15.135   4.182  -0.088
   65   2HB   ASP  10          2HB       ASP  10  14.188   5.556  -0.660
   66    H    ILE  11           H        ILE  11  10.661   4.212   0.927
   67    HA   ILE  11           HA       ILE  11  10.330   2.726  -1.529
   68    HB   ILE  11           HB       ILE  11   8.055   3.988  -0.191
   69   1HG1  ILE  11          1HG1      ILE  11   9.393   3.205   1.718
   70   2HG1  ILE  11          2HG1      ILE  11   7.990   2.170   1.485
   71   1HG2  ILE  11          3HG2      ILE  11   8.417   2.120  -2.167
   72   2HG2  ILE  11          2HG2      ILE  11   8.071   1.127  -0.753
   73   3HG2  ILE  11          1HG2      ILE  11   6.926   2.354  -1.268
   74   1HD1  ILE  11          1HD1      ILE  11  10.384   1.376  -0.051
   75   2HD1  ILE  11          3HD1      ILE  11  10.523   1.217   1.698
   76   3HD1  ILE  11          2HD1      ILE  11   9.225   0.394   0.838
   77    H    GLU  12           H        GLU  12   8.871   5.836  -0.520
   78    HA   GLU  12           HA       GLU  12   7.825   6.567  -2.953
   79   1HB   GLU  12          1HB       GLU  12   7.851   7.887  -0.728
   80   2HB   GLU  12          2HB       GLU  12   9.343   8.612  -1.327
   81   1HG   GLU  12          1HG       GLU  12   7.687   8.814  -3.516
   82   2HG   GLU  12          2HG       GLU  12   6.567   9.072  -2.178
   83    H    ASN  13           H        ASN  13  11.237   6.472  -2.158
   84    HA   ASN  13           HA       ASN  13  11.973   7.885  -4.654
   85   1HB   ASN  13          1HB       ASN  13  13.261   8.120  -2.449
   86   2HB   ASN  13          2HB       ASN  13  13.831   6.473  -2.722
   87   1HD2  ASN  13          2HD2      ASN  13  16.375   7.579  -4.874
   88   2HD2  ASN  13          1HD2      ASN  13  15.830   6.434  -3.747
   89    H    THR  14           H        THR  14  12.021   4.658  -3.222
   90    HA   THR  14           HA       THR  14  13.275   3.376  -5.516
   91    HB   THR  14           HB       THR  14  11.869   2.426  -3.009
   92    HG1  THR  14           HG1      THR  14  13.897   1.704  -2.540
   93   1HG2  THR  14          3HG2      THR  14  12.760   0.724  -5.355
   94   2HG2  THR  14          2HG2      THR  14  12.473   0.083  -3.737
   95   3HG2  THR  14          1HG2      THR  14  11.148   0.809  -4.646
   96    H    LEU  15           H        LEU  15  10.220   4.685  -5.024
   97    HA   LEU  15           HA       LEU  15   8.834   2.715  -6.735
   98   1HB   LEU  15          1HB       LEU  15   7.810   5.103  -5.167
   99   2HB   LEU  15          2HB       LEU  15   6.800   3.983  -6.077
  100    HG   LEU  15           HG       LEU  15   8.659   3.044  -3.905
  101   1HD1  LEU  15          2HD1      LEU  15   6.196   4.571  -3.660
  102   2HD1  LEU  15          1HD1      LEU  15   6.066   2.989  -2.894
  103   3HD1  LEU  15          3HD1      LEU  15   7.345   4.102  -2.412
  104   1HD2  LEU  15          2HD2      LEU  15   6.991   1.767  -5.799
  105   2HD2  LEU  15          1HD2      LEU  15   7.835   1.019  -4.444
  106   3HD2  LEU  15          3HD2      LEU  15   6.184   1.606  -4.238
  107    H    ALA  16           H        ALA  16  10.116   5.958  -6.683
  108    HA   ALA  16           HA       ALA  16   8.832   6.655  -9.254
  109   1HB   ALA  16          2HB       ALA  16  10.589   8.150  -7.300
  110   2HB   ALA  16          1HB       ALA  16  10.176   8.814  -8.880
  111   3HB   ALA  16          3HB       ALA  16   8.904   8.468  -7.709
  112    H    LYS  17           H        LYS  17  11.905   5.578  -7.994
  113    HA   LYS  17           HA       LYS  17  13.166   6.025 -10.657
  114   1HB   LYS  17          1HB       LYS  17  14.132   6.032  -7.896
  115   2HB   LYS  17          2HB       LYS  17  15.115   5.012  -8.946
  116   1HG   LYS  17          1HG       LYS  17  14.377   7.552 -10.202
  117   2HG   LYS  17          2HG       LYS  17  15.329   7.766  -8.731
  118   1HD   LYS  17          1HD       LYS  17  17.027   6.203  -9.593
  119   2HD   LYS  17          2HD       LYS  17  16.078   5.977 -11.062
  120   1HE   LYS  17          1HE       LYS  17  16.462   8.183 -11.796
  121   2HE   LYS  17          2HE       LYS  17  16.936   8.731 -10.188
  122   1HZ   LYS  17          2HZ       LYS  17  18.758   6.864 -10.583
  123   2HZ   LYS  17          1HZ       LYS  17  18.488   7.308 -12.200
  124   3HZ   LYS  17          3HZ       LYS  17  18.982   8.476 -11.073
  125    H    MET  18           H        MET  18  11.183   3.910  -9.973
  126    HA   MET  18           HA       MET  18  12.890   1.543 -10.609
  127   1HB   MET  18          1HB       MET  18  12.094   1.168  -8.391
  128   2HB   MET  18          2HB       MET  18  10.493   1.792  -8.778
  129   1HG   MET  18          2HG       MET  18  11.442  -0.560 -10.346
  130   2HG   MET  18          1HG       MET  18  11.007  -0.841  -8.658
  131   1HE   MET  18          3HE       MET  18   9.049   0.033  -7.564
  132   2HE   MET  18          2HE       MET  18   8.605   1.551  -8.341
  133   3HE   MET  18          1HE       MET  18   7.442   0.229  -8.276
  134    H    ASP  19           H        ASP  19  12.115   0.233 -12.289
  135    HA   ASP  19           HA       ASP  19   9.961   1.438 -13.922
  136   1HB   ASP  19          1HB       ASP  19  10.699  -0.243 -15.631
  137   2HB   ASP  19          2HB       ASP  19  11.997   0.828 -15.106
  138    H    ASP  20           H        ASP  20  10.769  -1.718 -12.441
  139    HA   ASP  20           HA       ASP  20   8.077  -2.263 -11.679
  140   1HB   ASP  20          1HB       ASP  20   8.037  -2.435 -14.289
  141   2HB   ASP  20          2HB       ASP  20   8.860  -3.973 -14.030
  142    H    GLY  21           H        GLY  21  11.198  -3.623 -12.674
  143   1HA   GLY  21          1HA       GLY  21  10.799  -5.842 -10.728
  144   2HA   GLY  21          2HA       GLY  21  12.035  -5.805 -11.985
  145    H    GLN  22           H        GLN  22  11.049  -3.976  -9.081
  146    HA   GLN  22           HA       GLN  22  13.846  -4.026  -8.146
  147   1HB   GLN  22          1HB       GLN  22  12.828  -1.779  -9.533
  148   2HB   GLN  22          2HB       GLN  22  12.851  -1.335  -7.826
  149   1HG   GLN  22          1HG       GLN  22  15.202  -1.957  -7.651
  150   2HG   GLN  22          2HG       GLN  22  15.200  -2.544  -9.316
  151   1HE2  GLN  22          2HE2      GLN  22  15.014   1.524  -8.686
  152   2HE2  GLN  22          1HE2      GLN  22  14.402   0.478  -7.499
  153    H    LEU  23           H        LEU  23  10.614  -2.632  -7.559
  154    HA   LEU  23           HA       LEU  23  11.000  -2.738  -4.670
  155   1HB   LEU  23          1HB       LEU  23   8.930  -1.645  -4.485
  156   2HB   LEU  23          2HB       LEU  23   9.556  -1.048  -6.016
  157    HG   LEU  23           HG       LEU  23   7.604  -3.357  -5.747
  158   1HD1  LEU  23          1HD1      LEU  23   7.212  -0.415  -6.301
  159   2HD1  LEU  23          3HD1      LEU  23   6.034  -1.626  -6.814
  160   3HD1  LEU  23          2HD1      LEU  23   6.399  -1.419  -5.101
  161   1HD2  LEU  23          1HD2      LEU  23   8.884  -1.917  -8.059
  162   2HD2  LEU  23          3HD2      LEU  23   8.705  -3.651  -7.802
  163   3HD2  LEU  23          2HD2      LEU  23   7.305  -2.678  -8.251
  164    H    ASP  24           H        ASP  24  10.394  -5.141  -6.883
  165    HA   ASP  24           HA       ASP  24   8.308  -6.605  -5.512
  166   1HB   ASP  24          1HB       ASP  24  10.320  -7.243  -7.647
  167   2HB   ASP  24          2HB       ASP  24   9.430  -8.556  -6.878
  168    H    GLY  25           H        GLY  25  11.502  -5.964  -4.625
  169   1HA   GLY  25          1HA       GLY  25  11.782  -8.536  -3.159
  170   2HA   GLY  25          2HA       GLY  25  13.081  -7.372  -3.426
  171    H    LEU  26           H        LEU  26   9.840  -6.509  -2.337
  172    HA   LEU  26           HA       LEU  26  11.052  -5.582   0.214
  173   1HB   LEU  26          1HB       LEU  26   8.534  -4.624  -1.186
  174   2HB   LEU  26          2HB       LEU  26   9.196  -3.965   0.309
  175    HG   LEU  26           HG       LEU  26  10.942  -4.092  -2.129
  176   1HD1  LEU  26          2HD1      LEU  26   8.671  -3.034  -2.696
  177   2HD1  LEU  26          1HD1      LEU  26   9.096  -1.767  -1.547
  178   3HD1  LEU  26          3HD1      LEU  26  10.094  -2.030  -2.978
  179   1HD2  LEU  26          3HD2      LEU  26  11.358  -3.281   0.443
  180   2HD2  LEU  26          2HD2      LEU  26  12.247  -2.637  -0.938
  181   3HD2  LEU  26          1HD2      LEU  26  10.856  -1.761  -0.299
  182    H    ALA  27           H        ALA  27   9.963  -6.043   2.119
  183    HA   ALA  27           HA       ALA  27   8.142  -8.380   2.025
  184   1HB   ALA  27          1HB       ALA  27  10.252  -7.997   3.601
  185   2HB   ALA  27          3HB       ALA  27   9.067  -7.153   4.596
  186   3HB   ALA  27          2HB       ALA  27   8.827  -8.853   4.191
  187    H    PHE  28           H        PHE  28   7.405  -5.486   1.415
  188    HA   PHE  28           HA       PHE  28   4.887  -5.518   2.851
  189   1HB   PHE  28          1HB       PHE  28   5.098  -3.180   3.694
  190   2HB   PHE  28          2HB       PHE  28   6.185  -4.299   4.490
  191    HD1  PHE  28           HD2      PHE  28   8.493  -4.518   2.676
  192    HD2  PHE  28           HD1      PHE  28   6.087  -1.103   3.675
  193    HE1  PHE  28           HE2      PHE  28  10.388  -3.034   2.132
  194    HE2  PHE  28           HE1      PHE  28   7.975   0.370   3.123
  195    HZ   PHE  28           HZ       PHE  28  10.149  -0.583   2.355
  196    H    GLY  29           H        GLY  29   3.526  -5.228   1.302
  197   1HA   GLY  29          1HA       GLY  29   4.035  -4.491  -1.333
  198   2HA   GLY  29          2HA       GLY  29   2.447  -4.365  -0.589
  199    H    ALA  30           H        ALA  30   4.501  -2.588  -2.320
  200    HA   ALA  30           HA       ALA  30   3.921  -0.085  -0.794
  201   1HB   ALA  30          2HB       ALA  30   5.922  -0.589  -3.028
  202   2HB   ALA  30          1HB       ALA  30   5.626   0.982  -2.284
  203   3HB   ALA  30          3HB       ALA  30   6.308  -0.332  -1.325
  204    H    ILE  31           H        ILE  31   1.692  -0.187  -1.525
  205    HA   ILE  31           HA       ILE  31   1.239  -0.053  -4.435
  206    HB   ILE  31           HB       ILE  31  -1.074  -0.365  -3.937
  207   1HG1  ILE  31          1HG1      ILE  31  -1.655  -0.370  -1.337
  208   2HG1  ILE  31          2HG1      ILE  31  -0.306   0.766  -1.269
  209   1HG2  ILE  31          3HG2      ILE  31   0.590  -1.850  -1.885
  210   2HG2  ILE  31          2HG2      ILE  31  -1.049  -2.291  -2.360
  211   3HG2  ILE  31          1HG2      ILE  31   0.259  -2.366  -3.535
  212   1HD1  ILE  31          2HD1      ILE  31  -2.123   1.324  -3.490
  213   2HD1  ILE  31          1HD1      ILE  31  -2.930   1.406  -1.924
  214   3HD1  ILE  31          3HD1      ILE  31  -1.516   2.410  -2.240
  215    H    GLN  32           H        GLN  32   0.115   1.689  -5.435
  216    HA   GLN  32           HA       GLN  32   0.064   4.222  -3.868
  217   1HB   GLN  32          1HB       GLN  32   0.472   4.954  -6.560
  218   2HB   GLN  32          2HB       GLN  32   1.599   5.155  -5.231
  219   1HG   GLN  32          1HG       GLN  32   2.206   2.627  -5.761
  220   2HG   GLN  32          2HG       GLN  32   1.520   3.016  -7.335
  221   1HE2  GLN  32          2HE2      GLN  32   4.041   5.816  -7.576
  222   2HE2  GLN  32          1HE2      GLN  32   2.349   5.795  -7.429
  223    H    LEU  33           H        LEU  33  -1.510   5.832  -4.986
  224    HA   LEU  33           HA       LEU  33  -3.559   4.428  -6.608
  225   1HB   LEU  33          1HB       LEU  33  -4.161   5.783  -3.954
  226   2HB   LEU  33          2HB       LEU  33  -5.373   5.180  -5.080
  227    HG   LEU  33           HG       LEU  33  -3.219   3.436  -3.855
  228   1HD1  LEU  33          3HD1      LEU  33  -4.760   4.356  -2.132
  229   2HD1  LEU  33          2HD1      LEU  33  -6.128   3.730  -3.052
  230   3HD1  LEU  33          1HD1      LEU  33  -4.958   2.616  -2.343
  231   1HD2  LEU  33          3HD2      LEU  33  -4.728   2.997  -6.085
  232   2HD2  LEU  33          2HD2      LEU  33  -4.160   1.709  -5.023
  233   3HD2  LEU  33          1HD2      LEU  33  -5.793   2.348  -4.839
  234    H    ASP  34           H        ASP  34  -5.214   6.023  -7.443
  235    HA   ASP  34           HA       ASP  34  -4.225   8.835  -7.365
  236   1HB   ASP  34          1HB       ASP  34  -4.611   9.074  -9.767
  237   2HB   ASP  34          2HB       ASP  34  -3.426   7.807  -9.455
  238    H    GLY  35           H        GLY  35  -5.767  10.122  -6.787
  239   1HA   GLY  35          1HA       GLY  35  -7.830  10.944  -6.082
  240   2HA   GLY  35          2HA       GLY  35  -8.184  10.756  -7.792
  241    H    ASP  36           H        ASP  36  -9.093   8.686  -8.433
  242    HA   ASP  36           HA       ASP  36 -11.311   7.945  -6.741
  243   1HB   ASP  36          1HB       ASP  36 -11.293   7.935  -9.277
  244   2HB   ASP  36          2HB       ASP  36 -10.339   6.453  -9.188
  245    H    GLY  37           H        GLY  37  -8.123   6.993  -6.543
  246   1HA   GLY  37          1HA       GLY  37  -7.287   5.403  -4.985
  247   2HA   GLY  37          2HA       GLY  37  -8.883   4.658  -4.928
  248    H    ASN  38           H        ASN  38  -7.816   5.307  -8.130
  249    HA   ASN  38           HA       ASN  38  -7.755   2.485  -8.754
  250   1HB   ASN  38          1HB       ASN  38  -7.531   4.997 -10.218
  251   2HB   ASN  38          2HB       ASN  38  -6.367   3.809 -10.806
  252   1HD2  ASN  38          2HD2      ASN  38 -10.154   3.419 -11.947
  253   2HD2  ASN  38          1HD2      ASN  38  -9.472   4.854 -11.348
  254    H    ILE  39           H        ILE  39  -5.912   1.176  -9.209
  255    HA   ILE  39           HA       ILE  39  -3.672   1.763  -7.507
  256    HB   ILE  39           HB       ILE  39  -4.646  -0.564  -8.383
  257   1HG1  ILE  39          1HG1      ILE  39  -2.206  -1.467  -8.012
  258   2HG1  ILE  39          2HG1      ILE  39  -1.843   0.220  -7.640
  259   1HG2  ILE  39          1HG2      ILE  39  -2.415  -0.021 -10.347
  260   2HG2  ILE  39          3HG2      ILE  39  -3.168  -1.584 -10.053
  261   3HG2  ILE  39          2HG2      ILE  39  -4.117  -0.266 -10.742
  262   1HD1  ILE  39          1HD1      ILE  39  -4.182  -0.221  -6.227
  263   2HD1  ILE  39          3HD1      ILE  39  -3.336  -1.758  -6.062
  264   3HD1  ILE  39          2HD1      ILE  39  -2.557  -0.263  -5.542
  265    H    LEU  40           H        LEU  40  -1.696   2.489  -7.900
  266    HA   LEU  40           HA       LEU  40  -1.022   3.315 -10.686
  267   1HB   LEU  40          1HB       LEU  40   0.551   4.317  -8.343
  268   2HB   LEU  40          2HB       LEU  40   0.194   5.118  -9.866
  269    HG   LEU  40           HG       LEU  40  -1.821   4.641  -7.646
  270   1HD1  LEU  40          2HD1      LEU  40   0.121   6.777  -8.198
  271   2HD1  LEU  40          1HD1      LEU  40  -1.534   7.359  -8.014
  272   3HD1  LEU  40          3HD1      LEU  40  -0.778   6.431  -6.721
  273   1HD2  LEU  40          1HD2      LEU  40  -2.561   4.754 -10.129
  274   2HD2  LEU  40          3HD2      LEU  40  -3.366   5.823  -8.979
  275   3HD2  LEU  40          2HD2      LEU  40  -2.105   6.456 -10.036
  276    H    GLN  41           H        GLN  41  -0.105   1.549  -7.789
  277    HA   GLN  41           HA       GLN  41   1.587  -0.218  -9.298
  278   1HB   GLN  41          1HB       GLN  41   3.078   1.831  -8.829
  279   2HB   GLN  41          2HB       GLN  41   3.006   1.353  -7.135
  280   1HG   GLN  41          1HG       GLN  41   5.030   0.494  -8.433
  281   2HG   GLN  41          2HG       GLN  41   4.100  -0.735  -7.577
  282   1HE2  GLN  41          2HE2      GLN  41   3.014  -0.614 -11.492
  283   2HE2  GLN  41          1HE2      GLN  41   2.978   0.792 -10.565
  284    H    TYR  42           H        TYR  42   2.568  -1.931  -7.803
  285    HA   TYR  42           HA       TYR  42   1.139  -2.161  -5.209
  286   1HB   TYR  42          1HB       TYR  42   0.025  -3.263  -7.437
  287   2HB   TYR  42          2HB       TYR  42   1.049  -4.590  -6.907
  288    HD1  TYR  42           HD1      TYR  42  -1.408  -2.117  -5.501
  289    HD2  TYR  42           HD2      TYR  42   0.216  -6.090  -5.335
  290    HE1  TYR  42           HE1      TYR  42  -3.118  -2.750  -3.812
  291    HE2  TYR  42           HE2      TYR  42  -1.487  -6.718  -3.657
  292    HH   TYR  42           HH       TYR  42  -3.438  -6.113  -2.705
  293    H    ASN  43           H        ASN  43   2.876  -4.400  -7.349
  294    HA   ASN  43           HA       ASN  43   5.123  -5.179  -7.148
  295   1HB   ASN  43          1HB       ASN  43   6.485  -4.841  -5.314
  296   2HB   ASN  43          2HB       ASN  43   5.403  -3.465  -5.154
  297   1HD2  ASN  43          2HD2      ASN  43   5.717  -5.293  -1.859
  298   2HD2  ASN  43          1HD2      ASN  43   6.864  -4.664  -2.940
  299    H    ALA  44           H        ALA  44   5.800  -7.347  -6.579
  300    HA   ALA  44           HA       ALA  44   3.514  -9.108  -6.291
  301   1HB   ALA  44          2HB       ALA  44   6.390  -9.387  -6.924
  302   2HB   ALA  44          1HB       ALA  44   5.622 -10.798  -6.200
  303   3HB   ALA  44          3HB       ALA  44   4.986 -10.121  -7.698
  304    H    ALA  45           H        ALA  45   5.685  -7.779  -3.952
  305    HA   ALA  45           HA       ALA  45   5.841  -9.934  -2.108
  306   1HB   ALA  45          2HB       ALA  45   6.930  -7.563  -2.004
  307   2HB   ALA  45          1HB       ALA  45   5.442  -7.097  -1.180
  308   3HB   ALA  45          3HB       ALA  45   6.476  -8.347  -0.491
  309    H    GLU  46           H        GLU  46   3.512  -7.220  -1.958
  310    HA   GLU  46           HA       GLU  46   1.809  -8.534  -0.062
  311   1HB   GLU  46          1HB       GLU  46   0.139  -6.826  -0.725
  312   2HB   GLU  46          2HB       GLU  46   1.722  -6.114  -0.456
  313   1HG   GLU  46          1HG       GLU  46   2.124  -6.366  -2.948
  314   2HG   GLU  46          2HG       GLU  46   0.418  -6.750  -3.089
  315    HE1  GLU  46           HE1      GLU  46  -0.802  -5.145  -1.558
  316    H    GLY  47           H        GLY  47   1.743  -8.274  -3.581
  317   1HA   GLY  47          1HA       GLY  47  -0.708  -9.652  -4.035
  318   2HA   GLY  47          2HA       GLY  47   0.630  -9.574  -5.188
  319    H    ASP  48           H        ASP  48   2.328 -10.835  -2.859
  320    HA   ASP  48           HA       ASP  48   1.827 -13.596  -3.748
  321   1HB   ASP  48          1HB       ASP  48   4.146 -12.537  -3.455
  322   2HB   ASP  48          2HB       ASP  48   3.877 -12.692  -1.717
  323    H    ILE  49           H        ILE  49   1.397 -11.618  -0.871
  324    HA   ILE  49           HA       ILE  49   0.792 -13.867   0.859
  325    HB   ILE  49           HB       ILE  49   1.113 -11.002   1.043
  326   1HG1  ILE  49          1HG1      ILE  49   1.926 -11.645   3.314
  327   2HG1  ILE  49          2HG1      ILE  49   1.397 -13.296   2.984
  328   1HG2  ILE  49          1HG2      ILE  49  -1.152 -12.281   2.532
  329   2HG2  ILE  49          3HG2      ILE  49  -0.244 -10.958   3.261
  330   3HG2  ILE  49          2HG2      ILE  49  -1.098 -10.706   1.739
  331   1HD1  ILE  49          3HD1      ILE  49   2.846 -12.924   0.774
  332   2HD1  ILE  49          2HD1      ILE  49   3.677 -11.766   1.811
  333   3HD1  ILE  49          1HD1      ILE  49   3.589 -13.463   2.280
  334    H    THR  50           H        THR  50  -1.076 -11.429  -0.892
  335    HA   THR  50           HA       THR  50  -3.549 -12.951  -0.221
  336    HB   THR  50           HB       THR  50  -4.386 -10.926   0.369
  337    HG1  THR  50           HG1      THR  50  -4.129 -10.189  -2.342
  338   1HG2  THR  50          2HG2      THR  50  -1.853 -10.053   0.040
  339   2HG2  THR  50          1HG2      THR  50  -2.623  -9.168  -1.273
  340   3HG2  THR  50          3HG2      THR  50  -3.185  -8.976   0.383
  341    H    GLY  51           H        GLY  51  -1.364 -12.782  -2.666
  342   1HA   GLY  51          1HA       GLY  51  -1.554 -13.770  -4.801
  343   2HA   GLY  51          2HA       GLY  51  -3.292 -13.873  -4.552
  344    H    ARG  52           H        ARG  52  -2.583 -10.741  -3.828
  345    HA   ARG  52           HA       ARG  52  -3.651  -9.836  -6.383
  346   1HB   ARG  52          1HB       ARG  52  -3.070  -8.631  -3.745
  347   2HB   ARG  52          2HB       ARG  52  -3.055  -7.535  -5.127
  348   1HG   ARG  52          1HG       ARG  52  -5.264  -8.702  -5.800
  349   2HG   ARG  52          2HG       ARG  52  -5.300  -9.275  -4.136
  350   1HD   ARG  52          1HD       ARG  52  -4.701  -6.482  -4.118
  351   2HD   ARG  52          2HD       ARG  52  -6.120  -6.744  -5.132
  352    HE   ARG  52           HE       ARG  52  -6.152  -6.859  -2.305
  353   1HH1  ARG  52          2HH1      ARG  52  -8.165  -7.425  -4.819
  354   2HH1  ARG  52          1HH1      ARG  52  -9.004  -8.777  -4.141
  355   1HH2  ARG  52          1HH2      ARG  52  -6.701  -9.309  -1.621
  356   2HH2  ARG  52          2HH2      ARG  52  -8.179  -9.837  -2.345
  357    H    ASP  53           H        ASP  53  -1.881 -10.521  -7.762
  358    HA   ASP  53           HA       ASP  53   0.781  -9.456  -7.547
  359   1HB   ASP  53          1HB       ASP  53  -0.690 -11.123  -9.350
  360   2HB   ASP  53          2HB       ASP  53   0.057  -9.838 -10.297
  361    HA   PRO  54           HA       PRO  54   0.238  -5.413  -9.227
  362   1HB   PRO  54          1HB       PRO  54   2.094  -5.188 -11.245
  363   2HB   PRO  54          2HB       PRO  54   2.510  -5.182  -9.523
  364   1HG   PRO  54          1HG       PRO  54   2.894  -7.342 -11.536
  365   2HG   PRO  54          2HG       PRO  54   3.782  -7.038 -10.035
  366   1HD   PRO  54          1HD       PRO  54   1.774  -8.996 -10.422
  367   2HD   PRO  54          2HD       PRO  54   2.454  -8.492  -8.860
  368    H    LYS  55           H        LYS  55   0.341  -7.860 -11.806
  369    HA   LYS  55           HA       LYS  55  -1.000  -6.204 -13.756
  370   1HB   LYS  55          1HB       LYS  55   0.446  -8.318 -14.158
  371   2HB   LYS  55          2HB       LYS  55  -1.021  -9.218 -13.769
  372   1HG   LYS  55          1HG       LYS  55  -1.433  -8.991 -16.004
  373   2HG   LYS  55          2HG       LYS  55  -2.023  -7.399 -15.520
  374   1HD   LYS  55          1HD       LYS  55   0.479  -6.676 -15.794
  375   2HD   LYS  55          2HD       LYS  55   0.607  -8.135 -16.778
  376   1HE   LYS  55          1HE       LYS  55  -0.097  -6.774 -18.463
  377   2HE   LYS  55          2HE       LYS  55  -1.694  -7.051 -17.767
  378   1HZ   LYS  55          1HZ       LYS  55   0.109  -4.830 -16.975
  379   2HZ   LYS  55          3HZ       LYS  55  -1.149  -4.678 -18.103
  380   3HZ   LYS  55          2HZ       LYS  55  -1.502  -5.063 -16.485
  381    H    GLN  56           H        GLN  56  -2.044  -8.245 -11.133
  382    HA   GLN  56           HA       GLN  56  -4.800  -8.426 -12.133
  383   1HB   GLN  56          1HB       GLN  56  -3.628 -10.197 -10.699
  384   2HB   GLN  56          2HB       GLN  56  -3.840  -9.088  -9.343
  385   1HG   GLN  56          1HG       GLN  56  -6.062  -9.513  -9.190
  386   2HG   GLN  56          2HG       GLN  56  -6.278  -9.483 -10.940
  387   1HE2  GLN  56          2HE2      GLN  56  -4.734 -13.052  -9.658
  388   2HE2  GLN  56          1HE2      GLN  56  -3.954 -11.598  -9.257
  389    H    VAL  57           H        VAL  57  -3.061  -6.699  -9.549
  390    HA   VAL  57           HA       VAL  57  -5.421  -5.305  -8.616
  391    HB   VAL  57           HB       VAL  57  -3.806  -3.868  -7.408
  392   1HG1  VAL  57          2HG1      VAL  57  -3.431  -6.862  -7.387
  393   2HG1  VAL  57          1HG1      VAL  57  -2.613  -5.817  -6.225
  394   3HG1  VAL  57          3HG1      VAL  57  -4.375  -5.869  -6.277
  395   1HG2  VAL  57          2HG2      VAL  57  -2.008  -5.043  -9.430
  396   2HG2  VAL  57          1HG2      VAL  57  -1.859  -3.530  -8.537
  397   3HG2  VAL  57          3HG2      VAL  57  -1.351  -5.045  -7.793
  398    H    ILE  58           H        ILE  58  -3.638  -5.019 -11.467
  399    HA   ILE  58           HA       ILE  58  -3.712  -2.149 -11.735
  400    HB   ILE  58           HB       ILE  58  -2.927  -4.465 -13.375
  401   1HG1  ILE  58          1HG1      ILE  58  -2.004  -1.605 -13.556
  402   2HG1  ILE  58          2HG1      ILE  58  -1.570  -2.622 -12.181
  403   1HG2  ILE  58          3HG2      ILE  58  -4.310  -2.108 -14.661
  404   2HG2  ILE  58          2HG2      ILE  58  -2.992  -2.934 -15.491
  405   3HG2  ILE  58          1HG2      ILE  58  -4.453  -3.820 -15.058
  406   1HD1  ILE  58          3HD1      ILE  58  -1.183  -3.878 -14.831
  407   2HD1  ILE  58          2HD1      ILE  58  -0.126  -2.507 -14.498
  408   3HD1  ILE  58          1HD1      ILE  58  -0.134  -3.898 -13.414
  409    H    GLY  59           H        GLY  59  -5.461  -0.983 -11.961
  410   1HA   GLY  59          1HA       GLY  59  -7.530  -0.362 -13.064
  411   2HA   GLY  59          2HA       GLY  59  -7.763  -2.057 -13.512
  412    H    LYS  60           H        LYS  60  -6.883  -2.733 -10.636
  413    HA   LYS  60           HA       LYS  60  -9.572  -2.788  -9.514
  414   1HB   LYS  60          1HB       LYS  60  -6.960  -3.559  -8.166
  415   2HB   LYS  60          2HB       LYS  60  -8.583  -4.080  -7.715
  416   1HG   LYS  60          1HG       LYS  60  -7.126  -4.761 -10.288
  417   2HG   LYS  60          2HG       LYS  60  -7.479  -5.867  -8.960
  418   1HD   LYS  60          1HD       LYS  60  -9.966  -4.798  -9.540
  419   2HD   LYS  60          2HD       LYS  60  -9.224  -4.953 -11.134
  420   1HE   LYS  60          1HE       LYS  60  -9.232  -7.230 -11.056
  421   2HE   LYS  60          2HE       LYS  60  -8.817  -7.270  -9.342
  422   1HZ   LYS  60          2HZ       LYS  60 -11.151  -6.490  -8.925
  423   2HZ   LYS  60          1HZ       LYS  60 -11.481  -6.819 -10.559
  424   3HZ   LYS  60          3HZ       LYS  60 -11.007  -8.074  -9.520
  425    H    ASN  61           H        ASN  61 -10.284  -1.592  -7.745
  426    HA   ASN  61           HA       ASN  61  -8.719   0.844  -7.164
  427   1HB   ASN  61          1HB       ASN  61 -11.545   0.001  -6.946
  428   2HB   ASN  61          2HB       ASN  61 -10.977   1.009  -5.614
  429   1HD2  ASN  61          2HD2      ASN  61 -10.288   2.787  -9.235
  430   2HD2  ASN  61          1HD2      ASN  61  -9.677   1.235  -8.921
  431    H    PHE  62           H        PHE  62  -7.404   0.904  -5.397
  432    HA   PHE  62           HA       PHE  62  -7.037  -1.284  -3.639
  433   1HB   PHE  62          1HB       PHE  62  -5.425   0.586  -3.917
  434   2HB   PHE  62          2HB       PHE  62  -6.509   1.611  -2.970
  435    HD1  PHE  62           HD1      PHE  62  -4.350  -1.371  -2.902
  436    HD2  PHE  62           HD2      PHE  62  -6.799   1.286  -0.590
  437    HE1  PHE  62           HE1      PHE  62  -3.429  -2.346  -0.807
  438    HE2  PHE  62           HE2      PHE  62  -5.881   0.315   1.500
  439    HZ   PHE  62           HZ       PHE  62  -4.213  -1.512   1.391
  440    H    PHE  63           H        PHE  63  -9.586   1.022  -3.629
  441    HA   PHE  63           HA       PHE  63 -10.321   0.126  -0.876
  442   1HB   PHE  63          1HB       PHE  63 -10.899   2.773  -2.239
  443   2HB   PHE  63          2HB       PHE  63 -11.547   2.292  -0.671
  444    HD1  PHE  63           HD2      PHE  63  -9.750   1.445   1.075
  445    HD2  PHE  63           HD1      PHE  63  -8.883   3.942  -2.306
  446    HE1  PHE  63           HE2      PHE  63  -7.670   2.214   2.178
  447    HE2  PHE  63           HE1      PHE  63  -6.801   4.715  -1.202
  448    HZ   PHE  63           HZ       PHE  63  -6.195   3.851   1.042
  449    H    LYS  64           H        LYS  64 -11.013  -1.238  -3.333
  450    HA   LYS  64           HA       LYS  64 -13.943  -1.180  -3.039
  451   1HB   LYS  64          1HB       LYS  64 -12.939   0.423  -4.971
  452   2HB   LYS  64          2HB       LYS  64 -13.044  -1.092  -5.868
  453   1HG   LYS  64          1HG       LYS  64 -15.171  -0.190  -6.210
  454   2HG   LYS  64          2HG       LYS  64 -15.442  -1.236  -4.816
  455   1HD   LYS  64          1HD       LYS  64 -15.242   0.648  -3.295
  456   2HD   LYS  64          2HD       LYS  64 -14.791   1.719  -4.623
  457   1HE   LYS  64          1HE       LYS  64 -17.017   2.213  -4.647
  458   2HE   LYS  64          2HE       LYS  64 -17.138   0.716  -5.573
  459   1HZ   LYS  64          1HZ       LYS  64 -17.340  -0.411  -3.325
  460   2HZ   LYS  64          3HZ       LYS  64 -17.627   1.135  -2.687
  461   3HZ   LYS  64          2HZ       LYS  64 -18.679   0.490  -3.857
  462    H    ASP  65           H        ASP  65 -11.311  -2.532  -5.086
  463    HA   ASP  65           HA       ASP  65 -12.590  -5.204  -4.652
  464   1HB   ASP  65          1HB       ASP  65 -11.248  -4.123  -7.144
  465   2HB   ASP  65          2HB       ASP  65 -11.726  -5.808  -6.930
  466    H    VAL  66           H        VAL  66 -10.023  -3.523  -3.631
  467    HA   VAL  66           HA       VAL  66  -8.139  -5.823  -3.942
  468    HB   VAL  66           HB       VAL  66  -7.552  -2.939  -3.299
  469   1HG1  VAL  66          3HG1      VAL  66  -5.979  -5.061  -2.743
  470   2HG1  VAL  66          2HG1      VAL  66  -5.488  -4.744  -4.405
  471   3HG1  VAL  66          1HG1      VAL  66  -5.339  -3.482  -3.184
  472   1HG2  VAL  66          2HG2      VAL  66  -7.318  -4.493  -5.879
  473   2HG2  VAL  66          1HG2      VAL  66  -8.379  -3.116  -5.570
  474   3HG2  VAL  66          3HG2      VAL  66  -6.631  -2.888  -5.621
  475    H    ALA  67           H        ALA  67  -9.623  -3.508  -1.780
  476    HA   ALA  67           HA       ALA  67  -9.070  -5.309   0.499
  477   1HB   ALA  67          1HB       ALA  67  -8.167  -2.411   0.363
  478   2HB   ALA  67          3HB       ALA  67  -8.055  -3.455   1.776
  479   3HB   ALA  67          2HB       ALA  67  -7.106  -3.820   0.337
  480    HA   PRO  68           HA       PRO  68 -13.206  -3.324   0.666
  481   1HB   PRO  68          1HB       PRO  68 -14.457  -5.542   1.714
  482   2HB   PRO  68          2HB       PRO  68 -14.240  -5.264  -0.022
  483   1HG   PRO  68          1HG       PRO  68 -12.762  -7.132   1.781
  484   2HG   PRO  68          2HG       PRO  68 -13.092  -7.272   0.047
  485   1HD   PRO  68          1HD       PRO  68 -10.640  -6.479   1.161
  486   2HD   PRO  68          2HD       PRO  68 -11.137  -6.207  -0.522
  487    H    CYS  69           H        CYS  69 -11.035  -4.659   2.946
  488    HA   CYS  69           HA       CYS  69 -12.666  -4.012   5.305
  489   1HB   CYS  69          1HB       CYS  69 -10.729  -4.808   6.568
  490   2HB   CYS  69          2HB       CYS  69 -11.080  -5.952   5.272
  491    H    THR  70           H        THR  70 -10.155  -2.595   3.335
  492    HA   THR  70           HA       THR  70  -9.347  -0.569   5.231
  493    HB   THR  70           HB       THR  70  -8.381   0.531   3.140
  494    HG1  THR  70           HG1      THR  70  -9.983  -0.536   1.772
  495   1HG2  THR  70          1HG2      THR  70  -7.464  -1.490   4.681
  496   2HG2  THR  70          3HG2      THR  70  -7.470  -2.286   3.113
  497   3HG2  THR  70          2HG2      THR  70  -6.550  -0.810   3.340
  498    H    ASP  71           H        ASP  71 -12.239  -0.977   3.577
  499    HA   ASP  71           HA       ASP  71 -12.730   1.870   3.048
  500   1HB   ASP  71          1HB       ASP  71 -13.793   0.145   1.632
  501   2HB   ASP  71          2HB       ASP  71 -14.622  -0.505   3.047
  502    H    SER  72           H        SER  72 -12.174   2.426   5.360
  503    HA   SER  72           HA       SER  72 -14.616   2.686   6.928
  504   1HB   SER  72          1HB       SER  72 -12.494   1.479   8.576
  505   2HB   SER  72          2HB       SER  72 -14.229   1.181   8.587
  506    HG   SER  72           HG       SER  72 -13.427  -0.647   7.752
  507    HA   PRO  73           HA       PRO  73 -12.409   6.155   8.515
  508   1HB   PRO  73          1HB       PRO  73 -13.223   6.266  11.137
  509   2HB   PRO  73          2HB       PRO  73 -14.261   6.705   9.770
  510   1HG   PRO  73          1HG       PRO  73 -14.333   4.257  11.470
  511   2HG   PRO  73          2HG       PRO  73 -15.644   5.037  10.570
  512   1HD   PRO  73          1HD       PRO  73 -14.233   2.722   9.767
  513   2HD   PRO  73          2HD       PRO  73 -15.299   3.702   8.738
  514    H    GLU  74           H        GLU  74 -10.346   4.857   8.305
  515    HA   GLU  74           HA       GLU  74  -8.611   5.179  10.496
  516   1HB   GLU  74          1HB       GLU  74 -10.289   2.938  10.850
  517   2HB   GLU  74          2HB       GLU  74  -8.719   2.294  10.368
  518   1HG   GLU  74          1HG       GLU  74  -7.699   3.853  12.118
  519   2HG   GLU  74          2HG       GLU  74  -9.342   4.097  12.713
  520    H    PHE  75           H        PHE  75  -9.492   3.183   7.744
  521    HA   PHE  75           HA       PHE  75  -6.636   3.150   6.868
  522   1HB   PHE  75          1HB       PHE  75  -8.193   1.001   7.044
  523   2HB   PHE  75          2HB       PHE  75  -8.798   1.584   5.492
  524    HD1  PHE  75           HD1      PHE  75  -6.809   2.477   3.885
  525    HD2  PHE  75           HD2      PHE  75  -6.414  -0.506   6.947
  526    HE1  PHE  75           HE1      PHE  75  -4.799   1.582   2.750
  527    HE2  PHE  75           HE2      PHE  75  -4.394  -1.399   5.816
  528    HZ   PHE  75           HZ       PHE  75  -3.586  -0.354   3.717
  529    H    TYR  76           H        TYR  76  -9.885   3.266   5.332
  530    HA   TYR  76           HA       TYR  76  -8.829   5.018   3.236
  531   1HB   TYR  76          1HB       TYR  76 -10.747   3.331   2.920
  532   2HB   TYR  76          2HB       TYR  76 -11.757   4.490   3.788
  533    HD1  TYR  76           HD2      TYR  76  -8.985   4.960   1.300
  534    HD2  TYR  76           HD1      TYR  76 -13.133   5.587   2.235
  535    HE1  TYR  76           HE2      TYR  76  -9.247   6.300  -0.775
  536    HE2  TYR  76           HE1      TYR  76 -13.396   6.922   0.162
  537    HH   TYR  76           HH       TYR  76 -12.219   7.066  -2.091
  538    H    GLY  77           H        GLY  77 -10.144   5.358   6.397
  539   1HA   GLY  77          1HA       GLY  77 -11.326   7.952   6.201
  540   2HA   GLY  77          2HA       GLY  77 -10.650   7.255   7.663
  541    H    LYS  78           H        LYS  78  -8.093   7.030   7.387
  542    HA   LYS  78           HA       LYS  78  -7.091   9.710   7.393
  543   1HB   LYS  78          1HB       LYS  78  -5.332   7.301   6.953
  544   2HB   LYS  78          2HB       LYS  78  -4.975   8.776   7.848
  545   1HG   LYS  78          1HG       LYS  78  -6.678   6.438   8.665
  546   2HG   LYS  78          2HG       LYS  78  -5.405   7.244   9.574
  547   1HD   LYS  78          1HD       LYS  78  -7.177   9.297   9.274
  548   2HD   LYS  78          2HD       LYS  78  -8.286   7.926   9.323
  549   1HE   LYS  78          1HE       LYS  78  -7.188   7.149  11.424
  550   2HE   LYS  78          2HE       LYS  78  -6.157   8.578  11.391
  551   1HZ   LYS  78          2HZ       LYS  78  -9.118   8.719  11.381
  552   2HZ   LYS  78          1HZ       LYS  78  -8.192   8.755  12.806
  553   3HZ   LYS  78          3HZ       LYS  78  -8.016   9.984  11.651
  554    H    PHE  79           H        PHE  79  -7.649   7.502   4.821
  555    HA   PHE  79           HA       PHE  79  -5.781   8.695   2.971
  556   1HB   PHE  79          1HB       PHE  79  -6.566   6.408   2.652
  557   2HB   PHE  79          2HB       PHE  79  -8.229   6.977   2.575
  558    HD1  PHE  79           HD1      PHE  79  -8.836   8.649   0.694
  559    HD2  PHE  79           HD2      PHE  79  -5.253   6.266   0.671
  560    HE1  PHE  79           HE1      PHE  79  -8.633   8.955  -1.764
  561    HE2  PHE  79           HE2      PHE  79  -5.091   6.548  -1.766
  562    HZ   PHE  79           HZ       PHE  79  -6.750   7.902  -2.978
  563    H    LYS  80           H        LYS  80  -9.226   9.071   3.691
  564    HA   LYS  80           HA       LYS  80  -9.598  11.044   1.629
  565   1HB   LYS  80          1HB       LYS  80 -11.255   9.693   3.646
  566   2HB   LYS  80          2HB       LYS  80 -11.705  11.374   3.359
  567   1HG   LYS  80          1HG       LYS  80 -11.230   9.467   1.067
  568   2HG   LYS  80          2HG       LYS  80 -12.805   9.581   1.854
  569   1HD   LYS  80          1HD       LYS  80 -11.955  12.242   1.394
  570   2HD   LYS  80          2HD       LYS  80 -11.637  11.353  -0.097
  571   1HE   LYS  80          1HE       LYS  80 -14.264  10.979   1.310
  572   2HE   LYS  80          2HE       LYS  80 -14.015  12.407   0.304
  573   1HZ   LYS  80          1HZ       LYS  80 -13.312   9.752  -0.744
  574   2HZ   LYS  80          3HZ       LYS  80 -14.937  10.240  -0.741
  575   3HZ   LYS  80          2HZ       LYS  80 -13.778  11.152  -1.585
  576    H    GLU  81           H        GLU  81  -8.098  11.040   4.611
  577    HA   GLU  81           HA       GLU  81  -8.825  13.858   5.237
  578   1HB   GLU  81          1HB       GLU  81  -6.926  12.038   6.746
  579   2HB   GLU  81          2HB       GLU  81  -7.685  13.518   7.332
  580   1HG   GLU  81          1HG       GLU  81  -9.684  11.649   6.370
  581   2HG   GLU  81          2HG       GLU  81  -8.675  10.906   7.611
  582    H    GLY  82           H        GLY  82  -6.121  11.817   4.319
  583   1HA   GLY  82          1HA       GLY  82  -4.145  13.935   4.240
  584   2HA   GLY  82          2HA       GLY  82  -3.987  12.351   3.471
  585    H    VAL  83           H        VAL  83  -6.195  12.310   1.844
  586    HA   VAL  83           HA       VAL  83  -5.356  13.745  -0.465
  587    HB   VAL  83           HB       VAL  83  -8.142  12.727   0.179
  588   1HG1  VAL  83          2HG1      VAL  83  -6.959  14.032  -2.129
  589   2HG1  VAL  83          1HG1      VAL  83  -7.540  12.418  -2.544
  590   3HG1  VAL  83          3HG1      VAL  83  -8.643  13.598  -1.836
  591   1HG2  VAL  83          3HG2      VAL  83  -5.831  11.235   0.119
  592   2HG2  VAL  83          2HG2      VAL  83  -7.439  10.611  -0.248
  593   3HG2  VAL  83          1HG2      VAL  83  -6.379  11.126  -1.552
  594    H    ALA  84           H        ALA  84  -7.753  14.536   2.031
  595    HA   ALA  84           HA       ALA  84  -8.423  17.062   0.638
  596   1HB   ALA  84          2HB       ALA  84 -10.130  15.507   1.780
  597   2HB   ALA  84          1HB       ALA  84  -9.511  16.151   3.299
  598   3HB   ALA  84          3HB       ALA  84 -10.258  17.232   2.122
  599    H    SER  85           H        SER  85  -6.077  16.088   2.840
  600    HA   SER  85           HA       SER  85  -6.104  18.712   4.249
  601   1HB   SER  85          1HB       SER  85  -4.788  16.066   4.812
  602   2HB   SER  85          2HB       SER  85  -4.164  17.540   5.545
  603    HG   SER  85           HG       SER  85  -6.064  16.149   6.494
  604    H    GLY  86           H        GLY  86  -4.498  17.028   1.709
  605   1HA   GLY  86          1HA       GLY  86  -2.877  17.908   0.223
  606   2HA   GLY  86          2HA       GLY  86  -2.760  19.339   1.252
  607    H    ASN  87           H        ASN  87  -2.500  16.325   2.888
  608    HA   ASN  87           HA       ASN  87   0.382  16.020   2.605
  609   1HB   ASN  87          1HB       ASN  87  -0.255  18.033   4.286
  610   2HB   ASN  87          2HB       ASN  87  -0.386  16.678   5.408
  611   1HD2  ASN  87          2HD2      ASN  87   3.286  17.118   3.594
  612   2HD2  ASN  87          1HD2      ASN  87   1.879  17.330   2.667
  613    H    LEU  88           H        LEU  88  -0.399  13.859   2.142
  614    HA   LEU  88           HA       LEU  88  -1.899  12.418   4.195
  615   1HB   LEU  88          1HB       LEU  88  -1.840  12.074   1.571
  616   2HB   LEU  88          2HB       LEU  88  -0.491  11.007   1.967
  617    HG   LEU  88           HG       LEU  88  -2.700  10.595   3.801
  618   1HD1  LEU  88          1HD1      LEU  88  -3.571  11.259   1.239
  619   2HD1  LEU  88          3HD1      LEU  88  -3.537   9.496   1.224
  620   3HD1  LEU  88          2HD1      LEU  88  -4.487  10.350   2.440
  621   1HD2  LEU  88          1HD2      LEU  88  -0.747   9.076   3.296
  622   2HD2  LEU  88          3HD2      LEU  88  -2.317   8.280   3.194
  623   3HD2  LEU  88          2HD2      LEU  88  -1.474   8.756   1.720
  624    H    ASN  89           H        ASN  89  -0.960  11.592   5.960
  625    HA   ASN  89           HA       ASN  89   1.533  10.083   5.782
  626   1HB   ASN  89          1HB       ASN  89   2.623  11.490   7.605
  627   2HB   ASN  89          2HB       ASN  89   2.552  12.251   6.014
  628   1HD2  ASN  89          2HD2      ASN  89   0.235  14.763   7.018
  629   2HD2  ASN  89          1HD2      ASN  89   0.942  13.975   5.691
  630    H    THR  90           H        THR  90   0.130   8.404   6.599
  631    HA   THR  90           HA       THR  90  -0.415   8.717   9.515
  632    HB   THR  90           HB       THR  90  -2.558   9.138   8.544
  633    HG1  THR  90           HG1      THR  90  -3.451   7.729   9.793
  634   1HG2  THR  90          1HG2      THR  90  -1.562   7.369   6.494
  635   2HG2  THR  90          3HG2      THR  90  -3.153   6.834   7.033
  636   3HG2  THR  90          2HG2      THR  90  -2.933   8.477   6.431
  637    H    MET  91           H        MET  91  -1.030   6.510  10.472
  638    HA   MET  91           HA       MET  91   0.006   4.144   9.086
  639   1HB   MET  91          1HB       MET  91   2.093   5.202   9.895
  640   2HB   MET  91          2HB       MET  91   1.427   5.283  11.523
  641   1HG   MET  91          2HG       MET  91   1.109   2.611  10.835
  642   2HG   MET  91          1HG       MET  91   2.668   3.031  10.129
  643   1HE   MET  91          2HE       MET  91   4.357   2.197  11.132
  644   2HE   MET  91          1HE       MET  91   4.864   3.798  11.661
  645   3HE   MET  91          3HE       MET  91   4.940   2.427  12.778
  646    H    PHE  92           H        PHE  92  -0.686   2.209  10.171
  647    HA   PHE  92           HA       PHE  92  -1.854   2.329  12.830
  648   1HB   PHE  92          1HB       PHE  92  -4.208   1.867  12.063
  649   2HB   PHE  92          2HB       PHE  92  -3.644   3.506  11.736
  650    HD1  PHE  92           HD1      PHE  92  -3.867   0.114  10.142
  651    HD2  PHE  92           HD2      PHE  92  -3.719   4.362   9.562
  652    HE1  PHE  92           HE1      PHE  92  -4.330  -0.203   7.732
  653    HE2  PHE  92           HE2      PHE  92  -4.192   4.044   7.149
  654    HZ   PHE  92           HZ       PHE  92  -4.471   1.758   6.233
  655    H    GLU  93           H        GLU  93  -2.577   0.246  13.560
  656    HA   GLU  93           HA       GLU  93  -1.407  -1.980  12.022
  657   1HB   GLU  93          1HB       GLU  93  -2.760  -1.859  14.738
  658   2HB   GLU  93          2HB       GLU  93  -2.086  -3.330  14.035
  659   1HG   GLU  93          1HG       GLU  93  -0.356  -0.888  14.185
  660   2HG   GLU  93          2HG       GLU  93  -0.624  -1.827  15.655
  661    H    TYR  94           H        TYR  94  -2.657  -2.917  10.471
  662    HA   TYR  94           HA       TYR  94  -5.610  -3.005  10.945
  663   1HB   TYR  94          1HB       TYR  94  -4.292  -1.826   8.849
  664   2HB   TYR  94          2HB       TYR  94  -4.642  -3.426   8.192
  665    HD1  TYR  94           HD1      TYR  94  -6.443  -1.015  10.448
  666    HD2  TYR  94           HD2      TYR  94  -6.592  -3.485   6.940
  667    HE1  TYR  94           HE1      TYR  94  -8.804  -0.353  10.083
  668    HE2  TYR  94           HE2      TYR  94  -8.949  -2.821   6.569
  669    HH   TYR  94           HH       TYR  94 -10.353  -0.350   7.617
  670    H    THR  95           H        THR  95  -6.489  -4.850   9.301
  671    HA   THR  95           HA       THR  95  -4.800  -7.268   9.394
  672    HB   THR  95           HB       THR  95  -7.503  -7.185  10.773
  673    HG1  THR  95           HG1      THR  95  -6.185  -6.223  12.173
  674   1HG2  THR  95          1HG2      THR  95  -6.312  -9.315   9.604
  675   2HG2  THR  95          3HG2      THR  95  -5.551  -9.379  11.194
  676   3HG2  THR  95          2HG2      THR  95  -7.308  -9.445  11.054
  677    H    PHE  96           H        PHE  96  -5.012  -7.882   7.288
  678    HA   PHE  96           HA       PHE  96  -7.513  -7.362   5.828
  679   1HB   PHE  96          1HB       PHE  96  -5.016  -8.843   4.945
  680   2HB   PHE  96          2HB       PHE  96  -6.325  -8.307   3.896
  681    HD1  PHE  96           HD2      PHE  96  -6.716  -5.618   5.555
  682    HD2  PHE  96           HD1      PHE  96  -3.342  -7.542   3.716
  683    HE1  PHE  96           HE2      PHE  96  -5.604  -3.421   5.290
  684    HE2  PHE  96           HE1      PHE  96  -2.237  -5.340   3.453
  685    HZ   PHE  96           HZ       PHE  96  -3.366  -3.281   4.240
  686    H    ASP  97           H        ASP  97  -9.196  -8.730   6.220
  687    HA   ASP  97           HA       ASP  97  -8.609 -11.658   6.191
  688   1HB   ASP  97          1HB       ASP  97 -10.650 -10.357   8.021
  689   2HB   ASP  97          2HB       ASP  97 -10.133 -12.043   8.020
  690    H    TYR  98           H        TYR  98  -9.483 -10.153   3.973
  691    HA   TYR  98           HA       TYR  98 -12.392 -10.400   3.757
  692   1HB   TYR  98          1HB       TYR  98 -12.079  -9.722   1.429
  693   2HB   TYR  98          2HB       TYR  98 -11.030  -8.717   2.427
  694    HD1  TYR  98           HD1      TYR  98 -11.080 -11.773   0.292
  695    HD2  TYR  98           HD2      TYR  98  -8.668  -8.717   2.102
  696    HE1  TYR  98           HE1      TYR  98  -9.113 -12.607  -0.943
  697    HE2  TYR  98           HE2      TYR  98  -6.681  -9.552   0.847
  698    HH   TYR  98           HH       TYR  98  -6.906 -11.631  -1.760
  699    H    GLN  99           H        GLN  99 -13.477 -12.195   2.937
  700    HA   GLN  99           HA       GLN  99 -13.397 -14.692   3.021
  701   1HB   GLN  99          1HB       GLN  99 -12.946 -14.421   0.125
  702   2HB   GLN  99          2HB       GLN  99 -14.349 -15.030   0.994
  703   1HG   GLN  99          1HG       GLN  99 -14.836 -12.560   1.568
  704   2HG   GLN  99          2HG       GLN  99 -13.665 -12.172   0.306
  705   1HE2  GLN  99          2HE2      GLN  99 -15.883 -12.926  -2.333
  706   2HE2  GLN  99          1HE2      GLN  99 -14.349 -12.360  -1.874
  707    H    MET 100           H        MET 100 -11.035 -14.688   3.985
  708    HA   MET 100           HA       MET 100  -9.483 -16.599   2.485
  709   1HB   MET 100          1HB       MET 100  -9.129 -14.074   1.497
  710   2HB   MET 100          2HB       MET 100  -7.896 -14.104   2.763
  711   1HG   MET 100          2HG       MET 100  -7.812 -16.610   1.378
  712   2HG   MET 100          1HG       MET 100  -7.792 -15.319   0.178
  713   1HE   MET 100          2HE       MET 100  -6.746 -13.071   1.051
  714   2HE   MET 100          1HE       MET 100  -5.040 -12.983   1.472
  715   3HE   MET 100          3HE       MET 100  -5.533 -13.589  -0.115
  716    H    THR 101           H        THR 101  -7.067 -16.496   3.547
  717    HA   THR 101           HA       THR 101  -7.425 -17.068   6.338
  718    HB   THR 101           HB       THR 101  -5.594 -18.132   5.219
  719    HG1  THR 101           HG1      THR 101  -4.426 -17.842   6.914
  720   1HG2  THR 101          1HG2      THR 101  -5.207 -15.425   4.123
  721   2HG2  THR 101          3HG2      THR 101  -3.713 -16.276   4.514
  722   3HG2  THR 101          2HG2      THR 101  -4.871 -16.995   3.394
  723    HA   PRO 102           HA       PRO 102  -7.111 -13.007   8.013
  724   1HB   PRO 102          1HB       PRO 102  -6.140 -13.616  10.518
  725   2HB   PRO 102          2HB       PRO 102  -7.827 -13.845  10.028
  726   1HG   PRO 102          1HG       PRO 102  -5.677 -15.887  10.378
  727   2HG   PRO 102          2HG       PRO 102  -7.430 -16.062  10.559
  728   1HD   PRO 102          1HD       PRO 102  -5.939 -16.914   8.338
  729   2HD   PRO 102          2HD       PRO 102  -7.698 -16.684   8.365
  730    H    THR 103           H        THR 103  -5.580 -11.451   7.756
  731    HA   THR 103           HA       THR 103  -2.707 -12.206   8.088
  732    HB   THR 103           HB       THR 103  -4.065 -10.544   5.954
  733    HG1  THR 103           HG1      THR 103  -3.709 -12.760   5.595
  734   1HG2  THR 103          1HG2      THR 103  -1.306 -10.259   7.048
  735   2HG2  THR 103          3HG2      THR 103  -1.470 -10.250   5.291
  736   3HG2  THR 103          2HG2      THR 103  -2.334  -9.060   6.264
  737    H    LYS 104           H        LYS 104  -1.429 -10.716   9.156
  738    HA   LYS 104           HA       LYS 104  -2.829  -8.293  10.216
  739   1HB   LYS 104          1HB       LYS 104  -2.004 -10.287  11.806
  740   2HB   LYS 104          2HB       LYS 104  -0.454  -9.465  11.626
  741   1HG   LYS 104          1HG       LYS 104  -1.086  -7.855  13.059
  742   2HG   LYS 104          2HG       LYS 104  -2.529  -7.520  12.102
  743   1HD   LYS 104          1HD       LYS 104  -3.288  -9.839  13.273
  744   2HD   LYS 104          2HD       LYS 104  -2.216  -9.207  14.524
  745   1HE   LYS 104          1HE       LYS 104  -3.584  -6.955  13.949
  746   2HE   LYS 104          2HE       LYS 104  -4.819  -8.149  13.548
  747   1HZ   LYS 104          2HZ       LYS 104  -4.368  -9.171  15.757
  748   2HZ   LYS 104          1HZ       LYS 104  -3.392  -7.832  16.128
  749   3HZ   LYS 104          3HZ       LYS 104  -5.048  -7.616  15.832
  750    H    VAL 105           H        VAL 105  -1.674  -6.342   9.949
  751    HA   VAL 105           HA       VAL 105   1.156  -6.473   9.095
  752    HB   VAL 105           HB       VAL 105   0.787  -5.333   6.978
  753   1HG1  VAL 105          3HG1      VAL 105   0.475  -7.856   7.084
  754   2HG1  VAL 105          2HG1      VAL 105  -1.260  -7.569   7.141
  755   3HG1  VAL 105          1HG1      VAL 105  -0.330  -7.075   5.727
  756   1HG2  VAL 105          3HG2      VAL 105  -1.922  -4.933   8.105
  757   2HG2  VAL 105          2HG2      VAL 105  -1.010  -3.927   6.980
  758   3HG2  VAL 105          1HG2      VAL 105  -1.888  -5.337   6.389
  759    H    LYS 106           H        LYS 106   2.220  -4.495   9.448
  760    HA   LYS 106           HA       LYS 106   0.597  -2.401  10.806
  761   1HB   LYS 106          1HB       LYS 106   2.828  -1.382  11.388
  762   2HB   LYS 106          2HB       LYS 106   2.605  -2.992  12.061
  763   1HG   LYS 106          1HG       LYS 106   3.858  -2.931   9.383
  764   2HG   LYS 106          2HG       LYS 106   4.819  -2.212  10.669
  765   1HD   LYS 106          1HD       LYS 106   3.959  -4.454  11.926
  766   2HD   LYS 106          2HD       LYS 106   4.016  -5.038  10.263
  767   1HE   LYS 106          1HE       LYS 106   6.191  -5.448  11.129
  768   2HE   LYS 106          2HE       LYS 106   6.357  -3.997  10.143
  769   1HZ   LYS 106          2HZ       LYS 106   5.866  -2.771  12.324
  770   2HZ   LYS 106          1HZ       LYS 106   6.280  -4.237  13.080
  771   3HZ   LYS 106          3HZ       LYS 106   7.414  -3.438  12.105
  772    H    VAL 107           H        VAL 107  -0.158  -0.882   9.416
  773    HA   VAL 107           HA       VAL 107   1.067  -0.673   6.750
  774    HB   VAL 107           HB       VAL 107  -1.002   0.050   6.031
  775   1HG1  VAL 107          3HG1      VAL 107  -1.331  -1.804   7.865
  776   2HG1  VAL 107          2HG1      VAL 107  -2.227  -0.512   8.657
  777   3HG1  VAL 107          1HG1      VAL 107  -2.698  -1.048   7.048
  778   1HG2  VAL 107          1HG2      VAL 107  -0.597   2.259   7.546
  779   2HG2  VAL 107          3HG2      VAL 107  -2.089   1.919   6.710
  780   3HG2  VAL 107          2HG2      VAL 107  -1.926   1.535   8.418
  781    H    HIS 108           H        HIS 108   1.353   1.413   5.762
  782    HA   HIS 108           HA       HIS 108   1.786   3.791   7.388
  783   1HB   HIS 108          1HB       HIS 108   3.902   2.607   7.874
  784   2HB   HIS 108          2HB       HIS 108   4.196   2.419   6.144
  785    HD1  HIS 108           HD1      HIS 108   6.412   3.890   6.731
  786    HD2  HIS 108           HD2      HIS 108   2.762   5.895   6.944
  787    HE1  HIS 108           HE1      HIS 108   6.949   6.365   6.674
  788    H    MET 109           H        MET 109   0.560   4.970   5.914
  789    HA   MET 109           HA       MET 109   1.324   4.769   3.015
  790   1HB   MET 109          1HB       MET 109  -1.230   6.099   3.725
  791   2HB   MET 109          2HB       MET 109  -0.896   4.935   2.456
  792   1HG   MET 109          2HG       MET 109  -2.188   3.587   3.797
  793   2HG   MET 109          1HG       MET 109  -0.639   3.304   4.593
  794   1HE   MET 109          2HE       MET 109  -4.064   4.544   4.605
  795   2HE   MET 109          1HE       MET 109  -4.278   5.618   5.984
  796   3HE   MET 109          3HE       MET 109  -3.435   6.188   4.538
  797    H    LYS 110           H        LYS 110   1.520   6.796   1.779
  798    HA   LYS 110           HA       LYS 110   1.282   9.303   3.369
  799   1HB   LYS 110          1HB       LYS 110   3.731   8.116   3.300
  800   2HB   LYS 110          2HB       LYS 110   3.817   9.107   1.845
  801   1HG   LYS 110          1HG       LYS 110   3.226  11.096   3.140
  802   2HG   LYS 110          2HG       LYS 110   3.049  10.119   4.594
  803   1HD   LYS 110          1HD       LYS 110   5.296   9.978   4.925
  804   2HD   LYS 110          2HD       LYS 110   5.635   9.808   3.203
  805   1HE   LYS 110          1HE       LYS 110   4.810  12.354   3.182
  806   2HE   LYS 110          2HE       LYS 110   5.382  12.284   4.849
  807   1HZ   LYS 110          3HZ       LYS 110   7.056  11.235   2.667
  808   2HZ   LYS 110          2HZ       LYS 110   7.021  12.905   2.980
  809   3HZ   LYS 110          1HZ       LYS 110   7.525  11.821   4.188
  810    H    LYS 111           H        LYS 111   1.927  11.218   1.741
  811    HA   LYS 111           HA       LYS 111   0.314  10.721  -0.665
  812   1HB   LYS 111          1HB       LYS 111  -0.038  12.811   0.549
  813   2HB   LYS 111          2HB       LYS 111   1.665  13.236   0.365
  814   1HG   LYS 111          1HG       LYS 111   1.320  14.042  -1.715
  815   2HG   LYS 111          2HG       LYS 111   0.447  12.589  -2.200
  816   1HD   LYS 111          1HD       LYS 111  -1.332  14.016  -2.307
  817   2HD   LYS 111          2HD       LYS 111  -1.396  13.736  -0.567
  818   1HE   LYS 111          1HE       LYS 111  -0.365  15.776  -0.067
  819   2HE   LYS 111          2HE       LYS 111   0.374  15.905  -1.664
  820   1HZ   LYS 111          2HZ       LYS 111  -2.548  16.053  -1.172
  821   2HZ   LYS 111          1HZ       LYS 111  -1.540  17.414  -1.306
  822   3HZ   LYS 111          3HZ       LYS 111  -1.735  16.372  -2.630
  823    H    ALA 112           H        ALA 112   1.386   9.696  -2.286
  824    HA   ALA 112           HA       ALA 112   4.178   9.681  -2.730
  825   1HB   ALA 112          3HB       ALA 112   2.000   8.465  -3.879
  826   2HB   ALA 112          2HB       ALA 112   2.544   9.537  -5.168
  827   3HB   ALA 112          1HB       ALA 112   3.652   8.351  -4.487
  828    H    LEU 113           H        LEU 113   5.479  10.882  -4.272
  829    HA   LEU 113           HA       LEU 113   4.542  13.661  -4.610
  830   1HB   LEU 113          1HB       LEU 113   6.994  12.610  -3.991
  831   2HB   LEU 113          2HB       LEU 113   7.174  12.924  -5.718
  832    HG   LEU 113           HG       LEU 113   5.905  15.206  -4.865
  833   1HD1  LEU 113          1HD1      LEU 113   7.259  13.955  -2.575
  834   2HD1  LEU 113          3HD1      LEU 113   7.770  15.615  -2.878
  835   3HD1  LEU 113          2HD1      LEU 113   6.066  15.254  -2.604
  836   1HD2  LEU 113          2HD2      LEU 113   8.190  14.594  -6.165
  837   2HD2  LEU 113          1HD2      LEU 113   7.827  16.226  -5.605
  838   3HD2  LEU 113          3HD2      LEU 113   8.875  15.177  -4.649
  839    H    SER 114           H        SER 114   4.047  10.960  -6.389
  840    HA   SER 114           HA       SER 114   4.897  11.674  -9.011
  841   1HB   SER 114          1HB       SER 114   4.003   9.422  -8.297
  842   2HB   SER 114          2HB       SER 114   2.391  10.132  -8.297
  843    HG   SER 114           HG       SER 114   2.650  10.592 -10.489
  844    H    GLY 115           H        GLY 115   1.863  12.342  -7.263
  845   1HA   GLY 115          1HA       GLY 115   1.351  14.885  -8.156
  846   2HA   GLY 115          2HA       GLY 115   0.786  13.892  -9.501
  847    H    ASP 116           H        ASP 116   0.206  14.789  -6.167
  848    HA   ASP 116           HA       ASP 116  -1.645  14.426  -4.768
  849   1HB   ASP 116          1HB       ASP 116  -3.024  14.229  -7.464
  850   2HB   ASP 116          2HB       ASP 116  -3.835  14.480  -5.918
  851    H    SER 117           H        SER 117  -0.076  12.086  -5.431
  852    HA   SER 117           HA       SER 117  -2.100   9.953  -5.796
  853   1HB   SER 117          1HB       SER 117  -0.244   9.356  -7.046
  854   2HB   SER 117          2HB       SER 117   0.883  10.099  -5.919
  855    HG   SER 117           HG       SER 117   1.082   7.952  -5.573
  856    H    TYR 118           H        TYR 118  -1.672   7.973  -4.269
  857    HA   TYR 118           HA       TYR 118  -1.002   8.806  -1.494
  858   1HB   TYR 118          1HB       TYR 118  -3.616   7.412  -2.078
  859   2HB   TYR 118          2HB       TYR 118  -3.160   8.255  -0.604
  860    HD1  TYR 118           HD2      TYR 118  -2.878  10.786  -0.701
  861    HD2  TYR 118           HD1      TYR 118  -4.647   8.482  -3.858
  862    HE1  TYR 118           HE2      TYR 118  -3.897  12.838  -1.631
  863    HE2  TYR 118           HE1      TYR 118  -5.662  10.522  -4.788
  864    HH   TYR 118           HH       TYR 118  -5.575  12.819  -4.731
  865    H    TRP 119           H        TRP 119   0.585   7.213  -1.144
  866    HA   TRP 119           HA       TRP 119  -0.113   4.493  -2.020
  867   1HB   TRP 119          1HB       TRP 119   2.297   3.955  -1.746
  868   2HB   TRP 119          2HB       TRP 119   1.923   5.108  -3.011
  869    HD1  TRP 119           HD1      TRP 119   3.310   7.222  -2.976
  870    HE1  TRP 119           HE1      TRP 119   4.925   8.348  -1.322
  871    HE3  TRP 119           HE3      TRP 119   2.539   4.262   0.945
  872    HZ2  TRP 119           HZ2      TRP 119   5.798   7.965   1.393
  873    HZ3  TRP 119           HZ3      TRP 119   3.769   4.598   3.093
  874    HH2  TRP 119           HH2      TRP 119   5.396   6.444   3.309
  875    H    VAL 120           H        VAL 120  -0.237   2.769  -0.791
  876    HA   VAL 120           HA       VAL 120  -0.058   3.213   2.153
  877    HB   VAL 120           HB       VAL 120  -1.818   1.215   0.675
  878   1HG1  VAL 120          1HG1      VAL 120  -1.112   1.697   3.468
  879   2HG1  VAL 120          3HG1      VAL 120  -2.852   1.773   3.199
  880   3HG1  VAL 120          2HG1      VAL 120  -1.952   0.327   2.745
  881   1HG2  VAL 120          3HG2      VAL 120  -2.174   4.076   1.302
  882   2HG2  VAL 120          2HG2      VAL 120  -3.042   3.060   0.154
  883   3HG2  VAL 120          1HG2      VAL 120  -3.492   3.047   1.859
  884    H    PHE 121           H        PHE 121   1.798   2.233   2.820
  885    HA   PHE 121           HA       PHE 121   2.743  -0.186   1.436
  886   1HB   PHE 121          1HB       PHE 121   4.038   1.347   3.710
  887   2HB   PHE 121          2HB       PHE 121   4.783   0.053   2.779
  888    HD1  PHE 121           HD1      PHE 121   3.129   1.337   0.206
  889    HD2  PHE 121           HD2      PHE 121   6.118   2.653   2.998
  890    HE1  PHE 121           HE1      PHE 121   3.936   3.006  -1.439
  891    HE2  PHE 121           HE2      PHE 121   6.886   4.353   1.368
  892    HZ   PHE 121           HZ       PHE 121   5.801   4.516  -0.852
  893    H    VAL 122           H        VAL 122   2.056  -2.147   2.198
  894    HA   VAL 122           HA       VAL 122   1.211  -2.262   5.029
  895    HB   VAL 122           HB       VAL 122   0.302  -3.544   2.541
  896   1HG1  VAL 122          2HG1      VAL 122   1.411  -5.527   3.604
  897   2HG1  VAL 122          1HG1      VAL 122   0.426  -5.268   5.043
  898   3HG1  VAL 122          3HG1      VAL 122  -0.341  -5.694   3.513
  899   1HG2  VAL 122          3HG2      VAL 122  -0.719  -2.242   4.828
  900   2HG2  VAL 122          2HG2      VAL 122  -1.624  -2.837   3.437
  901   3HG2  VAL 122          1HG2      VAL 122  -1.394  -3.871   4.846
  902    H    LYS 123           H        LYS 123   2.520  -3.150   6.447
  903    HA   LYS 123           HA       LYS 123   4.798  -4.801   5.494
  904   1HB   LYS 123          1HB       LYS 123   4.546  -2.759   7.430
  905   2HB   LYS 123          2HB       LYS 123   4.796  -4.258   8.333
  906   1HG   LYS 123          1HG       LYS 123   7.000  -3.857   7.915
  907   2HG   LYS 123          2HG       LYS 123   6.631  -4.556   6.338
  908   1HD   LYS 123          1HD       LYS 123   6.163  -2.320   5.438
  909   2HD   LYS 123          2HD       LYS 123   6.453  -1.616   7.020
  910   1HE   LYS 123          1HE       LYS 123   8.390  -1.553   5.283
  911   2HE   LYS 123          2HE       LYS 123   8.747  -2.019   6.928
  912   1HZ   LYS 123          3HZ       LYS 123   8.009  -4.150   5.086
  913   2HZ   LYS 123          2HZ       LYS 123   9.540  -3.450   4.891
  914   3HZ   LYS 123          1HZ       LYS 123   9.113  -4.164   6.371
  915    H    ARG 124           H        ARG 124   4.624  -7.006   5.708
  916    HA   ARG 124           HA       ARG 124   2.345  -8.082   7.175
  917   1HB   ARG 124          1HB       ARG 124   3.143  -9.248   5.166
  918   2HB   ARG 124          2HB       ARG 124   4.723  -9.497   5.913
  919   1HG   ARG 124          1HG       ARG 124   3.788 -10.934   7.602
  920   2HG   ARG 124          2HG       ARG 124   2.143 -10.523   7.119
  921   1HD   ARG 124          1HD       ARG 124   2.144 -12.101   5.511
  922   2HD   ARG 124          2HD       ARG 124   3.672 -11.513   4.858
  923    HE   ARG 124           HE       ARG 124   4.736 -12.888   6.773
  924   1HH1  ARG 124          1HH2      ARG 124   1.475 -13.531   6.704
  925   2HH1  ARG 124          2HH2      ARG 124   1.621 -15.238   6.452
  926   1HH2  ARG 124          2HH1      ARG 124   5.036 -15.126   5.853
  927   2HH2  ARG 124          1HH1      ARG 124   3.637 -16.142   5.970
  928    H    VAL 125           H        VAL 125   2.307  -8.316   9.306
  929    HA   VAL 125           HA       VAL 125   4.777  -8.171  10.874
  930    HB   VAL 125           HB       VAL 125   2.239  -8.887  12.251
  931   1HG1  VAL 125          1HG1      VAL 125   4.360  -6.756  12.588
  932   2HG1  VAL 125          3HG1      VAL 125   3.026  -7.031  13.706
  933   3HG1  VAL 125          2HG1      VAL 125   4.254  -8.277  13.474
  934   1HG2  VAL 125          1HG2      VAL 125   2.510  -6.497  10.475
  935   2HG2  VAL 125          3HG2      VAL 125   1.069  -7.406  10.919
  936   3HG2  VAL 125          2HG2      VAL 125   1.769  -6.259  12.058
  937    H2   HC4  69           H2       HC4  69  -6.792  -4.896   3.027
  938    H3   HC4  69           H3       HC4  69  -8.017  -7.153   1.378
  939    H2'  HC4  69           H2'      HC4  69  -6.494  -8.025  -0.320
  940    H3'  HC4  69           H3'      HC4  69  -4.293  -8.057  -1.490
  941    H5'  HC4  69           H5'      HC4  69  -2.946  -4.799   0.996
  942    H6'  HC4  69           H6'      HC4  69  -5.151  -4.794   2.127
   
  No H/Q in entry =         942
  Start of MODEL    4
    1   1H    MET   1           H2       MET   1  17.568   4.147  10.068
    2   2H    MET   1           H1       MET   1  17.626   2.451  10.161
    3   3H    MET   1           H3       MET   1  17.035   3.202   8.761
    4    HA   MET   1           HA       MET   1  15.037   2.781   9.667
    5   1HB   MET   1          1HB       MET   1  16.631   2.649  12.214
    6   2HB   MET   1          2HB       MET   1  14.872   2.760  12.284
    7   1HG   MET   1          2HG       MET   1  14.949   0.809  10.529
    8   2HG   MET   1          1HG       MET   1  16.585   0.567  11.145
    9   1HE   MET   1          3HE       MET   1  16.383  -1.656  12.067
   10   2HE   MET   1          2HE       MET   1  15.089  -2.277  13.086
   11   3HE   MET   1          1HE       MET   1  14.748  -1.834  11.415
   12    H    GLU   2           H        GLU   2  13.366   4.117  10.881
   13    HA   GLU   2           HA       GLU   2  12.400   6.227  11.233
   14   1HB   GLU   2          1HB       GLU   2  14.754   6.036  12.862
   15   2HB   GLU   2          2HB       GLU   2  14.617   7.689  12.263
   16   1HG   GLU   2          1HG       GLU   2  12.267   6.217  13.468
   17   2HG   GLU   2          2HG       GLU   2  13.378   7.178  14.445
   18    H    HIS   3           H        HIS   3  12.271   6.683   8.938
   19    HA   HIS   3           HA       HIS   3  13.465   9.130   8.140
   20   1HB   HIS   3          1HB       HIS   3  15.322   7.105   7.987
   21   2HB   HIS   3          2HB       HIS   3  14.663   7.121   6.352
   22    HD1  HIS   3           HD1      HIS   3  17.292   8.042   6.010
   23    HD2  HIS   3           HD2      HIS   3  14.505  10.675   7.649
   24    HE1  HIS   3           HE1      HIS   3  18.242  10.370   5.711
   25    H    VAL   4           H        VAL   4  12.123   6.024   7.104
   26    HA   VAL   4           HA       VAL   4  10.205   7.466   5.396
   27    HB   VAL   4           HB       VAL   4  12.109   7.131   3.869
   28   1HG1  VAL   4          3HG1      VAL   4  12.565   4.849   5.334
   29   2HG1  VAL   4          2HG1      VAL   4  11.868   4.193   3.853
   30   3HG1  VAL   4          1HG1      VAL   4  13.312   5.202   3.776
   31   1HG2  VAL   4          2HG2      VAL   4   9.657   6.785   3.155
   32   2HG2  VAL   4          1HG2      VAL   4  10.891   6.107   2.096
   33   3HG2  VAL   4          3HG2      VAL   4  10.008   5.057   3.205
   34    H    ALA   5           H        ALA   5   8.286   6.520   5.868
   35    HA   ALA   5           HA       ALA   5   6.728   4.876   6.520
   36   1HB   ALA   5          1HB       ALA   5   8.576   3.616   4.573
   37   2HB   ALA   5          3HB       ALA   5   7.648   2.492   5.564
   38   3HB   ALA   5          2HB       ALA   5   6.814   3.683   4.565
   39    H    PHE   6           H        PHE   6   6.769   2.443   7.401
   40    HA   PHE   6           HA       PHE   6   7.539   2.265  10.029
   41   1HB   PHE   6          1HB       PHE   6   8.285  -0.271   8.821
   42   2HB   PHE   6          2HB       PHE   6   6.922   0.097   9.864
   43    HD1  PHE   6           HD2      PHE   6   8.023   0.366   6.244
   44    HD2  PHE   6           HD1      PHE   6   4.756   0.035   9.023
   45    HE1  PHE   6           HE2      PHE   6   6.456   0.090   4.379
   46    HE2  PHE   6           HE1      PHE   6   3.210  -0.255   7.117
   47    HZ   PHE   6           HZ       PHE   6   4.055  -0.247   4.818
   48    H    GLY   7           H        GLY   7   9.536   1.321   7.302
   49   1HA   GLY   7          1HA       GLY   7  12.006   2.358   8.170
   50   2HA   GLY   7          2HA       GLY   7  11.934   0.672   8.713
   51    H    SER   8           H        SER   8  10.457   2.109   5.864
   52    HA   SER   8           HA       SER   8  11.311  -0.055   4.184
   53   1HB   SER   8          1HB       SER   8  10.211   2.554   3.175
   54   2HB   SER   8          2HB       SER   8  10.009   0.943   2.536
   55    HG   SER   8           HG       SER   8   8.162   1.555   3.664
   56    H    GLU   9           H        GLU   9  12.456   0.310   2.090
   57    HA   GLU   9           HA       GLU   9  14.944   1.824   2.556
   58   1HB   GLU   9          1HB       GLU   9  14.035  -0.353   0.758
   59   2HB   GLU   9          2HB       GLU   9  15.206   0.765   0.058
   60   1HG   GLU   9          1HG       GLU   9  16.890  -0.025   1.341
   61   2HG   GLU   9          2HG       GLU   9  15.893  -0.017   2.796
   62    H    ASP  10           H        ASP  10  13.132   3.761   2.366
   63    HA   ASP  10           HA       ASP  10  12.448   5.623   1.089
   64   1HB   ASP  10          1HB       ASP  10  15.012   5.492   0.653
   65   2HB   ASP  10          2HB       ASP  10  14.559   4.825  -0.916
   66    H    ILE  11           H        ILE  11  10.633   3.850   0.706
   67    HA   ILE  11           HA       ILE  11  10.438   2.522  -1.796
   68    HB   ILE  11           HB       ILE  11   8.100   3.618  -0.368
   69   1HG1  ILE  11          1HG1      ILE  11   9.566   2.573   1.336
   70   2HG1  ILE  11          2HG1      ILE  11   8.079   1.670   1.097
   71   1HG2  ILE  11          1HG2      ILE  11   8.348   2.077  -2.593
   72   2HG2  ILE  11          3HG2      ILE  11   8.102   0.867  -1.342
   73   3HG2  ILE  11          2HG2      ILE  11   6.914   2.135  -1.575
   74   1HD1  ILE  11          3HD1      ILE  11  10.005   0.742  -0.804
   75   2HD1  ILE  11          2HD1      ILE  11  10.744   0.724   0.796
   76   3HD1  ILE  11          1HD1      ILE  11   9.235  -0.142   0.510
   77    H    GLU  12           H        GLU  12   8.886   5.561  -0.761
   78    HA   GLU  12           HA       GLU  12   7.614   6.428  -2.986
   79   1HB   GLU  12          1HB       GLU  12   9.131   7.784  -0.870
   80   2HB   GLU  12          2HB       GLU  12   9.004   8.733  -2.350
   81   1HG   GLU  12          1HG       GLU  12   6.500   8.144  -2.310
   82   2HG   GLU  12          2HG       GLU  12   6.771   7.630  -0.645
   83    H    ASN  13           H        ASN  13  11.170   6.606  -2.647
   84    HA   ASN  13           HA       ASN  13  11.506   7.780  -5.297
   85   1HB   ASN  13          1HB       ASN  13  13.136   8.000  -3.344
   86   2HB   ASN  13          2HB       ASN  13  13.600   6.328  -3.657
   87   1HD2  ASN  13          2HD2      ASN  13  15.721   8.823  -5.641
   88   2HD2  ASN  13          1HD2      ASN  13  15.240   8.831  -4.013
   89    H    THR  14           H        THR  14  11.846   4.560  -3.870
   90    HA   THR  14           HA       THR  14  12.739   3.219  -6.238
   91    HB   THR  14           HB       THR  14  11.400   2.312  -3.678
   92    HG1  THR  14           HG1      THR  14  13.616   3.039  -3.752
   93   1HG2  THR  14          1HG2      THR  14  10.748   0.737  -5.465
   94   2HG2  THR  14          3HG2      THR  14  12.440   0.555  -5.923
   95   3HG2  THR  14          2HG2      THR  14  11.888  -0.002  -4.344
   96    H    LEU  15           H        LEU  15   9.668   4.489  -5.406
   97    HA   LEU  15           HA       LEU  15   8.253   2.607  -7.201
   98   1HB   LEU  15          1HB       LEU  15   7.056   4.878  -5.591
   99   2HB   LEU  15          2HB       LEU  15   6.211   3.505  -6.303
  100    HG   LEU  15           HG       LEU  15   8.392   3.058  -4.299
  101   1HD1  LEU  15          3HD1      LEU  15   5.957   4.462  -3.785
  102   2HD1  LEU  15          2HD1      LEU  15   5.869   2.878  -3.017
  103   3HD1  LEU  15          1HD1      LEU  15   7.201   3.969  -2.639
  104   1HD2  LEU  15          1HD2      LEU  15   7.278   1.239  -5.740
  105   2HD2  LEU  15          3HD2      LEU  15   7.352   0.957  -4.001
  106   3HD2  LEU  15          2HD2      LEU  15   5.851   1.510  -4.742
  107    H    ALA  16           H        ALA  16   9.534   5.824  -7.076
  108    HA   ALA  16           HA       ALA  16   8.006   6.683  -9.454
  109   1HB   ALA  16          1HB       ALA  16   8.737   8.150  -7.394
  110   2HB   ALA  16          3HB       ALA  16  10.276   8.243  -8.252
  111   3HB   ALA  16          2HB       ALA  16   8.802   8.836  -9.018
  112    H    LYS  17           H        LYS  17  10.926   5.051  -8.744
  113    HA   LYS  17           HA       LYS  17  11.982   5.718 -11.462
  114   1HB   LYS  17          1HB       LYS  17  13.311   6.228  -9.202
  115   2HB   LYS  17          2HB       LYS  17  13.746   4.525  -9.364
  116   1HG   LYS  17          1HG       LYS  17  15.292   5.095 -10.892
  117   2HG   LYS  17          2HG       LYS  17  14.004   5.685 -11.942
  118   1HD   LYS  17          1HD       LYS  17  15.052   7.692 -11.700
  119   2HD   LYS  17          2HD       LYS  17  14.192   7.743 -10.161
  120   1HE   LYS  17          1HE       LYS  17  16.944   6.526 -10.493
  121   2HE   LYS  17          2HE       LYS  17  16.673   8.192  -9.984
  122   1HZ   LYS  17          3HZ       LYS  17  15.088   7.011  -8.285
  123   2HZ   LYS  17          2HZ       LYS  17  16.126   5.694  -8.560
  124   3HZ   LYS  17          1HZ       LYS  17  16.748   7.161  -7.973
  125    H    MET  18           H        MET  18  12.313   3.099  -9.035
  126    HA   MET  18           HA       MET  18  12.137   0.774  -9.292
  127   1HB   MET  18          1HB       MET  18  10.260   1.918 -11.218
  128   2HB   MET  18          2HB       MET  18  10.895   0.357 -11.744
  129   1HG   MET  18          2HG       MET  18   9.854  -0.775 -10.065
  130   2HG   MET  18          1HG       MET  18  10.159   0.502  -8.888
  131   1HE   MET  18          2HE       MET  18   8.413   0.708  -7.717
  132   2HE   MET  18          1HE       MET  18   6.809   1.307  -8.130
  133   3HE   MET  18          3HE       MET  18   7.187  -0.412  -8.303
  134    H    ASP  19           H        ASP  19  13.338  -0.893 -10.301
  135    HA   ASP  19           HA       ASP  19  14.454  -0.976 -12.850
  136   1HB   ASP  19          1HB       ASP  19  15.655   1.140 -11.313
  137   2HB   ASP  19          2HB       ASP  19  16.864  -0.111 -11.611
  138    H    ASP  20           H        ASP  20  15.337  -1.330  -9.420
  139    HA   ASP  20           HA       ASP  20  16.888  -3.767 -10.003
  140   1HB   ASP  20          1HB       ASP  20  17.587  -2.104  -8.236
  141   2HB   ASP  20          2HB       ASP  20  16.164  -2.579  -7.309
  142    H    GLY  21           H        GLY  21  14.575  -4.460 -10.927
  143   1HA   GLY  21          1HA       GLY  21  12.949  -6.152 -10.714
  144   2HA   GLY  21          2HA       GLY  21  13.580  -6.481  -9.097
  145    H    GLN  22           H        GLN  22  12.804  -3.185  -9.712
  146    HA   GLN  22           HA       GLN  22  11.146  -1.811  -8.818
  147   1HB   GLN  22          1HB       GLN  22   9.762  -3.051 -10.438
  148   2HB   GLN  22          2HB       GLN  22   9.471  -4.302  -9.231
  149   1HG   GLN  22          1HG       GLN  22   8.101  -2.944  -7.952
  150   2HG   GLN  22          2HG       GLN  22   8.867  -1.462  -8.520
  151   1HE2  GLN  22          2HE2      GLN  22   7.051  -1.782 -11.766
  152   2HE2  GLN  22          1HE2      GLN  22   8.679  -1.696 -11.299
  153    H    LEU  23           H        LEU  23  12.786  -3.654  -7.082
  154    HA   LEU  23           HA       LEU  23  12.878  -4.308  -4.826
  155   1HB   LEU  23          1HB       LEU  23  11.563  -1.748  -5.034
  156   2HB   LEU  23          2HB       LEU  23  10.911  -2.647  -3.666
  157    HG   LEU  23           HG       LEU  23  13.388  -3.149  -3.081
  158   1HD1  LEU  23          1HD1      LEU  23  13.653  -0.829  -5.013
  159   2HD1  LEU  23          3HD1      LEU  23  14.901  -1.272  -3.849
  160   3HD1  LEU  23          2HD1      LEU  23  14.441  -2.402  -5.121
  161   1HD2  LEU  23          3HD2      LEU  23  11.599  -1.098  -2.384
  162   2HD2  LEU  23          2HD2      LEU  23  13.024  -1.604  -1.476
  163   3HD2  LEU  23          1HD2      LEU  23  13.145  -0.288  -2.643
  164    H    ASP  24           H        ASP  24  11.066  -5.849  -6.444
  165    HA   ASP  24           HA       ASP  24   8.527  -6.175  -5.113
  166   1HB   ASP  24          1HB       ASP  24   8.383  -8.269  -6.415
  167   2HB   ASP  24          2HB       ASP  24   8.930  -6.932  -7.430
  168    H    GLY  25           H        GLY  25  11.693  -6.978  -4.140
  169   1HA   GLY  25          1HA       GLY  25  10.843  -9.332  -2.558
  170   2HA   GLY  25          2HA       GLY  25  12.495  -8.734  -2.714
  171    H    LEU  26           H        LEU  26  10.021  -6.398  -2.020
  172    HA   LEU  26           HA       LEU  26  11.290  -5.607   0.415
  173   1HB   LEU  26          1HB       LEU  26   8.580  -4.931  -0.778
  174   2HB   LEU  26          2HB       LEU  26   9.196  -4.202   0.702
  175    HG   LEU  26           HG       LEU  26  10.914  -4.128  -1.756
  176   1HD1  LEU  26          3HD1      LEU  26   8.473  -2.412  -1.211
  177   2HD1  LEU  26          2HD1      LEU  26   9.778  -1.899  -2.280
  178   3HD1  LEU  26          1HD1      LEU  26   8.832  -3.337  -2.668
  179   1HD2  LEU  26          2HD2      LEU  26  10.755  -2.880   0.881
  180   2HD2  LEU  26          1HD2      LEU  26  12.113  -2.941  -0.244
  181   3HD2  LEU  26          3HD2      LEU  26  10.891  -1.680  -0.403
  182    H    ALA  27           H        ALA  27  10.444  -5.817   2.504
  183    HA   ALA  27           HA       ALA  27   8.952  -8.317   3.014
  184   1HB   ALA  27          1HB       ALA  27  10.369  -6.315   4.783
  185   2HB   ALA  27          3HB       ALA  27   9.337  -7.574   5.462
  186   3HB   ALA  27          2HB       ALA  27  10.764  -8.015   4.523
  187    H    PHE  28           H        PHE  28   7.984  -5.424   2.052
  188    HA   PHE  28           HA       PHE  28   5.384  -5.615   3.349
  189   1HB   PHE  28          1HB       PHE  28   5.449  -3.128   3.875
  190   2HB   PHE  28          2HB       PHE  28   6.468  -4.121   4.903
  191    HD1  PHE  28           HD1      PHE  28   8.962  -4.520   3.921
  192    HD2  PHE  28           HD2      PHE  28   6.383  -1.235   2.999
  193    HE1  PHE  28           HE1      PHE  28  10.930  -3.178   3.236
  194    HE2  PHE  28           HE2      PHE  28   8.329   0.111   2.302
  195    HZ   PHE  28           HZ       PHE  28  10.616  -0.854   2.423
  196    H    GLY  29           H        GLY  29   4.078  -5.532   1.620
  197   1HA   GLY  29          1HA       GLY  29   4.821  -4.881  -1.002
  198   2HA   GLY  29          2HA       GLY  29   3.159  -4.890  -0.432
  199    H    ALA  30           H        ALA  30   4.077  -3.059  -2.371
  200    HA   ALA  30           HA       ALA  30   3.633  -0.530  -0.869
  201   1HB   ALA  30          2HB       ALA  30   6.136  -1.036  -1.775
  202   2HB   ALA  30          1HB       ALA  30   5.434  -0.347  -3.238
  203   3HB   ALA  30          3HB       ALA  30   5.450   0.588  -1.744
  204    H    ILE  31           H        ILE  31   1.735   0.234  -1.675
  205    HA   ILE  31           HA       ILE  31   1.212  -0.248  -4.576
  206    HB   ILE  31           HB       ILE  31  -1.105  -0.540  -4.112
  207   1HG1  ILE  31          1HG1      ILE  31  -1.773  -0.356  -1.551
  208   2HG1  ILE  31          2HG1      ILE  31  -0.415   0.766  -1.499
  209   1HG2  ILE  31          1HG2      ILE  31   0.349  -2.446  -3.507
  210   2HG2  ILE  31          3HG2      ILE  31   0.454  -1.835  -1.858
  211   3HG2  ILE  31          2HG2      ILE  31  -1.094  -2.388  -2.492
  212   1HD1  ILE  31          3HD1      ILE  31  -1.731   1.565  -3.782
  213   2HD1  ILE  31          2HD1      ILE  31  -3.065   1.090  -2.732
  214   3HD1  ILE  31          1HD1      ILE  31  -1.918   2.318  -2.198
  215    H    GLN  32           H        GLN  32  -0.033   1.441  -5.665
  216    HA   GLN  32           HA       GLN  32   0.244   4.101  -4.339
  217   1HB   GLN  32          1HB       GLN  32   1.122   3.138  -7.009
  218   2HB   GLN  32          2HB       GLN  32   0.360   4.729  -6.977
  219   1HG   GLN  32          1HG       GLN  32   1.941   5.508  -5.298
  220   2HG   GLN  32          2HG       GLN  32   2.648   3.897  -5.170
  221   1HE2  GLN  32          2HE2      GLN  32   4.590   4.218  -8.132
  222   2HE2  GLN  32          1HE2      GLN  32   3.998   3.143  -6.960
  223    H    LEU  33           H        LEU  33  -1.325   5.731  -5.404
  224    HA   LEU  33           HA       LEU  33  -3.691   4.467  -6.607
  225   1HB   LEU  33          1HB       LEU  33  -3.617   5.622  -3.840
  226   2HB   LEU  33          2HB       LEU  33  -5.083   5.792  -4.804
  227    HG   LEU  33           HG       LEU  33  -3.674   3.174  -4.210
  228   1HD1  LEU  33          1HD1      LEU  33  -5.128   4.601  -2.432
  229   2HD1  LEU  33          3HD1      LEU  33  -6.434   3.757  -3.263
  230   3HD1  LEU  33          2HD1      LEU  33  -5.148   2.838  -2.479
  231   1HD2  LEU  33          3HD2      LEU  33  -5.637   3.964  -6.181
  232   2HD2  LEU  33          2HD2      LEU  33  -4.883   2.388  -5.944
  233   3HD2  LEU  33          1HD2      LEU  33  -6.348   2.804  -5.059
  234    H    ASP  34           H        ASP  34  -5.063   6.010  -7.628
  235    HA   ASP  34           HA       ASP  34  -3.866   8.725  -7.882
  236   1HB   ASP  34          1HB       ASP  34  -4.710   6.898  -9.845
  237   2HB   ASP  34          2HB       ASP  34  -5.993   8.103  -9.775
  238    H    GLY  35           H        GLY  35  -5.690  10.441  -8.161
  239   1HA   GLY  35          1HA       GLY  35  -7.175  10.695  -5.845
  240   2HA   GLY  35          2HA       GLY  35  -7.636  11.482  -7.348
  241    H    ASP  36           H        ASP  36  -8.203   8.807  -8.665
  242    HA   ASP  36           HA       ASP  36 -10.947   8.579  -7.619
  243   1HB   ASP  36          1HB       ASP  36  -9.580   7.994 -10.107
  244   2HB   ASP  36          2HB       ASP  36 -10.553   6.616  -9.591
  245    H    GLY  37           H        GLY  37  -8.263   7.344  -6.434
  246   1HA   GLY  37          1HA       GLY  37  -7.870   5.577  -4.948
  247   2HA   GLY  37          2HA       GLY  37  -9.539   5.066  -5.198
  248    H    ASN  38           H        ASN  38  -7.425   5.632  -7.931
  249    HA   ASN  38           HA       ASN  38  -7.756   2.763  -8.644
  250   1HB   ASN  38          1HB       ASN  38  -6.902   5.208 -10.178
  251   2HB   ASN  38          2HB       ASN  38  -6.658   3.589 -10.835
  252   1HD2  ASN  38          2HD2      ASN  38 -10.313   2.979 -10.806
  253   2HD2  ASN  38          1HD2      ASN  38  -8.929   2.210 -10.194
  254    H    ILE  39           H        ILE  39  -6.127   1.293  -8.678
  255    HA   ILE  39           HA       ILE  39  -3.670   1.859  -7.333
  256    HB   ILE  39           HB       ILE  39  -5.023  -0.447  -8.270
  257   1HG1  ILE  39          1HG1      ILE  39  -2.922  -1.483  -6.981
  258   2HG1  ILE  39          2HG1      ILE  39  -2.651   0.210  -6.565
  259   1HG2  ILE  39          2HG2      ILE  39  -3.482  -0.273 -10.295
  260   2HG2  ILE  39          1HG2      ILE  39  -2.142  -0.566  -9.187
  261   3HG2  ILE  39          3HG2      ILE  39  -3.398  -1.787  -9.394
  262   1HD1  ILE  39          2HD1      ILE  39  -5.370  -0.071  -6.155
  263   2HD1  ILE  39          1HD1      ILE  39  -4.740  -1.631  -5.624
  264   3HD1  ILE  39          3HD1      ILE  39  -4.139  -0.142  -4.893
  265    H    LEU  40           H        LEU  40  -1.688   2.369  -8.013
  266    HA   LEU  40           HA       LEU  40  -1.309   2.948 -10.922
  267   1HB   LEU  40          1HB       LEU  40   0.501   4.051  -8.789
  268   2HB   LEU  40          2HB       LEU  40   0.080   4.743 -10.353
  269    HG   LEU  40           HG       LEU  40  -1.826   4.498  -8.004
  270   1HD1  LEU  40          2HD1      LEU  40   0.255   6.326  -8.368
  271   2HD1  LEU  40          1HD1      LEU  40  -1.185   7.180  -8.923
  272   3HD1  LEU  40          3HD1      LEU  40  -1.129   6.517  -7.292
  273   1HD2  LEU  40          2HD2      LEU  40  -2.078   5.295 -10.847
  274   2HD2  LEU  40          1HD2      LEU  40  -3.291   4.637  -9.751
  275   3HD2  LEU  40          3HD2      LEU  40  -2.876   6.348  -9.680
  276    H    GLN  41           H        GLN  41  -0.131   1.324  -8.071
  277    HA   GLN  41           HA       GLN  41   1.463  -0.524  -9.652
  278   1HB   GLN  41          1HB       GLN  41   3.221   1.021  -9.606
  279   2HB   GLN  41          2HB       GLN  41   2.749   1.677  -8.046
  280   1HG   GLN  41          1HG       GLN  41   3.663  -1.172  -8.165
  281   2HG   GLN  41          2HG       GLN  41   4.871   0.097  -8.299
  282   1HE2  GLN  41          2HE2      GLN  41   2.826   0.809  -4.890
  283   2HE2  GLN  41          1HE2      GLN  41   2.110   1.039  -6.394
  284    H    TYR  42           H        TYR  42   2.222  -2.342  -8.183
  285    HA   TYR  42           HA       TYR  42   0.885  -2.325  -5.510
  286   1HB   TYR  42          1HB       TYR  42  -0.211  -3.559  -7.710
  287   2HB   TYR  42          2HB       TYR  42   0.728  -4.872  -7.011
  288    HD1  TYR  42           HD1      TYR  42  -1.217  -2.040  -5.503
  289    HD2  TYR  42           HD2      TYR  42  -0.698  -6.291  -5.789
  290    HE1  TYR  42           HE1      TYR  42  -3.014  -2.386  -3.814
  291    HE2  TYR  42           HE2      TYR  42  -2.488  -6.623  -4.116
  292    HH   TYR  42           HH       TYR  42  -3.650  -5.600  -2.499
  293    H    ASN  43           H        ASN  43   2.964  -4.221  -7.701
  294    HA   ASN  43           HA       ASN  43   5.123  -5.059  -7.357
  295   1HB   ASN  43          1HB       ASN  43   6.401  -4.328  -5.638
  296   2HB   ASN  43          2HB       ASN  43   5.041  -3.272  -5.297
  297   1HD2  ASN  43          2HD2      ASN  43   6.163  -5.363  -2.285
  298   2HD2  ASN  43          1HD2      ASN  43   7.083  -4.551  -3.453
  299    H    ALA  44           H        ALA  44   6.073  -7.046  -6.074
  300    HA   ALA  44           HA       ALA  44   3.853  -8.999  -5.997
  301   1HB   ALA  44          1HB       ALA  44   6.637  -9.034  -6.793
  302   2HB   ALA  44          3HB       ALA  44   6.268 -10.377  -5.709
  303   3HB   ALA  44          2HB       ALA  44   5.343 -10.163  -7.197
  304    H    ALA  45           H        ALA  45   5.895  -7.418  -3.674
  305    HA   ALA  45           HA       ALA  45   6.144  -9.505  -1.749
  306   1HB   ALA  45          3HB       ALA  45   7.069  -7.028  -1.754
  307   2HB   ALA  45          2HB       ALA  45   5.591  -6.697  -0.851
  308   3HB   ALA  45          1HB       ALA  45   6.765  -7.855  -0.227
  309    H    GLU  46           H        GLU  46   3.746  -6.867  -1.636
  310    HA   GLU  46           HA       GLU  46   2.053  -8.144   0.262
  311   1HB   GLU  46          1HB       GLU  46   0.226  -6.666  -0.889
  312   2HB   GLU  46          2HB       GLU  46   1.549  -5.880  -0.039
  313   1HG   GLU  46          1HG       GLU  46   2.035  -4.767  -1.937
  314   2HG   GLU  46          2HG       GLU  46   2.409  -6.302  -2.714
  315    HE1  GLU  46           HE1      GLU  46  -0.938  -6.973  -2.853
  316    H    GLY  47           H        GLY  47   1.771  -7.963  -3.256
  317   1HA   GLY  47          1HA       GLY  47  -0.510  -9.617  -3.565
  318   2HA   GLY  47          2HA       GLY  47   0.748  -9.409  -4.794
  319    H    ASP  48           H        ASP  48   2.687 -10.463  -2.539
  320    HA   ASP  48           HA       ASP  48   2.569 -13.231  -3.440
  321   1HB   ASP  48          1HB       ASP  48   4.745 -12.159  -2.991
  322   2HB   ASP  48          2HB       ASP  48   4.287 -11.921  -1.304
  323    H    ILE  49           H        ILE  49   1.887 -11.455  -0.441
  324    HA   ILE  49           HA       ILE  49   1.157 -13.832   1.039
  325    HB   ILE  49           HB       ILE  49   1.564 -11.079   1.585
  326   1HG1  ILE  49          1HG1      ILE  49   2.564 -12.965   2.779
  327   2HG1  ILE  49          2HG1      ILE  49   1.719 -11.901   3.904
  328   1HG2  ILE  49          1HG2      ILE  49  -1.141 -12.084   2.470
  329   2HG2  ILE  49          3HG2      ILE  49  -0.279 -10.811   3.336
  330   3HG2  ILE  49          2HG2      ILE  49  -0.760 -10.566   1.657
  331   1HD1  ILE  49          3HD1      ILE  49  -0.304 -13.576   3.257
  332   2HD1  ILE  49          2HD1      ILE  49   1.064 -14.674   3.067
  333   3HD1  ILE  49          1HD1      ILE  49   0.785 -13.869   4.611
  334    H    THR  50           H        THR  50  -0.814 -11.122  -0.196
  335    HA   THR  50           HA       THR  50  -3.265 -12.707   0.086
  336    HB   THR  50           HB       THR  50  -3.885 -10.494   0.326
  337    HG1  THR  50           HG1      THR  50  -4.012 -10.608  -2.486
  338   1HG2  THR  50          2HG2      THR  50  -1.544  -9.973  -1.418
  339   2HG2  THR  50          1HG2      THR  50  -2.871  -8.861  -1.633
  340   3HG2  THR  50          3HG2      THR  50  -2.147  -9.045  -0.044
  341    H    GLY  51           H        GLY  51  -0.852 -12.638  -2.268
  342   1HA   GLY  51          1HA       GLY  51  -0.796 -13.940  -4.242
  343   2HA   GLY  51          2HA       GLY  51  -2.516 -14.247  -4.041
  344    H    ARG  52           H        ARG  52  -2.295 -10.979  -3.717
  345    HA   ARG  52           HA       ARG  52  -3.501 -10.434  -6.239
  346   1HB   ARG  52          1HB       ARG  52  -2.512  -8.836  -3.966
  347   2HB   ARG  52          2HB       ARG  52  -2.463  -7.995  -5.517
  348   1HG   ARG  52          1HG       ARG  52  -4.696  -7.743  -5.518
  349   2HG   ARG  52          2HG       ARG  52  -4.940  -9.467  -5.250
  350   1HD   ARG  52          1HD       ARG  52  -5.445  -9.121  -3.091
  351   2HD   ARG  52          2HD       ARG  52  -3.972  -8.186  -2.869
  352    HE   ARG  52           HE       ARG  52  -5.380  -6.309  -2.809
  353   1HH1  ARG  52          2HH1      ARG  52  -5.843  -6.098  -5.693
  354   2HH1  ARG  52          1HH1      ARG  52  -7.542  -6.385  -5.859
  355   1HH2  ARG  52          1HH2      ARG  52  -7.856  -7.853  -2.739
  356   2HH2  ARG  52          2HH2      ARG  52  -8.683  -7.401  -4.188
  357    H    ASP  53           H        ASP  53  -2.581  -8.922  -7.888
  358    HA   ASP  53           HA       ASP  53   0.354  -9.296  -8.275
  359   1HB   ASP  53          1HB       ASP  53  -1.909 -10.124 -10.033
  360   2HB   ASP  53          2HB       ASP  53  -0.517  -9.395 -10.831
  361    HA   PRO  54           HA       PRO  54   0.189  -5.045  -9.399
  362   1HB   PRO  54          1HB       PRO  54   2.035  -4.871 -11.436
  363   2HB   PRO  54          2HB       PRO  54   2.473  -5.065  -9.730
  364   1HG   PRO  54          1HG       PRO  54   2.543  -7.082 -11.926
  365   2HG   PRO  54          2HG       PRO  54   3.507  -7.005 -10.441
  366   1HD   PRO  54          1HD       PRO  54   1.278  -8.692 -10.881
  367   2HD   PRO  54          2HD       PRO  54   2.037  -8.354  -9.310
  368    H    LYS  55           H        LYS  55   0.049  -7.232 -12.204
  369    HA   LYS  55           HA       LYS  55  -1.264  -5.257 -13.885
  370   1HB   LYS  55          1HB       LYS  55  -1.487  -7.097 -15.501
  371   2HB   LYS  55          2HB       LYS  55   0.155  -7.037 -14.862
  372   1HG   LYS  55          1HG       LYS  55  -0.773  -8.725 -13.075
  373   2HG   LYS  55          2HG       LYS  55  -2.029  -9.015 -14.277
  374   1HD   LYS  55          1HD       LYS  55   0.197  -9.100 -15.846
  375   2HD   LYS  55          2HD       LYS  55   0.839  -9.739 -14.334
  376   1HE   LYS  55          1HE       LYS  55  -1.269 -11.244 -14.312
  377   2HE   LYS  55          2HE       LYS  55  -1.420 -10.814 -16.016
  378   1HZ   LYS  55          2HZ       LYS  55   1.052 -11.928 -14.812
  379   2HZ   LYS  55          1HZ       LYS  55  -0.128 -12.876 -15.583
  380   3HZ   LYS  55          3HZ       LYS  55   0.721 -11.701 -16.462
  381    H    GLN  56           H        GLN  56  -2.246  -7.709 -11.619
  382    HA   GLN  56           HA       GLN  56  -5.000  -7.850 -12.592
  383   1HB   GLN  56          1HB       GLN  56  -3.546  -9.563 -11.125
  384   2HB   GLN  56          2HB       GLN  56  -4.306  -8.669  -9.807
  385   1HG   GLN  56          1HG       GLN  56  -6.132  -9.951 -10.105
  386   2HG   GLN  56          2HG       GLN  56  -6.372  -9.134 -11.651
  387   1HE2  GLN  56          2HE2      GLN  56  -4.323 -11.856 -13.264
  388   2HE2  GLN  56          1HE2      GLN  56  -4.081 -10.190 -13.044
  389    H    VAL  57           H        VAL  57  -3.339  -6.319  -9.829
  390    HA   VAL  57           HA       VAL  57  -5.733  -5.077  -8.796
  391    HB   VAL  57           HB       VAL  57  -4.136  -3.603  -7.549
  392   1HG1  VAL  57          3HG1      VAL  57  -4.578  -6.371  -7.297
  393   2HG1  VAL  57          2HG1      VAL  57  -2.852  -6.140  -7.021
  394   3HG1  VAL  57          1HG1      VAL  57  -4.026  -5.263  -6.041
  395   1HG2  VAL  57          3HG2      VAL  57  -2.340  -4.678  -9.597
  396   2HG2  VAL  57          2HG2      VAL  57  -2.149  -3.255  -8.574
  397   3HG2  VAL  57          1HG2      VAL  57  -1.687  -4.846  -7.968
  398    H    ILE  58           H        ILE  58  -3.884  -4.480 -11.585
  399    HA   ILE  58           HA       ILE  58  -4.108  -1.615 -11.645
  400    HB   ILE  58           HB       ILE  58  -3.207  -3.765 -13.441
  401   1HG1  ILE  58          1HG1      ILE  58  -2.478  -0.835 -13.302
  402   2HG1  ILE  58          2HG1      ILE  58  -1.867  -2.043 -12.171
  403   1HG2  ILE  58          1HG2      ILE  58  -4.731  -1.425 -14.579
  404   2HG2  ILE  58          3HG2      ILE  58  -3.351  -2.092 -15.451
  405   3HG2  ILE  58          2HG2      ILE  58  -4.746  -3.111 -15.097
  406   1HD1  ILE  58          1HD1      ILE  58  -1.556  -2.208 -15.184
  407   2HD1  ILE  58          3HD1      ILE  58  -0.302  -1.638 -14.083
  408   3HD1  ILE  58          2HD1      ILE  58  -0.858  -3.310 -13.997
  409    H    GLY  59           H        GLY  59  -5.921  -0.509 -11.833
  410   1HA   GLY  59          1HA       GLY  59  -8.003   0.067 -12.965
  411   2HA   GLY  59          2HA       GLY  59  -8.172  -1.629 -13.438
  412    H    LYS  60           H        LYS  60  -7.314  -2.432 -10.658
  413    HA   LYS  60           HA       LYS  60  -9.975  -2.481  -9.460
  414   1HB   LYS  60          1HB       LYS  60  -7.394  -3.374  -8.141
  415   2HB   LYS  60          2HB       LYS  60  -9.026  -3.959  -7.830
  416   1HG   LYS  60          1HG       LYS  60  -7.497  -4.346 -10.423
  417   2HG   LYS  60          2HG       LYS  60  -7.726  -5.576  -9.181
  418   1HD   LYS  60          1HD       LYS  60 -10.253  -4.342  -9.957
  419   2HD   LYS  60          2HD       LYS  60  -9.435  -5.086 -11.332
  420   1HE   LYS  60          1HE       LYS  60  -9.065  -7.094  -9.698
  421   2HE   LYS  60          2HE       LYS  60 -10.381  -6.366  -8.780
  422   1HZ   LYS  60          3HZ       LYS  60 -11.717  -6.395 -10.831
  423   2HZ   LYS  60          2HZ       LYS  60 -10.461  -7.222 -11.622
  424   3HZ   LYS  60          1HZ       LYS  60 -11.272  -7.949 -10.317
  425    H    ASN  61           H        ASN  61 -10.686  -1.051  -7.930
  426    HA   ASN  61           HA       ASN  61  -8.936   1.163  -7.175
  427   1HB   ASN  61          1HB       ASN  61 -11.760   0.666  -7.236
  428   2HB   ASN  61          2HB       ASN  61 -11.313   1.143  -5.597
  429   1HD2  ASN  61          2HD2      ASN  61 -10.786   3.831  -8.664
  430   2HD2  ASN  61          1HD2      ASN  61 -10.912   2.178  -9.022
  431    H    PHE  62           H        PHE  62  -7.797   1.310  -5.276
  432    HA   PHE  62           HA       PHE  62  -7.413  -0.975  -3.609
  433   1HB   PHE  62          1HB       PHE  62  -5.818   0.931  -3.778
  434   2HB   PHE  62          2HB       PHE  62  -6.956   1.908  -2.842
  435    HD1  PHE  62           HD1      PHE  62  -4.737  -1.025  -2.776
  436    HD2  PHE  62           HD2      PHE  62  -7.355   1.491  -0.498
  437    HE1  PHE  62           HE1      PHE  62  -3.891  -2.051  -0.672
  438    HE2  PHE  62           HE2      PHE  62  -6.527   0.464   1.597
  439    HZ   PHE  62           HZ       PHE  62  -4.812  -1.323   1.511
  440    H    PHE  63           H        PHE  63  -9.987   1.280  -3.673
  441    HA   PHE  63           HA       PHE  63 -10.837   0.337  -0.969
  442   1HB   PHE  63          1HB       PHE  63 -11.355   3.025  -2.275
  443   2HB   PHE  63          2HB       PHE  63 -12.025   2.508  -0.728
  444    HD1  PHE  63           HD2      PHE  63 -10.485   2.011   1.193
  445    HD2  PHE  63           HD1      PHE  63  -9.098   3.797  -2.460
  446    HE1  PHE  63           HE2      PHE  63  -8.415   2.754   2.339
  447    HE2  PHE  63           HE1      PHE  63  -7.029   4.538  -1.312
  448    HZ   PHE  63           HZ       PHE  63  -6.687   4.017   1.088
  449    H    LYS  64           H        LYS  64 -11.479  -0.885  -3.592
  450    HA   LYS  64           HA       LYS  64 -14.406  -0.858  -3.270
  451   1HB   LYS  64          1HB       LYS  64 -13.166   0.728  -5.284
  452   2HB   LYS  64          2HB       LYS  64 -13.947  -0.635  -6.087
  453   1HG   LYS  64          1HG       LYS  64 -15.368   0.984  -3.970
  454   2HG   LYS  64          2HG       LYS  64 -15.398   1.450  -5.672
  455   1HD   LYS  64          1HD       LYS  64 -16.401  -0.658  -6.301
  456   2HD   LYS  64          2HD       LYS  64 -16.208  -1.291  -4.666
  457   1HE   LYS  64          1HE       LYS  64 -17.660   1.262  -4.769
  458   2HE   LYS  64          2HE       LYS  64 -18.478  -0.048  -5.618
  459   1HZ   LYS  64          3HZ       LYS  64 -17.461  -0.190  -2.832
  460   2HZ   LYS  64          2HZ       LYS  64 -19.086   0.050  -3.269
  461   3HZ   LYS  64          1HZ       LYS  64 -18.308  -1.411  -3.650
  462    H    ASP  65           H        ASP  65 -11.621  -2.097  -5.124
  463    HA   ASP  65           HA       ASP  65 -12.984  -4.749  -5.082
  464   1HB   ASP  65          1HB       ASP  65 -12.019  -3.195  -7.414
  465   2HB   ASP  65          2HB       ASP  65 -11.619  -4.912  -7.414
  466    H    VAL  66           H        VAL  66 -10.386  -3.157  -3.901
  467    HA   VAL  66           HA       VAL  66  -8.583  -5.485  -4.367
  468    HB   VAL  66           HB       VAL  66  -7.917  -2.671  -3.522
  469   1HG1  VAL  66          1HG1      VAL  66  -6.495  -4.842  -2.830
  470   2HG1  VAL  66          3HG1      VAL  66  -5.828  -4.571  -4.438
  471   3HG1  VAL  66          2HG1      VAL  66  -5.736  -3.303  -3.219
  472   1HG2  VAL  66          2HG2      VAL  66  -8.540  -2.892  -5.902
  473   2HG2  VAL  66          1HG2      VAL  66  -6.827  -2.510  -5.708
  474   3HG2  VAL  66          3HG2      VAL  66  -7.326  -4.161  -6.083
  475    H    ALA  67           H        ALA  67 -10.029  -3.319  -2.041
  476    HA   ALA  67           HA       ALA  67  -9.621  -5.312   0.085
  477   1HB   ALA  67          1HB       ALA  67  -8.280  -2.623  -0.060
  478   2HB   ALA  67          3HB       ALA  67  -8.686  -3.317   1.509
  479   3HB   ALA  67          2HB       ALA  67  -7.597  -4.176   0.419
  480    HA   PRO  68           HA       PRO  68 -13.625  -3.160   0.479
  481   1HB   PRO  68          1HB       PRO  68 -14.913  -5.279   1.666
  482   2HB   PRO  68          2HB       PRO  68 -14.743  -5.088  -0.086
  483   1HG   PRO  68          1HG       PRO  68 -13.283  -6.933   1.752
  484   2HG   PRO  68          2HG       PRO  68 -13.659  -7.127   0.032
  485   1HD   PRO  68          1HD       PRO  68 -11.157  -6.366   1.079
  486   2HD   PRO  68          2HD       PRO  68 -11.667  -6.183  -0.612
  487    H    CYS  69           H        CYS  69 -11.307  -4.128   2.694
  488    HA   CYS  69           HA       CYS  69 -12.920  -3.432   5.084
  489   1HB   CYS  69          1HB       CYS  69 -10.972  -4.211   6.347
  490   2HB   CYS  69          2HB       CYS  69 -11.396  -5.421   5.136
  491    H    THR  70           H        THR  70 -10.467  -2.190   2.952
  492    HA   THR  70           HA       THR  70  -9.387  -0.169   4.669
  493    HB   THR  70           HB       THR  70  -8.556   0.832   2.548
  494    HG1  THR  70           HG1      THR  70 -10.629  -0.035   1.470
  495   1HG2  THR  70          3HG2      THR  70  -8.296  -2.059   3.219
  496   2HG2  THR  70          2HG2      THR  70  -7.599  -1.513   1.692
  497   3HG2  THR  70          1HG2      THR  70  -7.071  -0.791   3.212
  498    H    ASP  71           H        ASP  71 -12.468  -0.450   3.253
  499    HA   ASP  71           HA       ASP  71 -12.892   2.450   2.980
  500   1HB   ASP  71          1HB       ASP  71 -14.476  -0.024   2.443
  501   2HB   ASP  71          2HB       ASP  71 -15.371   1.463   2.762
  502    H    SER  72           H        SER  72 -12.151   2.473   5.432
  503    HA   SER  72           HA       SER  72 -14.631   2.713   7.021
  504   1HB   SER  72          1HB       SER  72 -12.774   0.553   7.348
  505   2HB   SER  72          2HB       SER  72 -12.660   1.602   8.757
  506    HG   SER  72           HG       SER  72 -14.440  -0.180   8.417
  507    HA   PRO  73           HA       PRO  73 -12.542   6.178   8.763
  508   1HB   PRO  73          1HB       PRO  73 -13.234   6.068  11.423
  509   2HB   PRO  73          2HB       PRO  73 -14.357   6.542  10.137
  510   1HG   PRO  73          1HG       PRO  73 -14.219   3.978  11.656
  511   2HG   PRO  73          2HG       PRO  73 -15.613   4.752  10.883
  512   1HD   PRO  73          1HD       PRO  73 -14.148   2.575   9.836
  513   2HD   PRO  73          2HD       PRO  73 -15.295   3.587   8.933
  514    H    GLU  74           H        GLU  74 -10.421   5.060   8.372
  515    HA   GLU  74           HA       GLU  74  -8.574   5.322  10.454
  516   1HB   GLU  74          1HB       GLU  74 -10.125   2.930  10.741
  517   2HB   GLU  74          2HB       GLU  74  -8.481   2.471  10.298
  518   1HG   GLU  74          1HG       GLU  74  -7.661   4.038  12.114
  519   2HG   GLU  74          2HG       GLU  74  -9.339   4.195  12.634
  520    H    PHE  75           H        PHE  75  -9.579   3.434   7.677
  521    HA   PHE  75           HA       PHE  75  -6.780   3.444   6.632
  522   1HB   PHE  75          1HB       PHE  75  -8.542   1.369   6.734
  523   2HB   PHE  75          2HB       PHE  75  -8.942   2.040   5.154
  524    HD1  PHE  75           HD2      PHE  75  -6.952   2.582   3.577
  525    HD2  PHE  75           HD1      PHE  75  -6.681  -0.046   6.958
  526    HE1  PHE  75           HE2      PHE  75  -4.931   1.536   2.597
  527    HE2  PHE  75           HE1      PHE  75  -4.655  -1.094   5.983
  528    HZ   PHE  75           HZ       PHE  75  -3.777  -0.303   3.803
  529    H    TYR  76           H        TYR  76 -10.077   3.654   5.219
  530    HA   TYR  76           HA       TYR  76  -9.126   5.523   3.184
  531   1HB   TYR  76          1HB       TYR  76 -11.078   3.858   2.926
  532   2HB   TYR  76          2HB       TYR  76 -12.027   5.015   3.860
  533    HD1  TYR  76           HD1      TYR  76  -9.449   5.259   1.133
  534    HD2  TYR  76           HD2      TYR  76 -13.360   6.371   2.521
  535    HE1  TYR  76           HE1      TYR  76  -9.780   6.631  -0.910
  536    HE2  TYR  76           HE2      TYR  76 -13.692   7.741   0.479
  537    HH   TYR  76           HH       TYR  76 -12.683   7.666  -1.968
  538    H    GLY  77           H        GLY  77 -10.379   5.726   6.401
  539   1HA   GLY  77          1HA       GLY  77 -11.490   8.361   6.333
  540   2HA   GLY  77          2HA       GLY  77 -10.835   7.576   7.761
  541    H    LYS  78           H        LYS  78  -8.273   7.303   7.466
  542    HA   LYS  78           HA       LYS  78  -7.236   9.977   7.573
  543   1HB   LYS  78          1HB       LYS  78  -5.508   7.542   7.199
  544   2HB   LYS  78          2HB       LYS  78  -5.167   9.003   8.124
  545   1HG   LYS  78          1HG       LYS  78  -6.978   6.703   8.831
  546   2HG   LYS  78          2HG       LYS  78  -5.712   7.446   9.803
  547   1HD   LYS  78          1HD       LYS  78  -7.386   9.573   9.464
  548   2HD   LYS  78          2HD       LYS  78  -8.548   8.246   9.447
  549   1HE   LYS  78          1HE       LYS  78  -7.273   7.408  11.562
  550   2HE   LYS  78          2HE       LYS  78  -6.643   9.053  11.640
  551   1HZ   LYS  78          1HZ       LYS  78  -9.506   8.794  11.217
  552   2HZ   LYS  78          3HZ       LYS  78  -8.939   8.318  12.744
  553   3HZ   LYS  78          2HZ       LYS  78  -8.643   9.894  12.182
  554    H    PHE  79           H        PHE  79  -7.842   7.913   4.959
  555    HA   PHE  79           HA       PHE  79  -5.829   9.018   3.189
  556   1HB   PHE  79          1HB       PHE  79  -6.542   6.747   2.855
  557   2HB   PHE  79          2HB       PHE  79  -8.227   7.243   2.811
  558    HD1  PHE  79           HD1      PHE  79  -9.046   8.672   0.886
  559    HD2  PHE  79           HD2      PHE  79  -5.188   6.759   0.846
  560    HE1  PHE  79           HE1      PHE  79  -8.950   8.891  -1.589
  561    HE2  PHE  79           HE2      PHE  79  -5.123   6.969  -1.607
  562    HZ   PHE  79           HZ       PHE  79  -6.982   8.027  -2.827
  563    H    LYS  80           H        LYS  80  -9.249   9.492   3.880
  564    HA   LYS  80           HA       LYS  80  -9.643  11.285   1.669
  565   1HB   LYS  80          1HB       LYS  80 -11.250  10.182   3.875
  566   2HB   LYS  80          2HB       LYS  80 -11.691  11.824   3.406
  567   1HG   LYS  80          1HG       LYS  80 -11.211  10.051   1.115
  568   2HG   LYS  80          2HG       LYS  80 -12.552   9.529   2.136
  569   1HD   LYS  80          1HD       LYS  80 -12.599  12.408   1.735
  570   2HD   LYS  80          2HD       LYS  80 -12.625  11.550   0.193
  571   1HE   LYS  80          1HE       LYS  80 -14.364  10.202   2.043
  572   2HE   LYS  80          2HE       LYS  80 -14.777  11.915   2.009
  573   1HZ   LYS  80          3HZ       LYS  80 -14.257  10.640  -0.557
  574   2HZ   LYS  80          2HZ       LYS  80 -15.691  10.191   0.235
  575   3HZ   LYS  80          1HZ       LYS  80 -15.401  11.821  -0.145
  576    H    GLU  81           H        GLU  81  -8.167  11.525   4.697
  577    HA   GLU  81           HA       GLU  81  -8.707  14.466   4.844
  578   1HB   GLU  81          1HB       GLU  81  -7.656  14.411   7.050
  579   2HB   GLU  81          2HB       GLU  81  -8.903  13.167   6.964
  580   1HG   GLU  81          1HG       GLU  81  -7.167  11.489   6.439
  581   2HG   GLU  81          2HG       GLU  81  -5.928  12.731   6.594
  582    H    GLY  82           H        GLY  82  -6.116  12.101   4.580
  583   1HA   GLY  82          1HA       GLY  82  -3.941  13.951   4.359
  584   2HA   GLY  82          2HA       GLY  82  -3.944  12.305   3.706
  585    H    VAL  83           H        VAL  83  -6.221  12.569   2.047
  586    HA   VAL  83           HA       VAL  83  -5.043  13.647  -0.335
  587    HB   VAL  83           HB       VAL  83  -7.922  12.934   0.304
  588   1HG1  VAL  83          2HG1      VAL  83  -6.608  13.997  -2.121
  589   2HG1  VAL  83          1HG1      VAL  83  -7.615  12.573  -2.385
  590   3HG1  VAL  83          3HG1      VAL  83  -8.310  14.022  -1.658
  591   1HG2  VAL  83          1HG2      VAL  83  -5.779  11.270   0.251
  592   2HG2  VAL  83          3HG2      VAL  83  -7.405  10.779  -0.227
  593   3HG2  VAL  83          2HG2      VAL  83  -6.232  11.254  -1.455
  594    H    ALA  84           H        ALA  84  -7.483  14.937   1.912
  595    HA   ALA  84           HA       ALA  84  -7.700  17.406   0.301
  596   1HB   ALA  84          2HB       ALA  84  -9.606  16.113   1.576
  597   2HB   ALA  84          1HB       ALA  84  -9.029  17.043   2.958
  598   3HB   ALA  84          3HB       ALA  84  -9.618  17.875   1.519
  599    H    SER  85           H        SER  85  -5.545  16.358   2.591
  600    HA   SER  85           HA       SER  85  -5.292  19.082   3.792
  601   1HB   SER  85          1HB       SER  85  -5.527  16.939   5.253
  602   2HB   SER  85          2HB       SER  85  -3.850  16.639   4.803
  603    HG   SER  85           HG       SER  85  -4.003  17.864   6.722
  604    H    GLY  86           H        GLY  86  -3.775  16.802   1.685
  605   1HA   GLY  86          1HA       GLY  86  -1.909  17.173   0.278
  606   2HA   GLY  86          2HA       GLY  86  -1.672  18.736   1.070
  607    H    ASN  87           H        ASN  87  -2.011  16.121   3.259
  608    HA   ASN  87           HA       ASN  87   0.915  15.655   3.385
  609   1HB   ASN  87          1HB       ASN  87  -0.724  16.574   5.769
  610   2HB   ASN  87          2HB       ASN  87   0.995  16.178   5.774
  611   1HD2  ASN  87          2HD2      ASN  87   0.115  19.926   5.084
  612   2HD2  ASN  87          1HD2      ASN  87  -0.755  18.832   6.047
  613    H    LEU  88           H        LEU  88  -0.569  13.705   2.469
  614    HA   LEU  88           HA       LEU  88  -1.943  12.098   4.421
  615   1HB   LEU  88          1HB       LEU  88  -1.808  12.035   1.721
  616   2HB   LEU  88          2HB       LEU  88  -0.664  10.747   2.103
  617    HG   LEU  88           HG       LEU  88  -2.976  10.507   3.803
  618   1HD1  LEU  88          1HD1      LEU  88  -3.608  11.536   1.235
  619   2HD1  LEU  88          3HD1      LEU  88  -4.033   9.825   1.214
  620   3HD1  LEU  88          2HD1      LEU  88  -4.723  10.889   2.438
  621   1HD2  LEU  88          2HD2      LEU  88  -1.187   8.821   2.879
  622   2HD2  LEU  88          1HD2      LEU  88  -2.839   8.265   3.147
  623   3HD2  LEU  88          3HD2      LEU  88  -2.298   8.674   1.519
  624    H    ASN  89           H        ASN  89  -0.926  11.218   6.145
  625    HA   ASN  89           HA       ASN  89   1.395   9.493   5.755
  626   1HB   ASN  89          1HB       ASN  89   2.693  10.780   7.593
  627   2HB   ASN  89          2HB       ASN  89   2.718  11.447   5.961
  628   1HD2  ASN  89          2HD2      ASN  89   1.718  14.496   7.475
  629   2HD2  ASN  89          1HD2      ASN  89   2.965  13.668   6.674
  630    H    THR  90           H        THR  90  -0.368   8.086   6.593
  631    HA   THR  90           HA       THR  90  -0.660   8.384   9.561
  632    HB   THR  90           HB       THR  90  -2.815   8.721   8.490
  633    HG1  THR  90           HG1      THR  90  -2.766   6.047   9.401
  634   1HG2  THR  90          2HG2      THR  90  -1.812   6.625   6.745
  635   2HG2  THR  90          1HG2      THR  90  -3.436   6.254   7.323
  636   3HG2  THR  90          3HG2      THR  90  -3.126   7.768   6.473
  637    H    MET  91           H        MET  91  -1.092   6.226  10.649
  638    HA   MET  91           HA       MET  91  -0.050   3.844   9.271
  639   1HB   MET  91          1HB       MET  91   1.913   5.278  10.241
  640   2HB   MET  91          2HB       MET  91   1.353   4.678  11.803
  641   1HG   MET  91          2HG       MET  91   1.425   2.334  10.675
  642   2HG   MET  91          1HG       MET  91   2.446   3.117   9.468
  643   1HE   MET  91          1HE       MET  91   3.279   0.734  10.932
  644   2HE   MET  91          3HE       MET  91   4.355   0.891  12.328
  645   3HE   MET  91          2HE       MET  91   2.609   1.011  12.539
  646    H    PHE  92           H        PHE  92  -0.462   1.904  10.522
  647    HA   PHE  92           HA       PHE  92  -1.551   1.924  13.161
  648   1HB   PHE  92          1HB       PHE  92  -3.942   1.312  12.472
  649   2HB   PHE  92          2HB       PHE  92  -3.499   3.013  12.348
  650    HD1  PHE  92           HD2      PHE  92  -3.134   4.067  10.180
  651    HD2  PHE  92           HD1      PHE  92  -4.246  -0.062  10.463
  652    HE1  PHE  92           HE2      PHE  92  -3.702   4.055   7.771
  653    HE2  PHE  92           HE1      PHE  92  -4.817  -0.079   8.051
  654    HZ   PHE  92           HZ       PHE  92  -4.540   1.975   6.701
  655    H    GLU  93           H        GLU  93  -2.898  -0.260  13.470
  656    HA   GLU  93           HA       GLU  93  -1.351  -2.349  12.001
  657   1HB   GLU  93          1HB       GLU  93  -1.835  -1.997  14.736
  658   2HB   GLU  93          2HB       GLU  93  -2.942  -3.287  14.264
  659   1HG   GLU  93          1HG       GLU  93  -0.748  -4.121  12.951
  660   2HG   GLU  93          2HG       GLU  93   0.034  -3.253  14.273
  661    H    TYR  94           H        TYR  94  -2.591  -2.740  10.188
  662    HA   TYR  94           HA       TYR  94  -5.513  -3.142  10.575
  663   1HB   TYR  94          1HB       TYR  94  -4.064  -1.832   8.599
  664   2HB   TYR  94          2HB       TYR  94  -4.511  -3.360   7.841
  665    HD1  TYR  94           HD1      TYR  94  -6.066  -0.786  10.098
  666    HD2  TYR  94           HD2      TYR  94  -6.550  -3.424   6.743
  667    HE1  TYR  94           HE1      TYR  94  -8.380   0.046   9.777
  668    HE2  TYR  94           HE2      TYR  94  -8.860  -2.589   6.423
  669    HH   TYR  94           HH       TYR  94 -10.103   0.140   8.238
  670    H    THR  95           H        THR  95  -6.523  -5.049   9.787
  671    HA   THR  95           HA       THR  95  -4.657  -7.355   9.403
  672    HB   THR  95           HB       THR  95  -7.395  -7.319  10.716
  673    HG1  THR  95           HG1      THR  95  -6.315  -7.082  12.485
  674   1HG2  THR  95          3HG2      THR  95  -5.432  -9.544  10.123
  675   2HG2  THR  95          2HG2      THR  95  -6.744  -9.703  11.291
  676   3HG2  THR  95          1HG2      THR  95  -7.108  -9.417   9.589
  677    H    PHE  96           H        PHE  96  -4.746  -7.865   7.262
  678    HA   PHE  96           HA       PHE  96  -7.122  -7.271   5.665
  679   1HB   PHE  96          1HB       PHE  96  -4.553  -8.739   5.003
  680   2HB   PHE  96          2HB       PHE  96  -5.819  -8.397   3.831
  681    HD1  PHE  96           HD1      PHE  96  -6.168  -5.612   5.741
  682    HD2  PHE  96           HD2      PHE  96  -3.197  -7.417   3.206
  683    HE1  PHE  96           HE1      PHE  96  -5.171  -3.385   5.319
  684    HE2  PHE  96           HE2      PHE  96  -2.202  -5.184   2.792
  685    HZ   PHE  96           HZ       PHE  96  -3.187  -3.166   3.846
  686    H    ASP  97           H        ASP  97  -8.864  -8.561   5.731
  687    HA   ASP  97           HA       ASP  97  -8.467 -11.512   5.749
  688   1HB   ASP  97          1HB       ASP  97  -9.170 -10.314   8.042
  689   2HB   ASP  97          2HB       ASP  97 -10.766 -10.386   7.293
  690    H    TYR  98           H        TYR  98  -8.943  -9.995   3.509
  691    HA   TYR  98           HA       TYR  98 -11.818  -9.906   2.978
  692   1HB   TYR  98          1HB       TYR  98 -11.286  -8.728   1.032
  693   2HB   TYR  98          2HB       TYR  98  -9.973  -8.286   2.109
  694    HD1  TYR  98           HD1      TYR  98  -8.170 -10.627   2.005
  695    HD2  TYR  98           HD2      TYR  98 -10.443  -8.752  -1.116
  696    HE1  TYR  98           HE1      TYR  98  -6.528 -11.449   0.324
  697    HE2  TYR  98           HE2      TYR  98  -8.838  -9.604  -2.795
  698    HH   TYR  98           HH       TYR  98  -7.191 -11.600  -2.911
  699    H    GLN  99           H        GLN  99 -11.081 -12.479   3.570
  700    HA   GLN  99           HA       GLN  99 -11.977 -14.530   2.738
  701   1HB   GLN  99          1HB       GLN  99 -12.546 -14.910   0.537
  702   2HB   GLN  99          2HB       GLN  99 -12.604 -13.156   0.548
  703   1HG   GLN  99          1HG       GLN  99 -10.101 -13.291  -0.199
  704   2HG   GLN  99          2HG       GLN  99 -10.478 -14.964  -0.603
  705   1HE2  GLN  99          2HE2      GLN  99 -12.738 -12.192  -2.638
  706   2HE2  GLN  99          1HE2      GLN  99 -12.502 -11.990  -0.971
  707    H    MET 100           H        MET 100  -9.323 -13.645   3.602
  708    HA   MET 100           HA       MET 100  -7.823 -15.994   2.573
  709   1HB   MET 100          1HB       MET 100  -7.139 -13.650   1.547
  710   2HB   MET 100          2HB       MET 100  -6.338 -13.439   3.105
  711   1HG   MET 100          2HG       MET 100  -5.778 -16.083   2.142
  712   2HG   MET 100          1HG       MET 100  -5.426 -14.934   0.853
  713   1HE   MET 100          2HE       MET 100  -4.853 -12.617   1.662
  714   2HE   MET 100          1HE       MET 100  -4.367 -12.271   3.320
  715   3HE   MET 100          3HE       MET 100  -3.144 -12.461   2.056
  716    H    THR 101           H        THR 101  -5.788 -16.243   4.138
  717    HA   THR 101           HA       THR 101  -6.756 -16.698   6.744
  718    HB   THR 101           HB       THR 101  -4.284 -16.724   7.387
  719    HG1  THR 101           HG1      THR 101  -2.928 -15.907   6.032
  720   1HG2  THR 101          3HG2      THR 101  -5.230 -18.274   4.964
  721   2HG2  THR 101          2HG2      THR 101  -3.789 -18.676   5.897
  722   3HG2  THR 101          1HG2      THR 101  -5.380 -18.758   6.652
  723    HA   PRO 102           HA       PRO 102  -6.660 -12.745   8.657
  724   1HB   PRO 102          1HB       PRO 102  -5.948 -13.395  11.235
  725   2HB   PRO 102          2HB       PRO 102  -7.557 -13.698  10.555
  726   1HG   PRO 102          1HG       PRO 102  -5.352 -15.634  11.098
  727   2HG   PRO 102          2HG       PRO 102  -7.101 -15.909  11.052
  728   1HD   PRO 102          1HD       PRO 102  -5.277 -16.575   9.007
  729   2HD   PRO 102          2HD       PRO 102  -7.043 -16.500   8.836
  730    H    THR 103           H        THR 103  -4.892 -11.698   7.640
  731    HA   THR 103           HA       THR 103  -2.209 -12.118   8.862
  732    HB   THR 103           HB       THR 103  -3.178 -11.307   6.159
  733    HG1  THR 103           HG1      THR 103  -2.033 -12.994   5.769
  734   1HG2  THR 103          1HG2      THR 103  -0.852  -9.972   7.524
  735   2HG2  THR 103          3HG2      THR 103  -0.709 -10.380   5.814
  736   3HG2  THR 103          2HG2      THR 103  -1.993  -9.303   6.359
  737    H    LYS 104           H        LYS 104  -1.460 -10.602  10.232
  738    HA   LYS 104           HA       LYS 104  -2.874  -7.995  10.407
  739   1HB   LYS 104          1HB       LYS 104  -0.426  -8.421  12.043
  740   2HB   LYS 104          2HB       LYS 104  -1.985  -7.768  12.527
  741   1HG   LYS 104          1HG       LYS 104  -1.334 -10.704  12.131
  742   2HG   LYS 104          2HG       LYS 104  -1.545  -9.889  13.679
  743   1HD   LYS 104          1HD       LYS 104  -3.809  -9.368  11.946
  744   2HD   LYS 104          2HD       LYS 104  -3.558 -11.105  12.131
  745   1HE   LYS 104          1HE       LYS 104  -4.928 -10.552  13.971
  746   2HE   LYS 104          2HE       LYS 104  -3.306 -10.585  14.662
  747   1HZ   LYS 104          3HZ       LYS 104  -4.567  -8.111  13.626
  748   2HZ   LYS 104          2HZ       LYS 104  -4.692  -8.601  15.248
  749   3HZ   LYS 104          1HZ       LYS 104  -3.172  -8.246  14.581
  750    H    VAL 105           H        VAL 105  -1.424  -6.004  10.217
  751    HA   VAL 105           HA       VAL 105   1.188  -6.495   8.931
  752    HB   VAL 105           HB       VAL 105   0.576  -5.215   6.880
  753   1HG1  VAL 105          1HG1      VAL 105   0.449  -7.733   6.992
  754   2HG1  VAL 105          3HG1      VAL 105  -1.276  -7.576   7.320
  755   3HG1  VAL 105          2HG1      VAL 105  -0.616  -7.017   5.782
  756   1HG2  VAL 105          1HG2      VAL 105  -1.715  -4.556   8.388
  757   2HG2  VAL 105          3HG2      VAL 105  -1.357  -4.092   6.725
  758   3HG2  VAL 105          2HG2      VAL 105  -2.286  -5.553   7.051
  759    H    LYS 106           H        LYS 106   2.511  -4.764   9.049
  760    HA   LYS 106           HA       LYS 106   1.678  -2.460  10.693
  761   1HB   LYS 106          1HB       LYS 106   4.156  -3.718   9.952
  762   2HB   LYS 106          2HB       LYS 106   4.208  -2.062   9.362
  763   1HG   LYS 106          1HG       LYS 106   4.697  -1.375  11.441
  764   2HG   LYS 106          2HG       LYS 106   3.146  -2.006  12.005
  765   1HD   LYS 106          1HD       LYS 106   4.158  -4.260  12.239
  766   2HD   LYS 106          2HD       LYS 106   5.710  -3.607  11.714
  767   1HE   LYS 106          1HE       LYS 106   5.936  -3.503  14.035
  768   2HE   LYS 106          2HE       LYS 106   5.326  -1.889  13.674
  769   1HZ   LYS 106          3HZ       LYS 106   3.038  -3.116  13.950
  770   2HZ   LYS 106          2HZ       LYS 106   3.966  -4.156  14.922
  771   3HZ   LYS 106          1HZ       LYS 106   3.874  -2.501  15.291
  772    H    VAL 107           H        VAL 107   0.251  -1.186   9.417
  773    HA   VAL 107           HA       VAL 107   0.884  -0.937   6.532
  774    HB   VAL 107           HB       VAL 107  -1.327   0.206   6.423
  775   1HG1  VAL 107          3HG1      VAL 107  -1.332  -2.334   8.033
  776   2HG1  VAL 107          2HG1      VAL 107  -2.730  -1.657   7.197
  777   3HG1  VAL 107          1HG1      VAL 107  -1.330  -2.202   6.274
  778   1HG2  VAL 107          1HG2      VAL 107  -0.752   0.611   9.177
  779   2HG2  VAL 107          3HG2      VAL 107  -2.106   1.236   8.252
  780   3HG2  VAL 107          2HG2      VAL 107  -2.240  -0.321   9.069
  781    H    HIS 108           H        HIS 108   1.155   1.108   5.514
  782    HA   HIS 108           HA       HIS 108   1.329   3.526   7.182
  783   1HB   HIS 108          1HB       HIS 108   3.613   2.205   7.225
  784   2HB   HIS 108          2HB       HIS 108   3.802   2.881   5.606
  785    HD1  HIS 108           HD1      HIS 108   5.556   3.801   8.064
  786    HD2  HIS 108           HD2      HIS 108   2.150   5.770   6.688
  787    HE1  HIS 108           HE1      HIS 108   5.744   6.197   8.863
  788    H    MET 109           H        MET 109  -0.069   4.641   5.854
  789    HA   MET 109           HA       MET 109   0.463   4.524   2.925
  790   1HB   MET 109          1HB       MET 109  -1.939   5.918   4.038
  791   2HB   MET 109          2HB       MET 109  -1.779   5.005   2.545
  792   1HG   MET 109          2HG       MET 109  -2.426   3.061   3.544
  793   2HG   MET 109          1HG       MET 109  -1.431   3.335   4.966
  794   1HE   MET 109          3HE       MET 109  -4.518   3.471   3.159
  795   2HE   MET 109          2HE       MET 109  -5.775   4.113   4.214
  796   3HE   MET 109          1HE       MET 109  -4.741   5.219   3.314
  797    H    LYS 110           H        LYS 110   1.286   6.392   1.854
  798    HA   LYS 110           HA       LYS 110   1.102   8.914   3.485
  799   1HB   LYS 110          1HB       LYS 110   3.423   7.523   3.150
  800   2HB   LYS 110          2HB       LYS 110   3.501   8.628   1.781
  801   1HG   LYS 110          1HG       LYS 110   3.118  10.533   3.334
  802   2HG   LYS 110          2HG       LYS 110   3.093   9.406   4.688
  803   1HD   LYS 110          1HD       LYS 110   5.433   8.726   3.390
  804   2HD   LYS 110          2HD       LYS 110   5.381  10.478   3.192
  805   1HE   LYS 110          1HE       LYS 110   5.188  10.816   5.570
  806   2HE   LYS 110          2HE       LYS 110   4.959   9.090   5.851
  807   1HZ   LYS 110          2HZ       LYS 110   7.384   9.993   4.468
  808   2HZ   LYS 110          1HZ       LYS 110   7.289  10.181   6.154
  809   3HZ   LYS 110          3HZ       LYS 110   7.150   8.638   5.465
  810    H    LYS 111           H        LYS 111   2.058  10.766   1.791
  811    HA   LYS 111           HA       LYS 111   0.225  10.541  -0.539
  812   1HB   LYS 111          1HB       LYS 111  -0.156  12.515   0.810
  813   2HB   LYS 111          2HB       LYS 111   1.559  12.924   0.784
  814   1HG   LYS 111          1HG       LYS 111   1.491  13.656  -1.421
  815   2HG   LYS 111          2HG       LYS 111   0.105  12.641  -1.824
  816   1HD   LYS 111          1HD       LYS 111  -1.155  14.162  -0.087
  817   2HD   LYS 111          2HD       LYS 111   0.163  15.290  -0.407
  818   1HE   LYS 111          1HE       LYS 111  -0.647  14.329  -2.932
  819   2HE   LYS 111          2HE       LYS 111  -2.135  14.676  -2.051
  820   1HZ   LYS 111          1HZ       LYS 111  -0.998  16.848  -1.430
  821   2HZ   LYS 111          3HZ       LYS 111   0.099  16.505  -2.678
  822   3HZ   LYS 111          2HZ       LYS 111  -1.552  16.689  -3.028
  823    H    ALA 112           H        ALA 112   1.368   9.537  -2.156
  824    HA   ALA 112           HA       ALA 112   4.151   9.642  -2.590
  825   1HB   ALA 112          2HB       ALA 112   1.991   8.427  -3.810
  826   2HB   ALA 112          1HB       ALA 112   2.597   9.510  -5.062
  827   3HB   ALA 112          3HB       ALA 112   3.669   8.310  -4.339
  828    H    LEU 113           H        LEU 113   5.482  11.020  -3.770
  829    HA   LEU 113           HA       LEU 113   4.317  13.673  -4.404
  830   1HB   LEU 113          1HB       LEU 113   6.532  13.148  -3.036
  831   2HB   LEU 113          2HB       LEU 113   7.241  13.089  -4.651
  832    HG   LEU 113           HG       LEU 113   5.594  15.351  -4.694
  833   1HD1  LEU 113          1HD1      LEU 113   6.064  14.769  -2.012
  834   2HD1  LEU 113          3HD1      LEU 113   7.295  15.971  -2.402
  835   3HD1  LEU 113          2HD1      LEU 113   5.590  16.340  -2.662
  836   1HD2  LEU 113          3HD2      LEU 113   8.374  14.629  -4.962
  837   2HD2  LEU 113          2HD2      LEU 113   7.516  15.989  -5.686
  838   3HD2  LEU 113          1HD2      LEU 113   8.247  16.157  -4.090
  839    H    SER 114           H        SER 114   4.803  10.847  -6.070
  840    HA   SER 114           HA       SER 114   6.135  11.645  -8.441
  841   1HB   SER 114          1HB       SER 114   5.224   9.705  -9.435
  842   2HB   SER 114          2HB       SER 114   5.304   9.297  -7.724
  843    HG   SER 114           HG       SER 114   3.251   8.902  -8.006
  844    H    GLY 115           H        GLY 115   3.016  12.500  -7.206
  845   1HA   GLY 115          1HA       GLY 115   2.516  14.625  -8.913
  846   2HA   GLY 115          2HA       GLY 115   1.832  13.233  -9.757
  847    H    ASP 116           H        ASP 116   1.921  14.234  -6.315
  848    HA   ASP 116           HA       ASP 116   0.183  14.348  -4.739
  849   1HB   ASP 116          1HB       ASP 116  -0.986  15.351  -7.290
  850   2HB   ASP 116          2HB       ASP 116  -2.123  14.931  -6.006
  851    H    SER 117           H        SER 117   0.705  11.832  -5.001
  852    HA   SER 117           HA       SER 117  -1.822  10.455  -5.799
  853   1HB   SER 117          1HB       SER 117   0.708   8.945  -5.298
  854   2HB   SER 117          2HB       SER 117  -0.592   8.606  -6.435
  855    HG   SER 117           HG       SER 117   1.404  10.618  -6.602
  856    H    TYR 118           H        TYR 118  -1.329   8.060  -4.418
  857    HA   TYR 118           HA       TYR 118  -1.034   8.717  -1.547
  858   1HB   TYR 118          1HB       TYR 118  -3.572   7.392  -2.534
  859   2HB   TYR 118          2HB       TYR 118  -3.275   8.071  -0.931
  860    HD1  TYR 118           HD2      TYR 118  -2.936  10.603  -0.751
  861    HD2  TYR 118           HD1      TYR 118  -4.447   8.650  -4.267
  862    HE1  TYR 118           HE2      TYR 118  -3.855  12.753  -1.560
  863    HE2  TYR 118           HE1      TYR 118  -5.364  10.784  -5.065
  864    HH   TYR 118           HH       TYR 118  -4.448  13.711  -3.986
  865    H    TRP 119           H        TRP 119   0.428   7.070  -1.027
  866    HA   TRP 119           HA       TRP 119  -0.172   4.425  -2.196
  867   1HB   TRP 119          1HB       TRP 119   2.217   3.885  -1.907
  868   2HB   TRP 119          2HB       TRP 119   1.882   5.146  -3.076
  869    HD1  TRP 119           HD1      TRP 119   3.158   7.308  -2.762
  870    HE1  TRP 119           HE1      TRP 119   4.756   8.252  -0.993
  871    HE3  TRP 119           HE3      TRP 119   2.457   3.864   0.732
  872    HZ2  TRP 119           HZ2      TRP 119   5.670   7.529   1.653
  873    HZ3  TRP 119           HZ3      TRP 119   3.712   3.918   2.906
  874    HH2  TRP 119           HH2      TRP 119   5.307   5.758   3.359
  875    H    VAL 120           H        VAL 120   0.023   2.550  -1.048
  876    HA   VAL 120           HA       VAL 120   0.024   2.894   1.916
  877    HB   VAL 120           HB       VAL 120  -1.752   1.024   0.303
  878   1HG1  VAL 120          3HG1      VAL 120  -1.191   1.466   3.203
  879   2HG1  VAL 120          2HG1      VAL 120  -2.856   1.118   2.735
  880   3HG1  VAL 120          1HG1      VAL 120  -1.572  -0.026   2.345
  881   1HG2  VAL 120          2HG2      VAL 120  -2.024   3.829   1.013
  882   2HG2  VAL 120          1HG2      VAL 120  -3.091   2.823   0.035
  883   3HG2  VAL 120          3HG2      VAL 120  -3.283   2.868   1.787
  884    H    PHE 121           H        PHE 121   1.935   1.928   2.476
  885    HA   PHE 121           HA       PHE 121   2.773  -0.550   1.101
  886   1HB   PHE 121          1HB       PHE 121   4.189   0.925   3.353
  887   2HB   PHE 121          2HB       PHE 121   4.869  -0.318   2.309
  888    HD1  PHE 121           HD1      PHE 121   3.093   1.088  -0.092
  889    HD2  PHE 121           HD2      PHE 121   6.194   2.280   2.618
  890    HE1  PHE 121           HE1      PHE 121   3.802   2.845  -1.685
  891    HE2  PHE 121           HE2      PHE 121   6.870   4.074   1.046
  892    HZ   PHE 121           HZ       PHE 121   5.685   4.337  -1.114
  893    H    VAL 122           H        VAL 122   2.353  -2.517   1.976
  894    HA   VAL 122           HA       VAL 122   1.337  -2.511   4.764
  895    HB   VAL 122           HB       VAL 122   0.637  -4.066   2.317
  896   1HG1  VAL 122          2HG1      VAL 122   1.005  -5.355   4.993
  897   2HG1  VAL 122          1HG1      VAL 122  -0.429  -5.786   4.061
  898   3HG1  VAL 122          3HG1      VAL 122   1.177  -6.051   3.383
  899   1HG2  VAL 122          2HG2      VAL 122  -0.606  -2.307   4.029
  900   2HG2  VAL 122          1HG2      VAL 122  -1.433  -3.368   2.888
  901   3HG2  VAL 122          3HG2      VAL 122  -1.230  -3.867   4.567
  902    H    LYS 123           H        LYS 123   2.446  -3.462   6.257
  903    HA   LYS 123           HA       LYS 123   4.932  -4.929   5.532
  904   1HB   LYS 123          1HB       LYS 123   4.486  -2.869   7.316
  905   2HB   LYS 123          2HB       LYS 123   4.380  -4.297   8.343
  906   1HG   LYS 123          1HG       LYS 123   6.613  -4.459   8.383
  907   2HG   LYS 123          2HG       LYS 123   6.641  -4.626   6.632
  908   1HD   LYS 123          1HD       LYS 123   6.310  -2.052   6.613
  909   2HD   LYS 123          2HD       LYS 123   6.841  -2.123   8.291
  910   1HE   LYS 123          1HE       LYS 123   8.381  -2.810   5.798
  911   2HE   LYS 123          2HE       LYS 123   8.841  -1.737   7.114
  912   1HZ   LYS 123          2HZ       LYS 123   8.605  -3.986   8.460
  913   2HZ   LYS 123          1HZ       LYS 123   9.000  -4.647   6.946
  914   3HZ   LYS 123          3HZ       LYS 123  10.052  -3.544   7.687
  915    H    ARG 124           H        ARG 124   5.337  -7.002   6.625
  916    HA   ARG 124           HA       ARG 124   2.747  -8.263   7.411
  917   1HB   ARG 124          1HB       ARG 124   3.848  -9.437   5.592
  918   2HB   ARG 124          2HB       ARG 124   5.361  -9.514   6.493
  919   1HG   ARG 124          1HG       ARG 124   4.674 -11.302   7.715
  920   2HG   ARG 124          2HG       ARG 124   3.061 -10.628   7.950
  921   1HD   ARG 124          1HD       ARG 124   2.533 -11.247   5.568
  922   2HD   ARG 124          2HD       ARG 124   4.087 -12.078   5.495
  923    HE   ARG 124           HE       ARG 124   1.792 -12.896   7.213
  924   1HH1  ARG 124          2HH1      ARG 124   5.087 -13.272   7.229
  925   2HH1  ARG 124          1HH1      ARG 124   5.090 -14.994   7.047
  926   1HH2  ARG 124          1HH2      ARG 124   1.693 -15.193   6.371
  927   2HH2  ARG 124          2HH2      ARG 124   3.166 -16.083   6.562
  928    H    VAL 125           H        VAL 125   2.390  -8.785   9.454
  929    HA   VAL 125           HA       VAL 125   4.628  -8.496  11.399
  930    HB   VAL 125           HB       VAL 125   1.909  -8.775  12.502
  931   1HG1  VAL 125          1HG1      VAL 125   3.899  -8.035  13.760
  932   2HG1  VAL 125          3HG1      VAL 125   4.016  -6.622  12.713
  933   3HG1  VAL 125          2HG1      VAL 125   2.621  -6.821  13.772
  934   1HG2  VAL 125          2HG2      VAL 125   1.358  -7.563  10.424
  935   2HG2  VAL 125          1HG2      VAL 125   1.150  -6.535  11.831
  936   3HG2  VAL 125          3HG2      VAL 125   2.570  -6.351  10.801
  937    H2   HC4  69           H2       HC4  69  -7.130  -4.735   2.746
  938    H3   HC4  69           H3       HC4  69  -8.325  -7.302   1.611
  939    H2'  HC4  69           H2'      HC4  69  -6.810  -8.448   0.044
  940    H3'  HC4  69           H3'      HC4  69  -4.652  -8.605  -1.174
  941    H5'  HC4  69           H5'      HC4  69  -3.372  -4.873   0.568
  942    H6'  HC4  69           H6'      HC4  69  -5.524  -4.722   1.772
   
  No H/Q in entry =         942
  Start of MODEL    5
    1   1H    MET   1           H3       MET   1   8.606  13.032  11.214
    2   2H    MET   1           H2       MET   1   6.929  12.797  11.080
    3   3H    MET   1           H1       MET   1   7.918  11.550  11.673
    4    HA   MET   1           HA       MET   1   7.408  10.965   9.462
    5   1HB   MET   1          1HB       MET   1   7.924  12.593   7.612
    6   2HB   MET   1          2HB       MET   1   6.605  13.107   8.664
    7   1HG   MET   1          2HG       MET   1   9.336  13.956   9.473
    8   2HG   MET   1          1HG       MET   1   8.677  14.721   8.026
    9   1HE   MET   1          1HE       MET   1   7.355  16.220   7.777
   10   2HE   MET   1          3HE       MET   1   5.723  15.924   8.388
   11   3HE   MET   1          2HE       MET   1   6.644  17.309   8.965
   12    H    GLU   2           H        GLU   2   9.473  10.220  10.986
   13    HA   GLU   2           HA       GLU   2  11.814  10.455   9.146
   14   1HB   GLU   2          1HB       GLU   2  11.790  10.646  12.168
   15   2HB   GLU   2          2HB       GLU   2  13.255  10.318  11.242
   16   1HG   GLU   2          1HG       GLU   2  13.058  12.415  10.057
   17   2HG   GLU   2          2HG       GLU   2  11.472  12.721  10.766
   18    H    HIS   3           H        HIS   3  13.492   8.639   9.967
   19    HA   HIS   3           HA       HIS   3  13.898   6.337  10.154
   20   1HB   HIS   3          1HB       HIS   3  12.491   6.878  12.321
   21   2HB   HIS   3          2HB       HIS   3  11.232   5.970  11.484
   22    HD1  HIS   3           HD1      HIS   3  11.452   3.985  13.180
   23    HD2  HIS   3           HD2      HIS   3  14.933   4.785  11.030
   24    HE1  HIS   3           HE1      HIS   3  12.987   2.003  13.541
   25    H    VAL   4           H        VAL   4  12.366   7.472   7.881
   26    HA   VAL   4           HA       VAL   4  10.982   6.827   6.121
   27    HB   VAL   4           HB       VAL   4  13.186   5.323   6.188
   28   1HG1  VAL   4          2HG1      VAL   4  11.526   3.567   7.500
   29   2HG1  VAL   4          1HG1      VAL   4  11.369   3.026   5.831
   30   3HG1  VAL   4          3HG1      VAL   4  12.958   3.100   6.590
   31   1HG2  VAL   4          3HG2      VAL   4  10.931   5.640   4.386
   32   2HG2  VAL   4          2HG2      VAL   4  12.655   5.566   4.019
   33   3HG2  VAL   4          1HG2      VAL   4  11.719   4.078   4.158
   34    H    ALA   5           H        ALA   5   9.804   4.344   5.569
   35    HA   ALA   5           HA       ALA   5   7.353   4.539   7.022
   36   1HB   ALA   5          1HB       ALA   5   7.937   3.464   4.675
   37   2HB   ALA   5          3HB       ALA   5   8.177   2.004   5.635
   38   3HB   ALA   5          2HB       ALA   5   6.610   2.809   5.634
   39    H    PHE   6           H        PHE   6   7.137   1.518   7.352
   40    HA   PHE   6           HA       PHE   6   8.178   1.421  10.109
   41   1HB   PHE   6          1HB       PHE   6   7.073  -0.993   9.884
   42   2HB   PHE   6          2HB       PHE   6   6.092   0.437  10.176
   43    HD1  PHE   6           HD2      PHE   6   7.697  -1.023   7.070
   44    HD2  PHE   6           HD1      PHE   6   4.110   0.337   8.999
   45    HE1  PHE   6           HE2      PHE   6   6.415  -1.445   5.008
   46    HE2  PHE   6           HE1      PHE   6   2.851  -0.096   6.925
   47    HZ   PHE   6           HZ       PHE   6   3.997  -0.972   4.938
   48    H    GLY   7           H        GLY   7  10.262   1.491   8.282
   49   1HA   GLY   7          1HA       GLY   7  12.327   0.171   8.513
   50   2HA   GLY   7          2HA       GLY   7  11.327  -1.285   8.477
   51    H    SER   8           H        SER   8  10.346   1.206   6.321
   52    HA   SER   8           HA       SER   8  10.955  -0.477   4.023
   53   1HB   SER   8          1HB       SER   8   9.789   1.223   2.747
   54   2HB   SER   8          2HB       SER   8   8.870   0.910   4.194
   55    HG   SER   8           HG       SER   8   9.483   3.206   3.477
   56    H    GLU   9           H        GLU   9  12.130   0.497   2.100
   57    HA   GLU   9           HA       GLU   9  14.515   2.029   3.060
   58   1HB   GLU   9          1HB       GLU   9  14.137  -0.288   1.312
   59   2HB   GLU   9          2HB       GLU   9  15.133   0.963   0.568
   60   1HG   GLU   9          1HG       GLU   9  16.874   0.457   1.904
   61   2HG   GLU   9          2HG       GLU   9  15.872   0.633   3.345
   62    H    ASP  10           H        ASP  10  13.073   4.032   2.666
   63    HA   ASP  10           HA       ASP  10  12.373   5.819   1.280
   64   1HB   ASP  10          1HB       ASP  10  14.967   5.559   0.903
   65   2HB   ASP  10          2HB       ASP  10  14.486   4.948  -0.681
   66    H    ILE  11           H        ILE  11  10.356   4.735   0.723
   67    HA   ILE  11           HA       ILE  11  10.337   3.089  -1.698
   68    HB   ILE  11           HB       ILE  11   7.891   3.917  -0.287
   69   1HG1  ILE  11          1HG1      ILE  11   9.441   3.324   1.534
   70   2HG1  ILE  11          2HG1      ILE  11   8.225   2.064   1.337
   71   1HG2  ILE  11          3HG2      ILE  11   8.622   2.029  -2.252
   72   2HG2  ILE  11          2HG2      ILE  11   8.145   1.128  -0.816
   73   3HG2  ILE  11          1HG2      ILE  11   7.031   2.274  -1.545
   74   1HD1  ILE  11          1HD1      ILE  11  10.399   1.544  -0.459
   75   2HD1  ILE  11          3HD1      ILE  11  11.026   1.774   1.173
   76   3HD1  ILE  11          2HD1      ILE  11   9.788   0.564   0.867
   77    H    GLU  12           H        GLU  12   8.478   5.968  -0.641
   78    HA   GLU  12           HA       GLU  12   7.333   6.511  -3.105
   79   1HB   GLU  12          1HB       GLU  12   7.208   8.882  -2.416
   80   2HB   GLU  12          2HB       GLU  12   6.838   7.817  -1.061
   81   1HG   GLU  12          1HG       GLU  12   8.406   9.009   0.063
   82   2HG   GLU  12          2HG       GLU  12   9.573   8.067  -0.866
   83    H    ASN  13           H        ASN  13  10.700   6.827  -2.267
   84    HA   ASN  13           HA       ASN  13  11.259   8.420  -4.705
   85   1HB   ASN  13          1HB       ASN  13  12.436   8.490  -2.265
   86   2HB   ASN  13          2HB       ASN  13  13.496   7.342  -3.083
   87   1HD2  ASN  13          2HD2      ASN  13  14.886  10.677  -3.868
   88   2HD2  ASN  13          1HD2      ASN  13  14.743   9.684  -2.500
   89    H    THR  14           H        THR  14  11.766   5.166  -3.363
   90    HA   THR  14           HA       THR  14  13.379   4.223  -5.576
   91    HB   THR  14           HB       THR  14  11.942   2.982  -3.240
   92    HG1  THR  14           HG1      THR  14  14.073   2.033  -3.087
   93   1HG2  THR  14          1HG2      THR  14  11.308   1.522  -5.159
   94   2HG2  THR  14          3HG2      THR  14  13.016   1.336  -5.553
   95   3HG2  THR  14          2HG2      THR  14  12.391   0.711  -4.028
   96    H    LEU  15           H        LEU  15  10.039   3.563  -4.656
   97    HA   LEU  15           HA       LEU  15   8.970   2.258  -6.819
   98   1HB   LEU  15          1HB       LEU  15   7.572   4.651  -5.584
   99   2HB   LEU  15          2HB       LEU  15   6.822   3.240  -6.319
  100    HG   LEU  15           HG       LEU  15   8.557   3.039  -3.859
  101   1HD1  LEU  15          1HD1      LEU  15   5.987   4.251  -4.091
  102   2HD1  LEU  15          3HD1      LEU  15   5.822   2.730  -3.214
  103   3HD1  LEU  15          2HD1      LEU  15   6.942   3.964  -2.637
  104   1HD2  LEU  15          3HD2      LEU  15   7.077   1.205  -5.568
  105   2HD2  LEU  15          2HD2      LEU  15   8.252   0.843  -4.303
  106   3HD2  LEU  15          1HD2      LEU  15   6.557   1.099  -3.885
  107    H    ALA  16           H        ALA  16   9.814   5.688  -6.648
  108    HA   ALA  16           HA       ALA  16   8.612   6.416  -9.173
  109   1HB   ALA  16          3HB       ALA  16   9.539   7.878  -7.142
  110   2HB   ALA  16          2HB       ALA  16  10.999   7.882  -8.130
  111   3HB   ALA  16          1HB       ALA  16   9.489   8.518  -8.784
  112    H    LYS  17           H        LYS  17  12.049   5.906  -8.268
  113    HA   LYS  17           HA       LYS  17  12.497   4.892 -11.032
  114   1HB   LYS  17          1HB       LYS  17  13.153   7.380 -10.696
  115   2HB   LYS  17          2HB       LYS  17  14.483   6.747  -9.723
  116   1HG   LYS  17          1HG       LYS  17  15.627   6.418 -11.634
  117   2HG   LYS  17          2HG       LYS  17  14.451   5.171 -12.055
  118   1HD   LYS  17          1HD       LYS  17  12.988   7.172 -12.874
  119   2HD   LYS  17          2HD       LYS  17  14.508   8.066 -12.882
  120   1HE   LYS  17          1HE       LYS  17  15.479   6.175 -14.277
  121   2HE   LYS  17          2HE       LYS  17  13.835   5.558 -14.440
  122   1HZ   LYS  17          1HZ       LYS  17  13.396   8.044 -15.125
  123   2HZ   LYS  17          3HZ       LYS  17  15.034   7.981 -15.557
  124   3HZ   LYS  17          2HZ       LYS  17  13.930   6.895 -16.256
  125    H    MET  18           H        MET  18  12.608   2.794 -10.007
  126    HA   MET  18           HA       MET  18  15.023   2.432  -8.300
  127   1HB   MET  18          1HB       MET  18  13.974   0.741  -7.132
  128   2HB   MET  18          2HB       MET  18  12.575   1.718  -7.552
  129   1HG   MET  18          2HG       MET  18  13.515  -0.727  -9.089
  130   2HG   MET  18          1HG       MET  18  12.190  -0.703  -7.938
  131   1HE   MET  18          3HE       MET  18  10.575   0.951  -7.861
  132   2HE   MET  18          2HE       MET  18  10.504   2.318  -8.971
  133   3HE   MET  18          1HE       MET  18   9.403   0.960  -9.185
  134    H    ASP  19           H        ASP  19  15.568  -0.238  -8.683
  135    HA   ASP  19           HA       ASP  19  16.670  -0.181 -11.415
  136   1HB   ASP  19          1HB       ASP  19  17.155  -1.644  -8.907
  137   2HB   ASP  19          2HB       ASP  19  17.432  -2.569 -10.383
  138    H    ASP  20           H        ASP  20  13.738  -0.686 -10.953
  139    HA   ASP  20           HA       ASP  20  12.067  -2.042 -11.876
  140   1HB   ASP  20          1HB       ASP  20  13.517  -1.821 -13.911
  141   2HB   ASP  20          2HB       ASP  20  14.374  -3.280 -13.411
  142    H    GLY  21           H        GLY  21  11.484  -3.237 -10.070
  143   1HA   GLY  21          1HA       GLY  21  11.099  -5.581  -9.405
  144   2HA   GLY  21          2HA       GLY  21  12.772  -5.922  -9.845
  145    H    GLN  22           H        GLN  22  12.405  -2.924  -8.246
  146    HA   GLN  22           HA       GLN  22  13.562  -4.133  -5.785
  147   1HB   GLN  22          1HB       GLN  22  14.019  -1.682  -7.281
  148   2HB   GLN  22          2HB       GLN  22  13.677  -1.335  -5.586
  149   1HG   GLN  22          1HG       GLN  22  15.463  -2.735  -4.839
  150   2HG   GLN  22          2HG       GLN  22  15.665  -3.447  -6.440
  151   1HE2  GLN  22          2HE2      GLN  22  16.723   0.512  -6.356
  152   2HE2  GLN  22          1HE2      GLN  22  15.196   0.036  -5.790
  153    H    LEU  23           H        LEU  23  10.851  -2.262  -6.989
  154    HA   LEU  23           HA       LEU  23   9.867  -1.504  -4.366
  155   1HB   LEU  23          1HB       LEU  23   7.835  -0.823  -5.538
  156   2HB   LEU  23          2HB       LEU  23   9.245  -0.281  -6.446
  157    HG   LEU  23           HG       LEU  23   8.192  -2.975  -7.149
  158   1HD1  LEU  23          2HD1      LEU  23   6.757  -0.403  -7.873
  159   2HD1  LEU  23          1HD1      LEU  23   6.428  -1.985  -8.582
  160   3HD1  LEU  23          3HD1      LEU  23   6.108  -1.702  -6.871
  161   1HD2  LEU  23          2HD2      LEU  23   9.954  -1.043  -8.210
  162   2HD2  LEU  23          1HD2      LEU  23   9.452  -2.554  -8.969
  163   3HD2  LEU  23          3HD2      LEU  23   8.561  -1.067  -9.292
  164    H    ASP  24           H        ASP  24   9.744  -4.386  -6.251
  165    HA   ASP  24           HA       ASP  24   7.487  -5.443  -4.611
  166   1HB   ASP  24          1HB       ASP  24   7.670  -7.387  -6.262
  167   2HB   ASP  24          2HB       ASP  24   7.147  -5.846  -6.942
  168    H    GLY  25           H        GLY  25  10.806  -5.285  -4.413
  169   1HA   GLY  25          1HA       GLY  25  11.103  -8.058  -3.383
  170   2HA   GLY  25          2HA       GLY  25  12.433  -6.966  -3.766
  171    H    LEU  26           H        LEU  26   9.645  -5.888  -1.906
  172    HA   LEU  26           HA       LEU  26  11.469  -5.540   0.415
  173   1HB   LEU  26          1HB       LEU  26   8.758  -4.253   0.243
  174   2HB   LEU  26          2HB       LEU  26  10.210  -3.676   1.054
  175    HG   LEU  26           HG       LEU  26  10.108  -3.893  -1.957
  176   1HD1  LEU  26          1HD1      LEU  26   8.205  -2.469  -0.843
  177   2HD1  LEU  26          3HD1      LEU  26   9.511  -1.330  -0.513
  178   3HD1  LEU  26          2HD1      LEU  26   9.136  -1.784  -2.176
  179   1HD2  LEU  26          1HD2      LEU  26  11.873  -2.741   0.127
  180   2HD2  LEU  26          3HD2      LEU  26  12.279  -3.351  -1.476
  181   3HD2  LEU  26          2HD2      LEU  26  11.616  -1.728  -1.293
  182    H    ALA  27           H        ALA  27   9.900  -5.428   2.490
  183    HA   ALA  27           HA       ALA  27   8.580  -8.091   2.610
  184   1HB   ALA  27          1HB       ALA  27   9.431  -6.215   4.841
  185   2HB   ALA  27          3HB       ALA  27   8.738  -7.822   5.065
  186   3HB   ALA  27          2HB       ALA  27  10.320  -7.641   4.304
  187    H    PHE  28           H        PHE  28   7.682  -5.047   1.884
  188    HA   PHE  28           HA       PHE  28   4.981  -5.452   3.038
  189   1HB   PHE  28          1HB       PHE  28   4.912  -2.871   3.199
  190   2HB   PHE  28          2HB       PHE  28   5.801  -3.740   4.440
  191    HD1  PHE  28           HD2      PHE  28   8.268  -3.725   4.477
  192    HD2  PHE  28           HD1      PHE  28   6.070  -1.562   1.496
  193    HE1  PHE  28           HE2      PHE  28  10.320  -2.470   3.889
  194    HE2  PHE  28           HE1      PHE  28   8.122  -0.308   0.902
  195    HZ   PHE  28           HZ       PHE  28  10.257  -0.769   2.098
  196    H    GLY  29           H        GLY  29   3.433  -5.299   1.488
  197   1HA   GLY  29          1HA       GLY  29   4.120  -4.847  -1.261
  198   2HA   GLY  29          2HA       GLY  29   2.476  -4.893  -0.621
  199    H    ALA  30           H        ALA  30   4.527  -2.885  -2.214
  200    HA   ALA  30           HA       ALA  30   3.577  -0.467  -0.774
  201   1HB   ALA  30          2HB       ALA  30   5.894  -1.035  -2.571
  202   2HB   ALA  30          1HB       ALA  30   5.191   0.579  -2.649
  203   3HB   ALA  30          3HB       ALA  30   5.821  -0.034  -1.122
  204    H    ILE  31           H        ILE  31   1.459  -0.299  -1.497
  205    HA   ILE  31           HA       ILE  31   1.001  -0.462  -4.421
  206    HB   ILE  31           HB       ILE  31  -1.307  -0.765  -3.916
  207   1HG1  ILE  31          1HG1      ILE  31  -1.686  -0.603  -1.187
  208   2HG1  ILE  31          2HG1      ILE  31  -0.612   0.761  -1.494
  209   1HG2  ILE  31          2HG2      ILE  31   0.351  -2.060  -1.731
  210   2HG2  ILE  31          1HG2      ILE  31  -1.261  -2.582  -2.215
  211   3HG2  ILE  31          3HG2      ILE  31   0.087  -2.705  -3.349
  212   1HD1  ILE  31          2HD1      ILE  31  -2.874   0.389  -3.392
  213   2HD1  ILE  31          1HD1      ILE  31  -3.285   0.944  -1.770
  214   3HD1  ILE  31          3HD1      ILE  31  -2.169   1.879  -2.767
  215    H    GLN  32           H        GLN  32   0.021   1.225  -5.588
  216    HA   GLN  32           HA       GLN  32   0.167   3.904  -4.286
  217   1HB   GLN  32          1HB       GLN  32   0.651   3.026  -7.144
  218   2HB   GLN  32          2HB       GLN  32   0.417   4.715  -6.698
  219   1HG   GLN  32          1HG       GLN  32   2.349   3.382  -4.961
  220   2HG   GLN  32          2HG       GLN  32   2.837   3.331  -6.654
  221   1HE2  GLN  32          2HE2      GLN  32   4.181   6.538  -5.544
  222   2HE2  GLN  32          1HE2      GLN  32   4.545   4.884  -5.447
  223    H    LEU  33           H        LEU  33  -1.439   5.480  -5.325
  224    HA   LEU  33           HA       LEU  33  -3.810   4.224  -6.540
  225   1HB   LEU  33          1HB       LEU  33  -3.821   5.449  -3.761
  226   2HB   LEU  33          2HB       LEU  33  -5.285   5.234  -4.714
  227    HG   LEU  33           HG       LEU  33  -3.381   3.021  -3.884
  228   1HD1  LEU  33          2HD1      LEU  33  -5.050   4.195  -2.202
  229   2HD1  LEU  33          1HD1      LEU  33  -6.254   3.225  -3.050
  230   3HD1  LEU  33          3HD1      LEU  33  -4.906   2.438  -2.229
  231   1HD2  LEU  33          1HD2      LEU  33  -5.347   3.194  -5.983
  232   2HD2  LEU  33          3HD2      LEU  33  -4.339   1.819  -5.536
  233   3HD2  LEU  33          2HD2      LEU  33  -5.906   2.054  -4.762
  234    H    ASP  34           H        ASP  34  -4.950   5.804  -7.753
  235    HA   ASP  34           HA       ASP  34  -4.004   8.617  -7.368
  236   1HB   ASP  34          1HB       ASP  34  -3.440   7.265  -9.570
  237   2HB   ASP  34          2HB       ASP  34  -5.074   7.762 -10.004
  238    H    GLY  35           H        GLY  35  -5.460  10.045  -7.069
  239   1HA   GLY  35          1HA       GLY  35  -7.488  10.958  -6.342
  240   2HA   GLY  35          2HA       GLY  35  -7.852  10.718  -8.045
  241    H    ASP  36           H        ASP  36  -8.816   8.613  -8.589
  242    HA   ASP  36           HA       ASP  36 -11.070   8.055  -6.859
  243   1HB   ASP  36          1HB       ASP  36 -10.240   7.412  -9.574
  244   2HB   ASP  36          2HB       ASP  36 -10.985   6.027  -8.775
  245    H    GLY  37           H        GLY  37  -7.967   7.034  -6.502
  246   1HA   GLY  37          1HA       GLY  37  -7.164   5.419  -4.981
  247   2HA   GLY  37          2HA       GLY  37  -8.798   4.780  -4.841
  248    H    ASN  38           H        ASN  38  -7.667   5.236  -8.069
  249    HA   ASN  38           HA       ASN  38  -7.826   2.383  -8.594
  250   1HB   ASN  38          1HB       ASN  38  -6.902   4.735 -10.276
  251   2HB   ASN  38          2HB       ASN  38  -6.968   3.079 -10.884
  252   1HD2  ASN  38          2HD2      ASN  38 -10.387   3.369 -11.635
  253   2HD2  ASN  38          1HD2      ASN  38  -8.879   2.681 -11.999
  254    H    ILE  39           H        ILE  39  -6.151   0.924  -8.709
  255    HA   ILE  39           HA       ILE  39  -3.704   1.571  -7.394
  256    HB   ILE  39           HB       ILE  39  -5.020  -0.785  -8.266
  257   1HG1  ILE  39          1HG1      ILE  39  -2.515  -1.448  -7.081
  258   2HG1  ILE  39          2HG1      ILE  39  -3.056   0.068  -6.359
  259   1HG2  ILE  39          1HG2      ILE  39  -3.515  -0.626 -10.314
  260   2HG2  ILE  39          3HG2      ILE  39  -2.155  -0.881  -9.221
  261   3HG2  ILE  39          2HG2      ILE  39  -3.397  -2.122  -9.388
  262   1HD1  ILE  39          1HD1      ILE  39  -5.347  -1.071  -6.094
  263   2HD1  ILE  39          3HD1      ILE  39  -4.507  -2.581  -6.442
  264   3HD1  ILE  39          2HD1      ILE  39  -4.057  -1.627  -5.028
  265    H    LEU  40           H        LEU  40  -1.769   2.183  -8.111
  266    HA   LEU  40           HA       LEU  40  -1.416   2.671 -11.041
  267   1HB   LEU  40          1HB       LEU  40   0.497   3.785  -9.028
  268   2HB   LEU  40          2HB       LEU  40  -0.085   4.502 -10.527
  269    HG   LEU  40           HG       LEU  40  -1.675   4.234  -7.953
  270   1HD1  LEU  40          3HD1      LEU  40   0.215   6.177  -8.847
  271   2HD1  LEU  40          2HD1      LEU  40  -1.387   6.913  -8.906
  272   3HD1  LEU  40          1HD1      LEU  40  -0.788   6.221  -7.398
  273   1HD2  LEU  40          1HD2      LEU  40  -2.931   4.062 -10.178
  274   2HD2  LEU  40          3HD2      LEU  40  -3.454   5.345  -9.088
  275   3HD2  LEU  40          2HD2      LEU  40  -2.430   5.727 -10.471
  276    H    GLN  41           H        GLN  41  -0.216   1.113  -8.177
  277    HA   GLN  41           HA       GLN  41   1.342  -0.816  -9.673
  278   1HB   GLN  41          1HB       GLN  41   3.132   0.676  -9.751
  279   2HB   GLN  41          2HB       GLN  41   2.631   1.520  -8.296
  280   1HG   GLN  41          1HG       GLN  41   3.555  -1.301  -7.991
  281   2HG   GLN  41          2HG       GLN  41   4.766  -0.083  -8.347
  282   1HE2  GLN  41          2HE2      GLN  41   2.710   1.117  -5.069
  283   2HE2  GLN  41          1HE2      GLN  41   1.950   1.021  -6.567
  284    H    TYR  42           H        TYR  42   2.185  -2.500  -7.957
  285    HA   TYR  42           HA       TYR  42   0.629  -2.235  -5.421
  286   1HB   TYR  42          1HB       TYR  42  -0.387  -3.708  -7.341
  287   2HB   TYR  42          2HB       TYR  42   0.808  -4.887  -6.836
  288    HD1  TYR  42           HD1      TYR  42  -1.660  -2.549  -5.221
  289    HD2  TYR  42           HD2      TYR  42   0.103  -6.469  -5.280
  290    HE1  TYR  42           HE1      TYR  42  -3.171  -3.267  -3.376
  291    HE2  TYR  42           HE2      TYR  42  -1.413  -7.175  -3.447
  292    HH   TYR  42           HH       TYR  42  -3.393  -6.614  -2.417
  293    H    ASN  43           H        ASN  43   2.632  -4.879  -6.737
  294    HA   ASN  43           HA       ASN  43   5.079  -4.931  -5.921
  295   1HB   ASN  43          1HB       ASN  43   4.797  -3.648  -3.916
  296   2HB   ASN  43          2HB       ASN  43   3.548  -4.727  -3.318
  297   1HD2  ASN  43          2HD2      ASN  43   7.197  -5.357  -2.087
  298   2HD2  ASN  43          1HD2      ASN  43   6.529  -3.884  -2.562
  299    H    ALA  44           H        ALA  44   5.911  -7.019  -5.484
  300    HA   ALA  44           HA       ALA  44   4.056  -9.179  -6.104
  301   1HB   ALA  44          2HB       ALA  44   6.553  -8.918  -6.816
  302   2HB   ALA  44          1HB       ALA  44   6.904  -9.611  -5.232
  303   3HB   ALA  44          3HB       ALA  44   5.953 -10.524  -6.404
  304    H    ALA  45           H        ALA  45   6.289  -8.601  -3.391
  305    HA   ALA  45           HA       ALA  45   5.839 -10.577  -1.613
  306   1HB   ALA  45          1HB       ALA  45   6.968  -8.198  -1.352
  307   2HB   ALA  45          3HB       ALA  45   5.450  -7.802  -0.548
  308   3HB   ALA  45          2HB       ALA  45   6.464  -9.104   0.075
  309    H    GLU  46           H        GLU  46   3.584  -7.768  -1.671
  310    HA   GLU  46           HA       GLU  46   1.722  -9.000   0.118
  311   1HB   GLU  46          1HB       GLU  46   0.120  -7.287  -0.707
  312   2HB   GLU  46          2HB       GLU  46   1.679  -6.603  -0.283
  313   1HG   GLU  46          1HG       GLU  46   2.329  -6.721  -2.699
  314   2HG   GLU  46          2HG       GLU  46   0.677  -7.228  -3.062
  315    HE1  GLU  46           HE1      GLU  46  -0.792  -5.624  -1.469
  316    H    GLY  47           H        GLY  47   1.773  -8.778  -3.408
  317   1HA   GLY  47          1HA       GLY  47  -0.658 -10.235  -3.856
  318   2HA   GLY  47          2HA       GLY  47   0.660 -10.063  -5.028
  319    H    ASP  48           H        ASP  48   2.379 -11.331  -2.631
  320    HA   ASP  48           HA       ASP  48   2.064 -14.060  -3.701
  321   1HB   ASP  48          1HB       ASP  48   4.264 -12.614  -2.996
  322   2HB   ASP  48          2HB       ASP  48   4.017 -13.572  -1.535
  323    H    ILE  49           H        ILE  49   1.550 -12.326  -0.667
  324    HA   ILE  49           HA       ILE  49   0.983 -14.780   0.808
  325    HB   ILE  49           HB       ILE  49   1.461 -11.999   1.359
  326   1HG1  ILE  49          1HG1      ILE  49   2.207 -12.940   3.530
  327   2HG1  ILE  49          2HG1      ILE  49   1.507 -14.491   3.067
  328   1HG2  ILE  49          3HG2      ILE  49  -0.824 -13.292   2.848
  329   2HG2  ILE  49          2HG2      ILE  49   0.075 -11.902   3.459
  330   3HG2  ILE  49          1HG2      ILE  49  -0.851 -11.766   1.965
  331   1HD1  ILE  49          2HD1      ILE  49   3.105 -13.710   0.885
  332   2HD1  ILE  49          1HD1      ILE  49   4.064 -13.356   2.322
  333   3HD1  ILE  49          3HD1      ILE  49   3.452 -14.987   2.050
  334    H    THR  50           H        THR  50  -0.757 -12.191  -0.749
  335    HA   THR  50           HA       THR  50  -3.338 -13.519  -0.046
  336    HB   THR  50           HB       THR  50  -3.821 -11.371   0.583
  337    HG1  THR  50           HG1      THR  50  -5.229 -10.953  -0.875
  338   1HG2  THR  50          3HG2      THR  50  -1.418 -10.655   0.040
  339   2HG2  THR  50          2HG2      THR  50  -2.028 -10.159  -1.536
  340   3HG2  THR  50          1HG2      THR  50  -2.633  -9.403  -0.071
  341    H    GLY  51           H        GLY  51  -1.239 -12.795  -2.708
  342   1HA   GLY  51          1HA       GLY  51  -1.458 -13.993  -4.800
  343   2HA   GLY  51          2HA       GLY  51  -3.177 -14.145  -4.476
  344    H    ARG  52           H        ARG  52  -2.564 -11.021  -3.696
  345    HA   ARG  52           HA       ARG  52  -3.859 -10.011  -6.055
  346   1HB   ARG  52          1HB       ARG  52  -2.665  -8.832  -3.602
  347   2HB   ARG  52          2HB       ARG  52  -2.890  -7.761  -4.984
  348   1HG   ARG  52          1HG       ARG  52  -5.118  -7.726  -4.702
  349   2HG   ARG  52          2HG       ARG  52  -5.194  -9.479  -4.566
  350   1HD   ARG  52          1HD       ARG  52  -5.485  -9.323  -2.363
  351   2HD   ARG  52          2HD       ARG  52  -3.966  -8.442  -2.217
  352    HE   ARG  52           HE       ARG  52  -5.295  -6.331  -2.590
  353   1HH1  ARG  52          1HH2      ARG  52  -7.398  -8.906  -2.941
  354   2HH1  ARG  52          2HH2      ARG  52  -8.605  -8.282  -1.869
  355   1HH2  ARG  52          2HH1      ARG  52  -6.650  -5.683  -0.719
  356   2HH2  ARG  52          1HH1      ARG  52  -8.178  -6.490  -0.596
  357    H    ASP  53           H        ASP  53  -2.651 -10.456  -7.893
  358    HA   ASP  53           HA       ASP  53   0.177  -9.836  -8.098
  359   1HB   ASP  53          1HB       ASP  53  -1.873 -11.031  -9.762
  360   2HB   ASP  53          2HB       ASP  53  -0.940  -9.855 -10.689
  361    HA   PRO  54           HA       PRO  54  -0.152  -5.565  -9.095
  362   1HB   PRO  54          1HB       PRO  54   1.909  -5.260 -10.891
  363   2HB   PRO  54          2HB       PRO  54   2.149  -5.461  -9.147
  364   1HG   PRO  54          1HG       PRO  54   2.590  -7.432 -11.342
  365   2HG   PRO  54          2HG       PRO  54   3.365  -7.332  -9.752
  366   1HD   PRO  54          1HD       PRO  54   1.301  -9.124 -10.475
  367   2HD   PRO  54          2HD       PRO  54   1.845  -8.773  -8.820
  368    H    LYS  55           H        LYS  55  -0.092  -7.816 -11.812
  369    HA   LYS  55           HA       LYS  55  -1.076  -5.851 -13.721
  370   1HB   LYS  55          1HB       LYS  55  -0.876  -8.870 -13.896
  371   2HB   LYS  55          2HB       LYS  55  -1.279  -7.803 -15.242
  372   1HG   LYS  55          1HG       LYS  55   1.134  -6.922 -13.870
  373   2HG   LYS  55          2HG       LYS  55   1.291  -8.577 -14.463
  374   1HD   LYS  55          1HD       LYS  55  -0.016  -6.869 -16.425
  375   2HD   LYS  55          2HD       LYS  55   1.573  -6.243 -15.979
  376   1HE   LYS  55          1HE       LYS  55   2.075  -8.935 -16.216
  377   2HE   LYS  55          2HE       LYS  55   0.872  -8.676 -17.479
  378   1HZ   LYS  55          3HZ       LYS  55   3.093  -6.775 -17.215
  379   2HZ   LYS  55          2HZ       LYS  55   3.386  -8.277 -17.951
  380   3HZ   LYS  55          1HZ       LYS  55   2.218  -7.225 -18.596
  381    H    GLN  56           H        GLN  56  -2.459  -8.384 -11.684
  382    HA   GLN  56           HA       GLN  56  -5.092  -8.222 -12.913
  383   1HB   GLN  56          1HB       GLN  56  -4.127 -10.202 -11.590
  384   2HB   GLN  56          2HB       GLN  56  -4.490  -9.265 -10.141
  385   1HG   GLN  56          1HG       GLN  56  -6.706  -9.393 -12.079
  386   2HG   GLN  56          2HG       GLN  56  -6.266 -10.951 -11.378
  387   1HE2  GLN  56          2HE2      GLN  56  -7.337 -10.079  -8.089
  388   2HE2  GLN  56          1HE2      GLN  56  -6.377 -11.150  -8.991
  389    H    VAL  57           H        VAL  57  -3.589  -6.878  -9.984
  390    HA   VAL  57           HA       VAL  57  -6.020  -5.541  -9.123
  391    HB   VAL  57           HB       VAL  57  -4.531  -4.384  -7.529
  392   1HG1  VAL  57          2HG1      VAL  57  -4.899  -7.211  -7.823
  393   2HG1  VAL  57          1HG1      VAL  57  -3.301  -6.922  -7.137
  394   3HG1  VAL  57          3HG1      VAL  57  -4.734  -6.277  -6.336
  395   1HG2  VAL  57          1HG2      VAL  57  -2.524  -5.318  -9.492
  396   2HG2  VAL  57          3HG2      VAL  57  -2.476  -3.925  -8.412
  397   3HG2  VAL  57          2HG2      VAL  57  -2.060  -5.527  -7.803
  398    H    ILE  58           H        ILE  58  -3.961  -4.947 -11.706
  399    HA   ILE  58           HA       ILE  58  -3.828  -2.075 -11.543
  400    HB   ILE  58           HB       ILE  58  -3.080  -4.180 -13.456
  401   1HG1  ILE  58          1HG1      ILE  58  -2.077  -1.358 -13.013
  402   2HG1  ILE  58          2HG1      ILE  58  -1.577  -2.758 -12.063
  403   1HG2  ILE  58          2HG2      ILE  58  -4.770  -2.957 -14.868
  404   2HG2  ILE  58          1HG2      ILE  58  -3.847  -1.477 -14.614
  405   3HG2  ILE  58          3HG2      ILE  58  -3.122  -2.830 -15.482
  406   1HD1  ILE  58          1HD1      ILE  58  -1.364  -3.366 -14.879
  407   2HD1  ILE  58          3HD1      ILE  58  -0.483  -1.880 -14.522
  408   3HD1  ILE  58          2HD1      ILE  58  -0.095  -3.365 -13.653
  409    H    GLY  59           H        GLY  59  -5.451  -0.698 -11.811
  410   1HA   GLY  59          1HA       GLY  59  -7.382   0.221 -12.922
  411   2HA   GLY  59          2HA       GLY  59  -7.705  -1.371 -13.615
  412    H    LYS  60           H        LYS  60  -7.159  -2.476 -10.772
  413    HA   LYS  60           HA       LYS  60  -9.963  -2.358  -9.916
  414   1HB   LYS  60          1HB       LYS  60  -7.726  -3.666  -8.363
  415   2HB   LYS  60          2HB       LYS  60  -9.427  -4.120  -8.428
  416   1HG   LYS  60          1HG       LYS  60  -7.410  -4.397 -10.677
  417   2HG   LYS  60          2HG       LYS  60  -8.112  -5.711  -9.733
  418   1HD   LYS  60          1HD       LYS  60 -10.347  -4.345 -10.630
  419   2HD   LYS  60          2HD       LYS  60  -9.246  -4.237 -12.004
  420   1HE   LYS  60          1HE       LYS  60  -8.885  -6.710 -11.847
  421   2HE   LYS  60          2HE       LYS  60 -10.110  -6.769 -10.579
  422   1HZ   LYS  60          1HZ       LYS  60 -11.625  -5.653 -12.226
  423   2HZ   LYS  60          3HZ       LYS  60 -10.460  -5.987 -13.414
  424   3HZ   LYS  60          2HZ       LYS  60 -11.211  -7.263 -12.580
  425    H    ASN  61           H        ASN  61 -10.730  -1.108  -8.239
  426    HA   ASN  61           HA       ASN  61  -8.959   0.903  -7.100
  427   1HB   ASN  61          1HB       ASN  61 -11.756   0.586  -7.397
  428   2HB   ASN  61          2HB       ASN  61 -11.451   0.657  -5.662
  429   1HD2  ASN  61          2HD2      ASN  61 -10.585   3.935  -7.981
  430   2HD2  ASN  61          1HD2      ASN  61 -10.769   2.416  -8.715
  431    H    PHE  62           H        PHE  62  -7.644   0.507  -5.412
  432    HA   PHE  62           HA       PHE  62  -7.711  -1.947  -3.907
  433   1HB   PHE  62          1HB       PHE  62  -5.644  -0.657  -4.203
  434   2HB   PHE  62          2HB       PHE  62  -6.329   0.677  -3.278
  435    HD1  PHE  62           HD1      PHE  62  -5.469  -2.952  -3.050
  436    HD2  PHE  62           HD2      PHE  62  -6.183   0.714  -0.922
  437    HE1  PHE  62           HE1      PHE  62  -4.733  -4.033  -0.945
  438    HE2  PHE  62           HE2      PHE  62  -5.404  -0.360   1.180
  439    HZ   PHE  62           HZ       PHE  62  -4.716  -2.745   1.168
  440    H    PHE  63           H        PHE  63  -9.670   0.816  -3.596
  441    HA   PHE  63           HA       PHE  63  -9.956   0.410  -0.684
  442   1HB   PHE  63          1HB       PHE  63 -10.989   2.502  -2.599
  443   2HB   PHE  63          2HB       PHE  63 -11.547   2.403  -0.927
  444    HD1  PHE  63           HD1      PHE  63  -9.391   1.837   0.729
  445    HD2  PHE  63           HD2      PHE  63  -9.330   4.092  -2.918
  446    HE1  PHE  63           HE1      PHE  63  -7.355   3.016   1.494
  447    HE2  PHE  63           HE2      PHE  63  -7.286   5.275  -2.152
  448    HZ   PHE  63           HZ       PHE  63  -6.305   4.731   0.065
  449    H    LYS  64           H        LYS  64 -12.263   0.739  -3.437
  450    HA   LYS  64           HA       LYS  64 -14.076  -1.083  -1.906
  451   1HB   LYS  64          1HB       LYS  64 -14.503   1.396  -3.395
  452   2HB   LYS  64          2HB       LYS  64 -15.604   0.111  -3.892
  453   1HG   LYS  64          1HG       LYS  64 -16.322  -0.234  -1.596
  454   2HG   LYS  64          2HG       LYS  64 -15.128   0.925  -1.011
  455   1HD   LYS  64          1HD       LYS  64 -16.396   2.717  -1.601
  456   2HD   LYS  64          2HD       LYS  64 -16.913   1.972  -3.114
  457   1HE   LYS  64          1HE       LYS  64 -18.187   0.382  -1.296
  458   2HE   LYS  64          2HE       LYS  64 -18.206   1.931  -0.456
  459   1HZ   LYS  64          1HZ       LYS  64 -18.849   2.326  -3.172
  460   2HZ   LYS  64          3HZ       LYS  64 -19.847   1.109  -2.541
  461   3HZ   LYS  64          2HZ       LYS  64 -19.797   2.636  -1.798
  462    H    ASP  65           H        ASP  65 -11.875  -1.709  -4.009
  463    HA   ASP  65           HA       ASP  65 -13.657  -3.463  -5.633
  464   1HB   ASP  65          1HB       ASP  65 -12.015  -1.298  -6.611
  465   2HB   ASP  65          2HB       ASP  65 -11.497  -2.828  -7.311
  466    H    VAL  66           H        VAL  66 -10.741  -3.155  -3.791
  467    HA   VAL  66           HA       VAL  66  -9.952  -5.895  -4.698
  468    HB   VAL  66           HB       VAL  66  -8.159  -3.752  -3.527
  469   1HG1  VAL  66          1HG1      VAL  66  -7.867  -6.554  -3.942
  470   2HG1  VAL  66          3HG1      VAL  66  -6.790  -5.720  -5.064
  471   3HG1  VAL  66          2HG1      VAL  66  -6.683  -5.398  -3.337
  472   1HG2  VAL  66          2HG2      VAL  66  -8.952  -4.345  -6.316
  473   2HG2  VAL  66          1HG2      VAL  66  -8.393  -2.833  -5.596
  474   3HG2  VAL  66          3HG2      VAL  66  -7.230  -4.087  -6.027
  475    H    ALA  67           H        ALA  67  -9.870  -3.569  -2.036
  476    HA   ALA  67           HA       ALA  67 -10.055  -5.850  -0.105
  477   1HB   ALA  67          2HB       ALA  67  -8.259  -3.550  -0.351
  478   2HB   ALA  67          1HB       ALA  67  -9.011  -3.636   1.242
  479   3HB   ALA  67          3HB       ALA  67  -8.080  -5.003   0.630
  480    HA   PRO  68           HA       PRO  68 -13.869  -3.486   0.631
  481   1HB   PRO  68          1HB       PRO  68 -15.118  -5.463   2.079
  482   2HB   PRO  68          2HB       PRO  68 -15.099  -5.399   0.308
  483   1HG   PRO  68          1HG       PRO  68 -13.544  -7.168   2.142
  484   2HG   PRO  68          2HG       PRO  68 -14.079  -7.467   0.480
  485   1HD   PRO  68          1HD       PRO  68 -11.470  -6.737   1.251
  486   2HD   PRO  68          2HD       PRO  68 -12.122  -6.652  -0.400
  487    H    CYS  69           H        CYS  69 -11.389  -4.309   2.722
  488    HA   CYS  69           HA       CYS  69 -12.854  -3.413   5.148
  489   1HB   CYS  69          1HB       CYS  69 -10.938  -4.175   6.407
  490   2HB   CYS  69          2HB       CYS  69 -11.341  -5.438   5.243
  491    H    THR  70           H        THR  70 -10.507  -2.349   2.802
  492    HA   THR  70           HA       THR  70  -9.431  -0.194   4.419
  493    HB   THR  70           HB       THR  70  -8.508   0.618   2.252
  494    HG1  THR  70           HG1      THR  70  -9.644  -1.646   1.093
  495   1HG2  THR  70          1HG2      THR  70  -8.240  -2.281   3.021
  496   2HG2  THR  70          3HG2      THR  70  -7.279  -1.585   1.716
  497   3HG2  THR  70          2HG2      THR  70  -7.131  -0.951   3.355
  498    H    ASP  71           H        ASP  71 -12.480  -0.626   3.101
  499    HA   ASP  71           HA       ASP  71 -12.884   2.204   2.390
  500   1HB   ASP  71          1HB       ASP  71 -15.258   1.458   1.997
  501   2HB   ASP  71          2HB       ASP  71 -14.072   0.569   1.039
  502    H    SER  72           H        SER  72 -12.034   2.115   4.932
  503    HA   SER  72           HA       SER  72 -14.500   2.659   6.526
  504   1HB   SER  72          1HB       SER  72 -12.312   0.828   7.076
  505   2HB   SER  72          2HB       SER  72 -12.422   2.059   8.329
  506    HG   SER  72           HG       SER  72 -14.259   1.233   8.957
  507    HA   PRO  73           HA       PRO  73 -12.628   6.531   7.460
  508   1HB   PRO  73          1HB       PRO  73 -13.017   6.847  10.163
  509   2HB   PRO  73          2HB       PRO  73 -14.307   6.990   8.958
  510   1HG   PRO  73          1HG       PRO  73 -13.766   4.769  10.870
  511   2HG   PRO  73          2HG       PRO  73 -15.297   5.265  10.132
  512   1HD   PRO  73          1HD       PRO  73 -13.713   3.067   9.331
  513   2HD   PRO  73          2HD       PRO  73 -15.051   3.777   8.405
  514    H    GLU  74           H        GLU  74 -11.140   3.759   8.642
  515    HA   GLU  74           HA       GLU  74  -8.954   5.293   9.924
  516   1HB   GLU  74          1HB       GLU  74  -9.823   2.425  10.075
  517   2HB   GLU  74          2HB       GLU  74  -8.182   2.889  10.528
  518   1HG   GLU  74          1HG       GLU  74  -9.142   3.224  12.578
  519   2HG   GLU  74          2HG       GLU  74  -9.586   4.777  11.870
  520    H    PHE  75           H        PHE  75  -9.758   3.230   7.228
  521    HA   PHE  75           HA       PHE  75  -6.909   3.221   6.355
  522   1HB   PHE  75          1HB       PHE  75  -8.640   1.160   6.342
  523   2HB   PHE  75          2HB       PHE  75  -9.032   1.844   4.765
  524    HD1  PHE  75           HD2      PHE  75  -6.962   2.505   3.281
  525    HD2  PHE  75           HD1      PHE  75  -6.828  -0.324   6.504
  526    HE1  PHE  75           HE2      PHE  75  -4.916   1.504   2.310
  527    HE2  PHE  75           HE1      PHE  75  -4.769  -1.324   5.538
  528    HZ   PHE  75           HZ       PHE  75  -3.817  -0.411   3.440
  529    H    TYR  76           H        TYR  76 -10.024   3.471   4.580
  530    HA   TYR  76           HA       TYR  76  -8.839   5.331   2.680
  531   1HB   TYR  76          1HB       TYR  76 -10.777   3.736   2.189
  532   2HB   TYR  76          2HB       TYR  76 -11.800   4.836   3.113
  533    HD1  TYR  76           HD2      TYR  76  -8.964   5.494   0.757
  534    HD2  TYR  76           HD1      TYR  76 -13.149   5.994   1.580
  535    HE1  TYR  76           HE2      TYR  76  -9.177   6.950  -1.240
  536    HE2  TYR  76           HE1      TYR  76 -13.365   7.451  -0.415
  537    HH   TYR  76           HH       TYR  76 -11.949   7.644  -2.710
  538    H    GLY  77           H        GLY  77 -10.240   5.585   5.801
  539   1HA   GLY  77          1HA       GLY  77 -11.379   8.206   5.662
  540   2HA   GLY  77          2HA       GLY  77 -10.807   7.420   7.123
  541    H    LYS  78           H        LYS  78  -8.275   7.208   7.096
  542    HA   LYS  78           HA       LYS  78  -7.252   9.880   7.238
  543   1HB   LYS  78          1HB       LYS  78  -5.453   7.478   7.008
  544   2HB   LYS  78          2HB       LYS  78  -5.243   8.931   7.983
  545   1HG   LYS  78          1HG       LYS  78  -7.024   6.559   8.493
  546   2HG   LYS  78          2HG       LYS  78  -5.881   7.331   9.585
  547   1HD   LYS  78          1HD       LYS  78  -7.577   9.404   9.171
  548   2HD   LYS  78          2HD       LYS  78  -8.699   8.062   8.951
  549   1HE   LYS  78          1HE       LYS  78  -8.831   8.411  11.262
  550   2HE   LYS  78          2HE       LYS  78  -7.609   7.143  11.161
  551   1HZ   LYS  78          2HZ       LYS  78  -6.024   9.198  10.963
  552   2HZ   LYS  78          1HZ       LYS  78  -7.292   9.991  11.770
  553   3HZ   LYS  78          3HZ       LYS  78  -6.546   8.644  12.482
  554    H    PHE  79           H        PHE  79  -7.630   7.769   4.595
  555    HA   PHE  79           HA       PHE  79  -5.488   8.891   2.991
  556   1HB   PHE  79          1HB       PHE  79  -6.191   6.631   2.531
  557   2HB   PHE  79          2HB       PHE  79  -7.868   7.137   2.393
  558    HD1  PHE  79           HD1      PHE  79  -8.395   8.900   0.504
  559    HD2  PHE  79           HD2      PHE  79  -4.865   6.437   0.569
  560    HE1  PHE  79           HE1      PHE  79  -8.118   9.208  -1.941
  561    HE2  PHE  79           HE2      PHE  79  -4.639   6.719  -1.858
  562    HZ   PHE  79           HZ       PHE  79  -6.224   8.119  -3.106
  563    H    LYS  80           H        LYS  80  -8.989   9.279   3.295
  564    HA   LYS  80           HA       LYS  80  -9.131  11.242   1.203
  565   1HB   LYS  80          1HB       LYS  80 -10.975   9.869   2.989
  566   2HB   LYS  80          2HB       LYS  80 -11.365  11.583   2.842
  567   1HG   LYS  80          1HG       LYS  80 -10.670  10.382   0.269
  568   2HG   LYS  80          2HG       LYS  80 -12.061   9.600   1.022
  569   1HD   LYS  80          1HD       LYS  80 -12.114  12.531   1.230
  570   2HD   LYS  80          2HD       LYS  80 -12.165  11.940  -0.432
  571   1HE   LYS  80          1HE       LYS  80 -13.972  10.291   0.440
  572   2HE   LYS  80          2HE       LYS  80 -14.086  11.381   1.821
  573   1HZ   LYS  80          3HZ       LYS  80 -14.241  13.176  -0.030
  574   2HZ   LYS  80          2HZ       LYS  80 -14.743  11.873  -0.999
  575   3HZ   LYS  80          1HZ       LYS  80 -15.617  12.282   0.400
  576    H    GLU  81           H        GLU  81  -7.977  11.243   4.357
  577    HA   GLU  81           HA       GLU  81  -8.629  14.115   4.819
  578   1HB   GLU  81          1HB       GLU  81  -7.037  12.250   6.609
  579   2HB   GLU  81          2HB       GLU  81  -7.790  13.782   7.055
  580   1HG   GLU  81          1HG       GLU  81  -9.683  11.859   5.895
  581   2HG   GLU  81          2HG       GLU  81  -8.938  11.289   7.388
  582    H    GLY  82           H        GLY  82  -5.947  11.899   4.328
  583   1HA   GLY  82          1HA       GLY  82  -3.834  13.848   4.482
  584   2HA   GLY  82          2HA       GLY  82  -3.718  12.274   3.690
  585    H    VAL  83           H        VAL  83  -5.801  12.512   1.881
  586    HA   VAL  83           HA       VAL  83  -4.577  13.878  -0.313
  587    HB   VAL  83           HB       VAL  83  -7.474  13.035   0.015
  588   1HG1  VAL  83          3HG1      VAL  83  -5.981  14.309  -2.129
  589   2HG1  VAL  83          2HG1      VAL  83  -6.653  12.761  -2.642
  590   3HG1  VAL  83          1HG1      VAL  83  -7.715  14.014  -1.996
  591   1HG2  VAL  83          2HG2      VAL  83  -5.249  11.405   0.110
  592   2HG2  VAL  83          1HG2      VAL  83  -6.858  10.891  -0.392
  593   3HG2  VAL  83          3HG2      VAL  83  -5.671  11.369  -1.599
  594    H    ALA  84           H        ALA  84  -7.254  14.792   1.847
  595    HA   ALA  84           HA       ALA  84  -7.518  17.397   0.460
  596   1HB   ALA  84          3HB       ALA  84  -9.176  15.738   2.236
  597   2HB   ALA  84          2HB       ALA  84  -9.272  17.468   2.560
  598   3HB   ALA  84          1HB       ALA  84  -9.662  16.849   0.955
  599    H    SER  85           H        SER  85  -5.533  16.261   2.850
  600    HA   SER  85           HA       SER  85  -5.713  18.775   4.446
  601   1HB   SER  85          1HB       SER  85  -4.390  17.616   6.137
  602   2HB   SER  85          2HB       SER  85  -5.776  16.627   5.699
  603    HG   SER  85           HG       SER  85  -4.185  15.698   4.095
  604    H    GLY  86           H        GLY  86  -3.675  17.045   2.213
  605   1HA   GLY  86          1HA       GLY  86  -1.872  18.030   0.990
  606   2HA   GLY  86          2HA       GLY  86  -1.863  19.373   2.138
  607    H    ASN  87           H        ASN  87  -1.931  16.162   3.441
  608    HA   ASN  87           HA       ASN  87   0.971  15.891   3.632
  609   1HB   ASN  87          1HB       ASN  87   0.973  15.991   6.144
  610   2HB   ASN  87          2HB       ASN  87   0.667  17.551   5.378
  611   1HD2  ASN  87          2HD2      ASN  87  -2.566  17.872   6.752
  612   2HD2  ASN  87          1HD2      ASN  87  -1.345  18.567   5.799
  613    H    LEU  88           H        LEU  88  -0.556  14.067   2.509
  614    HA   LEU  88           HA       LEU  88  -1.815  12.173   4.264
  615   1HB   LEU  88          1HB       LEU  88  -1.954  12.409   1.657
  616   2HB   LEU  88          2HB       LEU  88  -0.536  11.356   1.673
  617    HG   LEU  88           HG       LEU  88  -2.700  10.494   3.474
  618   1HD1  LEU  88          2HD1      LEU  88  -3.348  11.291   0.787
  619   2HD1  LEU  88          1HD1      LEU  88  -3.476   9.536   0.915
  620   3HD1  LEU  88          3HD1      LEU  88  -4.402  10.570   2.003
  621   1HD2  LEU  88          3HD2      LEU  88  -0.500   9.316   2.675
  622   2HD2  LEU  88          2HD2      LEU  88  -1.975   8.360   2.815
  623   3HD2  LEU  88          1HD2      LEU  88  -1.437   8.926   1.234
  624    H    ASN  89           H        ASN  89  -0.579  11.447   5.941
  625    HA   ASN  89           HA       ASN  89   1.595   9.601   5.321
  626   1HB   ASN  89          1HB       ASN  89   2.701  11.879   5.325
  627   2HB   ASN  89          2HB       ASN  89   2.233  12.031   7.019
  628   1HD2  ASN  89          2HD2      ASN  89   5.514  10.610   7.465
  629   2HD2  ASN  89          1HD2      ASN  89   4.700  12.093   7.336
  630    H    THR  90           H        THR  90  -0.035   8.237   6.430
  631    HA   THR  90           HA       THR  90   0.227   8.506   9.389
  632    HB   THR  90           HB       THR  90  -1.943   9.505   8.754
  633    HG1  THR  90           HG1      THR  90  -3.239   7.997  10.007
  634   1HG2  THR  90          3HG2      THR  90  -1.994   7.739   6.723
  635   2HG2  THR  90          2HG2      THR  90  -3.006   6.870   7.877
  636   3HG2  THR  90          1HG2      THR  90  -3.455   8.495   7.360
  637    H    MET  91           H        MET  91  -0.755   6.421  10.435
  638    HA   MET  91           HA       MET  91  -0.463   4.023   8.734
  639   1HB   MET  91          1HB       MET  91   1.167   3.045  10.413
  640   2HB   MET  91          2HB       MET  91   1.829   4.355   9.434
  641   1HG   MET  91          2HG       MET  91   0.500   5.096  11.999
  642   2HG   MET  91          1HG       MET  91   2.083   4.326  12.099
  643   1HE   MET  91          2HE       MET  91   3.898   5.228  12.188
  644   2HE   MET  91          1HE       MET  91   4.372   5.570  10.526
  645   3HE   MET  91          3HE       MET  91   4.459   6.841  11.752
  646    H    PHE  92           H        PHE  92  -0.983   2.012  10.125
  647    HA   PHE  92           HA       PHE  92  -2.266   2.332  12.671
  648   1HB   PHE  92          1HB       PHE  92  -4.626   1.882  11.860
  649   2HB   PHE  92          2HB       PHE  92  -4.018   3.506  11.539
  650    HD1  PHE  92           HD1      PHE  92  -4.231   0.108   9.955
  651    HD2  PHE  92           HD2      PHE  92  -4.074   4.355   9.372
  652    HE1  PHE  92           HE1      PHE  92  -4.643  -0.212   7.535
  653    HE2  PHE  92           HE2      PHE  92  -4.480   4.035   6.948
  654    HZ   PHE  92           HZ       PHE  92  -4.737   1.747   6.027
  655    H    GLU  93           H        GLU  93  -3.115   0.311  13.463
  656    HA   GLU  93           HA       GLU  93  -1.875  -2.009  12.178
  657   1HB   GLU  93          1HB       GLU  93  -3.693  -1.907  14.607
  658   2HB   GLU  93          2HB       GLU  93  -2.641  -3.243  14.136
  659   1HG   GLU  93          1HG       GLU  93  -0.842  -1.206  14.197
  660   2HG   GLU  93          2HG       GLU  93  -1.963  -0.675  15.451
  661    H    TYR  94           H        TYR  94  -2.910  -3.062  10.553
  662    HA   TYR  94           HA       TYR  94  -5.896  -3.199  10.685
  663   1HB   TYR  94          1HB       TYR  94  -4.320  -1.994   8.695
  664   2HB   TYR  94          2HB       TYR  94  -4.833  -3.534   8.006
  665    HD1  TYR  94           HD1      TYR  94  -6.442  -1.057  10.327
  666    HD2  TYR  94           HD2      TYR  94  -6.704  -3.271   6.655
  667    HE1  TYR  94           HE1      TYR  94  -8.703  -0.123   9.925
  668    HE2  TYR  94           HE2      TYR  94  -8.965  -2.338   6.256
  669    HH   TYR  94           HH       TYR  94 -10.842  -1.043   8.475
  670    H    THR  95           H        THR  95  -6.715  -5.121   9.346
  671    HA   THR  95           HA       THR  95  -4.772  -7.367   9.321
  672    HB   THR  95           HB       THR  95  -7.505  -7.914  10.404
  673    HG1  THR  95           HG1      THR  95  -6.996  -6.344  11.794
  674   1HG2  THR  95          2HG2      THR  95  -5.168  -9.358   9.932
  675   2HG2  THR  95          1HG2      THR  95  -5.175  -9.107  11.677
  676   3HG2  THR  95          3HG2      THR  95  -6.544  -9.894  10.895
  677    H    PHE  96           H        PHE  96  -4.844  -7.978   7.237
  678    HA   PHE  96           HA       PHE  96  -7.258  -7.634   5.622
  679   1HB   PHE  96          1HB       PHE  96  -4.617  -8.991   4.993
  680   2HB   PHE  96          2HB       PHE  96  -5.900  -8.700   3.824
  681    HD1  PHE  96           HD1      PHE  96  -6.435  -5.901   5.558
  682    HD2  PHE  96           HD2      PHE  96  -3.205  -7.662   3.325
  683    HE1  PHE  96           HE1      PHE  96  -5.509  -3.648   5.119
  684    HE2  PHE  96           HE2      PHE  96  -2.283  -5.402   2.894
  685    HZ   PHE  96           HZ       PHE  96  -3.436  -3.397   3.789
  686    H    ASP  97           H        ASP  97  -8.722  -9.000   6.806
  687    HA   ASP  97           HA       ASP  97  -8.135 -11.917   6.649
  688   1HB   ASP  97          1HB       ASP  97 -10.333 -10.455   8.157
  689   2HB   ASP  97          2HB       ASP  97 -10.010 -12.188   8.226
  690    H    TYR  98           H        TYR  98  -8.872 -10.180   4.396
  691    HA   TYR  98           HA       TYR  98 -11.647 -10.813   3.739
  692   1HB   TYR  98          1HB       TYR  98 -11.333  -9.388   1.948
  693   2HB   TYR  98          2HB       TYR  98  -9.922  -8.881   2.868
  694    HD1  TYR  98           HD1      TYR  98  -7.902 -10.830   2.509
  695    HD2  TYR  98           HD2      TYR  98 -10.882  -9.575  -0.312
  696    HE1  TYR  98           HE1      TYR  98  -6.462 -11.621   0.652
  697    HE2  TYR  98           HE2      TYR  98  -9.446 -10.370  -2.178
  698    HH   TYR  98           HH       TYR  98  -7.088 -12.448  -1.924
  699    H    GLN  99           H        GLN  99 -12.236 -12.360   2.067
  700    HA   GLN  99           HA       GLN  99 -11.964 -14.864   1.915
  701   1HB   GLN  99          1HB       GLN  99 -10.914 -13.413  -0.527
  702   2HB   GLN  99          2HB       GLN  99 -11.628 -15.026  -0.498
  703   1HG   GLN  99          1HG       GLN  99 -13.624 -13.714   0.699
  704   2HG   GLN  99          2HG       GLN  99 -12.948 -12.363  -0.210
  705   1HE2  GLN  99          2HE2      GLN  99 -14.824 -15.402  -2.200
  706   2HE2  GLN  99          1HE2      GLN  99 -14.463 -15.560  -0.549
  707    H    MET 100           H        MET 100 -10.022 -14.978   3.514
  708    HA   MET 100           HA       MET 100  -7.951 -16.564   2.352
  709   1HB   MET 100          1HB       MET 100  -7.583 -13.796   1.930
  710   2HB   MET 100          2HB       MET 100  -6.489 -14.219   3.248
  711   1HG   MET 100          2HG       MET 100  -6.342 -16.306   1.303
  712   2HG   MET 100          1HG       MET 100  -6.192 -14.771   0.451
  713   1HE   MET 100          3HE       MET 100  -5.180 -12.873   1.607
  714   2HE   MET 100          2HE       MET 100  -4.550 -13.060   3.243
  715   3HE   MET 100          1HE       MET 100  -3.433 -12.906   1.889
  716    H    THR 101           H        THR 101  -5.832 -15.810   4.132
  717    HA   THR 101           HA       THR 101  -6.982 -16.792   6.677
  718    HB   THR 101           HB       THR 101  -4.217 -16.429   7.001
  719    HG1  THR 101           HG1      THR 101  -3.977 -16.075   4.806
  720   1HG2  THR 101          2HG2      THR 101  -6.080 -18.701   6.478
  721   2HG2  THR 101          1HG2      THR 101  -4.348 -19.022   6.365
  722   3HG2  THR 101          3HG2      THR 101  -5.035 -18.403   7.868
  723    HA   PRO 102           HA       PRO 102  -6.577 -12.941   8.777
  724   1HB   PRO 102          1HB       PRO 102  -5.361 -13.592  11.155
  725   2HB   PRO 102          2HB       PRO 102  -7.048 -13.976  10.779
  726   1HG   PRO 102          1HG       PRO 102  -4.683 -15.790  10.857
  727   2HG   PRO 102          2HG       PRO 102  -6.394 -16.166  11.118
  728   1HD   PRO 102          1HD       PRO 102  -4.934 -16.683   8.758
  729   2HD   PRO 102          2HD       PRO 102  -6.702 -16.723   8.914
  730    H    THR 103           H        THR 103  -5.006 -11.986   7.284
  731    HA   THR 103           HA       THR 103  -2.146 -12.216   7.956
  732    HB   THR 103           HB       THR 103  -3.735 -10.892   5.761
  733    HG1  THR 103           HG1      THR 103  -3.169 -12.883   5.215
  734   1HG2  THR 103          1HG2      THR 103  -0.902 -10.259   6.587
  735   2HG2  THR 103          3HG2      THR 103  -1.391 -10.148   4.896
  736   3HG2  THR 103          2HG2      THR 103  -2.187  -9.149   6.112
  737    H    LYS 104           H        LYS 104  -1.575 -11.060   9.776
  738    HA   LYS 104           HA       LYS 104  -2.868  -8.464  10.332
  739   1HB   LYS 104          1HB       LYS 104  -1.934 -10.327  12.029
  740   2HB   LYS 104          2HB       LYS 104  -0.450  -9.393  11.835
  741   1HG   LYS 104          1HG       LYS 104  -1.347  -8.138  13.521
  742   2HG   LYS 104          2HG       LYS 104  -2.225  -7.376  12.195
  743   1HD   LYS 104          1HD       LYS 104  -4.135  -8.004  13.211
  744   2HD   LYS 104          2HD       LYS 104  -3.714  -9.672  12.825
  745   1HE   LYS 104          1HE       LYS 104  -2.723  -8.230  15.297
  746   2HE   LYS 104          2HE       LYS 104  -4.158  -9.256  15.277
  747   1HZ   LYS 104          2HZ       LYS 104  -2.643 -11.014  14.302
  748   2HZ   LYS 104          1HZ       LYS 104  -1.346 -10.027  14.781
  749   3HZ   LYS 104          3HZ       LYS 104  -2.416 -10.643  15.944
  750    H    VAL 105           H        VAL 105  -1.839  -6.468   9.958
  751    HA   VAL 105           HA       VAL 105   1.010  -6.487   9.103
  752    HB   VAL 105           HB       VAL 105   0.565  -5.337   7.019
  753   1HG1  VAL 105          3HG1      VAL 105   0.286  -7.918   7.245
  754   2HG1  VAL 105          2HG1      VAL 105  -1.431  -7.596   7.021
  755   3HG1  VAL 105          1HG1      VAL 105  -0.278  -7.147   5.766
  756   1HG2  VAL 105          2HG2      VAL 105  -2.279  -5.313   8.016
  757   2HG2  VAL 105          1HG2      VAL 105  -1.323  -3.985   7.356
  758   3HG2  VAL 105          3HG2      VAL 105  -1.947  -5.241   6.285
  759    H    LYS 106           H        LYS 106   1.991  -4.425   9.411
  760    HA   LYS 106           HA       LYS 106   0.238  -2.409  10.741
  761   1HB   LYS 106          1HB       LYS 106   2.300  -1.309  11.534
  762   2HB   LYS 106          2HB       LYS 106   2.263  -2.988  12.056
  763   1HG   LYS 106          1HG       LYS 106   3.566  -2.674   9.471
  764   2HG   LYS 106          2HG       LYS 106   4.352  -1.727  10.722
  765   1HD   LYS 106          1HD       LYS 106   3.596  -4.617  11.162
  766   2HD   LYS 106          2HD       LYS 106   5.140  -4.162  10.439
  767   1HE   LYS 106          1HE       LYS 106   4.633  -2.547  12.782
  768   2HE   LYS 106          2HE       LYS 106   4.515  -4.259  13.190
  769   1HZ   LYS 106          3HZ       LYS 106   6.762  -3.149  11.614
  770   2HZ   LYS 106          2HZ       LYS 106   6.798  -3.242  13.309
  771   3HZ   LYS 106          1HZ       LYS 106   6.670  -4.659  12.382
  772    H    VAL 107           H        VAL 107  -0.520  -0.946   9.334
  773    HA   VAL 107           HA       VAL 107   0.759  -0.760   6.706
  774    HB   VAL 107           HB       VAL 107  -1.290  -0.050   5.931
  775   1HG1  VAL 107          3HG1      VAL 107  -1.669  -1.847   7.807
  776   2HG1  VAL 107          2HG1      VAL 107  -2.558  -0.525   8.558
  777   3HG1  VAL 107          1HG1      VAL 107  -3.019  -1.096   6.956
  778   1HG2  VAL 107          1HG2      VAL 107  -0.893   2.200   7.386
  779   2HG2  VAL 107          3HG2      VAL 107  -2.373   1.847   6.534
  780   3HG2  VAL 107          2HG2      VAL 107  -2.246   1.516   8.255
  781    H    HIS 108           H        HIS 108   1.192   1.244   5.681
  782    HA   HIS 108           HA       HIS 108   1.588   3.666   7.283
  783   1HB   HIS 108          1HB       HIS 108   3.681   2.194   7.680
  784   2HB   HIS 108          2HB       HIS 108   4.074   2.533   5.992
  785    HD1  HIS 108           HD1      HIS 108   5.877   3.686   8.223
  786    HD2  HIS 108           HD2      HIS 108   2.646   5.744   6.568
  787    HE1  HIS 108           HE1      HIS 108   6.302   6.147   8.645
  788    H    MET 109           H        MET 109   0.351   4.753   5.766
  789    HA   MET 109           HA       MET 109   1.222   4.558   2.920
  790   1HB   MET 109          1HB       MET 109  -1.259   6.023   3.298
  791   2HB   MET 109          2HB       MET 109  -0.980   4.572   2.352
  792   1HG   MET 109          2HG       MET 109  -2.485   3.734   3.890
  793   2HG   MET 109          1HG       MET 109  -1.000   3.426   4.781
  794   1HE   MET 109          2HE       MET 109  -4.234   4.532   4.635
  795   2HE   MET 109          1HE       MET 109  -4.564   5.721   5.895
  796   3HE   MET 109          3HE       MET 109  -3.940   6.241   4.323
  797    H    LYS 110           H        LYS 110   1.576   6.564   1.677
  798    HA   LYS 110           HA       LYS 110   1.450   9.037   3.359
  799   1HB   LYS 110          1HB       LYS 110   3.804   7.719   3.121
  800   2HB   LYS 110          2HB       LYS 110   3.902   8.759   1.704
  801   1HG   LYS 110          1HG       LYS 110   2.924  10.224   4.008
  802   2HG   LYS 110          2HG       LYS 110   4.461   9.451   4.370
  803   1HD   LYS 110          1HD       LYS 110   4.889  10.449   1.833
  804   2HD   LYS 110          2HD       LYS 110   3.888  11.700   2.573
  805   1HE   LYS 110          1HE       LYS 110   5.791  10.875   4.523
  806   2HE   LYS 110          2HE       LYS 110   6.667  11.160   3.019
  807   1HZ   LYS 110          3HZ       LYS 110   5.089  13.261   3.001
  808   2HZ   LYS 110          2HZ       LYS 110   5.165  13.026   4.682
  809   3HZ   LYS 110          1HZ       LYS 110   6.590  13.270   3.791
  810    H    LYS 111           H        LYS 111   2.377  10.910   1.675
  811    HA   LYS 111           HA       LYS 111   0.453  10.736  -0.555
  812   1HB   LYS 111          1HB       LYS 111   0.506  12.784   0.809
  813   2HB   LYS 111          2HB       LYS 111   2.200  13.035   0.380
  814   1HG   LYS 111          1HG       LYS 111   1.697  13.659  -1.790
  815   2HG   LYS 111          2HG       LYS 111   0.224  12.688  -1.838
  816   1HD   LYS 111          1HD       LYS 111  -0.470  14.987  -1.757
  817   2HD   LYS 111          2HD       LYS 111  -0.772  14.308  -0.157
  818   1HE   LYS 111          1HE       LYS 111   1.931  15.441  -0.509
  819   2HE   LYS 111          2HE       LYS 111   0.626  16.623  -0.608
  820   1HZ   LYS 111          3HZ       LYS 111  -0.246  15.672   1.488
  821   2HZ   LYS 111          2HZ       LYS 111   1.155  14.721   1.604
  822   3HZ   LYS 111          1HZ       LYS 111   1.269  16.415   1.656
  823    H    ALA 112           H        ALA 112   1.310   9.525  -2.178
  824    HA   ALA 112           HA       ALA 112   4.021   9.268  -2.908
  825   1HB   ALA 112          1HB       ALA 112   1.736   8.146  -3.742
  826   2HB   ALA 112          3HB       ALA 112   2.024   9.256  -5.079
  827   3HB   ALA 112          2HB       ALA 112   3.243   8.056  -4.659
  828    H    LEU 113           H        LEU 113   5.175  10.169  -4.737
  829    HA   LEU 113           HA       LEU 113   5.923  11.941  -6.066
  830   1HB   LEU 113          1HB       LEU 113   3.165  11.661  -6.593
  831   2HB   LEU 113          2HB       LEU 113   3.453  13.390  -6.393
  832    HG   LEU 113           HG       LEU 113   5.233  11.667  -8.121
  833   1HD1  LEU 113          1HD1      LEU 113   2.664  13.105  -8.822
  834   2HD1  LEU 113          3HD1      LEU 113   3.877  12.680 -10.031
  835   3HD1  LEU 113          2HD1      LEU 113   3.069  11.412  -9.110
  836   1HD2  LEU 113          3HD2      LEU 113   5.143  14.437  -7.293
  837   2HD2  LEU 113          2HD2      LEU 113   6.375  13.607  -8.244
  838   3HD2  LEU 113          1HD2      LEU 113   4.978  14.326  -9.045
  839    H    SER 114           H        SER 114   5.193  12.209  -3.014
  840    HA   SER 114           HA       SER 114   5.359  13.905  -1.403
  841   1HB   SER 114          1HB       SER 114   7.409  14.279  -3.139
  842   2HB   SER 114          2HB       SER 114   6.565  15.813  -3.332
  843    HG   SER 114           HG       SER 114   6.945  16.296  -1.270
  844    H    GLY 115           H        GLY 115   3.073  13.857  -3.439
  845   1HA   GLY 115          1HA       GLY 115   1.280  15.622  -2.632
  846   2HA   GLY 115          2HA       GLY 115   2.365  16.753  -3.434
  847    H    ASP 116           H        ASP 116   0.451  13.805  -4.031
  848    HA   ASP 116           HA       ASP 116  -0.819  14.767  -6.353
  849   1HB   ASP 116          1HB       ASP 116   1.867  14.335  -6.901
  850   2HB   ASP 116          2HB       ASP 116   1.093  12.861  -7.479
  851    H    SER 117           H        SER 117   0.880  11.693  -5.543
  852    HA   SER 117           HA       SER 117  -1.777  10.357  -5.847
  853   1HB   SER 117          1HB       SER 117   0.889   9.662  -6.728
  854   2HB   SER 117          2HB       SER 117   0.232   8.389  -5.703
  855    HG   SER 117           HG       SER 117  -1.066   9.591  -7.931
  856    H    TYR 118           H        TYR 118  -1.333   8.024  -4.463
  857    HA   TYR 118           HA       TYR 118  -0.436   8.730  -1.721
  858   1HB   TYR 118          1HB       TYR 118  -3.165   7.524  -2.004
  859   2HB   TYR 118          2HB       TYR 118  -2.542   8.497  -0.687
  860    HD1  TYR 118           HD2      TYR 118  -2.224  10.984  -1.044
  861    HD2  TYR 118           HD1      TYR 118  -4.295   8.452  -3.825
  862    HE1  TYR 118           HE2      TYR 118  -3.260  12.969  -2.092
  863    HE2  TYR 118           HE1      TYR 118  -5.327  10.422  -4.868
  864    HH   TYR 118           HH       TYR 118  -4.239  13.475  -4.523
  865    H    TRP 119           H        TRP 119   0.615   6.913  -0.906
  866    HA   TRP 119           HA       TRP 119  -0.232   4.314  -2.036
  867   1HB   TRP 119          1HB       TRP 119   2.168   3.587  -1.784
  868   2HB   TRP 119          2HB       TRP 119   1.801   4.687  -3.101
  869    HD1  TRP 119           HD1      TRP 119   3.233   6.780  -3.218
  870    HE1  TRP 119           HE1      TRP 119   4.962   7.909  -1.681
  871    HE3  TRP 119           HE3      TRP 119   2.524   4.011   0.870
  872    HZ2  TRP 119           HZ2      TRP 119   5.928   7.615   1.013
  873    HZ3  TRP 119           HZ3      TRP 119   3.851   4.399   2.953
  874    HH2  TRP 119           HH2      TRP 119   5.550   6.198   3.018
  875    H    VAL 120           H        VAL 120  -0.188   2.486  -0.766
  876    HA   VAL 120           HA       VAL 120   0.110   3.020   2.157
  877    HB   VAL 120           HB       VAL 120  -1.861   1.058   0.925
  878   1HG1  VAL 120          2HG1      VAL 120  -1.042   1.862   3.630
  879   2HG1  VAL 120          1HG1      VAL 120  -2.787   1.917   3.376
  880   3HG1  VAL 120          3HG1      VAL 120  -1.902   0.420   3.093
  881   1HG2  VAL 120          2HG2      VAL 120  -1.968   3.892   0.825
  882   2HG2  VAL 120          1HG2      VAL 120  -3.266   2.755   0.464
  883   3HG2  VAL 120          3HG2      VAL 120  -3.086   3.395   2.096
  884    H    PHE 121           H        PHE 121   1.942   1.964   2.754
  885    HA   PHE 121           HA       PHE 121   2.698  -0.564   1.445
  886   1HB   PHE 121          1HB       PHE 121   4.115   0.854   3.739
  887   2HB   PHE 121          2HB       PHE 121   4.770  -0.433   2.729
  888    HD1  PHE 121           HD2      PHE 121   3.147   0.995   0.238
  889    HD2  PHE 121           HD1      PHE 121   6.209   2.161   3.020
  890    HE1  PHE 121           HE2      PHE 121   3.967   2.687  -1.375
  891    HE2  PHE 121           HE1      PHE 121   6.976   3.890   1.430
  892    HZ   PHE 121           HZ       PHE 121   5.867   4.141  -0.766
  893    H    VAL 122           H        VAL 122   2.138  -2.499   2.286
  894    HA   VAL 122           HA       VAL 122   1.080  -2.491   5.059
  895    HB   VAL 122           HB       VAL 122   0.405  -3.965   2.568
  896   1HG1  VAL 122          2HG1      VAL 122   0.787  -5.395   5.172
  897   2HG1  VAL 122          1HG1      VAL 122  -0.618  -5.806   4.196
  898   3HG1  VAL 122          3HG1      VAL 122   1.004  -5.992   3.531
  899   1HG2  VAL 122          2HG2      VAL 122  -0.841  -2.364   4.483
  900   2HG2  VAL 122          1HG2      VAL 122  -1.628  -3.234   3.167
  901   3HG2  VAL 122          3HG2      VAL 122  -1.501  -3.976   4.762
  902    H    LYS 123           H        LYS 123   2.562  -3.132   6.505
  903    HA   LYS 123           HA       LYS 123   4.828  -4.844   5.643
  904   1HB   LYS 123          1HB       LYS 123   4.983  -2.794   7.260
  905   2HB   LYS 123          2HB       LYS 123   4.356  -3.924   8.462
  906   1HG   LYS 123          1HG       LYS 123   6.712  -4.092   8.659
  907   2HG   LYS 123          2HG       LYS 123   6.230  -5.511   7.726
  908   1HD   LYS 123          1HD       LYS 123   7.457  -4.836   5.965
  909   2HD   LYS 123          2HD       LYS 123   6.666  -3.271   5.970
  910   1HE   LYS 123          1HE       LYS 123   8.790  -2.557   6.448
  911   2HE   LYS 123          2HE       LYS 123   8.243  -2.900   8.087
  912   1HZ   LYS 123          3HZ       LYS 123   9.171  -5.291   6.979
  913   2HZ   LYS 123          2HZ       LYS 123  10.343  -4.100   6.670
  914   3HZ   LYS 123          1HZ       LYS 123   9.837  -4.405   8.263
  915    H    ARG 124           H        ARG 124   4.376  -7.012   5.599
  916    HA   ARG 124           HA       ARG 124   2.175  -8.114   7.107
  917   1HB   ARG 124          1HB       ARG 124   4.492  -9.765   6.063
  918   2HB   ARG 124          2HB       ARG 124   2.795 -10.224   6.202
  919   1HG   ARG 124          1HG       ARG 124   2.338  -8.313   4.525
  920   2HG   ARG 124          2HG       ARG 124   4.073  -8.362   4.203
  921   1HD   ARG 124          1HD       ARG 124   2.829 -11.020   4.229
  922   2HD   ARG 124          2HD       ARG 124   2.182  -9.962   2.974
  923    HE   ARG 124           HE       ARG 124   4.197 -10.337   1.835
  924   1HH1  ARG 124          1HH2      ARG 124   4.610 -11.749   4.825
  925   2HH1  ARG 124          2HH2      ARG 124   6.323 -11.507   4.912
  926   1HH2  ARG 124          2HH1      ARG 124   6.443  -9.463   2.115
  927   2HH2  ARG 124          1HH1      ARG 124   7.361 -10.214   3.378
  928    H    VAL 125           H        VAL 125   2.200  -8.110   9.255
  929    HA   VAL 125           HA       VAL 125   4.691  -8.292  10.774
  930    HB   VAL 125           HB       VAL 125   2.186  -8.655  12.296
  931   1HG1  VAL 125          3HG1      VAL 125   4.789  -7.428  12.510
  932   2HG1  VAL 125          2HG1      VAL 125   3.533  -6.281  12.979
  933   3HG1  VAL 125          1HG1      VAL 125   3.646  -7.844  13.787
  934   1HG2  VAL 125          2HG2      VAL 125   2.484  -6.409  10.344
  935   2HG2  VAL 125          1HG2      VAL 125   1.018  -7.187  10.941
  936   3HG2  VAL 125          3HG2      VAL 125   1.870  -6.020  11.952
  937    H2   HC4  69           H2       HC4  69  -7.051  -4.879   2.918
  938    H3   HC4  69           H3       HC4  69  -8.059  -7.674   2.249
  939    H2'  HC4  69           H2'      HC4  69  -6.534  -8.937   0.848
  940    H3'  HC4  69           H3'      HC4  69  -4.436  -9.156  -0.446
  941    H5'  HC4  69           H5'      HC4  69  -3.325  -5.131   0.613
  942    H6'  HC4  69           H6'      HC4  69  -5.445  -4.900   1.899
   
  No H/Q in entry =         942
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1  12.321  11.183  14.781
    2   2H    MET   1           H3       MET   1  13.077  10.695  16.219
    3   3H    MET   1           H2       MET   1  13.993  11.410  14.979
    4    HA   MET   1           HA       MET   1  14.508   9.276  14.523
    5   1HB   MET   1          1HB       MET   1  11.872   8.709  15.870
    6   2HB   MET   1          2HB       MET   1  12.688   7.457  14.931
    7   1HG   MET   1          2HG       MET   1  14.641   7.566  16.327
    8   2HG   MET   1          1HG       MET   1  14.055   9.020  17.135
    9   1HE   MET   1          3HE       MET   1  14.847   7.532  19.220
   10   2HE   MET   1          2HE       MET   1  14.037   6.064  19.761
   11   3HE   MET   1          1HE       MET   1  15.027   6.029  18.305
   12    H    GLU   2           H        GLU   2  13.855  10.924  12.561
   13    HA   GLU   2           HA       GLU   2  11.545  10.054  11.012
   14   1HB   GLU   2          1HB       GLU   2  13.204  12.277  10.972
   15   2HB   GLU   2          2HB       GLU   2  13.671  11.404   9.513
   16   1HG   GLU   2          1HG       GLU   2  10.933  11.202   9.425
   17   2HG   GLU   2          2HG       GLU   2  11.152  12.801  10.138
   18    H    HIS   3           H        HIS   3  11.568   8.704   9.175
   19    HA   HIS   3           HA       HIS   3  13.980   7.661   8.010
   20   1HB   HIS   3          1HB       HIS   3  13.853   5.347   8.821
   21   2HB   HIS   3          2HB       HIS   3  14.109   6.457  10.164
   22    HD1  HIS   3           HD1      HIS   3  10.718   7.017   9.418
   23    HD2  HIS   3           HD2      HIS   3  12.723   3.831  11.206
   24    HE1  HIS   3           HE1      HIS   3   8.988   5.744  10.753
   25    H    VAL   4           H        VAL   4  13.193   5.336   6.888
   26    HA   VAL   4           HA       VAL   4  10.888   6.206   5.253
   27    HB   VAL   4           HB       VAL   4  12.530   3.699   4.863
   28   1HG1  VAL   4          1HG1      VAL   4  10.318   4.845   3.543
   29   2HG1  VAL   4          3HG1      VAL   4  11.706   5.160   2.508
   30   3HG1  VAL   4          2HG1      VAL   4  11.316   3.507   2.974
   31   1HG2  VAL   4          1HG2      VAL   4  13.948   5.823   5.085
   32   2HG2  VAL   4          3HG2      VAL   4  14.116   4.931   3.572
   33   3HG2  VAL   4          2HG2      VAL   4  13.134   6.395   3.629
   34    H    ALA   5           H        ALA   5   8.944   5.667   6.157
   35    HA   ALA   5           HA       ALA   5   7.308   4.398   7.301
   36   1HB   ALA   5          3HB       ALA   5   7.709   3.414   4.879
   37   2HB   ALA   5          2HB       ALA   5   8.330   2.028   5.775
   38   3HB   ALA   5          1HB       ALA   5   6.671   2.563   6.020
   39    H    PHE   6           H        PHE   6   7.294   1.616   7.819
   40    HA   PHE   6           HA       PHE   6   8.385   1.394  10.405
   41   1HB   PHE   6          1HB       PHE   6   8.499  -1.133   8.874
   42   2HB   PHE   6          2HB       PHE   6   7.680  -0.781  10.386
   43    HD1  PHE   6           HD1      PHE   6   5.450   0.363  10.360
   44    HD2  PHE   6           HD2      PHE   6   7.340  -1.040   6.754
   45    HE1  PHE   6           HE1      PHE   6   3.288   0.503   9.158
   46    HE2  PHE   6           HE2      PHE   6   5.156  -0.913   5.572
   47    HZ   PHE   6           HZ       PHE   6   3.156  -0.138   6.778
   48    H    GLY   7           H        GLY   7   9.715   0.095   7.388
   49   1HA   GLY   7          1HA       GLY   7  12.441   0.822   8.092
   50   2HA   GLY   7          2HA       GLY   7  12.149  -0.920   8.175
   51    H    SER   8           H        SER   8  10.442   1.176   5.965
   52    HA   SER   8           HA       SER   8  10.900  -0.442   3.712
   53   1HB   SER   8          1HB       SER   8  10.359   1.880   2.518
   54   2HB   SER   8          2HB       SER   8   9.109   0.960   3.340
   55    HG   SER   8           HG       SER   8   9.343   3.245   3.910
   56    H    GLU   9           H        GLU   9  12.131  -0.026   1.790
   57    HA   GLU   9           HA       GLU   9  14.800   1.148   2.359
   58   1HB   GLU   9          1HB       GLU   9  13.732  -1.013   0.696
   59   2HB   GLU   9          2HB       GLU   9  14.812   0.045  -0.211
   60   1HG   GLU   9          1HG       GLU   9  16.237  -0.219   2.083
   61   2HG   GLU   9          2HG       GLU   9  15.419  -1.782   2.044
   62    H    ASP  10           H        ASP  10  13.224   3.276   2.172
   63    HA   ASP  10           HA       ASP  10  12.682   5.185   0.884
   64   1HB   ASP  10          1HB       ASP  10  14.798   4.099  -1.000
   65   2HB   ASP  10          2HB       ASP  10  14.260   5.774  -0.860
   66    H    ILE  11           H        ILE  11  10.587   4.132   0.430
   67    HA   ILE  11           HA       ILE  11  10.328   2.596  -2.029
   68    HB   ILE  11           HB       ILE  11   8.018   3.696  -0.582
   69   1HG1  ILE  11          1HG1      ILE  11   9.464   2.891   1.219
   70   2HG1  ILE  11          2HG1      ILE  11   8.107   1.792   0.998
   71   1HG2  ILE  11          2HG2      ILE  11   8.340   1.968  -2.670
   72   2HG2  ILE  11          1HG2      ILE  11   8.137   0.874  -1.305
   73   3HG2  ILE  11          3HG2      ILE  11   6.896   2.071  -1.663
   74   1HD1  ILE  11          1HD1      ILE  11  10.385   1.153  -0.728
   75   2HD1  ILE  11          3HD1      ILE  11  10.758   1.033   0.985
   76   3HD1  ILE  11          2HD1      ILE  11   9.429   0.109   0.308
   77    H    GLU  12           H        GLU  12   8.899   5.674  -0.906
   78    HA   GLU  12           HA       GLU  12   7.568   6.448  -3.148
   79   1HB   GLU  12          1HB       GLU  12   8.249   8.834  -2.617
   80   2HB   GLU  12          2HB       GLU  12   7.626   7.920  -1.243
   81   1HG   GLU  12          1HG       GLU  12   9.630   7.933  -0.167
   82   2HG   GLU  12          2HG       GLU  12  10.538   7.668  -1.656
   83    H    ASN  13           H        ASN  13  11.075   6.282  -2.914
   84    HA   ASN  13           HA       ASN  13  11.399   7.601  -5.545
   85   1HB   ASN  13          1HB       ASN  13  13.285   6.523  -3.456
   86   2HB   ASN  13          2HB       ASN  13  13.863   6.830  -5.093
   87   1HD2  ASN  13          2HD2      ASN  13  14.161  10.280  -4.507
   88   2HD2  ASN  13          1HD2      ASN  13  14.652   8.916  -5.389
   89    H    THR  14           H        THR  14  11.713   4.425  -4.031
   90    HA   THR  14           HA       THR  14  12.564   3.009  -6.396
   91    HB   THR  14           HB       THR  14  11.335   2.194  -3.750
   92    HG1  THR  14           HG1      THR  14  13.399   1.384  -3.436
   93   1HG2  THR  14          1HG2      THR  14  12.027   0.440  -6.115
   94   2HG2  THR  14          3HG2      THR  14  11.941  -0.174  -4.465
   95   3HG2  THR  14          2HG2      THR  14  10.506   0.511  -5.224
   96    H    LEU  15           H        LEU  15   9.580   4.402  -5.567
   97    HA   LEU  15           HA       LEU  15   8.010   2.445  -7.130
   98   1HB   LEU  15          1HB       LEU  15   7.077   4.888  -5.592
   99   2HB   LEU  15          2HB       LEU  15   6.057   3.607  -6.248
  100    HG   LEU  15           HG       LEU  15   8.255   2.981  -4.303
  101   1HD1  LEU  15          2HD1      LEU  15   5.966   4.588  -3.739
  102   2HD1  LEU  15          1HD1      LEU  15   5.728   3.013  -2.982
  103   3HD1  LEU  15          3HD1      LEU  15   7.162   3.964  -2.606
  104   1HD2  LEU  15          3HD2      LEU  15   6.748   1.337  -5.777
  105   2HD2  LEU  15          2HD2      LEU  15   7.250   0.918  -4.140
  106   3HD2  LEU  15          1HD2      LEU  15   5.637   1.569  -4.428
  107    H    ALA  16           H        ALA  16   9.396   5.625  -7.302
  108    HA   ALA  16           HA       ALA  16   7.823   6.322  -9.706
  109   1HB   ALA  16          2HB       ALA  16   9.632   7.761  -7.829
  110   2HB   ALA  16          1HB       ALA  16   9.592   8.339  -9.496
  111   3HB   ALA  16          3HB       ALA  16   8.107   8.287  -8.545
  112    H    LYS  17           H        LYS  17  10.813   4.822  -8.892
  113    HA   LYS  17           HA       LYS  17  11.661   5.075 -11.747
  114   1HB   LYS  17          1HB       LYS  17  13.021   6.247  -9.713
  115   2HB   LYS  17          2HB       LYS  17  13.780   4.656  -9.716
  116   1HG   LYS  17          1HG       LYS  17  15.068   5.933 -11.246
  117   2HG   LYS  17          2HG       LYS  17  14.004   4.959 -12.262
  118   1HD   LYS  17          1HD       LYS  17  12.739   6.766 -12.916
  119   2HD   LYS  17          2HD       LYS  17  12.974   7.613 -11.386
  120   1HE   LYS  17          1HE       LYS  17  14.172   8.743 -13.236
  121   2HE   LYS  17          2HE       LYS  17  15.292   8.139 -12.015
  122   1HZ   LYS  17          2HZ       LYS  17  15.634   6.164 -13.389
  123   2HZ   LYS  17          1HZ       LYS  17  14.609   6.808 -14.579
  124   3HZ   LYS  17          3HZ       LYS  17  16.072   7.583 -14.214
  125    H    MET  18           H        MET  18  10.135   2.958 -11.247
  126    HA   MET  18           HA       MET  18  11.279   0.655 -10.080
  127   1HB   MET  18          1HB       MET  18   9.102   1.265 -11.959
  128   2HB   MET  18          2HB       MET  18   9.840  -0.312 -12.237
  129   1HG   MET  18          2HG       MET  18   8.263  -0.873 -10.635
  130   2HG   MET  18          1HG       MET  18   9.640  -0.500  -9.601
  131   1HE   MET  18          2HE       MET  18   7.207  -0.732  -8.360
  132   2HE   MET  18          1HE       MET  18   8.274   0.238  -7.348
  133   3HE   MET  18          3HE       MET  18   6.600   0.744  -7.612
  134    H    ASP  19           H        ASP  19  12.502  -1.051 -11.033
  135    HA   ASP  19           HA       ASP  19  13.378  -1.245 -13.704
  136   1HB   ASP  19          1HB       ASP  19  14.653   0.928 -12.247
  137   2HB   ASP  19          2HB       ASP  19  15.838  -0.253 -12.804
  138    H    ASP  20           H        ASP  20  14.665  -1.394 -10.373
  139    HA   ASP  20           HA       ASP  20  16.151  -3.855 -11.033
  140   1HB   ASP  20          1HB       ASP  20  17.177  -2.171  -9.522
  141   2HB   ASP  20          2HB       ASP  20  15.844  -2.396  -8.387
  142    H    GLY  21           H        GLY  21  13.829  -4.672 -11.584
  143   1HA   GLY  21          1HA       GLY  21  12.175  -6.253 -11.040
  144   2HA   GLY  21          2HA       GLY  21  13.051  -6.544  -9.531
  145    H    GLN  22           H        GLN  22  12.285  -3.258 -10.173
  146    HA   GLN  22           HA       GLN  22  10.950  -1.761  -8.991
  147   1HB   GLN  22          1HB       GLN  22   8.877  -3.949  -9.103
  148   2HB   GLN  22          2HB       GLN  22   8.622  -2.205  -9.133
  149   1HG   GLN  22          1HG       GLN  22   9.822  -2.113 -11.325
  150   2HG   GLN  22          2HG       GLN  22   9.923  -3.874 -11.304
  151   1HE2  GLN  22          2HE2      GLN  22   6.818  -2.735 -13.162
  152   2HE2  GLN  22          1HE2      GLN  22   8.455  -2.311 -13.307
  153    H    LEU  23           H        LEU  23  12.567  -3.720  -7.461
  154    HA   LEU  23           HA       LEU  23  12.808  -4.486  -5.255
  155   1HB   LEU  23          1HB       LEU  23  11.380  -1.895  -5.144
  156   2HB   LEU  23          2HB       LEU  23  11.246  -2.881  -3.689
  157    HG   LEU  23           HG       LEU  23  13.853  -3.208  -4.076
  158   1HD1  LEU  23          3HD1      LEU  23  13.113  -1.171  -5.989
  159   2HD1  LEU  23          2HD1      LEU  23  14.232  -0.506  -4.800
  160   3HD1  LEU  23          1HD1      LEU  23  14.683  -1.932  -5.735
  161   1HD2  LEU  23          3HD2      LEU  23  12.304  -1.011  -2.759
  162   2HD2  LEU  23          2HD2      LEU  23  13.297  -2.273  -2.031
  163   3HD2  LEU  23          1HD2      LEU  23  14.063  -0.880  -2.796
  164    H    ASP  24           H        ASP  24  11.327  -6.304  -6.306
  165    HA   ASP  24           HA       ASP  24   8.637  -6.437  -5.137
  166   1HB   ASP  24          1HB       ASP  24  10.283  -8.243  -6.899
  167   2HB   ASP  24          2HB       ASP  24   8.803  -8.833  -6.141
  168    H    GLY  25           H        GLY  25  11.709  -6.971  -3.921
  169   1HA   GLY  25          1HA       GLY  25  10.887  -9.265  -2.226
  170   2HA   GLY  25          2HA       GLY  25  12.524  -8.614  -2.347
  171    H    LEU  26           H        LEU  26   9.722  -6.562  -1.956
  172    HA   LEU  26           HA       LEU  26  10.849  -5.392   0.450
  173   1HB   LEU  26          1HB       LEU  26   8.347  -4.883  -1.172
  174   2HB   LEU  26          2HB       LEU  26   8.650  -4.057   0.355
  175    HG   LEU  26           HG       LEU  26  10.720  -4.066  -1.839
  176   1HD1  LEU  26          1HD1      LEU  26   8.112  -2.855  -1.938
  177   2HD1  LEU  26          3HD1      LEU  26   9.326  -1.584  -1.789
  178   3HD1  LEU  26          2HD1      LEU  26   9.416  -2.740  -3.116
  179   1HD2  LEU  26          3HD2      LEU  26  10.902  -3.270   0.726
  180   2HD2  LEU  26          2HD2      LEU  26  11.741  -2.426  -0.577
  181   3HD2  LEU  26          1HD2      LEU  26  10.212  -1.801   0.036
  182    H    ALA  27           H        ALA  27  10.341  -5.996   2.455
  183    HA   ALA  27           HA       ALA  27   8.710  -8.249   3.081
  184   1HB   ALA  27          1HB       ALA  27  10.053  -6.096   4.631
  185   2HB   ALA  27          3HB       ALA  27   8.725  -6.924   5.442
  186   3HB   ALA  27          2HB       ALA  27  10.110  -7.844   4.854
  187    H    PHE  28           H        PHE  28   7.840  -5.040   2.273
  188    HA   PHE  28           HA       PHE  28   5.067  -5.580   3.189
  189   1HB   PHE  28          1HB       PHE  28   4.868  -3.048   3.387
  190   2HB   PHE  28          2HB       PHE  28   5.875  -3.815   4.603
  191    HD1  PHE  28           HD1      PHE  28   8.354  -3.768   4.403
  192    HD2  PHE  28           HD2      PHE  28   5.793  -1.565   1.765
  193    HE1  PHE  28           HE1      PHE  28  10.285  -2.390   3.686
  194    HE2  PHE  28           HE2      PHE  28   7.716  -0.176   1.053
  195    HZ   PHE  28           HZ       PHE  28   9.971  -0.593   2.016
  196    H    GLY  29           H        GLY  29   3.457  -4.812   1.758
  197   1HA   GLY  29          1HA       GLY  29   4.267  -4.757  -1.036
  198   2HA   GLY  29          2HA       GLY  29   2.624  -4.598  -0.414
  199    H    ALA  30           H        ALA  30   3.970  -2.881  -2.468
  200    HA   ALA  30           HA       ALA  30   3.673  -0.306  -0.958
  201   1HB   ALA  30          1HB       ALA  30   5.550  -0.863  -3.286
  202   2HB   ALA  30          3HB       ALA  30   5.270   0.726  -2.573
  203   3HB   ALA  30          2HB       ALA  30   6.029  -0.546  -1.618
  204    H    ILE  31           H        ILE  31   1.472  -0.189  -1.506
  205    HA   ILE  31           HA       ILE  31   0.780  -0.329  -4.374
  206    HB   ILE  31           HB       ILE  31  -1.459  -0.611  -3.726
  207   1HG1  ILE  31          1HG1      ILE  31  -2.026  -0.166  -1.189
  208   2HG1  ILE  31          2HG1      ILE  31  -0.675   0.964  -1.299
  209   1HG2  ILE  31          2HG2      ILE  31   0.200  -1.660  -1.420
  210   2HG2  ILE  31          1HG2      ILE  31  -1.436  -2.189  -1.817
  211   3HG2  ILE  31          3HG2      ILE  31  -0.116  -2.483  -2.938
  212   1HD1  ILE  31          1HD1      ILE  31  -2.212   1.393  -3.622
  213   2HD1  ILE  31          3HD1      ILE  31  -3.375   1.254  -2.303
  214   3HD1  ILE  31          2HD1      ILE  31  -2.088   2.457  -2.222
  215    H    GLN  32           H        GLN  32  -0.006   1.385  -5.551
  216    HA   GLN  32           HA       GLN  32   0.156   4.061  -4.223
  217   1HB   GLN  32          1HB       GLN  32   0.225   3.983  -7.176
  218   2HB   GLN  32          2HB       GLN  32   1.184   4.948  -6.063
  219   1HG   GLN  32          1HG       GLN  32   1.633   2.031  -6.752
  220   2HG   GLN  32          2HG       GLN  32   2.640   3.386  -7.258
  221   1HE2  GLN  32          2HE2      GLN  32   3.474   3.890  -3.593
  222   2HE2  GLN  32          1HE2      GLN  32   2.573   4.809  -4.698
  223    H    LEU  33           H        LEU  33  -1.439   5.655  -5.371
  224    HA   LEU  33           HA       LEU  33  -3.747   4.274  -6.583
  225   1HB   LEU  33          1HB       LEU  33  -3.861   5.663  -3.887
  226   2HB   LEU  33          2HB       LEU  33  -5.292   5.317  -4.851
  227    HG   LEU  33           HG       LEU  33  -3.298   3.250  -3.883
  228   1HD1  LEU  33          2HD1      LEU  33  -6.008   4.134  -2.902
  229   2HD1  LEU  33          1HD1      LEU  33  -5.392   2.516  -2.564
  230   3HD1  LEU  33          3HD1      LEU  33  -4.519   3.932  -1.979
  231   1HD2  LEU  33          3HD2      LEU  33  -5.266   3.212  -5.974
  232   2HD2  LEU  33          2HD2      LEU  33  -4.236   1.892  -5.419
  233   3HD2  LEU  33          1HD2      LEU  33  -5.810   2.155  -4.672
  234    H    ASP  34           H        ASP  34  -5.104   5.730  -7.716
  235    HA   ASP  34           HA       ASP  34  -4.267   8.598  -7.624
  236   1HB   ASP  34          1HB       ASP  34  -4.777   6.822  -9.980
  237   2HB   ASP  34          2HB       ASP  34  -5.145   8.542 -10.098
  238    H    GLY  35           H        GLY  35  -5.833   9.863  -7.085
  239   1HA   GLY  35          1HA       GLY  35  -7.892  10.620  -6.303
  240   2HA   GLY  35          2HA       GLY  35  -8.305  10.376  -7.992
  241    H    ASP  36           H        ASP  36  -9.142   8.214  -8.532
  242    HA   ASP  36           HA       ASP  36 -11.301   7.507  -6.761
  243   1HB   ASP  36          1HB       ASP  36 -10.606   7.042  -9.474
  244   2HB   ASP  36          2HB       ASP  36 -10.867   5.464  -8.728
  245    H    GLY  37           H        GLY  37  -8.087   6.636  -6.574
  246   1HA   GLY  37          1HA       GLY  37  -7.185   5.141  -4.952
  247   2HA   GLY  37          2HA       GLY  37  -8.772   4.391  -4.797
  248    H    ASN  38           H        ASN  38  -7.588   4.928  -8.014
  249    HA   ASN  38           HA       ASN  38  -7.596   2.049  -8.514
  250   1HB   ASN  38          1HB       ASN  38  -6.567   4.248 -10.332
  251   2HB   ASN  38          2HB       ASN  38  -7.081   2.628 -10.804
  252   1HD2  ASN  38          2HD2      ASN  38  -9.868   5.234 -11.200
  253   2HD2  ASN  38          1HD2      ASN  38  -8.226   5.314 -11.617
  254    H    ILE  39           H        ILE  39  -5.827   0.707  -8.384
  255    HA   ILE  39           HA       ILE  39  -3.421   1.625  -7.183
  256    HB   ILE  39           HB       ILE  39  -4.498  -0.871  -7.766
  257   1HG1  ILE  39          1HG1      ILE  39  -1.929  -1.451  -6.922
  258   2HG1  ILE  39          2HG1      ILE  39  -2.122   0.230  -6.419
  259   1HG2  ILE  39          1HG2      ILE  39  -3.262  -0.611 -10.038
  260   2HG2  ILE  39          3HG2      ILE  39  -1.806  -0.920  -9.095
  261   3HG2  ILE  39          2HG2      ILE  39  -3.095  -2.122  -9.147
  262   1HD1  ILE  39          1HD1      ILE  39  -4.263  -1.827  -5.867
  263   2HD1  ILE  39          3HD1      ILE  39  -2.904  -1.599  -4.768
  264   3HD1  ILE  39          2HD1      ILE  39  -4.014  -0.267  -5.083
  265    H    LEU  40           H        LEU  40  -1.497   2.273  -7.965
  266    HA   LEU  40           HA       LEU  40  -1.297   2.697 -10.915
  267   1HB   LEU  40          1HB       LEU  40   0.590   4.047  -9.026
  268   2HB   LEU  40          2HB       LEU  40  -0.093   4.640 -10.535
  269    HG   LEU  40           HG       LEU  40  -1.717   4.292  -7.993
  270   1HD1  LEU  40          3HD1      LEU  40  -0.263   6.686  -9.127
  271   2HD1  LEU  40          2HD1      LEU  40  -1.608   6.839  -7.998
  272   3HD1  LEU  40          1HD1      LEU  40  -0.138   6.004  -7.505
  273   1HD2  LEU  40          2HD2      LEU  40  -2.237   5.707 -10.625
  274   2HD2  LEU  40          1HD2      LEU  40  -3.019   4.229 -10.063
  275   3HD2  LEU  40          3HD2      LEU  40  -3.306   5.753  -9.223
  276    H    GLN  41           H        GLN  41   0.069   1.240  -8.076
  277    HA   GLN  41           HA       GLN  41   1.767  -0.514  -9.675
  278   1HB   GLN  41          1HB       GLN  41   3.114   1.653  -9.283
  279   2HB   GLN  41          2HB       GLN  41   3.147   1.196  -7.589
  280   1HG   GLN  41          1HG       GLN  41   4.116  -0.583  -9.841
  281   2HG   GLN  41          2HG       GLN  41   5.170   0.442  -8.872
  282   1HE2  GLN  41          2HE2      GLN  41   4.003  -1.626  -5.879
  283   2HE2  GLN  41          1HE2      GLN  41   3.741  -0.015  -6.318
  284    H    TYR  42           H        TYR  42   2.129  -2.454  -8.487
  285    HA   TYR  42           HA       TYR  42   1.066  -2.442  -5.683
  286   1HB   TYR  42          1HB       TYR  42  -0.292  -3.604  -7.573
  287   2HB   TYR  42          2HB       TYR  42   0.953  -4.850  -7.492
  288    HD1  TYR  42           HD1      TYR  42  -0.769  -2.748  -4.924
  289    HD2  TYR  42           HD2      TYR  42   0.172  -6.698  -6.294
  290    HE1  TYR  42           HE1      TYR  42  -1.883  -3.700  -2.914
  291    HE2  TYR  42           HE2      TYR  42  -0.952  -7.659  -4.298
  292    HH   TYR  42           HH       TYR  42  -1.674  -7.100  -2.157
  293    H    ASN  43           H        ASN  43   2.902  -4.647  -7.792
  294    HA   ASN  43           HA       ASN  43   5.180  -5.333  -7.537
  295   1HB   ASN  43          1HB       ASN  43   6.484  -4.905  -5.679
  296   2HB   ASN  43          2HB       ASN  43   5.307  -3.610  -5.516
  297   1HD2  ASN  43          2HD2      ASN  43   5.682  -5.525  -2.261
  298   2HD2  ASN  43          1HD2      ASN  43   6.816  -4.816  -3.305
  299    H    ALA  44           H        ALA  44   6.091  -7.365  -6.174
  300    HA   ALA  44           HA       ALA  44   3.829  -9.280  -6.246
  301   1HB   ALA  44          2HB       ALA  44   6.170  -9.498  -7.446
  302   2HB   ALA  44          1HB       ALA  44   6.669 -10.143  -5.881
  303   3HB   ALA  44          3HB       ALA  44   5.367 -10.921  -6.781
  304    H    ALA  45           H        ALA  45   5.897  -7.825  -3.835
  305    HA   ALA  45           HA       ALA  45   5.938  -9.897  -1.901
  306   1HB   ALA  45          1HB       ALA  45   6.870  -7.365  -1.899
  307   2HB   ALA  45          3HB       ALA  45   5.434  -7.140  -0.901
  308   3HB   ALA  45          2HB       ALA  45   6.669  -8.301  -0.418
  309    H    GLU  46           H        GLU  46   3.656  -7.185  -1.912
  310    HA   GLU  46           HA       GLU  46   1.864  -8.353  -0.030
  311   1HB   GLU  46          1HB       GLU  46   0.122  -6.823  -1.395
  312   2HB   GLU  46          2HB       GLU  46   1.265  -6.159  -0.251
  313   1HG   GLU  46          1HG       GLU  46   2.836  -5.711  -2.127
  314   2HG   GLU  46          2HG       GLU  46   1.596  -6.264  -3.254
  315    HE2  GLU  46           HE1      GLU  46   1.359  -3.363  -3.830
  316    H    GLY  47           H        GLY  47   1.616  -8.167  -3.549
  317   1HA   GLY  47          1HA       GLY  47  -0.726  -9.760  -3.809
  318   2HA   GLY  47          2HA       GLY  47   0.503  -9.587  -5.067
  319    H    ASP  48           H        ASP  48   2.434 -10.715  -2.798
  320    HA   ASP  48           HA       ASP  48   2.109 -13.498  -3.696
  321   1HB   ASP  48          1HB       ASP  48   4.240 -11.898  -2.362
  322   2HB   ASP  48          2HB       ASP  48   4.225 -13.635  -2.057
  323    H    ILE  49           H        ILE  49   1.677 -11.613  -0.736
  324    HA   ILE  49           HA       ILE  49   1.336 -13.985   0.906
  325    HB   ILE  49           HB       ILE  49   1.439 -11.077   1.256
  326   1HG1  ILE  49          1HG1      ILE  49   2.670 -11.984   3.370
  327   2HG1  ILE  49          2HG1      ILE  49   2.583 -13.530   2.527
  328   1HG2  ILE  49          2HG2      ILE  49  -0.383 -12.781   2.844
  329   2HG2  ILE  49          1HG2      ILE  49   0.656 -11.686   3.752
  330   3HG2  ILE  49          3HG2      ILE  49  -0.446 -11.046   2.535
  331   1HD1  ILE  49          1HD1      ILE  49   3.656 -11.024   1.216
  332   2HD1  ILE  49          3HD1      ILE  49   4.688 -12.152   2.094
  333   3HD1  ILE  49          2HD1      ILE  49   3.816 -12.690   0.659
  334    H    THR  50           H        THR  50  -0.696 -11.554  -0.637
  335    HA   THR  50           HA       THR  50  -3.122 -12.997   0.300
  336    HB   THR  50           HB       THR  50  -4.297 -11.023   0.146
  337    HG1  THR  50           HG1      THR  50  -2.533  -9.982  -1.791
  338   1HG2  THR  50          1HG2      THR  50  -1.867 -10.700   1.291
  339   2HG2  THR  50          3HG2      THR  50  -1.781  -9.458   0.044
  340   3HG2  THR  50          2HG2      THR  50  -3.082  -9.425   1.234
  341    H    GLY  51           H        GLY  51  -1.170 -12.493  -2.489
  342   1HA   GLY  51          1HA       GLY  51  -1.371 -13.793  -4.486
  343   2HA   GLY  51          2HA       GLY  51  -3.052 -14.105  -4.071
  344    H    ARG  52           H        ARG  52  -2.746 -10.896  -3.519
  345    HA   ARG  52           HA       ARG  52  -4.294 -10.070  -5.746
  346   1HB   ARG  52          1HB       ARG  52  -2.623  -8.660  -3.701
  347   2HB   ARG  52          2HB       ARG  52  -3.218  -7.743  -5.078
  348   1HG   ARG  52          1HG       ARG  52  -5.446  -7.973  -4.436
  349   2HG   ARG  52          2HG       ARG  52  -5.141  -9.483  -3.585
  350   1HD   ARG  52          1HD       ARG  52  -5.181  -8.257  -1.707
  351   2HD   ARG  52          2HD       ARG  52  -3.581  -7.728  -2.189
  352    HE   ARG  52           HE       ARG  52  -5.920  -6.064  -2.065
  353   1HH1  ARG  52          1HH2      ARG  52  -4.604  -6.434  -5.030
  354   2HH1  ARG  52          2HH2      ARG  52  -3.813  -4.904  -5.106
  355   1HH2  ARG  52          2HH1      ARG  52  -4.262  -4.183  -1.765
  356   2HH2  ARG  52          1HH1      ARG  52  -3.689  -3.608  -3.291
  357    H    ASP  53           H        ASP  53  -3.293 -10.834  -7.678
  358    HA   ASP  53           HA       ASP  53  -0.585 -10.506  -8.416
  359   1HB   ASP  53          1HB       ASP  53  -2.893 -10.217 -10.351
  360   2HB   ASP  53          2HB       ASP  53  -1.286 -10.867 -10.672
  361    HA   PRO  54           HA       PRO  54  -0.257  -6.150  -8.992
  362   1HB   PRO  54          1HB       PRO  54   1.822  -6.077 -10.789
  363   2HB   PRO  54          2HB       PRO  54   2.028  -6.426  -9.064
  364   1HG   PRO  54          1HG       PRO  54   2.135  -8.298 -11.382
  365   2HG   PRO  54          2HG       PRO  54   2.916  -8.427  -9.797
  366   1HD   PRO  54          1HD       PRO  54   0.582  -9.806 -10.610
  367   2HD   PRO  54          2HD       PRO  54   1.182  -9.660  -8.944
  368    H    LYS  55           H        LYS  55  -0.173  -8.058 -12.019
  369    HA   LYS  55           HA       LYS  55  -1.052  -5.836 -13.650
  370   1HB   LYS  55          1HB       LYS  55  -0.864  -8.813 -14.140
  371   2HB   LYS  55          2HB       LYS  55  -1.443  -7.683 -15.365
  372   1HG   LYS  55          1HG       LYS  55   0.884  -6.484 -14.444
  373   2HG   LYS  55          2HG       LYS  55   1.292  -8.200 -14.465
  374   1HD   LYS  55          1HD       LYS  55   1.810  -7.501 -16.653
  375   2HD   LYS  55          2HD       LYS  55   0.200  -8.203 -16.824
  376   1HE   LYS  55          1HE       LYS  55  -0.779  -6.185 -17.247
  377   2HE   LYS  55          2HE       LYS  55   0.260  -5.330 -16.106
  378   1HZ   LYS  55          3HZ       LYS  55   2.092  -5.708 -17.782
  379   2HZ   LYS  55          2HZ       LYS  55   0.874  -6.149 -18.883
  380   3HZ   LYS  55          1HZ       LYS  55   0.896  -4.586 -18.217
  381    H    GLN  56           H        GLN  56  -2.652  -8.367 -11.832
  382    HA   GLN  56           HA       GLN  56  -5.229  -7.953 -13.155
  383   1HB   GLN  56          1HB       GLN  56  -4.482 -10.126 -12.060
  384   2HB   GLN  56          2HB       GLN  56  -4.726  -9.328 -10.505
  385   1HG   GLN  56          1HG       GLN  56  -6.807 -10.312 -10.809
  386   2HG   GLN  56          2HG       GLN  56  -7.085  -8.731 -11.539
  387   1HE2  GLN  56          2HE2      GLN  56  -7.956 -10.217 -14.600
  388   2HE2  GLN  56          1HE2      GLN  56  -8.207  -8.973 -13.472
  389    H    VAL  57           H        VAL  57  -3.699  -6.960 -10.109
  390    HA   VAL  57           HA       VAL  57  -6.075  -5.557  -9.177
  391    HB   VAL  57           HB       VAL  57  -4.624  -4.711  -7.401
  392   1HG1  VAL  57          2HG1      VAL  57  -4.592  -7.583  -8.209
  393   2HG1  VAL  57          1HG1      VAL  57  -3.567  -7.101  -6.858
  394   3HG1  VAL  57          3HG1      VAL  57  -5.306  -6.824  -6.786
  395   1HG2  VAL  57          3HG2      VAL  57  -2.528  -5.522  -9.358
  396   2HG2  VAL  57          2HG2      VAL  57  -2.535  -4.182  -8.210
  397   3HG2  VAL  57          1HG2      VAL  57  -2.167  -5.816  -7.657
  398    H    ILE  58           H        ILE  58  -3.958  -4.891 -11.660
  399    HA   ILE  58           HA       ILE  58  -3.589  -2.070 -11.203
  400    HB   ILE  58           HB       ILE  58  -2.926  -4.039 -13.282
  401   1HG1  ILE  58          1HG1      ILE  58  -1.657  -1.368 -12.686
  402   2HG1  ILE  58          2HG1      ILE  58  -1.467  -2.752 -11.610
  403   1HG2  ILE  58          2HG2      ILE  58  -3.614  -1.203 -14.135
  404   2HG2  ILE  58          1HG2      ILE  58  -2.650  -2.322 -15.097
  405   3HG2  ILE  58          3HG2      ILE  58  -4.340  -2.688 -14.747
  406   1HD1  ILE  58          2HD1      ILE  58  -0.937  -3.110 -14.544
  407   2HD1  ILE  58          1HD1      ILE  58   0.290  -2.334 -13.540
  408   3HD1  ILE  58          3HD1      ILE  58  -0.243  -3.975 -13.173
  409    H    GLY  59           H        GLY  59  -5.105  -0.566 -11.347
  410   1HA   GLY  59          1HA       GLY  59  -6.928   0.607 -12.379
  411   2HA   GLY  59          2HA       GLY  59  -7.280  -0.836 -13.334
  412    H    LYS  60           H        LYS  60  -6.923  -2.274 -10.518
  413    HA   LYS  60           HA       LYS  60  -9.793  -2.293  -9.963
  414   1HB   LYS  60          1HB       LYS  60  -7.557  -3.595  -8.369
  415   2HB   LYS  60          2HB       LYS  60  -9.271  -4.005  -8.313
  416   1HG   LYS  60          1HG       LYS  60  -7.556  -4.241 -10.803
  417   2HG   LYS  60          2HG       LYS  60  -7.907  -5.581  -9.713
  418   1HD   LYS  60          1HD       LYS  60 -10.141  -5.679 -10.316
  419   2HD   LYS  60          2HD       LYS  60 -10.200  -3.980 -10.781
  420   1HE   LYS  60          1HE       LYS  60  -9.089  -4.386 -12.836
  421   2HE   LYS  60          2HE       LYS  60  -8.539  -5.978 -12.315
  422   1HZ   LYS  60          3HZ       LYS  60 -11.396  -5.676 -12.239
  423   2HZ   LYS  60          2HZ       LYS  60 -10.749  -5.492 -13.800
  424   3HZ   LYS  60          1HZ       LYS  60 -10.455  -6.914 -12.917
  425    H    ASN  61           H        ASN  61 -10.816  -1.230  -8.305
  426    HA   ASN  61           HA       ASN  61  -9.407   0.923  -6.970
  427   1HB   ASN  61          1HB       ASN  61 -12.102   0.234  -7.473
  428   2HB   ASN  61          2HB       ASN  61 -11.933   0.268  -5.718
  429   1HD2  ASN  61          2HD2      ASN  61 -11.405   3.738  -7.850
  430   2HD2  ASN  61          1HD2      ASN  61 -11.325   2.243  -8.652
  431    H    PHE  62           H        PHE  62  -7.792   0.023  -5.658
  432    HA   PHE  62           HA       PHE  62  -7.986  -2.250  -4.003
  433   1HB   PHE  62          1HB       PHE  62  -5.834  -1.287  -4.267
  434   2HB   PHE  62          2HB       PHE  62  -6.393   0.309  -3.776
  435    HD1  PHE  62           HD1      PHE  62  -6.053  -3.185  -2.474
  436    HD2  PHE  62           HD2      PHE  62  -6.104   1.003  -1.550
  437    HE1  PHE  62           HE1      PHE  62  -5.414  -3.693  -0.136
  438    HE2  PHE  62           HE2      PHE  62  -5.426   0.501   0.789
  439    HZ   PHE  62           HZ       PHE  62  -5.108  -1.858   1.497
  440    H    PHE  63           H        PHE  63  -9.411   0.887  -3.597
  441    HA   PHE  63           HA       PHE  63  -9.885   0.407  -0.730
  442   1HB   PHE  63          1HB       PHE  63 -10.111   2.720  -2.566
  443   2HB   PHE  63          2HB       PHE  63 -11.285   2.670  -1.248
  444    HD1  PHE  63           HD1      PHE  63 -10.394   2.230   1.130
  445    HD2  PHE  63           HD2      PHE  63  -7.896   3.402  -2.160
  446    HE1  PHE  63           HE1      PHE  63  -8.638   2.950   2.725
  447    HE2  PHE  63           HE2      PHE  63  -6.139   4.130  -0.565
  448    HZ   PHE  63           HZ       PHE  63  -6.508   3.901   1.877
  449    H    LYS  64           H        LYS  64 -11.685   0.362  -3.767
  450    HA   LYS  64           HA       LYS  64 -13.979  -0.820  -2.277
  451   1HB   LYS  64          1HB       LYS  64 -14.365   1.644  -2.807
  452   2HB   LYS  64          2HB       LYS  64 -14.343   1.191  -4.512
  453   1HG   LYS  64          1HG       LYS  64 -16.190  -0.403  -4.110
  454   2HG   LYS  64          2HG       LYS  64 -16.223   0.071  -2.411
  455   1HD   LYS  64          1HD       LYS  64 -16.339   2.356  -4.247
  456   2HD   LYS  64          2HD       LYS  64 -17.707   1.255  -4.417
  457   1HE   LYS  64          1HE       LYS  64 -18.129   1.380  -1.997
  458   2HE   LYS  64          2HE       LYS  64 -16.745   2.454  -1.804
  459   1HZ   LYS  64          2HZ       LYS  64 -18.270   3.584  -3.795
  460   2HZ   LYS  64          1HZ       LYS  64 -19.395   3.069  -2.630
  461   3HZ   LYS  64          3HZ       LYS  64 -18.139   4.119  -2.188
  462    H    ASP  65           H        ASP  65 -12.048  -2.255  -3.654
  463    HA   ASP  65           HA       ASP  65 -13.686  -3.613  -5.643
  464   1HB   ASP  65          1HB       ASP  65 -12.644  -1.619  -6.865
  465   2HB   ASP  65          2HB       ASP  65 -11.094  -2.430  -6.643
  466    H    VAL  66           H        VAL  66 -10.544  -3.276  -4.002
  467    HA   VAL  66           HA       VAL  66 -10.052  -6.175  -4.523
  468    HB   VAL  66           HB       VAL  66  -8.078  -4.193  -3.409
  469   1HG1  VAL  66          1HG1      VAL  66  -7.929  -6.847  -4.834
  470   2HG1  VAL  66          3HG1      VAL  66  -6.521  -5.818  -4.597
  471   3HG1  VAL  66          2HG1      VAL  66  -7.388  -6.458  -3.204
  472   1HG2  VAL  66          2HG2      VAL  66  -8.913  -3.264  -5.538
  473   2HG2  VAL  66          1HG2      VAL  66  -7.239  -3.799  -5.673
  474   3HG2  VAL  66          3HG2      VAL  66  -8.536  -4.789  -6.342
  475    H    ALA  67           H        ALA  67  -9.698  -3.623  -2.130
  476    HA   ALA  67           HA       ALA  67 -10.055  -5.648   0.029
  477   1HB   ALA  67          3HB       ALA  67  -8.322  -3.194  -0.234
  478   2HB   ALA  67          2HB       ALA  67  -8.668  -3.917   1.337
  479   3HB   ALA  67          1HB       ALA  67  -7.822  -4.851   0.102
  480    HA   PRO  68           HA       PRO  68 -13.552  -2.727   0.442
  481   1HB   PRO  68          1HB       PRO  68 -15.263  -4.581   1.544
  482   2HB   PRO  68          2HB       PRO  68 -15.059  -4.341  -0.200
  483   1HG   PRO  68          1HG       PRO  68 -14.021  -6.544   1.528
  484   2HG   PRO  68          2HG       PRO  68 -14.432  -6.567  -0.196
  485   1HD   PRO  68          1HD       PRO  68 -11.823  -6.409   0.855
  486   2HD   PRO  68          2HD       PRO  68 -12.287  -6.029  -0.817
  487    H    CYS  69           H        CYS  69 -11.566  -4.409   2.607
  488    HA   CYS  69           HA       CYS  69 -12.945  -3.675   5.068
  489   1HB   CYS  69          1HB       CYS  69 -11.039  -4.616   6.186
  490   2HB   CYS  69          2HB       CYS  69 -11.325  -5.636   4.778
  491    H    THR  70           H        THR  70 -10.453  -2.327   2.990
  492    HA   THR  70           HA       THR  70  -9.564  -0.269   4.803
  493    HB   THR  70           HB       THR  70  -8.399   0.639   2.918
  494    HG1  THR  70           HG1      THR  70  -9.593  -0.915   1.006
  495   1HG2  THR  70          3HG2      THR  70  -8.256  -2.057   3.611
  496   2HG2  THR  70          2HG2      THR  70  -8.292  -2.070   1.848
  497   3HG2  THR  70          1HG2      THR  70  -7.049  -1.152   2.698
  498    H    ASP  71           H        ASP  71 -12.499  -0.676   3.152
  499    HA   ASP  71           HA       ASP  71 -13.015   2.183   2.736
  500   1HB   ASP  71          1HB       ASP  71 -14.016   0.087   1.465
  501   2HB   ASP  71          2HB       ASP  71 -15.184   0.109   2.787
  502    H    SER  72           H        SER  72 -12.493   2.709   5.041
  503    HA   SER  72           HA       SER  72 -14.921   2.883   6.632
  504   1HB   SER  72          1HB       SER  72 -12.827   1.626   8.262
  505   2HB   SER  72          2HB       SER  72 -14.553   1.278   8.194
  506    HG   SER  72           HG       SER  72 -13.851  -0.455   7.198
  507    HA   PRO  73           HA       PRO  73 -12.688   6.266   8.373
  508   1HB   PRO  73          1HB       PRO  73 -13.447   6.239  11.016
  509   2HB   PRO  73          2HB       PRO  73 -14.510   6.758   9.697
  510   1HG   PRO  73          1HG       PRO  73 -14.562   4.222  11.264
  511   2HG   PRO  73          2HG       PRO  73 -15.884   5.053  10.431
  512   1HD   PRO  73          1HD       PRO  73 -14.504   2.776   9.481
  513   2HD   PRO  73          2HD       PRO  73 -15.582   3.816   8.525
  514    H    GLU  74           H        GLU  74 -10.634   4.966   8.058
  515    HA   GLU  74           HA       GLU  74  -8.865   5.180  10.239
  516   1HB   GLU  74          1HB       GLU  74 -10.522   2.990  10.616
  517   2HB   GLU  74          2HB       GLU  74  -9.088   2.282   9.871
  518   1HG   GLU  74          1HG       GLU  74  -7.670   3.020  11.593
  519   2HG   GLU  74          2HG       GLU  74  -8.818   4.243  12.139
  520    H    PHE  75           H        PHE  75  -9.765   3.312   7.395
  521    HA   PHE  75           HA       PHE  75  -6.918   3.348   6.489
  522   1HB   PHE  75          1HB       PHE  75  -8.547   1.209   6.573
  523   2HB   PHE  75          2HB       PHE  75  -9.036   1.848   5.003
  524    HD1  PHE  75           HD2      PHE  75  -6.908   2.741   3.565
  525    HD2  PHE  75           HD1      PHE  75  -6.819  -0.357   6.539
  526    HE1  PHE  75           HE2      PHE  75  -4.853   1.817   2.539
  527    HE2  PHE  75           HE1      PHE  75  -4.752  -1.278   5.513
  528    HZ   PHE  75           HZ       PHE  75  -3.773  -0.191   3.513
  529    H    TYR  76           H        TYR  76 -10.191   3.555   5.013
  530    HA   TYR  76           HA       TYR  76  -9.149   5.359   2.951
  531   1HB   TYR  76          1HB       TYR  76 -11.056   3.643   2.643
  532   2HB   TYR  76          2HB       TYR  76 -12.073   4.821   3.477
  533    HD1  TYR  76           HD2      TYR  76  -9.261   5.251   1.029
  534    HD2  TYR  76           HD1      TYR  76 -13.426   5.877   1.878
  535    HE1  TYR  76           HE2      TYR  76  -9.489   6.547  -1.074
  536    HE2  TYR  76           HE1      TYR  76 -13.656   7.174  -0.223
  537    HH   TYR  76           HH       TYR  76 -11.019   8.324  -1.974
  538    H    GLY  77           H        GLY  77 -10.559   5.620   6.090
  539   1HA   GLY  77          1HA       GLY  77 -11.706   8.234   5.898
  540   2HA   GLY  77          2HA       GLY  77 -11.129   7.486   7.377
  541    H    LYS  78           H        LYS  78  -8.552   7.209   7.200
  542    HA   LYS  78           HA       LYS  78  -7.520   9.879   7.366
  543   1HB   LYS  78          1HB       LYS  78  -5.786   7.440   7.023
  544   2HB   LYS  78          2HB       LYS  78  -5.465   8.893   7.968
  545   1HG   LYS  78          1HG       LYS  78  -7.284   6.585   8.610
  546   2HG   LYS  78          2HG       LYS  78  -6.071   7.351   9.630
  547   1HD   LYS  78          1HD       LYS  78  -7.741   9.454   9.250
  548   2HD   LYS  78          2HD       LYS  78  -8.900   8.130   9.123
  549   1HE   LYS  78          1HE       LYS  78  -8.126   7.237  11.295
  550   2HE   LYS  78          2HE       LYS  78  -6.968   8.559  11.428
  551   1HZ   LYS  78          2HZ       LYS  78  -9.905   8.915  11.187
  552   2HZ   LYS  78          1HZ       LYS  78  -9.047   8.963  12.652
  553   3HZ   LYS  78          3HZ       LYS  78  -8.754  10.133  11.461
  554    H    PHE  79           H        PHE  79  -7.965   7.784   4.709
  555    HA   PHE  79           HA       PHE  79  -5.914   8.974   3.039
  556   1HB   PHE  79          1HB       PHE  79  -6.535   6.687   2.661
  557   2HB   PHE  79          2HB       PHE  79  -8.232   7.128   2.538
  558    HD1  PHE  79           HD1      PHE  79  -8.957   8.645   0.601
  559    HD2  PHE  79           HD2      PHE  79  -5.135   6.668   0.710
  560    HE1  PHE  79           HE1      PHE  79  -8.741   8.905  -1.860
  561    HE2  PHE  79           HE2      PHE  79  -4.951   6.912  -1.730
  562    HZ   PHE  79           HZ       PHE  79  -6.730   8.030  -3.015
  563    H    LYS  80           H        LYS  80  -9.388   9.356   3.547
  564    HA   LYS  80           HA       LYS  80  -9.711  11.133   1.311
  565   1HB   LYS  80          1HB       LYS  80 -11.405   9.901   3.324
  566   2HB   LYS  80          2HB       LYS  80 -11.806  11.606   3.111
  567   1HG   LYS  80          1HG       LYS  80 -11.580  10.928   0.526
  568   2HG   LYS  80          2HG       LYS  80 -12.029   9.347   1.174
  569   1HD   LYS  80          1HD       LYS  80 -13.913  10.610   2.418
  570   2HD   LYS  80          2HD       LYS  80 -13.578  11.934   1.302
  571   1HE   LYS  80          1HE       LYS  80 -14.193  10.660  -0.586
  572   2HE   LYS  80          2HE       LYS  80 -14.044   9.133   0.285
  573   1HZ   LYS  80          1HZ       LYS  80 -16.010  11.169   1.119
  574   2HZ   LYS  80          3HZ       LYS  80 -16.371  10.078  -0.128
  575   3HZ   LYS  80          2HZ       LYS  80 -16.010   9.498   1.428
  576    H    GLU  81           H        GLU  81  -8.410  11.412   4.424
  577    HA   GLU  81           HA       GLU  81  -8.987  14.346   4.516
  578   1HB   GLU  81          1HB       GLU  81  -8.030  14.315   6.769
  579   2HB   GLU  81          2HB       GLU  81  -9.263  13.061   6.636
  580   1HG   GLU  81          1HG       GLU  81  -7.505  11.391   6.213
  581   2HG   GLU  81          2HG       GLU  81  -6.274  12.638   6.376
  582    H    GLY  82           H        GLY  82  -6.352  12.012   4.356
  583   1HA   GLY  82          1HA       GLY  82  -4.185  13.875   4.246
  584   2HA   GLY  82          2HA       GLY  82  -4.158  12.250   3.543
  585    H    VAL  83           H        VAL  83  -6.351  12.517   1.810
  586    HA   VAL  83           HA       VAL  83  -5.147  13.644  -0.516
  587    HB   VAL  83           HB       VAL  83  -8.066  13.068   0.086
  588   1HG1  VAL  83          2HG1      VAL  83  -6.679  14.129  -2.290
  589   2HG1  VAL  83          1HG1      VAL  83  -7.729  12.749  -2.611
  590   3HG1  VAL  83          3HG1      VAL  83  -8.387  14.201  -1.855
  591   1HG2  VAL  83          2HG2      VAL  83  -6.023  11.290   0.029
  592   2HG2  VAL  83          1HG2      VAL  83  -7.661  10.898  -0.493
  593   3HG2  VAL  83          3HG2      VAL  83  -6.437  11.336  -1.684
  594    H    ALA  84           H        ALA  84  -7.720  14.921   1.608
  595    HA   ALA  84           HA       ALA  84  -7.647  17.513   0.199
  596   1HB   ALA  84          2HB       ALA  84  -9.606  16.090   1.571
  597   2HB   ALA  84          1HB       ALA  84  -9.200  17.414   2.663
  598   3HB   ALA  84          3HB       ALA  84  -9.733  17.760   1.018
  599    H    SER  85           H        SER  85  -5.657  16.185   2.406
  600    HA   SER  85           HA       SER  85  -5.447  18.625   4.094
  601   1HB   SER  85          1HB       SER  85  -4.405  15.809   4.378
  602   2HB   SER  85          2HB       SER  85  -3.742  17.128   5.340
  603    HG   SER  85           HG       SER  85  -5.625  17.347   6.360
  604    H    GLY  86           H        GLY  86  -3.810  16.826   1.589
  605   1HA   GLY  86          1HA       GLY  86  -2.041  17.588   0.211
  606   2HA   GLY  86          2HA       GLY  86  -1.940  19.043   1.207
  607    H    ASN  87           H        ASN  87  -1.906  15.964   2.813
  608    HA   ASN  87           HA       ASN  87   0.976  15.628   2.800
  609   1HB   ASN  87          1HB       ASN  87   1.295  16.162   5.222
  610   2HB   ASN  87          2HB       ASN  87   0.892  17.584   4.259
  611   1HD2  ASN  87          1HD2      ASN  87  -1.139  18.632   4.658
  612   2HD2  ASN  87          2HD2      ASN  87  -2.189  18.155   5.904
  613    H    LEU  88           H        LEU  88  -0.700  13.709   2.173
  614    HA   LEU  88           HA       LEU  88  -1.985  12.187   4.159
  615   1HB   LEU  88          1HB       LEU  88  -1.660  11.840   1.526
  616   2HB   LEU  88          2HB       LEU  88  -0.423  10.716   2.088
  617    HG   LEU  88           HG       LEU  88  -2.940  10.512   3.581
  618   1HD1  LEU  88          3HD1      LEU  88  -3.565  11.079   1.105
  619   2HD1  LEU  88          2HD1      LEU  88  -2.995   9.444   0.768
  620   3HD1  LEU  88          1HD1      LEU  88  -4.337   9.698   1.883
  621   1HD2  LEU  88          3HD2      LEU  88  -0.884   8.744   2.311
  622   2HD2  LEU  88          2HD2      LEU  88  -1.489   8.744   3.968
  623   3HD2  LEU  88          1HD2      LEU  88  -2.467   8.054   2.672
  624    H    ASN  89           H        ASN  89  -1.132  11.452   6.035
  625    HA   ASN  89           HA       ASN  89   1.350   9.907   6.008
  626   1HB   ASN  89          1HB       ASN  89   2.292  12.154   6.168
  627   2HB   ASN  89          2HB       ASN  89   1.195  12.553   7.489
  628   1HD2  ASN  89          2HD2      ASN  89   3.767   9.568   8.578
  629   2HD2  ASN  89          1HD2      ASN  89   2.761   9.373   7.225
  630    H    THR  90           H        THR  90  -0.408   8.404   6.721
  631    HA   THR  90           HA       THR  90  -0.779   8.655   9.677
  632    HB   THR  90           HB       THR  90  -2.884   9.364   8.567
  633    HG1  THR  90           HG1      THR  90  -2.995   6.807   9.787
  634   1HG2  THR  90          2HG2      THR  90  -2.249   7.137   6.871
  635   2HG2  THR  90          1HG2      THR  90  -3.826   6.861   7.611
  636   3HG2  THR  90          3HG2      THR  90  -3.533   8.330   6.680
  637    H    MET  91           H        MET  91  -1.055   6.577  10.743
  638    HA   MET  91           HA       MET  91  -0.539   4.183   9.058
  639   1HB   MET  91          1HB       MET  91   1.249   3.443  10.628
  640   2HB   MET  91          2HB       MET  91   1.687   4.924   9.777
  641   1HG   MET  91          2HG       MET  91   0.243   5.611  12.168
  642   2HG   MET  91          1HG       MET  91   1.554   4.509  12.587
  643   1HE   MET  91          3HE       MET  91   3.326   5.134  13.350
  644   2HE   MET  91          2HE       MET  91   4.387   6.493  12.987
  645   3HE   MET  91          1HE       MET  91   2.959   6.743  13.989
  646    H    PHE  92           H        PHE  92  -0.917   2.151  10.341
  647    HA   PHE  92           HA       PHE  92  -2.129   2.264  12.946
  648   1HB   PHE  92          1HB       PHE  92  -4.483   1.726  12.193
  649   2HB   PHE  92          2HB       PHE  92  -3.975   3.389  11.901
  650    HD1  PHE  92           HD1      PHE  92  -4.021   0.030  10.219
  651    HD2  PHE  92           HD2      PHE  92  -4.183   4.293   9.761
  652    HE1  PHE  92           HE1      PHE  92  -4.500  -0.249   7.807
  653    HE2  PHE  92           HE2      PHE  92  -4.654   4.015   7.343
  654    HZ   PHE  92           HZ       PHE  92  -4.780   1.739   6.365
  655    H    GLU  93           H        GLU  93  -2.737   0.155  13.686
  656    HA   GLU  93           HA       GLU  93  -1.498  -2.011  12.145
  657   1HB   GLU  93          1HB       GLU  93  -2.078  -3.405  14.107
  658   2HB   GLU  93          2HB       GLU  93  -1.235  -1.936  14.597
  659   1HG   GLU  93          1HG       GLU  93  -3.886  -1.144  14.578
  660   2HG   GLU  93          2HG       GLU  93  -3.974  -2.796  15.190
  661    H    TYR  94           H        TYR  94  -2.679  -2.890  10.503
  662    HA   TYR  94           HA       TYR  94  -5.628  -3.134  10.919
  663   1HB   TYR  94          1HB       TYR  94  -4.254  -1.932   8.839
  664   2HB   TYR  94          2HB       TYR  94  -4.642  -3.525   8.187
  665    HD1  TYR  94           HD1      TYR  94  -6.296  -0.879  10.282
  666    HD2  TYR  94           HD2      TYR  94  -6.679  -3.737   7.101
  667    HE1  TYR  94           HE1      TYR  94  -8.644  -0.169   9.927
  668    HE2  TYR  94           HE2      TYR  94  -9.024  -3.027   6.745
  669    HH   TYR  94           HH       TYR  94 -10.384  -0.253   8.426
  670    H    THR  95           H        THR  95  -6.435  -5.011   9.331
  671    HA   THR  95           HA       THR  95  -4.629  -7.347   9.415
  672    HB   THR  95           HB       THR  95  -7.364  -7.371  10.732
  673    HG1  THR  95           HG1      THR  95  -4.806  -7.685  11.903
  674   1HG2  THR  95          3HG2      THR  95  -6.480  -9.460   9.522
  675   2HG2  THR  95          2HG2      THR  95  -5.242  -9.516  10.777
  676   3HG2  THR  95          1HG2      THR  95  -6.946  -9.654  11.212
  677    H    PHE  96           H        PHE  96  -4.729  -7.835   7.274
  678    HA   PHE  96           HA       PHE  96  -7.226  -7.465   5.769
  679   1HB   PHE  96          1HB       PHE  96  -4.593  -8.679   4.880
  680   2HB   PHE  96          2HB       PHE  96  -5.921  -8.197   3.828
  681    HD1  PHE  96           HD1      PHE  96  -6.568  -5.645   5.608
  682    HD2  PHE  96           HD2      PHE  96  -3.003  -7.186   3.768
  683    HE1  PHE  96           HE1      PHE  96  -5.638  -3.352   5.492
  684    HE2  PHE  96           HE2      PHE  96  -2.076  -4.892   3.655
  685    HZ   PHE  96           HZ       PHE  96  -3.390  -2.975   4.518
  686    H    ASP  97           H        ASP  97  -8.667  -9.006   6.655
  687    HA   ASP  97           HA       ASP  97  -7.828 -11.855   6.340
  688   1HB   ASP  97          1HB       ASP  97  -9.599 -12.417   7.925
  689   2HB   ASP  97          2HB       ASP  97  -8.584 -11.155   8.623
  690    H    TYR  98           H        TYR  98  -8.838  -9.948   4.237
  691    HA   TYR  98           HA       TYR  98 -11.503 -10.958   3.562
  692   1HB   TYR  98          1HB       TYR  98 -11.474  -9.391   1.843
  693   2HB   TYR  98          2HB       TYR  98 -10.258  -8.665   2.888
  694    HD1  TYR  98           HD2      TYR  98  -7.860 -10.175   2.499
  695    HD2  TYR  98           HD1      TYR  98 -10.866  -9.165  -0.390
  696    HE1  TYR  98           HE2      TYR  98  -6.185 -10.420   0.685
  697    HE2  TYR  98           HE1      TYR  98  -9.194  -9.395  -2.212
  698    HH   TYR  98           HH       TYR  98  -6.871 -10.837  -2.398
  699    H    GLN  99           H        GLN  99 -11.867 -12.351   1.676
  700    HA   GLN  99           HA       GLN  99 -11.219 -14.745   1.215
  701   1HB   GLN  99          1HB       GLN  99 -10.315 -12.909  -1.014
  702   2HB   GLN  99          2HB       GLN  99 -10.897 -14.567  -1.173
  703   1HG   GLN  99          1HG       GLN  99 -13.011 -13.600   0.099
  704   2HG   GLN  99          2HG       GLN  99 -12.436 -12.070  -0.567
  705   1HE2  GLN  99          2HE2      GLN  99 -14.690 -13.529  -3.128
  706   2HE2  GLN  99          1HE2      GLN  99 -14.854 -12.913  -1.556
  707    H    MET 100           H        MET 100  -9.328 -14.722   2.874
  708    HA   MET 100           HA       MET 100  -7.020 -15.908   1.732
  709   1HB   MET 100          1HB       MET 100  -7.019 -13.100   1.378
  710   2HB   MET 100          2HB       MET 100  -5.940 -13.400   2.741
  711   1HG   MET 100          2HG       MET 100  -5.707 -15.139   0.306
  712   2HG   MET 100          1HG       MET 100  -5.013 -13.519   0.268
  713   1HE   MET 100          1HE       MET 100  -3.966 -12.542   2.135
  714   2HE   MET 100          3HE       MET 100  -3.891 -13.379   3.692
  715   3HE   MET 100          2HE       MET 100  -2.441 -13.213   2.706
  716    H    THR 101           H        THR 101  -5.396 -16.361   3.419
  717    HA   THR 101           HA       THR 101  -6.454 -16.913   5.976
  718    HB   THR 101           HB       THR 101  -3.807 -16.660   6.538
  719    HG1  THR 101           HG1      THR 101  -2.797 -17.299   4.496
  720   1HG2  THR 101          2HG2      THR 101  -5.540 -18.706   6.131
  721   2HG2  THR 101          1HG2      THR 101  -4.446 -18.950   4.770
  722   3HG2  THR 101          3HG2      THR 101  -3.816 -18.940   6.417
  723    HA   PRO 102           HA       PRO 102  -6.272 -13.089   8.150
  724   1HB   PRO 102          1HB       PRO 102  -5.290 -13.817  10.617
  725   2HB   PRO 102          2HB       PRO 102  -6.943 -14.158  10.076
  726   1HG   PRO 102          1HG       PRO 102  -4.620 -16.020  10.308
  727   2HG   PRO 102          2HG       PRO 102  -6.353 -16.365  10.435
  728   1HD   PRO 102          1HD       PRO 102  -4.752 -16.890   8.181
  729   2HD   PRO 102          2HD       PRO 102  -6.527 -16.836   8.193
  730    H    THR 103           H        THR 103  -4.779 -11.589   7.485
  731    HA   THR 103           HA       THR 103  -1.911 -12.071   8.186
  732    HB   THR 103           HB       THR 103  -3.205 -10.692   5.825
  733    HG1  THR 103           HG1      THR 103  -1.068 -12.529   5.904
  734   1HG2  THR 103          2HG2      THR 103  -0.684 -10.000   7.145
  735   2HG2  THR 103          1HG2      THR 103  -0.457 -10.461   5.458
  736   3HG2  THR 103          3HG2      THR 103  -1.554  -9.143   5.873
  737    H    LYS 104           H        LYS 104  -1.325 -10.812   9.884
  738    HA   LYS 104           HA       LYS 104  -2.721  -8.230  10.341
  739   1HB   LYS 104          1HB       LYS 104  -2.025  -9.989  12.190
  740   2HB   LYS 104          2HB       LYS 104  -0.435  -9.244  12.020
  741   1HG   LYS 104          1HG       LYS 104  -1.085  -7.472  13.238
  742   2HG   LYS 104          2HG       LYS 104  -2.439  -7.182  12.147
  743   1HD   LYS 104          1HD       LYS 104  -3.862  -8.673  13.379
  744   2HD   LYS 104          2HD       LYS 104  -2.504  -9.276  14.331
  745   1HE   LYS 104          1HE       LYS 104  -2.261  -7.191  15.479
  746   2HE   LYS 104          2HE       LYS 104  -3.343  -6.369  14.356
  747   1HZ   LYS 104          3HZ       LYS 104  -5.083  -8.007  15.144
  748   2HZ   LYS 104          2HZ       LYS 104  -4.021  -8.381  16.415
  749   3HZ   LYS 104          1HZ       LYS 104  -4.625  -6.802  16.246
  750    H    VAL 105           H        VAL 105  -1.675  -6.271   9.932
  751    HA   VAL 105           HA       VAL 105   1.250  -6.333   9.354
  752    HB   VAL 105           HB       VAL 105   0.928  -5.112   7.253
  753   1HG1  VAL 105          2HG1      VAL 105   0.599  -7.801   7.601
  754   2HG1  VAL 105          1HG1      VAL 105  -0.895  -7.396   6.767
  755   3HG1  VAL 105          3HG1      VAL 105   0.659  -7.023   6.026
  756   1HG2  VAL 105          1HG2      VAL 105  -1.830  -4.996   8.224
  757   2HG2  VAL 105          3HG2      VAL 105  -1.022  -3.988   7.022
  758   3HG2  VAL 105          2HG2      VAL 105  -1.734  -5.530   6.546
  759    H    LYS 106           H        LYS 106   2.222  -4.270   9.714
  760    HA   LYS 106           HA       LYS 106   0.428  -2.238  10.953
  761   1HB   LYS 106          1HB       LYS 106   2.606  -1.044  11.490
  762   2HB   LYS 106          2HB       LYS 106   2.433  -2.613  12.272
  763   1HG   LYS 106          1HG       LYS 106   3.698  -2.708   9.617
  764   2HG   LYS 106          2HG       LYS 106   4.628  -1.839  10.832
  765   1HD   LYS 106          1HD       LYS 106   3.444  -4.572  11.359
  766   2HD   LYS 106          2HD       LYS 106   5.062  -4.358  10.691
  767   1HE   LYS 106          1HE       LYS 106   4.068  -3.219  13.319
  768   2HE   LYS 106          2HE       LYS 106   5.174  -4.579  13.135
  769   1HZ   LYS 106          3HZ       LYS 106   6.478  -2.828  11.708
  770   2HZ   LYS 106          2HZ       LYS 106   5.641  -1.724  12.692
  771   3HZ   LYS 106          1HZ       LYS 106   6.656  -2.893  13.393
  772    H    VAL 107           H        VAL 107  -0.396  -0.817   9.491
  773    HA   VAL 107           HA       VAL 107   0.834  -0.680   6.833
  774    HB   VAL 107           HB       VAL 107  -1.267  -0.052   6.074
  775   1HG1  VAL 107          3HG1      VAL 107  -1.530  -1.851   7.970
  776   2HG1  VAL 107          2HG1      VAL 107  -2.445  -0.559   8.740
  777   3HG1  VAL 107          1HG1      VAL 107  -2.930  -1.156   7.156
  778   1HG2  VAL 107          3HG2      VAL 107  -0.947   2.239   7.408
  779   2HG2  VAL 107          2HG2      VAL 107  -2.472   1.764   6.726
  780   3HG2  VAL 107          1HG2      VAL 107  -2.166   1.510   8.441
  781    H    HIS 108           H        HIS 108   1.064   1.407   5.709
  782    HA   HIS 108           HA       HIS 108   1.439   3.803   7.382
  783   1HB   HIS 108          1HB       HIS 108   3.680   2.746   7.538
  784   2HB   HIS 108          2HB       HIS 108   3.772   2.709   5.773
  785    HD1  HIS 108           HD1      HIS 108   5.854   4.404   6.028
  786    HD2  HIS 108           HD2      HIS 108   2.146   5.919   7.162
  787    HE1  HIS 108           HE1      HIS 108   6.120   6.917   6.139
  788    H    MET 109           H        MET 109  -0.082   4.887   6.108
  789    HA   MET 109           HA       MET 109   0.255   4.812   3.168
  790   1HB   MET 109          1HB       MET 109  -1.896   6.330   4.635
  791   2HB   MET 109          2HB       MET 109  -1.951   5.650   3.011
  792   1HG   MET 109          2HG       MET 109  -1.667   3.355   4.201
  793   2HG   MET 109          1HG       MET 109  -2.147   4.219   5.660
  794   1HE   MET 109          1HE       MET 109  -3.836   5.570   5.960
  795   2HE   MET 109          3HE       MET 109  -4.929   6.180   4.712
  796   3HE   MET 109          2HE       MET 109  -5.445   4.875   5.776
  797    H    LYS 110           H        LYS 110   1.369   6.519   2.104
  798    HA   LYS 110           HA       LYS 110   1.311   9.116   3.638
  799   1HB   LYS 110          1HB       LYS 110   3.566   7.520   3.416
  800   2HB   LYS 110          2HB       LYS 110   3.783   8.695   2.121
  801   1HG   LYS 110          1HG       LYS 110   3.369  10.533   3.733
  802   2HG   LYS 110          2HG       LYS 110   3.199   9.344   5.026
  803   1HD   LYS 110          1HD       LYS 110   5.551   8.522   4.271
  804   2HD   LYS 110          2HD       LYS 110   5.666  10.089   3.466
  805   1HE   LYS 110          1HE       LYS 110   5.699  11.265   5.454
  806   2HE   LYS 110          2HE       LYS 110   4.753  10.049   6.311
  807   1HZ   LYS 110          2HZ       LYS 110   7.382   9.243   5.346
  808   2HZ   LYS 110          1HZ       LYS 110   7.349  10.327   6.654
  809   3HZ   LYS 110          3HZ       LYS 110   6.575   8.824   6.780
  810    H    LYS 111           H        LYS 111   2.121  10.960   2.094
  811    HA   LYS 111           HA       LYS 111   0.602  10.620  -0.413
  812   1HB   LYS 111          1HB       LYS 111   0.087  12.639   0.771
  813   2HB   LYS 111          2HB       LYS 111   1.794  13.045   0.962
  814   1HG   LYS 111          1HG       LYS 111   1.778  14.131  -1.013
  815   2HG   LYS 111          2HG       LYS 111   1.220  12.674  -1.835
  816   1HD   LYS 111          1HD       LYS 111  -0.903  13.438  -1.962
  817   2HD   LYS 111          2HD       LYS 111  -0.895  13.960  -0.277
  818   1HE   LYS 111          1HE       LYS 111  -1.151  15.933  -1.645
  819   2HE   LYS 111          2HE       LYS 111   0.485  15.950  -0.986
  820   1HZ   LYS 111          2HZ       LYS 111  -0.234  14.900  -3.668
  821   2HZ   LYS 111          1HZ       LYS 111   0.392  16.454  -3.381
  822   3HZ   LYS 111          3HZ       LYS 111   1.332  15.085  -3.034
  823    H    ALA 112           H        ALA 112   1.760   9.678  -1.969
  824    HA   ALA 112           HA       ALA 112   4.537   9.497  -2.216
  825   1HB   ALA 112          3HB       ALA 112   2.291   8.721  -3.679
  826   2HB   ALA 112          2HB       ALA 112   3.252   9.684  -4.803
  827   3HB   ALA 112          1HB       ALA 112   3.967   8.283  -4.008
  828    H    LEU 113           H        LEU 113   5.590  10.496  -4.427
  829    HA   LEU 113           HA       LEU 113   5.163  13.445  -4.223
  830   1HB   LEU 113          1HB       LEU 113   7.500  11.907  -3.675
  831   2HB   LEU 113          2HB       LEU 113   7.810  12.849  -5.134
  832    HG   LEU 113           HG       LEU 113   6.584  14.097  -2.674
  833   1HD1  LEU 113          1HD1      LEU 113   8.856  12.977  -2.247
  834   2HD1  LEU 113          3HD1      LEU 113   9.526  14.161  -3.369
  835   3HD1  LEU 113          2HD1      LEU 113   8.748  14.699  -1.880
  836   1HD2  LEU 113          3HD2      LEU 113   8.113  15.167  -5.069
  837   2HD2  LEU 113          2HD2      LEU 113   6.386  15.355  -4.764
  838   3HD2  LEU 113          1HD2      LEU 113   7.558  16.149  -3.713
  839    H    SER 114           H        SER 114   3.708  13.199  -6.076
  840    HA   SER 114           HA       SER 114   3.247  13.318  -8.375
  841   1HB   SER 114          1HB       SER 114   6.202  13.859  -8.707
  842   2HB   SER 114          2HB       SER 114   4.878  14.414  -9.728
  843    HG   SER 114           HG       SER 114   5.860  15.865  -7.996
  844    H    GLY 115           H        GLY 115   2.748  11.225  -8.940
  845   1HA   GLY 115          1HA       GLY 115   3.675   9.656 -10.775
  846   2HA   GLY 115          2HA       GLY 115   5.016   9.420  -9.654
  847    H    ASP 116           H        ASP 116   2.667   9.779  -7.529
  848    HA   ASP 116           HA       ASP 116   1.414   7.124  -7.816
  849   1HB   ASP 116          1HB       ASP 116   3.544   7.822  -5.871
  850   2HB   ASP 116          2HB       ASP 116   2.181   6.906  -5.231
  851    H    SER 117           H        SER 117   1.751  10.115  -5.905
  852    HA   SER 117           HA       SER 117   0.070  11.488  -5.027
  853   1HB   SER 117          1HB       SER 117  -1.291  10.527  -7.005
  854   2HB   SER 117          2HB       SER 117  -2.018   9.459  -5.813
  855    HG   SER 117           HG       SER 117  -3.277  11.245  -5.821
  856    H    TYR 118           H        TYR 118  -1.447   8.283  -4.439
  857    HA   TYR 118           HA       TYR 118  -0.899   8.741  -1.527
  858   1HB   TYR 118          1HB       TYR 118  -3.372   7.350  -2.559
  859   2HB   TYR 118          2HB       TYR 118  -3.118   8.042  -0.956
  860    HD1  TYR 118           HD1      TYR 118  -2.607  10.672  -0.975
  861    HD2  TYR 118           HD2      TYR 118  -4.582   8.474  -4.093
  862    HE1  TYR 118           HE1      TYR 118  -3.661  12.756  -1.792
  863    HE2  TYR 118           HE2      TYR 118  -5.626  10.542  -4.907
  864    HH   TYR 118           HH       TYR 118  -4.604  13.608  -3.996
  865    H    TRP 119           H        TRP 119   0.288   7.050  -0.702
  866    HA   TRP 119           HA       TRP 119  -0.160   4.402  -1.912
  867   1HB   TRP 119          1HB       TRP 119   2.227   3.896  -1.713
  868   2HB   TRP 119          2HB       TRP 119   1.872   5.177  -2.854
  869    HD1  TRP 119           HD1      TRP 119   3.162   7.331  -2.544
  870    HE1  TRP 119           HE1      TRP 119   4.817   8.237  -0.782
  871    HE3  TRP 119           HE3      TRP 119   2.507   3.856   0.921
  872    HZ2  TRP 119           HZ2      TRP 119   5.749   7.483   1.843
  873    HZ3  TRP 119           HZ3      TRP 119   3.773   3.877   3.082
  874    HH2  TRP 119           HH2      TRP 119   5.393   5.697   3.529
  875    H    VAL 120           H        VAL 120   0.163   2.565  -0.636
  876    HA   VAL 120           HA       VAL 120   0.249   3.098   2.292
  877    HB   VAL 120           HB       VAL 120  -1.684   1.228   0.857
  878   1HG1  VAL 120          2HG1      VAL 120  -0.734   1.398   3.598
  879   2HG1  VAL 120          1HG1      VAL 120  -2.470   1.701   3.512
  880   3HG1  VAL 120          3HG1      VAL 120  -1.803   0.205   2.860
  881   1HG2  VAL 120          3HG2      VAL 120  -2.006   3.932   2.175
  882   2HG2  VAL 120          2HG2      VAL 120  -2.405   3.488   0.519
  883   3HG2  VAL 120          1HG2      VAL 120  -3.366   2.858   1.856
  884    H    PHE 121           H        PHE 121   2.097   2.080   2.935
  885    HA   PHE 121           HA       PHE 121   2.899  -0.428   1.618
  886   1HB   PHE 121          1HB       PHE 121   4.379   1.170   3.728
  887   2HB   PHE 121          2HB       PHE 121   5.036  -0.154   2.776
  888    HD1  PHE 121           HD2      PHE 121   3.130   1.071   0.344
  889    HD2  PHE 121           HD1      PHE 121   6.407   2.441   2.760
  890    HE1  PHE 121           HE2      PHE 121   3.731   2.715  -1.405
  891    HE2  PHE 121           HE1      PHE 121   6.973   4.115   1.022
  892    HZ   PHE 121           HZ       PHE 121   5.649   4.230  -1.067
  893    H    VAL 122           H        VAL 122   2.332  -2.322   2.497
  894    HA   VAL 122           HA       VAL 122   1.461  -2.269   5.327
  895    HB   VAL 122           HB       VAL 122   0.609  -3.702   2.881
  896   1HG1  VAL 122          1HG1      VAL 122   1.080  -5.206   5.427
  897   2HG1  VAL 122          3HG1      VAL 122  -0.388  -5.543   4.519
  898   3HG1  VAL 122          2HG1      VAL 122   1.189  -5.765   3.765
  899   1HG2  VAL 122          1HG2      VAL 122  -0.471  -2.151   4.989
  900   2HG2  VAL 122          3HG2      VAL 122  -1.321  -2.810   3.592
  901   3HG2  VAL 122          2HG2      VAL 122  -1.236  -3.737   5.090
  902    H    LYS 123           H        LYS 123   2.858  -2.955   6.745
  903    HA   LYS 123           HA       LYS 123   5.139  -4.695   6.000
  904   1HB   LYS 123          1HB       LYS 123   4.904  -2.632   7.788
  905   2HB   LYS 123          2HB       LYS 123   4.696  -4.028   8.833
  906   1HG   LYS 123          1HG       LYS 123   7.068  -3.309   8.657
  907   2HG   LYS 123          2HG       LYS 123   6.808  -4.963   8.112
  908   1HD   LYS 123          1HD       LYS 123   7.204  -4.443   5.900
  909   2HD   LYS 123          2HD       LYS 123   6.639  -2.783   6.078
  910   1HE   LYS 123          1HE       LYS 123   8.942  -2.452   5.905
  911   2HE   LYS 123          2HE       LYS 123   8.747  -2.555   7.649
  912   1HZ   LYS 123          3HZ       LYS 123   9.038  -5.146   6.561
  913   2HZ   LYS 123          2HZ       LYS 123  10.321  -4.162   6.042
  914   3HZ   LYS 123          1HZ       LYS 123  10.011  -4.352   7.701
  915    H    ARG 124           H        ARG 124   4.743  -6.887   5.984
  916    HA   ARG 124           HA       ARG 124   2.481  -7.990   7.417
  917   1HB   ARG 124          1HB       ARG 124   3.277  -9.178   5.460
  918   2HB   ARG 124          2HB       ARG 124   4.905  -9.297   6.123
  919   1HG   ARG 124          1HG       ARG 124   4.362 -11.050   7.497
  920   2HG   ARG 124          2HG       ARG 124   2.732 -10.445   7.793
  921   1HD   ARG 124          1HD       ARG 124   2.017 -12.028   6.352
  922   2HD   ARG 124          2HD       ARG 124   2.731 -11.046   5.075
  923    HE   ARG 124           HE       ARG 124   4.665 -12.498   5.091
  924   1HH1  ARG 124          1HH2      ARG 124   1.850 -13.937   6.116
  925   2HH1  ARG 124          2HH2      ARG 124   2.601 -15.265   6.935
  926   1HH2  ARG 124          2HH1      ARG 124   5.804 -13.966   6.671
  927   2HH2  ARG 124          1HH1      ARG 124   4.838 -15.284   7.246
  928    H    VAL 125           H        VAL 125   2.413  -8.008   9.579
  929    HA   VAL 125           HA       VAL 125   4.839  -8.012  11.201
  930    HB   VAL 125           HB       VAL 125   2.223  -8.529  12.529
  931   1HG1  VAL 125          3HG1      VAL 125   4.643  -7.784  13.387
  932   2HG1  VAL 125          2HG1      VAL 125   3.979  -6.184  13.056
  933   3HG1  VAL 125          1HG1      VAL 125   3.166  -7.260  14.194
  934   1HG2  VAL 125          3HG2      VAL 125   2.670  -6.239  10.674
  935   2HG2  VAL 125          2HG2      VAL 125   1.159  -6.995  11.183
  936   3HG2  VAL 125          1HG2      VAL 125   1.979  -5.856  12.251
  937    H2   HC4  69           H2       HC4  69  -6.871  -4.567   3.020
  938    H3   HC4  69           H3       HC4  69  -7.469  -7.398   2.041
  939    H2'  HC4  69           H2'      HC4  69  -5.624  -8.325   0.696
  940    H3'  HC4  69           H3'      HC4  69  -3.379  -8.146  -0.350
  941    H5'  HC4  69           H5'      HC4  69  -2.952  -4.152   1.215
  942    H6'  HC4  69           H6'      HC4  69  -5.208  -4.328   2.243
   
  No H/Q in entry =         942
  Start of MODEL    7
    1   1H    MET   1           H2       MET   1  13.579  11.965  10.537
    2   2H    MET   1           H1       MET   1  13.966  12.989  11.836
    3   3H    MET   1           H3       MET   1  14.613  13.292  10.298
    4    HA   MET   1           HA       MET   1  16.399  12.290  11.264
    5   1HB   MET   1          1HB       MET   1  14.274  10.954  12.890
    6   2HB   MET   1          2HB       MET   1  15.835  10.145  12.741
    7   1HG   MET   1          2HG       MET   1  16.815  12.503  13.326
    8   2HG   MET   1          1HG       MET   1  15.202  12.817  13.964
    9   1HE   MET   1          2HE       MET   1  14.933  12.878  16.063
   10   2HE   MET   1          1HE       MET   1  14.116  11.318  16.113
   11   3HE   MET   1          3HE       MET   1  15.342  11.718  17.324
   12    H    GLU   2           H        GLU   2  14.603  11.610   8.904
   13    HA   GLU   2           HA       GLU   2  14.614  10.048   7.161
   14   1HB   GLU   2          1HB       GLU   2  17.089   8.977   8.543
   15   2HB   GLU   2          2HB       GLU   2  16.653   8.782   6.846
   16   1HG   GLU   2          1HG       GLU   2  17.021  11.070   6.367
   17   2HG   GLU   2          2HG       GLU   2  16.986  11.519   8.072
   18    H    HIS   3           H        HIS   3  12.859   8.745   7.467
   19    HA   HIS   3           HA       HIS   3  13.309   6.107   8.679
   20   1HB   HIS   3          1HB       HIS   3  11.103   6.402  10.019
   21   2HB   HIS   3          2HB       HIS   3  12.571   7.111  10.689
   22    HD1  HIS   3           HD1      HIS   3   9.168   7.968   9.871
   23    HD2  HIS   3           HD2      HIS   3  12.799  10.017   9.837
   24    HE1  HIS   3           HE1      HIS   3   8.598  10.436   9.842
   25    H    VAL   4           H        VAL   4  13.026   6.058   6.194
   26    HA   VAL   4           HA       VAL   4  10.554   6.554   4.919
   27    HB   VAL   4           HB       VAL   4  12.634   5.977   3.706
   28   1HG1  VAL   4          1HG1      VAL   4  12.868   3.965   5.541
   29   2HG1  VAL   4          3HG1      VAL   4  12.270   3.081   4.141
   30   3HG1  VAL   4          2HG1      VAL   4  13.759   4.017   4.020
   31   1HG2  VAL   4          1HG2      VAL   4  10.060   4.528   3.278
   32   2HG2  VAL   4          3HG2      VAL   4  10.922   5.628   2.202
   33   3HG2  VAL   4          2HG2      VAL   4  11.447   3.951   2.357
   34    H    ALA   5           H        ALA   5   8.606   5.746   5.517
   35    HA   ALA   5           HA       ALA   5   6.988   4.217   6.291
   36   1HB   ALA   5          3HB       ALA   5   8.925   2.583   4.666
   37   2HB   ALA   5          2HB       ALA   5   7.551   1.807   5.455
   38   3HB   ALA   5          1HB       ALA   5   7.284   3.076   4.259
   39    H    PHE   6           H        PHE   6   6.929   1.841   7.307
   40    HA   PHE   6           HA       PHE   6   7.723   1.865   9.966
   41   1HB   PHE   6          1HB       PHE   6   8.117  -0.847   9.082
   42   2HB   PHE   6          2HB       PHE   6   6.769  -0.181   9.991
   43    HD1  PHE   6           HD2      PHE   6   8.013  -1.018   6.581
   44    HD2  PHE   6           HD1      PHE   6   4.696   0.434   8.898
   45    HE1  PHE   6           HE2      PHE   6   6.516  -1.323   4.649
   46    HE2  PHE   6           HE1      PHE   6   3.211   0.116   6.949
   47    HZ   PHE   6           HZ       PHE   6   4.126  -0.750   4.833
   48    H    GLY   7           H        GLY   7   9.521   0.313   7.336
   49   1HA   GLY   7          1HA       GLY   7  12.108   1.188   8.248
   50   2HA   GLY   7          2HA       GLY   7  11.830  -0.505   8.687
   51    H    SER   8           H        SER   8  10.635   1.264   5.883
   52    HA   SER   8           HA       SER   8  11.466  -0.896   4.114
   53   1HB   SER   8          1HB       SER   8  10.286   1.708   3.205
   54   2HB   SER   8          2HB       SER   8  10.108   0.100   2.521
   55    HG   SER   8           HG       SER   8   8.260   0.665   3.690
   56    H    GLU   9           H        GLU   9  12.156   0.291   1.782
   57    HA   GLU   9           HA       GLU   9  14.748   1.662   2.429
   58   1HB   GLU   9          1HB       GLU   9  14.046  -0.615   0.681
   59   2HB   GLU   9          2HB       GLU   9  15.124   0.574  -0.053
   60   1HG   GLU   9          1HG       GLU   9  16.547  -1.005   1.049
   61   2HG   GLU   9          2HG       GLU   9  16.526   0.428   2.076
   62    H    ASP  10           H        ASP  10  13.370   3.734   2.137
   63    HA   ASP  10           HA       ASP  10  12.560   5.504   0.781
   64   1HB   ASP  10          1HB       ASP  10  14.974   4.378  -0.575
   65   2HB   ASP  10          2HB       ASP  10  13.992   5.525  -1.486
   66    H    ILE  11           H        ILE  11  10.457   4.528   0.378
   67    HA   ILE  11           HA       ILE  11  10.187   2.788  -1.957
   68    HB   ILE  11           HB       ILE  11   7.842   3.859  -0.598
   69   1HG1  ILE  11          1HG1      ILE  11   9.302   3.455   1.335
   70   2HG1  ILE  11          2HG1      ILE  11   8.082   2.191   1.244
   71   1HG2  ILE  11          1HG2      ILE  11   8.231   1.999  -2.462
   72   2HG2  ILE  11          3HG2      ILE  11   8.384   0.985  -1.030
   73   3HG2  ILE  11          2HG2      ILE  11   6.903   1.896  -1.308
   74   1HD1  ILE  11          2HD1      ILE  11  10.442   1.571  -0.349
   75   2HD1  ILE  11          1HD1      ILE  11  10.796   1.757   1.366
   76   3HD1  ILE  11          3HD1      ILE  11   9.578   0.606   0.837
   77    H    GLU  12           H        GLU  12   8.364   5.696  -0.992
   78    HA   GLU  12           HA       GLU  12   7.154   6.253  -3.363
   79   1HB   GLU  12          1HB       GLU  12   7.162   8.632  -2.770
   80   2HB   GLU  12          2HB       GLU  12   6.912   7.644  -1.331
   81   1HG   GLU  12          1HG       GLU  12   9.309   7.837  -0.779
   82   2HG   GLU  12          2HG       GLU  12   9.561   8.828  -2.215
   83    H    ASN  13           H        ASN  13  10.590   6.894  -2.714
   84    HA   ASN  13           HA       ASN  13  10.977   8.256  -5.277
   85   1HB   ASN  13          1HB       ASN  13  12.617   7.546  -2.941
   86   2HB   ASN  13          2HB       ASN  13  13.476   7.383  -4.472
   87   1HD2  ASN  13          2HD2      ASN  13  13.352  10.998  -3.060
   88   2HD2  ASN  13          1HD2      ASN  13  13.490   9.540  -2.202
   89    H    THR  14           H        THR  14  11.591   5.035  -3.942
   90    HA   THR  14           HA       THR  14  12.633   3.950  -6.442
   91    HB   THR  14           HB       THR  14  11.793   2.814  -3.759
   92    HG1  THR  14           HG1      THR  14  13.828   3.322  -3.597
   93   1HG2  THR  14          1HG2      THR  14  12.197   1.326  -6.329
   94   2HG2  THR  14          3HG2      THR  14  12.786   0.610  -4.833
   95   3HG2  THR  14          2HG2      THR  14  11.076   1.000  -5.009
   96    H    LEU  15           H        LEU  15   9.562   4.877  -5.496
   97    HA   LEU  15           HA       LEU  15   8.200   2.703  -6.950
   98   1HB   LEU  15          1HB       LEU  15   7.237   4.969  -5.194
   99   2HB   LEU  15          2HB       LEU  15   6.146   3.885  -6.054
  100    HG   LEU  15           HG       LEU  15   8.298   2.895  -4.186
  101   1HD1  LEU  15          1HD1      LEU  15   5.651   4.058  -3.627
  102   2HD1  LEU  15          3HD1      LEU  15   5.935   2.488  -2.879
  103   3HD1  LEU  15          2HD1      LEU  15   7.028   3.829  -2.553
  104   1HD2  LEU  15          2HD2      LEU  15   7.014   1.485  -6.033
  105   2HD2  LEU  15          1HD2      LEU  15   7.336   0.810  -4.437
  106   3HD2  LEU  15          3HD2      LEU  15   5.746   1.476  -4.809
  107    H    ALA  16           H        ALA  16   9.197   6.007  -7.252
  108    HA   ALA  16           HA       ALA  16   7.358   6.735  -9.369
  109   1HB   ALA  16          3HB       ALA  16  10.051   7.890  -8.578
  110   2HB   ALA  16          2HB       ALA  16   8.927   8.637  -9.713
  111   3HB   ALA  16          1HB       ALA  16   8.477   8.452  -8.017
  112    H    LYS  17           H        LYS  17  10.484   5.137  -9.188
  113    HA   LYS  17           HA       LYS  17  10.401   4.856 -12.171
  114   1HB   LYS  17          1HB       LYS  17  12.346   6.197 -10.828
  115   2HB   LYS  17          2HB       LYS  17  13.017   4.566 -10.805
  116   1HG   LYS  17          1HG       LYS  17  12.911   4.403 -13.204
  117   2HG   LYS  17          2HG       LYS  17  11.987   5.901 -13.320
  118   1HD   LYS  17          1HD       LYS  17  13.835   7.238 -12.796
  119   2HD   LYS  17          2HD       LYS  17  14.692   5.912 -12.010
  120   1HE   LYS  17          1HE       LYS  17  15.676   6.465 -14.222
  121   2HE   LYS  17          2HE       LYS  17  15.042   4.819 -14.175
  122   1HZ   LYS  17          1HZ       LYS  17  13.456   7.119 -15.160
  123   2HZ   LYS  17          3HZ       LYS  17  14.430   6.178 -16.181
  124   3HZ   LYS  17          2HZ       LYS  17  13.128   5.464 -15.354
  125    H    MET  18           H        MET  18   9.018   2.946 -11.102
  126    HA   MET  18           HA       MET  18  10.901   0.640 -10.829
  127   1HB   MET  18          1HB       MET  18   9.440   1.519  -8.746
  128   2HB   MET  18          2HB       MET  18   8.245   0.466  -9.502
  129   1HG   MET  18          2HG       MET  18  10.497  -1.095  -9.617
  130   2HG   MET  18          1HG       MET  18  10.742  -0.231  -8.099
  131   1HE   MET  18          2HE       MET  18   8.390   0.484  -6.950
  132   2HE   MET  18          1HE       MET  18   7.488  -0.815  -6.174
  133   3HE   MET  18          3HE       MET  18   9.223  -0.635  -5.875
  134    H    ASP  19           H        ASP  19  10.651  -0.136 -12.938
  135    HA   ASP  19           HA       ASP  19   8.099  -0.268 -14.283
  136   1HB   ASP  19          1HB       ASP  19  10.572  -0.439 -15.218
  137   2HB   ASP  19          2HB       ASP  19  10.334  -2.164 -14.935
  138    H    ASP  20           H        ASP  20  10.128  -2.771 -12.728
  139    HA   ASP  20           HA       ASP  20   8.164  -4.086 -11.267
  140   1HB   ASP  20          1HB       ASP  20   7.801  -4.526 -14.117
  141   2HB   ASP  20          2HB       ASP  20   8.139  -6.047 -13.288
  142    H    GLY  21           H        GLY  21  10.034  -4.471 -10.007
  143   1HA   GLY  21          1HA       GLY  21  11.286  -6.740  -9.671
  144   2HA   GLY  21          2HA       GLY  21  12.074  -6.298 -11.186
  145    H    GLN  22           H        GLN  22  11.912  -3.379 -10.327
  146    HA   GLN  22           HA       GLN  22  14.531  -3.101  -9.296
  147   1HB   GLN  22          1HB       GLN  22  12.960  -1.318 -10.353
  148   2HB   GLN  22          2HB       GLN  22  12.366  -1.094  -8.708
  149   1HG   GLN  22          1HG       GLN  22  15.066  -1.068  -8.295
  150   2HG   GLN  22          2HG       GLN  22  14.957  -0.320  -9.889
  151   1HE2  GLN  22          2HE2      GLN  22  12.538   2.163  -8.357
  152   2HE2  GLN  22          1HE2      GLN  22  12.335   0.912  -9.486
  153    H    LEU  23           H        LEU  23  11.401  -2.985  -7.567
  154    HA   LEU  23           HA       LEU  23  12.852  -3.846  -5.118
  155   1HB   LEU  23          1HB       LEU  23  11.791  -1.210  -5.541
  156   2HB   LEU  23          2HB       LEU  23  10.840  -2.008  -4.287
  157    HG   LEU  23           HG       LEU  23  13.113  -2.718  -3.282
  158   1HD1  LEU  23          1HD1      LEU  23  13.920  -1.052  -5.558
  159   2HD1  LEU  23          3HD1      LEU  23  14.655  -0.551  -4.035
  160   3HD1  LEU  23          2HD1      LEU  23  14.868  -2.202  -4.614
  161   1HD2  LEU  23          2HD2      LEU  23  11.485  -0.457  -2.929
  162   2HD2  LEU  23          1HD2      LEU  23  12.701  -1.058  -1.803
  163   3HD2  LEU  23          3HD2      LEU  23  13.130   0.179  -2.983
  164    H    ASP  24           H        ASP  24  11.673  -5.820  -6.073
  165    HA   ASP  24           HA       ASP  24   8.810  -5.842  -5.212
  166   1HB   ASP  24          1HB       ASP  24  10.315  -7.638  -7.138
  167   2HB   ASP  24          2HB       ASP  24   8.638  -7.884  -6.650
  168    H    GLY  25           H        GLY  25  11.888  -6.815  -4.227
  169   1HA   GLY  25          1HA       GLY  25  10.866  -9.238  -2.844
  170   2HA   GLY  25          2HA       GLY  25  12.567  -8.800  -3.014
  171    H    LEU  26           H        LEU  26  10.151  -6.434  -2.055
  172    HA   LEU  26           HA       LEU  26  11.627  -5.819   0.352
  173   1HB   LEU  26          1HB       LEU  26   8.823  -4.930  -0.393
  174   2HB   LEU  26          2HB       LEU  26   9.926  -4.137   0.727
  175    HG   LEU  26           HG       LEU  26  11.026  -4.536  -1.983
  176   1HD1  LEU  26          3HD1      LEU  26   8.564  -2.859  -1.470
  177   2HD1  LEU  26          2HD1      LEU  26   9.705  -2.444  -2.748
  178   3HD1  LEU  26          1HD1      LEU  26   8.859  -3.990  -2.790
  179   1HD2  LEU  26          2HD2      LEU  26  11.405  -2.887   0.299
  180   2HD2  LEU  26          1HD2      LEU  26  12.330  -2.871  -1.202
  181   3HD2  LEU  26          3HD2      LEU  26  10.924  -1.820  -1.021
  182    H    ALA  27           H        ALA  27   9.851  -5.455   2.273
  183    HA   ALA  27           HA       ALA  27   8.771  -8.188   2.834
  184   1HB   ALA  27          3HB       ALA  27  10.621  -7.021   4.323
  185   2HB   ALA  27          2HB       ALA  27   9.239  -6.152   4.992
  186   3HB   ALA  27          1HB       ALA  27   9.305  -7.912   5.086
  187    H    PHE  28           H        PHE  28   7.674  -5.508   1.580
  188    HA   PHE  28           HA       PHE  28   5.041  -5.697   2.899
  189   1HB   PHE  28          1HB       PHE  28   4.961  -3.132   2.812
  190   2HB   PHE  28          2HB       PHE  28   6.006  -3.822   4.055
  191    HD1  PHE  28           HD1      PHE  28   5.949  -2.212   0.715
  192    HD2  PHE  28           HD2      PHE  28   8.414  -3.630   3.926
  193    HE1  PHE  28           HE1      PHE  28   7.920  -1.081  -0.290
  194    HE2  PHE  28           HE2      PHE  28  10.380  -2.492   2.928
  195    HZ   PHE  28           HZ       PHE  28  10.134  -1.230   0.817
  196    H    GLY  29           H        GLY  29   3.499  -4.157   1.569
  197   1HA   GLY  29          1HA       GLY  29   4.058  -4.657  -1.323
  198   2HA   GLY  29          2HA       GLY  29   2.446  -4.558  -0.612
  199    H    ALA  30           H        ALA  30   4.616  -2.792  -2.413
  200    HA   ALA  30           HA       ALA  30   3.831  -0.212  -1.175
  201   1HB   ALA  30          1HB       ALA  30   5.873  -1.007  -3.236
  202   2HB   ALA  30          3HB       ALA  30   5.340   0.669  -3.120
  203   3HB   ALA  30          2HB       ALA  30   6.101  -0.109  -1.736
  204    H    ILE  31           H        ILE  31   1.621  -0.194  -1.731
  205    HA   ILE  31           HA       ILE  31   0.958  -0.293  -4.614
  206    HB   ILE  31           HB       ILE  31  -1.284  -0.645  -3.992
  207   1HG1  ILE  31          1HG1      ILE  31  -1.889  -0.274  -1.436
  208   2HG1  ILE  31          2HG1      ILE  31  -0.532   0.849  -1.497
  209   1HG2  ILE  31          2HG2      ILE  31   0.202  -2.510  -3.275
  210   2HG2  ILE  31          1HG2      ILE  31   0.301  -1.783  -1.671
  211   3HG2  ILE  31          3HG2      ILE  31  -1.244  -2.380  -2.274
  212   1HD1  ILE  31          2HD1      ILE  31  -2.506   1.019  -3.718
  213   2HD1  ILE  31          1HD1      ILE  31  -3.040   1.587  -2.135
  214   3HD1  ILE  31          3HD1      ILE  31  -1.622   2.308  -2.898
  215    H    GLN  32           H        GLN  32  -0.448   1.437  -5.489
  216    HA   GLN  32           HA       GLN  32  -0.065   4.046  -4.098
  217   1HB   GLN  32          1HB       GLN  32   0.952   3.213  -6.724
  218   2HB   GLN  32          2HB       GLN  32   0.025   4.712  -6.774
  219   1HG   GLN  32          1HG       GLN  32   1.415   5.675  -5.011
  220   2HG   GLN  32          2HG       GLN  32   2.306   4.160  -4.855
  221   1HE2  GLN  32          2HE2      GLN  32   4.438   6.168  -7.054
  222   2HE2  GLN  32          1HE2      GLN  32   4.031   6.074  -5.410
  223    H    LEU  33           H        LEU  33  -1.561   5.725  -5.363
  224    HA   LEU  33           HA       LEU  33  -3.956   4.459  -6.483
  225   1HB   LEU  33          1HB       LEU  33  -3.896   5.743  -3.752
  226   2HB   LEU  33          2HB       LEU  33  -5.375   5.735  -4.713
  227    HG   LEU  33           HG       LEU  33  -3.786   3.288  -3.881
  228   1HD1  LEU  33          1HD1      LEU  33  -5.348   4.650  -2.233
  229   2HD1  LEU  33          3HD1      LEU  33  -6.628   3.816  -3.113
  230   3HD1  LEU  33          2HD1      LEU  33  -5.391   2.888  -2.264
  231   1HD2  LEU  33          3HD2      LEU  33  -5.738   3.748  -5.983
  232   2HD2  LEU  33          2HD2      LEU  33  -4.806   2.292  -5.633
  233   3HD2  LEU  33          1HD2      LEU  33  -6.341   2.576  -4.811
  234    H    ASP  34           H        ASP  34  -5.228   5.967  -7.626
  235    HA   ASP  34           HA       ASP  34  -4.006   8.660  -7.912
  236   1HB   ASP  34          1HB       ASP  34  -4.448   7.163  -9.960
  237   2HB   ASP  34          2HB       ASP  34  -6.163   7.440  -9.659
  238    H    GLY  35           H        GLY  35  -5.800  10.413  -8.221
  239   1HA   GLY  35          1HA       GLY  35  -7.230  10.763  -5.872
  240   2HA   GLY  35          2HA       GLY  35  -7.688  11.531  -7.387
  241    H    ASP  36           H        ASP  36  -8.209   8.673  -8.507
  242    HA   ASP  36           HA       ASP  36 -10.990   8.577  -7.469
  243   1HB   ASP  36          1HB       ASP  36  -9.632   7.299  -9.854
  244   2HB   ASP  36          2HB       ASP  36 -11.305   6.968  -9.406
  245    H    GLY  37           H        GLY  37  -8.356   7.314  -6.271
  246   1HA   GLY  37          1HA       GLY  37  -7.999   5.503  -4.825
  247   2HA   GLY  37          2HA       GLY  37  -9.658   4.995  -5.142
  248    H    ASN  38           H        ASN  38  -7.443   5.629  -7.792
  249    HA   ASN  38           HA       ASN  38  -7.728   2.747  -8.529
  250   1HB   ASN  38          1HB       ASN  38  -6.637   5.026 -10.194
  251   2HB   ASN  38          2HB       ASN  38  -7.058   3.412 -10.765
  252   1HD2  ASN  38          2HD2      ASN  38 -10.131   5.077 -11.609
  253   2HD2  ASN  38          1HD2      ASN  38  -8.617   4.632 -12.236
  254    H    ILE  39           H        ILE  39  -6.096   1.331  -8.333
  255    HA   ILE  39           HA       ILE  39  -3.613   1.914  -7.145
  256    HB   ILE  39           HB       ILE  39  -4.919  -0.394  -8.168
  257   1HG1  ILE  39          1HG1      ILE  39  -2.579  -1.266  -6.951
  258   2HG1  ILE  39          2HG1      ILE  39  -2.822   0.342  -6.262
  259   1HG2  ILE  39          2HG2      ILE  39  -3.406  -0.163 -10.170
  260   2HG2  ILE  39          1HG2      ILE  39  -2.031  -0.337  -9.082
  261   3HG2  ILE  39          3HG2      ILE  39  -3.182  -1.661  -9.266
  262   1HD1  ILE  39          2HD1      ILE  39  -4.984  -1.779  -6.405
  263   2HD1  ILE  39          1HD1      ILE  39  -3.983  -1.488  -4.983
  264   3HD1  ILE  39          3HD1      ILE  39  -5.074  -0.231  -5.566
  265    H    LEU  40           H        LEU  40  -1.702   2.668  -7.859
  266    HA   LEU  40           HA       LEU  40  -1.434   3.279 -10.773
  267   1HB   LEU  40          1HB       LEU  40   0.412   4.318  -8.619
  268   2HB   LEU  40          2HB       LEU  40   0.053   5.022 -10.195
  269    HG   LEU  40           HG       LEU  40  -1.955   4.789  -7.935
  270   1HD1  LEU  40          3HD1      LEU  40   0.208   6.576  -8.189
  271   2HD1  LEU  40          2HD1      LEU  40  -1.217   7.480  -8.702
  272   3HD1  LEU  40          1HD1      LEU  40  -1.176   6.731  -7.106
  273   1HD2  LEU  40          1HD2      LEU  40  -2.360   5.079 -10.654
  274   2HD2  LEU  40          3HD2      LEU  40  -3.491   5.582  -9.399
  275   3HD2  LEU  40          2HD2      LEU  40  -2.358   6.748 -10.085
  276    H    GLN  41           H        GLN  41  -0.073   1.644  -8.007
  277    HA   GLN  41           HA       GLN  41   1.418  -0.178  -9.734
  278   1HB   GLN  41          1HB       GLN  41   3.437   0.306  -7.935
  279   2HB   GLN  41          2HB       GLN  41   3.406   0.899  -9.588
  280   1HG   GLN  41          1HG       GLN  41   3.680   2.935  -8.632
  281   2HG   GLN  41          2HG       GLN  41   1.964   2.847  -8.276
  282   1HE2  GLN  41          2HE2      GLN  41   2.687   1.662  -4.847
  283   2HE2  GLN  41          1HE2      GLN  41   1.704   1.194  -6.144
  284    H    TYR  42           H        TYR  42   2.784  -1.643  -7.937
  285    HA   TYR  42           HA       TYR  42   1.208  -2.000  -5.474
  286   1HB   TYR  42          1HB       TYR  42   0.201  -3.120  -7.750
  287   2HB   TYR  42          2HB       TYR  42   1.209  -4.426  -7.154
  288    HD1  TYR  42           HD1      TYR  42  -0.947  -1.857  -5.467
  289    HD2  TYR  42           HD2      TYR  42  -0.064  -6.005  -6.054
  290    HE1  TYR  42           HE1      TYR  42  -2.759  -2.476  -3.877
  291    HE2  TYR  42           HE2      TYR  42  -1.879  -6.621  -4.520
  292    HH   TYR  42           HH       TYR  42  -3.166  -5.808  -2.803
  293    H    ASN  43           H        ASN  43   3.123  -4.018  -7.669
  294    HA   ASN  43           HA       ASN  43   5.412  -4.684  -7.399
  295   1HB   ASN  43          1HB       ASN  43   6.615  -4.516  -5.426
  296   2HB   ASN  43          2HB       ASN  43   5.460  -3.209  -5.209
  297   1HD2  ASN  43          2HD2      ASN  43   5.587  -5.474  -2.162
  298   2HD2  ASN  43          1HD2      ASN  43   6.811  -4.730  -3.066
  299    H    ALA  44           H        ALA  44   6.280  -6.842  -6.212
  300    HA   ALA  44           HA       ALA  44   4.069  -8.772  -6.625
  301   1HB   ALA  44          1HB       ALA  44   6.649  -8.776  -7.504
  302   2HB   ALA  44          3HB       ALA  44   6.785  -9.792  -6.070
  303   3HB   ALA  44          2HB       ALA  44   5.657 -10.226  -7.354
  304    H    ALA  45           H        ALA  45   6.402  -7.831  -4.129
  305    HA   ALA  45           HA       ALA  45   6.136  -9.851  -2.246
  306   1HB   ALA  45          3HB       ALA  45   7.215  -7.358  -2.198
  307   2HB   ALA  45          2HB       ALA  45   5.832  -7.127  -1.130
  308   3HB   ALA  45          1HB       ALA  45   7.032  -8.366  -0.763
  309    H    GLU  46           H        GLU  46   3.930  -7.081  -2.618
  310    HA   GLU  46           HA       GLU  46   2.216  -7.828  -0.492
  311   1HB   GLU  46          1HB       GLU  46   1.091  -5.916  -1.068
  312   2HB   GLU  46          2HB       GLU  46   2.397  -5.669  -2.205
  313   1HG   GLU  46          1HG       GLU  46   0.345  -5.371  -3.378
  314   2HG   GLU  46          2HG       GLU  46   0.968  -6.943  -3.883
  315    HE2  GLU  46           HE1      GLU  46  -1.394  -8.808  -2.609
  316    H    GLY  47           H        GLY  47   1.981  -8.541  -3.969
  317   1HA   GLY  47          1HA       GLY  47  -0.493  -9.999  -3.843
  318   2HA   GLY  47          2HA       GLY  47   0.760 -10.201  -5.088
  319    H    ASP  48           H        ASP  48   2.673 -10.784  -2.673
  320    HA   ASP  48           HA       ASP  48   2.326 -13.681  -2.840
  321   1HB   ASP  48          1HB       ASP  48   4.579 -12.669  -2.868
  322   2HB   ASP  48          2HB       ASP  48   4.304 -12.016  -1.253
  323    H    ILE  49           H        ILE  49   1.763 -11.132  -0.447
  324    HA   ILE  49           HA       ILE  49   1.186 -13.095   1.627
  325    HB   ILE  49           HB       ILE  49   1.598 -10.230   1.436
  326   1HG1  ILE  49          1HG1      ILE  49   3.136 -11.907   2.459
  327   2HG1  ILE  49          2HG1      ILE  49   2.721 -10.583   3.546
  328   1HG2  ILE  49          3HG2      ILE  49  -0.751 -10.187   2.188
  329   2HG2  ILE  49          2HG2      ILE  49  -0.324 -11.250   3.526
  330   3HG2  ILE  49          1HG2      ILE  49   0.349  -9.622   3.444
  331   1HD1  ILE  49          3HD1      ILE  49   1.157 -13.169   3.542
  332   2HD1  ILE  49          2HD1      ILE  49   2.615 -12.972   4.514
  333   3HD1  ILE  49          1HD1      ILE  49   1.220 -11.930   4.794
  334    H    THR  50           H        THR  50  -0.726 -10.656  -0.204
  335    HA   THR  50           HA       THR  50  -3.186 -11.935   0.798
  336    HB   THR  50           HB       THR  50  -4.245  -9.982   0.379
  337    HG1  THR  50           HG1      THR  50  -3.929  -8.949  -1.767
  338   1HG2  THR  50          2HG2      THR  50  -1.660  -9.274   0.788
  339   2HG2  THR  50          1HG2      THR  50  -1.938  -8.551  -0.789
  340   3HG2  THR  50          3HG2      THR  50  -2.964  -8.117   0.571
  341    H    GLY  51           H        GLY  51  -1.106 -12.278  -1.878
  342   1HA   GLY  51          1HA       GLY  51  -1.331 -13.977  -3.540
  343   2HA   GLY  51          2HA       GLY  51  -3.040 -14.095  -3.131
  344    H    ARG  52           H        ARG  52  -2.828 -10.923  -3.264
  345    HA   ARG  52           HA       ARG  52  -4.091 -10.610  -5.773
  346   1HB   ARG  52          1HB       ARG  52  -3.020  -8.861  -3.673
  347   2HB   ARG  52          2HB       ARG  52  -2.983  -8.129  -5.278
  348   1HG   ARG  52          1HG       ARG  52  -5.384  -8.901  -5.515
  349   2HG   ARG  52          2HG       ARG  52  -5.335  -9.281  -3.798
  350   1HD   ARG  52          1HD       ARG  52  -4.329  -6.651  -4.103
  351   2HD   ARG  52          2HD       ARG  52  -5.813  -6.748  -5.046
  352    HE   ARG  52           HE       ARG  52  -5.772  -6.558  -2.212
  353   1HH1  ARG  52          2HH1      ARG  52  -7.451  -7.901  -4.894
  354   2HH1  ARG  52          1HH1      ARG  52  -8.679  -8.662  -3.942
  355   1HH2  ARG  52          1HH2      ARG  52  -7.227  -7.864  -0.911
  356   2HH2  ARG  52          2HH2      ARG  52  -8.551  -8.644  -1.703
  357    H    ASP  53           H        ASP  53  -3.057  -9.010  -7.487
  358    HA   ASP  53           HA       ASP  53  -0.244  -9.889  -8.005
  359   1HB   ASP  53          1HB       ASP  53  -2.635 -10.378  -9.574
  360   2HB   ASP  53          2HB       ASP  53  -1.473  -9.426 -10.498
  361    HA   PRO  54           HA       PRO  54   0.527  -5.616  -8.676
  362   1HB   PRO  54          1HB       PRO  54   2.537  -5.727 -10.552
  363   2HB   PRO  54          2HB       PRO  54   2.770  -6.098  -8.835
  364   1HG   PRO  54          1HG       PRO  54   2.603  -7.970 -11.155
  365   2HG   PRO  54          2HG       PRO  54   3.448  -8.170  -9.611
  366   1HD   PRO  54          1HD       PRO  54   0.977  -9.348 -10.290
  367   2HD   PRO  54          2HD       PRO  54   1.644  -9.211  -8.648
  368    H    LYS  55           H        LYS  55   0.155  -7.540 -11.652
  369    HA   LYS  55           HA       LYS  55  -0.681  -5.153 -13.144
  370   1HB   LYS  55          1HB       LYS  55  -0.894  -6.734 -15.055
  371   2HB   LYS  55          2HB       LYS  55   0.705  -6.794 -14.313
  372   1HG   LYS  55          1HG       LYS  55   0.439  -8.952 -13.702
  373   2HG   LYS  55          2HG       LYS  55  -1.162  -8.636 -13.033
  374   1HD   LYS  55          1HD       LYS  55  -0.959  -8.579 -15.993
  375   2HD   LYS  55          2HD       LYS  55  -0.764 -10.160 -15.234
  376   1HE   LYS  55          1HE       LYS  55  -2.884  -9.712 -13.945
  377   2HE   LYS  55          2HE       LYS  55  -3.106  -8.264 -14.928
  378   1HZ   LYS  55          3HZ       LYS  55  -3.082  -9.647 -16.907
  379   2HZ   LYS  55          2HZ       LYS  55  -2.869 -11.039 -15.959
  380   3HZ   LYS  55          1HZ       LYS  55  -4.309 -10.145 -15.846
  381    H    GLN  56           H        GLN  56  -2.082  -7.860 -11.467
  382    HA   GLN  56           HA       GLN  56  -4.697  -7.661 -12.721
  383   1HB   GLN  56          1HB       GLN  56  -3.788  -9.696 -11.479
  384   2HB   GLN  56          2HB       GLN  56  -4.083  -8.806  -9.985
  385   1HG   GLN  56          1HG       GLN  56  -6.298  -9.225 -10.076
  386   2HG   GLN  56          2HG       GLN  56  -6.390  -8.704 -11.759
  387   1HE2  GLN  56          2HE2      GLN  56  -5.618 -12.067 -12.989
  388   2HE2  GLN  56          1HE2      GLN  56  -5.160 -10.459 -13.286
  389    H    VAL  57           H        VAL  57  -3.154  -6.327  -9.823
  390    HA   VAL  57           HA       VAL  57  -5.560  -5.065  -8.826
  391    HB   VAL  57           HB       VAL  57  -3.981  -3.716  -7.442
  392   1HG1  VAL  57          2HG1      VAL  57  -4.278  -6.602  -7.517
  393   2HG1  VAL  57          1HG1      VAL  57  -2.738  -6.143  -6.794
  394   3HG1  VAL  57          3HG1      VAL  57  -4.243  -5.520  -6.124
  395   1HG2  VAL  57          1HG2      VAL  57  -2.133  -4.717  -9.486
  396   2HG2  VAL  57          3HG2      VAL  57  -1.950  -3.356  -8.380
  397   3HG2  VAL  57          2HG2      VAL  57  -1.541  -4.985  -7.847
  398    H    ILE  58           H        ILE  58  -3.620  -4.421 -11.534
  399    HA   ILE  58           HA       ILE  58  -3.792  -1.539 -11.452
  400    HB   ILE  58           HB       ILE  58  -2.829  -3.595 -13.346
  401   1HG1  ILE  58          1HG1      ILE  58  -1.964  -0.728 -13.108
  402   2HG1  ILE  58          2HG1      ILE  58  -1.637  -1.865 -11.801
  403   1HG2  ILE  58          2HG2      ILE  58  -3.924  -0.962 -14.411
  404   2HG2  ILE  58          1HG2      ILE  58  -2.889  -2.068 -15.315
  405   3HG2  ILE  58          3HG2      ILE  58  -4.510  -2.571 -14.836
  406   1HD1  ILE  58          3HD1      ILE  58  -0.974  -2.805 -14.541
  407   2HD1  ILE  58          2HD1      ILE  58   0.044  -1.519 -13.895
  408   3HD1  ILE  58          1HD1      ILE  58  -0.101  -3.047 -13.028
  409    H    GLY  59           H        GLY  59  -5.575  -0.390 -11.726
  410   1HA   GLY  59          1HA       GLY  59  -7.639   0.221 -12.842
  411   2HA   GLY  59          2HA       GLY  59  -7.767  -1.437 -13.442
  412    H    LYS  60           H        LYS  60  -6.961  -2.316 -10.600
  413    HA   LYS  60           HA       LYS  60  -9.673  -2.613  -9.581
  414   1HB   LYS  60          1HB       LYS  60  -7.015  -3.382  -8.309
  415   2HB   LYS  60          2HB       LYS  60  -8.609  -3.926  -7.783
  416   1HG   LYS  60          1HG       LYS  60  -7.489  -4.432 -10.557
  417   2HG   LYS  60          2HG       LYS  60  -7.389  -5.590  -9.230
  418   1HD   LYS  60          1HD       LYS  60  -9.997  -5.145  -9.074
  419   2HD   LYS  60          2HD       LYS  60  -9.793  -4.670 -10.761
  420   1HE   LYS  60          1HE       LYS  60  -9.032  -6.806 -11.399
  421   2HE   LYS  60          2HE       LYS  60  -8.639  -7.262  -9.742
  422   1HZ   LYS  60          3HZ       LYS  60 -11.409  -6.574 -10.151
  423   2HZ   LYS  60          2HZ       LYS  60 -10.904  -7.936 -11.031
  424   3HZ   LYS  60          1HZ       LYS  60 -10.727  -7.900  -9.342
  425    H    ASN  61           H        ASN  61 -10.607  -1.330  -8.050
  426    HA   ASN  61           HA       ASN  61  -9.200   1.041  -7.125
  427   1HB   ASN  61          1HB       ASN  61 -11.915   0.111  -7.232
  428   2HB   ASN  61          2HB       ASN  61 -11.552   0.572  -5.567
  429   1HD2  ASN  61          2HD2      ASN  61 -10.956   3.512  -8.388
  430   2HD2  ASN  61          1HD2      ASN  61 -10.474   1.924  -8.740
  431    H    PHE  62           H        PHE  62  -7.982   1.166  -5.288
  432    HA   PHE  62           HA       PHE  62  -7.358  -1.130  -3.709
  433   1HB   PHE  62          1HB       PHE  62  -5.909   0.886  -3.936
  434   2HB   PHE  62          2HB       PHE  62  -7.045   1.767  -2.909
  435    HD1  PHE  62           HD1      PHE  62  -4.637  -1.004  -3.059
  436    HD2  PHE  62           HD2      PHE  62  -7.237   1.295  -0.541
  437    HE1  PHE  62           HE1      PHE  62  -3.549  -1.983  -1.047
  438    HE2  PHE  62           HE2      PHE  62  -6.160   0.317   1.470
  439    HZ   PHE  62           HZ       PHE  62  -4.326  -1.329   1.216
  440    H    PHE  63           H        PHE  63 -10.107   0.873  -3.607
  441    HA   PHE  63           HA       PHE  63 -10.686  -0.071  -0.834
  442   1HB   PHE  63          1HB       PHE  63 -11.606   2.482  -2.190
  443   2HB   PHE  63          2HB       PHE  63 -12.078   1.961  -0.572
  444    HD1  PHE  63           HD1      PHE  63 -10.218   1.530   1.144
  445    HD2  PHE  63           HD2      PHE  63  -9.588   3.668  -2.527
  446    HE1  PHE  63           HE1      PHE  63  -8.147   2.519   2.074
  447    HE2  PHE  63           HE2      PHE  63  -7.514   4.659  -1.594
  448    HZ   PHE  63           HZ       PHE  63  -6.792   4.082   0.707
  449    H    LYS  64           H        LYS  64 -11.323  -1.440  -3.397
  450    HA   LYS  64           HA       LYS  64 -14.223  -1.708  -2.904
  451   1HB   LYS  64          1HB       LYS  64 -13.935   0.043  -4.696
  452   2HB   LYS  64          2HB       LYS  64 -13.189  -1.199  -5.703
  453   1HG   LYS  64          1HG       LYS  64 -15.221  -2.567  -5.561
  454   2HG   LYS  64          2HG       LYS  64 -15.971  -1.367  -4.509
  455   1HD   LYS  64          1HD       LYS  64 -16.132   0.227  -6.236
  456   2HD   LYS  64          2HD       LYS  64 -14.931  -0.598  -7.232
  457   1HE   LYS  64          1HE       LYS  64 -17.636  -1.770  -6.528
  458   2HE   LYS  64          2HE       LYS  64 -17.291  -0.922  -8.034
  459   1HZ   LYS  64          3HZ       LYS  64 -15.420  -2.559  -8.324
  460   2HZ   LYS  64          2HZ       LYS  64 -16.107  -3.451  -7.053
  461   3HZ   LYS  64          1HZ       LYS  64 -16.985  -3.191  -8.483
  462    H    ASP  65           H        ASP  65 -11.478  -2.814  -4.927
  463    HA   ASP  65           HA       ASP  65 -12.552  -5.582  -4.561
  464   1HB   ASP  65          1HB       ASP  65 -12.743  -4.460  -6.920
  465   2HB   ASP  65          2HB       ASP  65 -11.016  -4.806  -7.024
  466    H    VAL  66           H        VAL  66 -10.064  -3.621  -3.683
  467    HA   VAL  66           HA       VAL  66  -8.045  -5.814  -3.906
  468    HB   VAL  66           HB       VAL  66  -7.638  -2.880  -3.362
  469   1HG1  VAL  66          1HG1      VAL  66  -5.921  -4.714  -2.636
  470   2HG1  VAL  66          3HG1      VAL  66  -5.566  -4.802  -4.360
  471   3HG1  VAL  66          2HG1      VAL  66  -5.342  -3.286  -3.490
  472   1HG2  VAL  66          3HG2      VAL  66  -8.531  -3.641  -5.674
  473   2HG2  VAL  66          2HG2      VAL  66  -7.116  -2.586  -5.625
  474   3HG2  VAL  66          1HG2      VAL  66  -6.917  -4.319  -5.892
  475    H    ALA  67           H        ALA  67  -9.770  -3.630  -1.822
  476    HA   ALA  67           HA       ALA  67  -9.013  -5.235   0.512
  477   1HB   ALA  67          1HB       ALA  67  -8.271  -2.317   0.205
  478   2HB   ALA  67          3HB       ALA  67  -8.189  -3.208   1.724
  479   3HB   ALA  67          2HB       ALA  67  -7.162  -3.675   0.369
  480    HA   PRO  68           HA       PRO  68 -13.280  -3.572   0.662
  481   1HB   PRO  68          1HB       PRO  68 -14.372  -5.883   1.679
  482   2HB   PRO  68          2HB       PRO  68 -14.168  -5.574  -0.054
  483   1HG   PRO  68          1HG       PRO  68 -12.574  -7.354   1.740
  484   2HG   PRO  68          2HG       PRO  68 -12.877  -7.495  -0.001
  485   1HD   PRO  68          1HD       PRO  68 -10.499  -6.537   1.163
  486   2HD   PRO  68          2HD       PRO  68 -10.986  -6.300  -0.530
  487    H    CYS  69           H        CYS  69 -10.953  -4.546   2.893
  488    HA   CYS  69           HA       CYS  69 -12.667  -4.133   5.267
  489   1HB   CYS  69          1HB       CYS  69 -10.734  -4.868   6.535
  490   2HB   CYS  69          2HB       CYS  69 -10.930  -5.971   5.171
  491    H    THR  70           H        THR  70 -10.240  -2.538   3.324
  492    HA   THR  70           HA       THR  70  -9.439  -0.535   5.198
  493    HB   THR  70           HB       THR  70  -8.671   0.716   3.187
  494    HG1  THR  70           HG1      THR  70 -10.624  -0.312   1.986
  495   1HG2  THR  70          1HG2      THR  70  -8.132  -2.214   3.521
  496   2HG2  THR  70          3HG2      THR  70  -7.382  -1.343   2.182
  497   3HG2  THR  70          2HG2      THR  70  -7.077  -0.838   3.844
  498    H    ASP  71           H        ASP  71 -12.369  -0.970   3.419
  499    HA   ASP  71           HA       ASP  71 -13.211   1.747   3.190
  500   1HB   ASP  71          1HB       ASP  71 -15.514   0.816   3.155
  501   2HB   ASP  71          2HB       ASP  71 -14.429  -0.086   2.097
  502    H    SER  72           H        SER  72 -12.627   2.871   5.096
  503    HA   SER  72           HA       SER  72 -14.559   2.889   7.215
  504   1HB   SER  72          1HB       SER  72 -12.344   1.035   7.513
  505   2HB   SER  72          2HB       SER  72 -12.302   2.269   8.769
  506    HG   SER  72           HG       SER  72 -14.400   0.493   8.089
  507    HA   PRO  73           HA       PRO  73 -12.590   6.751   7.981
  508   1HB   PRO  73          1HB       PRO  73 -12.812   7.049  10.703
  509   2HB   PRO  73          2HB       PRO  73 -14.178   7.196   9.584
  510   1HG   PRO  73          1HG       PRO  73 -13.508   4.965  11.445
  511   2HG   PRO  73          2HG       PRO  73 -15.086   5.463  10.814
  512   1HD   PRO  73          1HD       PRO  73 -13.551   3.271   9.896
  513   2HD   PRO  73          2HD       PRO  73 -14.953   3.983   9.068
  514    H    GLU  74           H        GLU  74 -11.064   3.965   9.180
  515    HA   GLU  74           HA       GLU  74  -8.818   5.517  10.324
  516   1HB   GLU  74          1HB       GLU  74  -9.361   2.545  10.366
  517   2HB   GLU  74          2HB       GLU  74  -8.005   3.347  11.158
  518   1HG   GLU  74          1HG       GLU  74  -9.364   4.372  12.755
  519   2HG   GLU  74          2HG       GLU  74 -10.803   4.266  11.741
  520    H    PHE  75           H        PHE  75  -9.684   3.399   7.687
  521    HA   PHE  75           HA       PHE  75  -6.869   3.439   6.694
  522   1HB   PHE  75          1HB       PHE  75  -8.603   1.358   6.814
  523   2HB   PHE  75          2HB       PHE  75  -9.002   1.984   5.216
  524    HD1  PHE  75           HD2      PHE  75  -7.021   2.487   3.622
  525    HD2  PHE  75           HD1      PHE  75  -6.724  -0.030   7.086
  526    HE1  PHE  75           HE2      PHE  75  -5.004   1.420   2.670
  527    HE2  PHE  75           HE1      PHE  75  -4.697  -1.098   6.135
  528    HZ   PHE  75           HZ       PHE  75  -3.834  -0.371   3.925
  529    H    TYR  76           H        TYR  76 -10.103   3.586   5.142
  530    HA   TYR  76           HA       TYR  76  -9.102   5.367   3.071
  531   1HB   TYR  76          1HB       TYR  76 -11.070   3.702   2.878
  532   2HB   TYR  76          2HB       TYR  76 -12.017   4.921   3.730
  533    HD1  TYR  76           HD2      TYR  76  -9.313   5.244   1.148
  534    HD2  TYR  76           HD1      TYR  76 -13.425   5.955   2.169
  535    HE1  TYR  76           HE2      TYR  76  -9.621   6.494  -0.977
  536    HE2  TYR  76           HE1      TYR  76 -13.735   7.203   0.050
  537    HH   TYR  76           HH       TYR  76 -11.211   8.314  -1.817
  538    H    GLY  77           H        GLY  77 -10.298   5.752   6.269
  539   1HA   GLY  77          1HA       GLY  77 -11.445   8.369   6.071
  540   2HA   GLY  77          2HA       GLY  77 -10.794   7.650   7.536
  541    H    LYS  78           H        LYS  78  -8.251   7.399   7.336
  542    HA   LYS  78           HA       LYS  78  -7.211  10.076   7.299
  543   1HB   LYS  78          1HB       LYS  78  -5.430   7.661   7.068
  544   2HB   LYS  78          2HB       LYS  78  -5.166   9.153   7.968
  545   1HG   LYS  78          1HG       LYS  78  -6.931   6.818   8.673
  546   2HG   LYS  78          2HG       LYS  78  -5.703   7.604   9.660
  547   1HD   LYS  78          1HD       LYS  78  -7.456   9.673   9.183
  548   2HD   LYS  78          2HD       LYS  78  -8.549   8.293   9.285
  549   1HE   LYS  78          1HE       LYS  78  -8.327   8.251  11.526
  550   2HE   LYS  78          2HE       LYS  78  -6.579   8.073  11.370
  551   1HZ   LYS  78          3HZ       LYS  78  -6.758  10.621  10.830
  552   2HZ   LYS  78          2HZ       LYS  78  -8.179  10.493  11.753
  553   3HZ   LYS  78          1HZ       LYS  78  -6.681  10.066  12.431
  554    H    PHE  79           H        PHE  79  -7.760   7.854   4.782
  555    HA   PHE  79           HA       PHE  79  -5.717   8.926   3.015
  556   1HB   PHE  79          1HB       PHE  79  -6.346   6.629   2.700
  557   2HB   PHE  79          2HB       PHE  79  -8.052   7.054   2.653
  558    HD1  PHE  79           HD1      PHE  79  -8.901   8.490   0.733
  559    HD2  PHE  79           HD2      PHE  79  -5.025   6.622   0.688
  560    HE1  PHE  79           HE1      PHE  79  -8.805   8.728  -1.735
  561    HE2  PHE  79           HE2      PHE  79  -4.959   6.846  -1.761
  562    HZ   PHE  79           HZ       PHE  79  -6.831   7.900  -2.973
  563    H    LYS  80           H        LYS  80  -9.159   9.315   3.602
  564    HA   LYS  80           HA       LYS  80  -9.516  11.140   1.401
  565   1HB   LYS  80          1HB       LYS  80 -11.204   9.994   3.550
  566   2HB   LYS  80          2HB       LYS  80 -11.672  11.596   2.977
  567   1HG   LYS  80          1HG       LYS  80 -11.096   9.313   1.081
  568   2HG   LYS  80          2HG       LYS  80 -12.707   9.605   1.740
  569   1HD   LYS  80          1HD       LYS  80 -12.460  12.008   0.892
  570   2HD   LYS  80          2HD       LYS  80 -11.058  11.434  -0.014
  571   1HE   LYS  80          1HE       LYS  80 -12.378   9.910  -1.288
  572   2HE   LYS  80          2HE       LYS  80 -13.760  10.094  -0.208
  573   1HZ   LYS  80          1HZ       LYS  80 -12.810  12.555  -1.385
  574   2HZ   LYS  80          3HZ       LYS  80 -13.434  11.443  -2.502
  575   3HZ   LYS  80          2HZ       LYS  80 -14.397  11.974  -1.206
  576    H    GLU  81           H        GLU  81  -8.115  11.284   4.449
  577    HA   GLU  81           HA       GLU  81  -8.747  14.168   4.847
  578   1HB   GLU  81          1HB       GLU  81  -6.998  12.383   6.571
  579   2HB   GLU  81          2HB       GLU  81  -7.725  13.928   7.017
  580   1HG   GLU  81          1HG       GLU  81  -9.764  12.095   6.094
  581   2HG   GLU  81          2HG       GLU  81  -8.828  11.361   7.396
  582    H    GLY  82           H        GLY  82  -6.109  11.937   4.203
  583   1HA   GLY  82          1HA       GLY  82  -4.002  13.898   4.094
  584   2HA   GLY  82          2HA       GLY  82  -3.952  12.302   3.333
  585    H    VAL  83           H        VAL  83  -6.220  12.490   1.735
  586    HA   VAL  83           HA       VAL  83  -5.244  13.785  -0.608
  587    HB   VAL  83           HB       VAL  83  -8.105  13.055   0.096
  588   1HG1  VAL  83          2HG1      VAL  83  -6.908  14.326  -2.213
  589   2HG1  VAL  83          1HG1      VAL  83  -7.616  12.774  -2.660
  590   3HG1  VAL  83          3HG1      VAL  83  -8.610  14.003  -1.879
  591   1HG2  VAL  83          1HG2      VAL  83  -5.928  11.357  -0.133
  592   2HG2  VAL  83          3HG2      VAL  83  -7.613  10.893  -0.368
  593   3HG2  VAL  83          2HG2      VAL  83  -6.621  11.329  -1.755
  594    H    ALA  84           H        ALA  84  -7.586  14.862   1.847
  595    HA   ALA  84           HA       ALA  84  -7.886  17.455   0.445
  596   1HB   ALA  84          3HB       ALA  84  -9.803  16.086   1.494
  597   2HB   ALA  84          2HB       ALA  84  -9.200  16.684   3.041
  598   3HB   ALA  84          1HB       ALA  84  -9.765  17.819   1.815
  599    H    SER  85           H        SER  85  -5.687  16.266   2.618
  600    HA   SER  85           HA       SER  85  -5.555  18.837   4.128
  601   1HB   SER  85          1HB       SER  85  -5.616  16.617   5.381
  602   2HB   SER  85          2HB       SER  85  -4.007  16.310   4.734
  603    HG   SER  85           HG       SER  85  -3.599  17.338   6.590
  604    H    GLY  86           H        GLY  86  -3.937  16.972   1.700
  605   1HA   GLY  86          1HA       GLY  86  -2.148  17.693   0.320
  606   2HA   GLY  86          2HA       GLY  86  -2.012  19.145   1.320
  607    H    ASN  87           H        ASN  87  -2.058  15.997   2.811
  608    HA   ASN  87           HA       ASN  87   0.810  15.611   2.877
  609   1HB   ASN  87          1HB       ASN  87   0.005  17.612   4.552
  610   2HB   ASN  87          2HB       ASN  87  -0.132  16.211   5.615
  611   1HD2  ASN  87          2HD2      ASN  87   3.561  17.440   4.355
  612   2HD2  ASN  87          1HD2      ASN  87   2.161  18.096   3.654
  613    H    LEU  88           H        LEU  88  -0.612  13.651   2.168
  614    HA   LEU  88           HA       LEU  88  -2.014  12.180   4.223
  615   1HB   LEU  88          1HB       LEU  88  -2.123  11.998   1.596
  616   2HB   LEU  88          2HB       LEU  88  -0.819  10.833   1.828
  617    HG   LEU  88           HG       LEU  88  -2.944  10.405   3.756
  618   1HD1  LEU  88          3HD1      LEU  88  -3.742  11.050   1.031
  619   2HD1  LEU  88          2HD1      LEU  88  -4.206   9.406   1.470
  620   3HD1  LEU  88          1HD1      LEU  88  -4.749  10.767   2.452
  621   1HD2  LEU  88          3HD2      LEU  88  -1.044   8.876   2.864
  622   2HD2  LEU  88          2HD2      LEU  88  -2.628   8.149   3.126
  623   3HD2  LEU  88          1HD2      LEU  88  -2.118   8.584   1.496
  624    H    ASN  89           H        ASN  89  -1.025  11.263   5.933
  625    HA   ASN  89           HA       ASN  89   1.234   9.472   5.536
  626   1HB   ASN  89          1HB       ASN  89   2.372  11.692   5.655
  627   2HB   ASN  89          2HB       ASN  89   1.657  11.939   7.248
  628   1HD2  ASN  89          2HD2      ASN  89   5.042  10.445   7.762
  629   2HD2  ASN  89          1HD2      ASN  89   4.453  11.882   7.078
  630    H    THR  90           H        THR  90  -0.279   7.981   6.500
  631    HA   THR  90           HA       THR  90  -0.571   8.395   9.445
  632    HB   THR  90           HB       THR  90  -2.757   8.741   8.431
  633    HG1  THR  90           HG1      THR  90  -3.505   7.604  10.007
  634   1HG2  THR  90          2HG2      THR  90  -1.822   6.694   6.653
  635   2HG2  THR  90          1HG2      THR  90  -3.345   6.174   7.373
  636   3HG2  THR  90          3HG2      THR  90  -3.259   7.706   6.505
  637    H    MET  91           H        MET  91  -1.003   6.253  10.571
  638    HA   MET  91           HA       MET  91  -0.012   3.832   9.209
  639   1HB   MET  91          1HB       MET  91   2.024   5.181  10.011
  640   2HB   MET  91          2HB       MET  91   1.467   4.849  11.651
  641   1HG   MET  91          2HG       MET  91   1.357   2.355  10.720
  642   2HG   MET  91          1HG       MET  91   2.577   2.971   9.608
  643   1HE   MET  91          1HE       MET  91   1.634   1.722  12.959
  644   2HE   MET  91          3HE       MET  91   2.729   0.672  12.051
  645   3HE   MET  91          2HE       MET  91   3.224   1.329  13.609
  646    H    PHE  92           H        PHE  92  -0.505   1.946  10.444
  647    HA   PHE  92           HA       PHE  92  -1.512   2.035  13.129
  648   1HB   PHE  92          1HB       PHE  92  -3.912   1.413  12.462
  649   2HB   PHE  92          2HB       PHE  92  -3.464   3.111  12.318
  650    HD1  PHE  92           HD2      PHE  92  -3.029   4.116  10.110
  651    HD2  PHE  92           HD1      PHE  92  -4.311   0.042  10.489
  652    HE1  PHE  92           HE2      PHE  92  -3.626   4.080   7.705
  653    HE2  PHE  92           HE1      PHE  92  -4.908   0.004   8.084
  654    HZ   PHE  92           HZ       PHE  92  -4.571   2.022   6.691
  655    H    GLU  93           H        GLU  93  -2.993  -0.131  13.377
  656    HA   GLU  93           HA       GLU  93  -1.447  -2.255  11.943
  657   1HB   GLU  93          1HB       GLU  93  -1.074  -2.251  14.384
  658   2HB   GLU  93          2HB       GLU  93  -2.815  -2.341  14.658
  659   1HG   GLU  93          1HG       GLU  93  -2.958  -4.543  13.894
  660   2HG   GLU  93          2HG       GLU  93  -1.475  -4.415  12.946
  661    H    TYR  94           H        TYR  94  -2.787  -2.680  10.212
  662    HA   TYR  94           HA       TYR  94  -5.694  -3.030  10.758
  663   1HB   TYR  94          1HB       TYR  94  -4.332  -1.846   8.652
  664   2HB   TYR  94          2HB       TYR  94  -4.798  -3.414   7.995
  665    HD1  TYR  94           HD1      TYR  94  -6.315  -0.786  10.214
  666    HD2  TYR  94           HD2      TYR  94  -6.851  -3.478   6.911
  667    HE1  TYR  94           HE1      TYR  94  -8.643   0.022   9.933
  668    HE2  TYR  94           HE2      TYR  94  -9.179  -2.670   6.629
  669    HH   TYR  94           HH       TYR  94 -10.888  -1.199   8.814
  670    H    THR  95           H        THR  95  -6.608  -4.890   9.207
  671    HA   THR  95           HA       THR  95  -4.812  -7.245   9.267
  672    HB   THR  95           HB       THR  95  -7.587  -7.338  10.475
  673    HG1  THR  95           HG1      THR  95  -6.674  -6.543  12.172
  674   1HG2  THR  95          1HG2      THR  95  -5.420  -9.268   9.873
  675   2HG2  THR  95          3HG2      THR  95  -6.208  -9.457  11.439
  676   3HG2  THR  95          2HG2      THR  95  -7.164  -9.521   9.958
  677    H    PHE  96           H        PHE  96  -4.874  -7.690   7.119
  678    HA   PHE  96           HA       PHE  96  -7.337  -7.350   5.565
  679   1HB   PHE  96          1HB       PHE  96  -4.705  -8.636   4.771
  680   2HB   PHE  96          2HB       PHE  96  -6.009  -8.197   3.674
  681    HD1  PHE  96           HD1      PHE  96  -6.442  -5.585   5.685
  682    HD2  PHE  96           HD2      PHE  96  -3.292  -7.175   3.229
  683    HE1  PHE  96           HE1      PHE  96  -5.475  -3.314   5.451
  684    HE2  PHE  96           HE2      PHE  96  -2.329  -4.903   2.999
  685    HZ   PHE  96           HZ       PHE  96  -3.418  -2.973   4.110
  686    H    ASP  97           H        ASP  97  -8.920  -8.831   5.897
  687    HA   ASP  97           HA       ASP  97  -8.135 -11.706   5.857
  688   1HB   ASP  97          1HB       ASP  97  -9.919 -12.116   7.584
  689   2HB   ASP  97          2HB       ASP  97  -8.552 -11.180   8.190
  690    H    TYR  98           H        TYR  98  -9.054 -10.253   3.649
  691    HA   TYR  98           HA       TYR  98 -11.940 -10.643   3.358
  692   1HB   TYR  98          1HB       TYR  98 -11.549 -10.004   1.002
  693   2HB   TYR  98          2HB       TYR  98 -10.720  -8.878   2.074
  694    HD1  TYR  98           HD1      TYR  98 -10.186 -11.970   0.042
  695    HD2  TYR  98           HD2      TYR  98  -8.380  -8.545   1.891
  696    HE1  TYR  98           HE1      TYR  98  -8.038 -12.523  -1.047
  697    HE2  TYR  98           HE2      TYR  98  -6.214  -9.088   0.779
  698    HH   TYR  98           HH       TYR  98  -5.802 -10.759  -1.695
  699    H    GLN  99           H        GLN  99 -12.919 -12.453   2.415
  700    HA   GLN  99           HA       GLN  99 -12.718 -14.947   2.518
  701   1HB   GLN  99          1HB       GLN  99 -12.753 -15.428  -0.008
  702   2HB   GLN  99          2HB       GLN  99 -13.982 -14.336   0.626
  703   1HG   GLN  99          1HG       GLN  99 -12.018 -12.549   0.049
  704   2HG   GLN  99          2HG       GLN  99 -11.700 -13.768  -1.182
  705   1HE2  GLN  99          2HE2      GLN  99 -15.025 -13.336  -2.657
  706   2HE2  GLN  99          1HE2      GLN  99 -13.980 -14.595  -2.203
  707    H    MET 100           H        MET 100 -10.477 -14.898   3.575
  708    HA   MET 100           HA       MET 100  -8.696 -16.678   2.179
  709   1HB   MET 100          1HB       MET 100  -8.358 -14.288   1.101
  710   2HB   MET 100          2HB       MET 100  -7.511 -13.934   2.608
  711   1HG   MET 100          2HG       MET 100  -6.634 -16.487   1.588
  712   2HG   MET 100          1HG       MET 100  -6.479 -15.262   0.330
  713   1HE   MET 100          3HE       MET 100  -6.171 -12.752   1.500
  714   2HE   MET 100          2HE       MET 100  -4.566 -12.426   2.150
  715   3HE   MET 100          1HE       MET 100  -4.731 -13.099   0.531
  716    H    THR 101           H        THR 101  -6.438 -16.560   3.534
  717    HA   THR 101           HA       THR 101  -7.132 -17.067   6.274
  718    HB   THR 101           HB       THR 101  -4.516 -16.855   6.508
  719    HG1  THR 101           HG1      THR 101  -3.549 -16.320   4.743
  720   1HG2  THR 101          1HG2      THR 101  -6.249 -18.888   5.254
  721   2HG2  THR 101          3HG2      THR 101  -4.530 -19.066   4.897
  722   3HG2  THR 101          2HG2      THR 101  -5.086 -19.055   6.570
  723    HA   PRO 102           HA       PRO 102  -6.819 -13.029   8.017
  724   1HB   PRO 102          1HB       PRO 102  -5.729 -13.573  10.483
  725   2HB   PRO 102          2HB       PRO 102  -7.412 -13.926  10.056
  726   1HG   PRO 102          1HG       PRO 102  -5.113 -15.806  10.344
  727   2HG   PRO 102          2HG       PRO 102  -6.845 -16.111  10.555
  728   1HD   PRO 102          1HD       PRO 102  -5.312 -16.819   8.289
  729   2HD   PRO 102          2HD       PRO 102  -7.086 -16.789   8.378
  730    H    THR 103           H        THR 103  -5.315 -11.299   8.321
  731    HA   THR 103           HA       THR 103  -2.444 -11.947   8.522
  732    HB   THR 103           HB       THR 103  -3.728 -10.716   6.080
  733    HG1  THR 103           HG1      THR 103  -1.811 -12.737   6.570
  734   1HG2  THR 103          1HG2      THR 103  -1.131 -10.009   7.307
  735   2HG2  THR 103          3HG2      THR 103  -1.033 -10.462   5.605
  736   3HG2  THR 103          2HG2      THR 103  -2.081  -9.135   6.107
  737    H    LYS 104           H        LYS 104  -1.696 -10.557  10.028
  738    HA   LYS 104           HA       LYS 104  -3.019  -7.904  10.318
  739   1HB   LYS 104          1HB       LYS 104  -2.145  -9.684  12.236
  740   2HB   LYS 104          2HB       LYS 104  -0.765  -8.594  12.114
  741   1HG   LYS 104          1HG       LYS 104  -2.108  -6.684  12.627
  742   2HG   LYS 104          2HG       LYS 104  -3.603  -7.597  12.424
  743   1HD   LYS 104          1HD       LYS 104  -1.683  -8.654  14.429
  744   2HD   LYS 104          2HD       LYS 104  -2.488  -7.141  14.842
  745   1HE   LYS 104          1HE       LYS 104  -4.398  -8.976  13.699
  746   2HE   LYS 104          2HE       LYS 104  -3.552  -9.754  15.037
  747   1HZ   LYS 104          1HZ       LYS 104  -4.546  -7.002  15.338
  748   2HZ   LYS 104          3HZ       LYS 104  -5.621  -8.303  15.507
  749   3HZ   LYS 104          2HZ       LYS 104  -4.269  -8.181  16.528
  750    H    VAL 105           H        VAL 105  -1.763  -5.989   9.877
  751    HA   VAL 105           HA       VAL 105   1.033  -6.494   8.976
  752    HB   VAL 105           HB       VAL 105   0.584  -5.184   6.891
  753   1HG1  VAL 105          3HG1      VAL 105  -1.113  -7.654   7.355
  754   2HG1  VAL 105          2HG1      VAL 105  -0.788  -6.967   5.764
  755   3HG1  VAL 105          1HG1      VAL 105   0.537  -7.605   6.736
  756   1HG2  VAL 105          1HG2      VAL 105  -1.767  -4.486   8.238
  757   2HG2  VAL 105          3HG2      VAL 105  -1.341  -4.080   6.576
  758   3HG2  VAL 105          2HG2      VAL 105  -2.294  -5.523   6.912
  759    H    LYS 106           H        LYS 106   2.377  -4.770   9.051
  760    HA   LYS 106           HA       LYS 106   1.651  -2.464  10.714
  761   1HB   LYS 106          1HB       LYS 106   4.059  -3.800   9.795
  762   2HB   LYS 106          2HB       LYS 106   4.146  -2.093   9.370
  763   1HG   LYS 106          1HG       LYS 106   4.810  -1.716  11.475
  764   2HG   LYS 106          2HG       LYS 106   3.163  -2.107  11.979
  765   1HD   LYS 106          1HD       LYS 106   4.022  -4.602  11.760
  766   2HD   LYS 106          2HD       LYS 106   5.605  -3.855  11.970
  767   1HE   LYS 106          1HE       LYS 106   3.297  -3.289  13.844
  768   2HE   LYS 106          2HE       LYS 106   4.424  -4.617  14.116
  769   1HZ   LYS 106          1HZ       LYS 106   6.142  -2.668  13.695
  770   2HZ   LYS 106          3HZ       LYS 106   4.858  -1.739  14.301
  771   3HZ   LYS 106          2HZ       LYS 106   5.509  -3.000  15.235
  772    H    VAL 107           H        VAL 107   0.107  -1.306   9.360
  773    HA   VAL 107           HA       VAL 107   0.837  -0.908   6.538
  774    HB   VAL 107           HB       VAL 107  -1.343   0.293   6.440
  775   1HG1  VAL 107          3HG1      VAL 107  -1.056  -2.428   7.532
  776   2HG1  VAL 107          2HG1      VAL 107  -2.660  -1.708   7.671
  777   3HG1  VAL 107          1HG1      VAL 107  -1.902  -1.873   6.088
  778   1HG2  VAL 107          2HG2      VAL 107  -0.813   0.579   9.212
  779   2HG2  VAL 107          1HG2      VAL 107  -2.129   1.278   8.286
  780   3HG2  VAL 107          3HG2      VAL 107  -2.325  -0.304   9.039
  781    H    HIS 108           H        HIS 108   1.142   1.148   5.604
  782    HA   HIS 108           HA       HIS 108   1.354   3.541   7.267
  783   1HB   HIS 108          1HB       HIS 108   3.529   2.293   7.696
  784   2HB   HIS 108          2HB       HIS 108   3.894   2.496   5.981
  785    HD1  HIS 108           HD1      HIS 108   5.800   3.899   7.823
  786    HD2  HIS 108           HD2      HIS 108   2.247   5.682   6.563
  787    HE1  HIS 108           HE1      HIS 108   6.114   6.398   8.105
  788    H    MET 109           H        MET 109   0.005   4.532   5.741
  789    HA   MET 109           HA       MET 109   0.947   4.471   2.903
  790   1HB   MET 109          1HB       MET 109  -1.637   5.785   3.393
  791   2HB   MET 109          2HB       MET 109  -1.223   4.539   2.229
  792   1HG   MET 109          2HG       MET 109  -2.444   3.109   3.493
  793   2HG   MET 109          1HG       MET 109  -1.183   3.198   4.711
  794   1HE   MET 109          3HE       MET 109  -4.121   4.538   3.109
  795   2HE   MET 109          2HE       MET 109  -5.116   3.813   4.369
  796   3HE   MET 109          1HE       MET 109  -4.999   5.567   4.250
  797    H    LYS 110           H        LYS 110   1.442   6.451   1.803
  798    HA   LYS 110           HA       LYS 110   1.111   8.906   3.495
  799   1HB   LYS 110          1HB       LYS 110   3.530   7.692   3.186
  800   2HB   LYS 110          2HB       LYS 110   3.552   8.799   1.818
  801   1HG   LYS 110          1HG       LYS 110   3.136  10.695   3.304
  802   2HG   LYS 110          2HG       LYS 110   2.938   9.610   4.676
  803   1HD   LYS 110          1HD       LYS 110   5.171   9.374   4.964
  804   2HD   LYS 110          2HD       LYS 110   5.462   9.213   3.232
  805   1HE   LYS 110          1HE       LYS 110   5.310  11.631   2.940
  806   2HE   LYS 110          2HE       LYS 110   4.903  11.837   4.643
  807   1HZ   LYS 110          2HZ       LYS 110   7.433  10.662   3.623
  808   2HZ   LYS 110          1HZ       LYS 110   7.256  12.255   4.190
  809   3HZ   LYS 110          3HZ       LYS 110   7.044  10.948   5.252
  810    H    LYS 111           H        LYS 111   2.280  10.685   1.633
  811    HA   LYS 111           HA       LYS 111   0.325  10.446  -0.609
  812   1HB   LYS 111          1HB       LYS 111   0.698  12.979  -0.764
  813   2HB   LYS 111          2HB       LYS 111  -0.178  12.410   0.656
  814   1HG   LYS 111          1HG       LYS 111   1.511  12.966   2.086
  815   2HG   LYS 111          2HG       LYS 111   2.769  12.504   0.939
  816   1HD   LYS 111          1HD       LYS 111   2.142  14.590  -0.391
  817   2HD   LYS 111          2HD       LYS 111   1.181  15.077   1.006
  818   1HE   LYS 111          1HE       LYS 111   3.292  14.738   2.405
  819   2HE   LYS 111          2HE       LYS 111   4.168  14.628   0.879
  820   1HZ   LYS 111          1HZ       LYS 111   2.379  16.878   1.033
  821   2HZ   LYS 111          3HZ       LYS 111   3.615  16.920   2.192
  822   3HZ   LYS 111          2HZ       LYS 111   4.004  16.812   0.543
  823    H    ALA 112           H        ALA 112   1.590   9.415  -2.180
  824    HA   ALA 112           HA       ALA 112   4.336   9.760  -2.659
  825   1HB   ALA 112          2HB       ALA 112   2.158   8.536  -3.994
  826   2HB   ALA 112          1HB       ALA 112   2.978   9.557  -5.174
  827   3HB   ALA 112          3HB       ALA 112   3.880   8.317  -4.311
  828    H    LEU 113           H        LEU 113   5.475  11.561  -3.268
  829    HA   LEU 113           HA       LEU 113   3.932  13.739  -4.605
  830   1HB   LEU 113          1HB       LEU 113   5.272  13.957  -2.273
  831   2HB   LEU 113          2HB       LEU 113   6.588  14.320  -3.390
  832    HG   LEU 113           HG       LEU 113   4.966  15.958  -4.520
  833   1HD1  LEU 113          1HD1      LEU 113   2.989  14.899  -3.239
  834   2HD1  LEU 113          3HD1      LEU 113   3.546  15.840  -1.856
  835   3HD1  LEU 113          2HD1      LEU 113   3.037  16.659  -3.331
  836   1HD2  LEU 113          1HD2      LEU 113   6.190  16.265  -1.793
  837   2HD2  LEU 113          3HD2      LEU 113   6.677  16.999  -3.320
  838   3HD2  LEU 113          2HD2      LEU 113   5.253  17.596  -2.469
  839    H    SER 114           H        SER 114   6.526  11.495  -4.973
  840    HA   SER 114           HA       SER 114   8.244  12.802  -6.771
  841   1HB   SER 114          1HB       SER 114   7.380   9.954  -6.427
  842   2HB   SER 114          2HB       SER 114   8.323  10.384  -7.850
  843    HG   SER 114           HG       SER 114   9.837   9.973  -6.357
  844    H    GLY 115           H        GLY 115   4.997  11.569  -7.269
  845   1HA   GLY 115          1HA       GLY 115   4.083  13.096  -9.269
  846   2HA   GLY 115          2HA       GLY 115   5.166  12.046 -10.183
  847    H    ASP 116           H        ASP 116   3.070  11.232  -7.413
  848    HA   ASP 116           HA       ASP 116   1.497   9.500  -9.261
  849   1HB   ASP 116          1HB       ASP 116   3.056   8.710  -6.851
  850   2HB   ASP 116          2HB       ASP 116   1.484   7.943  -7.074
  851    H    SER 117           H        SER 117   1.186   9.589  -5.728
  852    HA   SER 117           HA       SER 117  -0.664  11.640  -5.372
  853   1HB   SER 117          1HB       SER 117  -1.816   9.356  -6.833
  854   2HB   SER 117          2HB       SER 117  -2.757   9.875  -5.441
  855    HG   SER 117           HG       SER 117  -3.439  11.285  -6.884
  856    H    TYR 118           H        TYR 118  -1.718   8.344  -4.607
  857    HA   TYR 118           HA       TYR 118  -0.929   8.819  -1.746
  858   1HB   TYR 118          1HB       TYR 118  -3.440   7.387  -2.641
  859   2HB   TYR 118          2HB       TYR 118  -3.092   8.022  -1.030
  860    HD1  TYR 118           HD1      TYR 118  -2.862  10.554  -0.778
  861    HD2  TYR 118           HD2      TYR 118  -4.473   8.658  -4.274
  862    HE1  TYR 118           HE1      TYR 118  -3.921  12.680  -1.447
  863    HE2  TYR 118           HE2      TYR 118  -5.537  10.774  -4.937
  864    HH   TYR 118           HH       TYR 118  -4.756  13.573  -4.111
  865    H    TRP 119           H        TRP 119   0.295   7.102  -0.911
  866    HA   TRP 119           HA       TRP 119  -0.121   4.484  -2.214
  867   1HB   TRP 119          1HB       TRP 119   2.283   3.984  -1.987
  868   2HB   TRP 119          2HB       TRP 119   1.916   5.270  -3.124
  869    HD1  TRP 119           HD1      TRP 119   3.200   7.407  -2.801
  870    HE1  TRP 119           HE1      TRP 119   4.790   8.361  -1.018
  871    HE3  TRP 119           HE3      TRP 119   2.498   3.960   0.685
  872    HZ2  TRP 119           HZ2      TRP 119   5.662   7.652   1.642
  873    HZ3  TRP 119           HZ3      TRP 119   3.709   4.035   2.866
  874    HH2  TRP 119           HH2      TRP 119   5.283   5.881   3.346
  875    H    VAL 120           H        VAL 120   0.029   2.633  -1.052
  876    HA   VAL 120           HA       VAL 120   0.014   3.002   1.915
  877    HB   VAL 120           HB       VAL 120  -1.594   1.011   0.279
  878   1HG1  VAL 120          3HG1      VAL 120  -1.044   1.384   3.132
  879   2HG1  VAL 120          2HG1      VAL 120  -2.767   1.333   2.763
  880   3HG1  VAL 120          1HG1      VAL 120  -1.724  -0.007   2.289
  881   1HG2  VAL 120          2HG2      VAL 120  -2.035   3.787   0.648
  882   2HG2  VAL 120          1HG2      VAL 120  -3.160   2.603  -0.013
  883   3HG2  VAL 120          3HG2      VAL 120  -3.169   2.958   1.713
  884    H    PHE 121           H        PHE 121   1.747   1.935   2.793
  885    HA   PHE 121           HA       PHE 121   2.800  -0.432   1.344
  886   1HB   PHE 121          1HB       PHE 121   4.100   1.093   3.629
  887   2HB   PHE 121          2HB       PHE 121   4.838  -0.204   2.692
  888    HD1  PHE 121           HD1      PHE 121   3.168   1.049   0.118
  889    HD2  PHE 121           HD2      PHE 121   6.156   2.435   2.871
  890    HE1  PHE 121           HE1      PHE 121   3.936   2.712  -1.554
  891    HE2  PHE 121           HE2      PHE 121   6.887   4.128   1.215
  892    HZ   PHE 121           HZ       PHE 121   5.790   4.249  -1.001
  893    H    VAL 122           H        VAL 122   2.156  -2.367   2.081
  894    HA   VAL 122           HA       VAL 122   1.240  -2.477   4.902
  895    HB   VAL 122           HB       VAL 122   0.352  -3.798   2.386
  896   1HG1  VAL 122          2HG1      VAL 122   0.359  -5.292   5.025
  897   2HG1  VAL 122          1HG1      VAL 122  -0.575  -5.764   3.610
  898   3HG1  VAL 122          3HG1      VAL 122   1.187  -5.785   3.552
  899   1HG2  VAL 122          1HG2      VAL 122  -0.700  -2.201   4.430
  900   2HG2  VAL 122          3HG2      VAL 122  -1.598  -2.946   3.109
  901   3HG2  VAL 122          2HG2      VAL 122  -1.453  -3.779   4.657
  902    H    LYS 123           H        LYS 123   2.758  -3.172   6.169
  903    HA   LYS 123           HA       LYS 123   4.865  -5.016   5.204
  904   1HB   LYS 123          1HB       LYS 123   5.249  -2.889   6.670
  905   2HB   LYS 123          2HB       LYS 123   4.664  -3.891   7.995
  906   1HG   LYS 123          1HG       LYS 123   6.917  -4.370   8.130
  907   2HG   LYS 123          2HG       LYS 123   6.424  -5.617   6.985
  908   1HD   LYS 123          1HD       LYS 123   7.715  -4.722   5.375
  909   2HD   LYS 123          2HD       LYS 123   6.945  -3.156   5.581
  910   1HE   LYS 123          1HE       LYS 123   9.351  -2.965   6.016
  911   2HE   LYS 123          2HE       LYS 123   8.439  -2.678   7.499
  912   1HZ   LYS 123          3HZ       LYS 123   9.207  -5.432   6.955
  913   2HZ   LYS 123          2HZ       LYS 123  10.467  -4.366   7.363
  914   3HZ   LYS 123          1HZ       LYS 123   9.159  -4.590   8.426
  915    H    ARG 124           H        ARG 124   5.221  -7.061   6.394
  916    HA   ARG 124           HA       ARG 124   2.622  -8.092   7.393
  917   1HB   ARG 124          1HB       ARG 124   3.629  -9.560   5.799
  918   2HB   ARG 124          2HB       ARG 124   5.207  -9.452   6.575
  919   1HG   ARG 124          1HG       ARG 124   4.658 -10.975   8.208
  920   2HG   ARG 124          2HG       ARG 124   2.970 -10.465   8.257
  921   1HD   ARG 124          1HD       ARG 124   2.449 -12.256   6.999
  922   2HD   ARG 124          2HD       ARG 124   3.379 -11.545   5.680
  923    HE   ARG 124           HE       ARG 124   5.348 -12.739   7.125
  924   1HH1  ARG 124          2HH1      ARG 124   3.302 -14.523   8.379
  925   2HH1  ARG 124          1HH1      ARG 124   3.265 -15.865   7.284
  926   1HH2  ARG 124          1HH2      ARG 124   4.853 -14.154   4.720
  927   2HH2  ARG 124          2HH2      ARG 124   4.145 -15.657   5.212
  928    H    VAL 125           H        VAL 125   2.196  -8.202   9.485
  929    HA   VAL 125           HA       VAL 125   4.292  -7.592  11.446
  930    HB   VAL 125           HB       VAL 125   1.393  -8.280  11.986
  931   1HG1  VAL 125          3HG1      VAL 125   3.676  -7.141  13.479
  932   2HG1  VAL 125          2HG1      VAL 125   2.117  -6.356  13.734
  933   3HG1  VAL 125          1HG1      VAL 125   2.301  -8.080  14.061
  934   1HG2  VAL 125          1HG2      VAL 125   2.284  -6.182  10.364
  935   2HG2  VAL 125          3HG2      VAL 125   0.716  -6.294  11.164
  936   3HG2  VAL 125          2HG2      VAL 125   2.045  -5.440  11.943
  937    H2   HC4  69           H2       HC4  69  -6.882  -4.250   2.946
  938    H3   HC4  69           H3       HC4  69  -7.313  -7.000   1.707
  939    H2'  HC4  69           H2'      HC4  69  -5.608  -7.562   0.014
  940    H3'  HC4  69           H3'      HC4  69  -3.601  -7.016  -1.307
  941    H5'  HC4  69           H5'      HC4  69  -3.425  -3.135   0.591
  942    H6'  HC4  69           H6'      HC4  69  -5.440  -3.725   1.890
   
  No H/Q in entry =         942
  Start of MODEL    8
    1   1H    MET   1           H3       MET   1  13.463  -4.321  10.828
    2   2H    MET   1           H2       MET   1  13.269  -6.005  10.936
    3   3H    MET   1           H1       MET   1  12.520  -4.987  12.071
    4    HA   MET   1           HA       MET   1  14.438  -5.992  13.081
    5   1HB   MET   1          1HB       MET   1  15.818  -4.852  10.638
    6   2HB   MET   1          2HB       MET   1  16.695  -5.383  12.073
    7   1HG   MET   1          2HG       MET   1  14.753  -7.377  11.227
    8   2HG   MET   1          1HG       MET   1  15.882  -6.994   9.929
    9   1HE   MET   1          3HE       MET   1  15.313  -9.530  11.190
   10   2HE   MET   1          2HE       MET   1  16.704 -10.328  11.922
   11   3HE   MET   1          1HE       MET   1  15.543  -9.483  12.944
   12    H    GLU   2           H        GLU   2  15.630  -3.068  11.461
   13    HA   GLU   2           HA       GLU   2  15.642  -1.713  14.098
   14   1HB   GLU   2          1HB       GLU   2  17.684  -1.760  12.589
   15   2HB   GLU   2          2HB       GLU   2  16.795  -0.711  11.483
   16   1HG   GLU   2          1HG       GLU   2  17.481   1.049  12.708
   17   2HG   GLU   2          2HG       GLU   2  16.485   0.446  14.032
   18    H    HIS   3           H        HIS   3  13.223  -2.142  12.215
   19    HA   HIS   3           HA       HIS   3  11.346  -0.898  11.564
   20   1HB   HIS   3          1HB       HIS   3  12.319   0.185  14.020
   21   2HB   HIS   3          2HB       HIS   3  11.805   1.535  13.009
   22    HD1  HIS   3           HD1      HIS   3  10.272  -1.944  13.120
   23    HD2  HIS   3           HD2      HIS   3   9.254   1.994  14.033
   24    HE1  HIS   3           HE1      HIS   3   7.806  -1.957  13.698
   25    H    VAL   4           H        VAL   4  13.475  -0.732   9.798
   26    HA   VAL   4           HA       VAL   4  14.302   1.933   9.151
   27    HB   VAL   4           HB       VAL   4  15.435  -0.039   8.208
   28   1HG1  VAL   4          3HG1      VAL   4  12.870  -1.006   7.829
   29   2HG1  VAL   4          2HG1      VAL   4  13.378  -0.615   6.188
   30   3HG1  VAL   4          1HG1      VAL   4  14.333  -1.731   7.165
   31   1HG2  VAL   4          2HG2      VAL   4  14.367   2.156   6.586
   32   2HG2  VAL   4          1HG2      VAL   4  15.990   1.468   6.604
   33   3HG2  VAL   4          3HG2      VAL   4  14.730   0.727   5.618
   34    H    ALA   5           H        ALA   5  12.651   3.486   8.907
   35    HA   ALA   5           HA       ALA   5  10.734   4.508   7.935
   36   1HB   ALA   5          2HB       ALA   5  12.344   3.859   5.940
   37   2HB   ALA   5          1HB       ALA   5  11.119   2.635   5.607
   38   3HB   ALA   5          3HB       ALA   5  10.684   4.343   5.586
   39    H    PHE   6           H        PHE   6   9.603   2.697   9.671
   40    HA   PHE   6           HA       PHE   6   7.685   1.276   9.908
   41   1HB   PHE   6          1HB       PHE   6   6.537   2.876   8.495
   42   2HB   PHE   6          2HB       PHE   6   7.349   2.315   7.057
   43    HD1  PHE   6           HD2      PHE   6   4.838   1.477   9.610
   44    HD2  PHE   6           HD1      PHE   6   6.491   0.401   5.773
   45    HE1  PHE   6           HE2      PHE   6   2.905   0.006   9.169
   46    HE2  PHE   6           HE1      PHE   6   4.547  -1.043   5.355
   47    HZ   PHE   6           HZ       PHE   6   2.765  -1.238   7.028
   48    H    GLY   7           H        GLY   7  10.435   0.498   8.729
   49   1HA   GLY   7          1HA       GLY   7  11.245  -1.762   8.474
   50   2HA   GLY   7          2HA       GLY   7   9.658  -2.232   7.866
   51    H    SER   8           H        SER   8   9.679   0.276   6.202
   52    HA   SER   8           HA       SER   8  10.663  -0.874   3.779
   53   1HB   SER   8          1HB       SER   8  10.026   1.940   3.524
   54   2HB   SER   8          2HB       SER   8   9.227   0.554   2.831
   55    HG   SER   8           HG       SER   8   7.704   1.060   4.171
   56    H    GLU   9           H        GLU   9  11.973   0.325   2.198
   57    HA   GLU   9           HA       GLU   9  14.354   1.577   3.511
   58   1HB   GLU   9          1HB       GLU   9  13.969  -0.249   1.157
   59   2HB   GLU   9          2HB       GLU   9  15.343   0.858   1.160
   60   1HG   GLU   9          1HG       GLU   9  16.294  -0.966   2.236
   61   2HG   GLU   9          2HG       GLU   9  15.661  -0.086   3.627
   62    H    ASP  10           H        ASP  10  12.679   3.560   3.218
   63    HA   ASP  10           HA       ASP  10  12.135   5.523   2.011
   64   1HB   ASP  10          1HB       ASP  10  14.667   4.753   0.513
   65   2HB   ASP  10          2HB       ASP  10  13.895   6.339   0.473
   66    H    ILE  11           H        ILE  11  10.254   4.347   1.132
   67    HA   ILE  11           HA       ILE  11  10.540   2.959  -1.396
   68    HB   ILE  11           HB       ILE  11   7.940   3.813  -0.361
   69   1HG1  ILE  11          1HG1      ILE  11   8.962   3.087   1.699
   70   2HG1  ILE  11          2HG1      ILE  11   7.937   1.774   1.127
   71   1HG2  ILE  11          2HG2      ILE  11   8.740   2.220  -2.390
   72   2HG2  ILE  11          1HG2      ILE  11   8.471   1.041  -1.106
   73   3HG2  ILE  11          3HG2      ILE  11   7.162   2.110  -1.608
   74   1HD1  ILE  11          3HD1      ILE  11  10.544   1.531  -0.067
   75   2HD1  ILE  11          2HD1      ILE  11  10.698   1.667   1.683
   76   3HD1  ILE  11          1HD1      ILE  11   9.695   0.406   0.982
   77    H    GLU  12           H        GLU  12   8.701   5.871  -0.438
   78    HA   GLU  12           HA       GLU  12   7.686   6.621  -2.847
   79   1HB   GLU  12          1HB       GLU  12   7.456   7.948  -0.755
   80   2HB   GLU  12          2HB       GLU  12   9.097   8.554  -0.981
   81   1HG   GLU  12          1HG       GLU  12   7.774   8.963  -3.444
   82   2HG   GLU  12          2HG       GLU  12   6.644   9.481  -2.192
   83    H    ASN  13           H        ASN  13  11.108   6.684  -2.070
   84    HA   ASN  13           HA       ASN  13  11.767   8.192  -4.517
   85   1HB   ASN  13          1HB       ASN  13  13.468   6.850  -2.394
   86   2HB   ASN  13          2HB       ASN  13  14.140   7.685  -3.796
   87   1HD2  ASN  13          2HD2      ASN  13  13.891  10.128  -0.952
   88   2HD2  ASN  13          1HD2      ASN  13  14.680   8.640  -1.164
   89    H    THR  14           H        THR  14  12.053   4.877  -3.262
   90    HA   THR  14           HA       THR  14  13.301   3.788  -5.629
   91    HB   THR  14           HB       THR  14  11.882   2.612  -3.227
   92    HG1  THR  14           HG1      THR  14  13.871   2.219  -2.617
   93   1HG2  THR  14          2HG2      THR  14  12.973   1.076  -5.612
   94   2HG2  THR  14          1HG2      THR  14  12.508   0.350  -4.073
   95   3HG2  THR  14          3HG2      THR  14  11.291   1.129  -5.085
   96    H    LEU  15           H        LEU  15  10.077   4.748  -4.973
   97    HA   LEU  15           HA       LEU  15   8.943   2.875  -6.946
   98   1HB   LEU  15          1HB       LEU  15   7.500   5.062  -5.427
   99   2HB   LEU  15          2HB       LEU  15   6.794   3.654  -6.216
  100    HG   LEU  15           HG       LEU  15   8.803   3.298  -4.021
  101   1HD1  LEU  15          2HD1      LEU  15   6.322   4.649  -3.721
  102   2HD1  LEU  15          1HD1      LEU  15   6.127   3.037  -3.031
  103   3HD1  LEU  15          3HD1      LEU  15   7.409   4.097  -2.450
  104   1HD2  LEU  15          3HD2      LEU  15   7.492   1.556  -5.690
  105   2HD2  LEU  15          2HD2      LEU  15   8.142   1.126  -4.108
  106   3HD2  LEU  15          1HD2      LEU  15   6.440   1.560  -4.273
  107    H    ALA  16           H        ALA  16  10.161   6.092  -6.728
  108    HA   ALA  16           HA       ALA  16   8.727   7.005  -9.140
  109   1HB   ALA  16          1HB       ALA  16  10.509   8.233  -7.091
  110   2HB   ALA  16          3HB       ALA  16  10.557   8.937  -8.707
  111   3HB   ALA  16          2HB       ALA  16   9.034   8.866  -7.821
  112    H    LYS  17           H        LYS  17  12.014   6.093  -8.128
  113    HA   LYS  17           HA       LYS  17  12.855   6.152 -10.993
  114   1HB   LYS  17          1HB       LYS  17  14.124   7.117  -8.713
  115   2HB   LYS  17          2HB       LYS  17  14.935   5.579  -9.006
  116   1HG   LYS  17          1HG       LYS  17  14.634   6.807 -11.539
  117   2HG   LYS  17          2HG       LYS  17  15.207   8.066 -10.445
  118   1HD   LYS  17          1HD       LYS  17  16.667   5.686  -9.853
  119   2HD   LYS  17          2HD       LYS  17  16.700   5.914 -11.601
  120   1HE   LYS  17          1HE       LYS  17  17.692   8.052 -11.424
  121   2HE   LYS  17          2HE       LYS  17  17.258   8.205  -9.721
  122   1HZ   LYS  17          3HZ       LYS  17  18.925   5.929 -10.383
  123   2HZ   LYS  17          2HZ       LYS  17  19.664   7.446 -10.581
  124   3HZ   LYS  17          1HZ       LYS  17  19.021   7.001  -9.072
  125    H    MET  18           H        MET  18  11.258   4.080 -10.666
  126    HA   MET  18           HA       MET  18  12.974   1.747  -9.941
  127   1HB   MET  18          1HB       MET  18  10.518   2.278  -8.994
  128   2HB   MET  18          2HB       MET  18  10.059   1.407 -10.459
  129   1HG   MET  18          2HG       MET  18  10.942  -0.579  -9.721
  130   2HG   MET  18          1HG       MET  18  12.248   0.218  -8.846
  131   1HE   MET  18          1HE       MET  18   8.712   1.593  -8.510
  132   2HE   MET  18          3HE       MET  18   8.328  -0.083  -8.919
  133   3HE   MET  18          2HE       MET  18   7.923   0.554  -7.328
  134    H    ASP  19           H        ASP  19  12.093  -0.284 -11.320
  135    HA   ASP  19           HA       ASP  19  11.819   0.531 -14.173
  136   1HB   ASP  19          1HB       ASP  19  14.124  -0.726 -12.907
  137   2HB   ASP  19          2HB       ASP  19  13.474  -1.724 -14.208
  138    H    ASP  20           H        ASP  20  12.047  -2.373 -12.075
  139    HA   ASP  20           HA       ASP  20   9.371  -3.234 -12.584
  140   1HB   ASP  20          1HB       ASP  20  10.783  -3.558 -14.856
  141   2HB   ASP  20          2HB       ASP  20  11.209  -5.066 -14.045
  142    H    GLY  21           H        GLY  21  12.661  -4.623 -12.252
  143   1HA   GLY  21          1HA       GLY  21  11.604  -6.486 -10.198
  144   2HA   GLY  21          2HA       GLY  21  13.200  -6.577 -10.945
  145    H    GLN  22           H        GLN  22  11.504  -3.902  -9.277
  146    HA   GLN  22           HA       GLN  22  13.843  -3.772  -7.414
  147   1HB   GLN  22          1HB       GLN  22  12.642  -1.735  -9.118
  148   2HB   GLN  22          2HB       GLN  22  12.668  -1.244  -7.424
  149   1HG   GLN  22          1HG       GLN  22  15.025  -1.493  -7.275
  150   2HG   GLN  22          2HG       GLN  22  15.103  -2.414  -8.777
  151   1HE2  GLN  22          2HE2      GLN  22  14.517   0.592 -10.797
  152   2HE2  GLN  22          1HE2      GLN  22  13.950  -1.004 -10.698
  153    H    LEU  23           H        LEU  23  10.447  -2.681  -7.712
  154    HA   LEU  23           HA       LEU  23  10.065  -2.494  -4.869
  155   1HB   LEU  23          1HB       LEU  23   7.549  -2.647  -5.570
  156   2HB   LEU  23          2HB       LEU  23   8.487  -1.237  -6.039
  157    HG   LEU  23           HG       LEU  23   8.754  -2.055  -8.284
  158   1HD1  LEU  23          2HD1      LEU  23   7.731  -4.638  -7.118
  159   2HD1  LEU  23          1HD1      LEU  23   7.568  -4.308  -8.841
  160   3HD1  LEU  23          3HD1      LEU  23   9.167  -4.363  -8.103
  161   1HD2  LEU  23          1HD2      LEU  23   6.536  -1.062  -7.673
  162   2HD2  LEU  23          3HD2      LEU  23   6.448  -2.188  -9.028
  163   3HD2  LEU  23          2HD2      LEU  23   5.921  -2.696  -7.424
  164    H    ASP  24           H        ASP  24  10.338  -5.236  -6.850
  165    HA   ASP  24           HA       ASP  24   8.479  -6.890  -5.293
  166   1HB   ASP  24          1HB       ASP  24  10.596  -7.879  -7.212
  167   2HB   ASP  24          2HB       ASP  24   9.087  -8.669  -6.755
  168    H    GLY  25           H        GLY  25  11.524  -5.674  -4.662
  169   1HA   GLY  25          1HA       GLY  25  12.419  -8.104  -3.201
  170   2HA   GLY  25          2HA       GLY  25  13.426  -6.695  -3.548
  171    H    LEU  26           H        LEU  26  10.141  -6.576  -2.297
  172    HA   LEU  26           HA       LEU  26  11.222  -5.459   0.241
  173   1HB   LEU  26          1HB       LEU  26   8.657  -4.716  -1.202
  174   2HB   LEU  26          2HB       LEU  26   9.253  -3.993   0.286
  175    HG   LEU  26           HG       LEU  26  10.988  -4.002  -2.168
  176   1HD1  LEU  26          2HD1      LEU  26   8.667  -3.078  -2.700
  177   2HD1  LEU  26          1HD1      LEU  26   8.999  -1.814  -1.515
  178   3HD1  LEU  26          3HD1      LEU  26  10.010  -1.963  -2.952
  179   1HD2  LEU  26          2HD2      LEU  26  11.491  -3.237   0.363
  180   2HD2  LEU  26          1HD2      LEU  26  12.197  -2.409  -1.024
  181   3HD2  LEU  26          3HD2      LEU  26  10.768  -1.742  -0.232
  182    H    ALA  27           H        ALA  27  10.076  -6.019   2.116
  183    HA   ALA  27           HA       ALA  27   8.469  -8.507   1.916
  184   1HB   ALA  27          3HB       ALA  27   9.775  -7.083   4.250
  185   2HB   ALA  27          2HB       ALA  27   8.720  -8.482   4.449
  186   3HB   ALA  27          1HB       ALA  27  10.228  -8.639   3.550
  187    H    PHE  28           H        PHE  28   7.514  -5.727   1.253
  188    HA   PHE  28           HA       PHE  28   4.971  -5.886   2.692
  189   1HB   PHE  28          1HB       PHE  28   5.098  -3.392   3.212
  190   2HB   PHE  28          2HB       PHE  28   6.109  -4.425   4.205
  191    HD1  PHE  28           HD2      PHE  28   8.563  -4.864   3.252
  192    HD2  PHE  28           HD1      PHE  28   6.066  -1.517   2.287
  193    HE1  PHE  28           HE2      PHE  28  10.565  -3.576   2.563
  194    HE2  PHE  28           HE1      PHE  28   8.044  -0.243   1.569
  195    HZ   PHE  28           HZ       PHE  28  10.319  -1.259   1.727
  196    H    GLY  29           H        GLY  29   3.359  -5.302   1.308
  197   1HA   GLY  29          1HA       GLY  29   3.983  -4.813  -1.446
  198   2HA   GLY  29          2HA       GLY  29   2.381  -4.742  -0.729
  199    H    ALA  30           H        ALA  30   4.434  -2.906  -2.439
  200    HA   ALA  30           HA       ALA  30   3.649  -0.403  -0.999
  201   1HB   ALA  30          2HB       ALA  30   5.854  -0.931  -3.023
  202   2HB   ALA  30          1HB       ALA  30   5.327   0.699  -2.602
  203   3HB   ALA  30          3HB       ALA  30   6.032  -0.348  -1.369
  204    H    ILE  31           H        ILE  31   1.706   0.252  -1.817
  205    HA   ILE  31           HA       ILE  31   1.315  -0.104  -4.752
  206    HB   ILE  31           HB       ILE  31  -0.999  -0.486  -4.403
  207   1HG1  ILE  31          1HG1      ILE  31  -1.776  -0.359  -1.852
  208   2HG1  ILE  31          2HG1      ILE  31  -0.491   0.844  -1.771
  209   1HG2  ILE  31          2HG2      ILE  31   0.525  -1.778  -2.124
  210   2HG2  ILE  31          1HG2      ILE  31  -1.039  -2.321  -2.731
  211   3HG2  ILE  31          3HG2      ILE  31   0.385  -2.397  -3.768
  212   1HD1  ILE  31          2HD1      ILE  31  -2.024   1.273  -4.164
  213   2HD1  ILE  31          1HD1      ILE  31  -3.122   1.188  -2.785
  214   3HD1  ILE  31          3HD1      ILE  31  -1.804   2.361  -2.793
  215    H    GLN  32           H        GLN  32   0.265   1.606  -5.892
  216    HA   GLN  32           HA       GLN  32   0.388   4.229  -4.463
  217   1HB   GLN  32          1HB       GLN  32   1.261   3.338  -7.144
  218   2HB   GLN  32          2HB       GLN  32   0.377   4.862  -7.128
  219   1HG   GLN  32          1HG       GLN  32   2.031   5.964  -6.009
  220   2HG   GLN  32          2HG       GLN  32   2.421   4.565  -5.008
  221   1HE2  GLN  32          2HE2      GLN  32   4.587   5.291  -8.338
  222   2HE2  GLN  32          1HE2      GLN  32   3.385   6.359  -7.796
  223    H    LEU  33           H        LEU  33  -1.271   5.832  -5.437
  224    HA   LEU  33           HA       LEU  33  -3.625   4.500  -6.599
  225   1HB   LEU  33          1HB       LEU  33  -3.496   5.619  -3.821
  226   2HB   LEU  33          2HB       LEU  33  -4.988   5.818  -4.740
  227    HG   LEU  33           HG       LEU  33  -3.577   3.189  -4.214
  228   1HD1  LEU  33          1HD1      LEU  33  -5.095   4.624  -2.447
  229   2HD1  LEU  33          3HD1      LEU  33  -6.340   3.675  -3.257
  230   3HD1  LEU  33          2HD1      LEU  33  -4.998   2.863  -2.450
  231   1HD2  LEU  33          1HD2      LEU  33  -5.583   4.006  -6.150
  232   2HD2  LEU  33          3HD2      LEU  33  -4.777   2.448  -5.984
  233   3HD2  LEU  33          2HD2      LEU  33  -6.238   2.787  -5.056
  234    H    ASP  34           H        ASP  34  -4.840   5.928  -7.837
  235    HA   ASP  34           HA       ASP  34  -3.801   8.687  -8.063
  236   1HB   ASP  34          1HB       ASP  34  -4.207   7.283 -10.138
  237   2HB   ASP  34          2HB       ASP  34  -5.927   7.305  -9.741
  238    H    GLY  35           H        GLY  35  -5.610  10.397  -8.233
  239   1HA   GLY  35          1HA       GLY  35  -7.004  10.618  -5.844
  240   2HA   GLY  35          2HA       GLY  35  -7.485  11.462  -7.309
  241    H    ASP  36           H        ASP  36  -7.992   8.646  -8.559
  242    HA   ASP  36           HA       ASP  36 -10.772   8.511  -7.544
  243   1HB   ASP  36          1HB       ASP  36  -9.356   7.669 -10.019
  244   2HB   ASP  36          2HB       ASP  36 -10.728   6.679  -9.523
  245    H    GLY  37           H        GLY  37  -8.139   7.243  -6.342
  246   1HA   GLY  37          1HA       GLY  37  -7.794   5.430  -4.896
  247   2HA   GLY  37          2HA       GLY  37  -9.454   4.925  -5.220
  248    H    ASN  38           H        ASN  38  -7.210   5.532  -7.864
  249    HA   ASN  38           HA       ASN  38  -7.524   2.644  -8.569
  250   1HB   ASN  38          1HB       ASN  38  -6.402   4.896 -10.254
  251   2HB   ASN  38          2HB       ASN  38  -6.836   3.279 -10.811
  252   1HD2  ASN  38          2HD2      ASN  38  -9.669   5.936 -11.092
  253   2HD2  ASN  38          1HD2      ASN  38  -7.999   6.174 -11.283
  254    H    ILE  39           H        ILE  39  -5.892   1.207  -8.398
  255    HA   ILE  39           HA       ILE  39  -3.395   1.882  -7.224
  256    HB   ILE  39           HB       ILE  39  -4.716  -0.521  -8.104
  257   1HG1  ILE  39          1HG1      ILE  39  -2.910  -1.485  -6.511
  258   2HG1  ILE  39          2HG1      ILE  39  -2.423   0.194  -6.281
  259   1HG2  ILE  39          1HG2      ILE  39  -2.998  -0.461  -9.963
  260   2HG2  ILE  39          3HG2      ILE  39  -1.752  -0.556  -8.719
  261   3HG2  ILE  39          2HG2      ILE  39  -2.903  -1.876  -8.915
  262   1HD1  ILE  39          2HD1      ILE  39  -5.334  -0.414  -6.057
  263   2HD1  ILE  39          1HD1      ILE  39  -4.294  -0.965  -4.744
  264   3HD1  ILE  39          3HD1      ILE  39  -4.355   0.746  -5.161
  265    H    LEU  40           H        LEU  40  -1.483   2.487  -8.029
  266    HA   LEU  40           HA       LEU  40  -1.252   2.835 -10.990
  267   1HB   LEU  40          1HB       LEU  40   0.693   4.102  -9.094
  268   2HB   LEU  40          2HB       LEU  40   0.079   4.707 -10.631
  269    HG   LEU  40           HG       LEU  40  -1.487   4.574  -8.035
  270   1HD1  LEU  40          3HD1      LEU  40   0.417   6.442  -8.937
  271   2HD1  LEU  40          2HD1      LEU  40  -1.154   7.188  -9.230
  272   3HD1  LEU  40          1HD1      LEU  40  -0.723   6.647  -7.607
  273   1HD2  LEU  40          3HD2      LEU  40  -2.745   4.269 -10.249
  274   2HD2  LEU  40          2HD2      LEU  40  -3.282   5.599  -9.223
  275   3HD2  LEU  40          1HD2      LEU  40  -2.266   5.925 -10.627
  276    H    GLN  41           H        GLN  41   0.111   1.446  -8.099
  277    HA   GLN  41           HA       GLN  41   1.736  -0.410  -9.679
  278   1HB   GLN  41          1HB       GLN  41   3.446   1.175  -9.608
  279   2HB   GLN  41          2HB       GLN  41   2.906   1.855  -8.083
  280   1HG   GLN  41          1HG       GLN  41   3.934  -0.952  -8.078
  281   2HG   GLN  41          2HG       GLN  41   5.096   0.353  -8.249
  282   1HE2  GLN  41          2HE2      GLN  41   2.941   1.097  -4.906
  283   2HE2  GLN  41          1HE2      GLN  41   2.235   1.208  -6.432
  284    H    TYR  42           H        TYR  42   2.578  -2.179  -8.161
  285    HA   TYR  42           HA       TYR  42   1.185  -2.262  -5.522
  286   1HB   TYR  42          1HB       TYR  42  -0.016  -3.338  -7.660
  287   2HB   TYR  42          2HB       TYR  42   1.062  -4.671  -7.296
  288    HD1  TYR  42           HD1      TYR  42  -1.263  -2.345  -5.450
  289    HD2  TYR  42           HD2      TYR  42   0.229  -6.347  -5.917
  290    HE1  TYR  42           HE1      TYR  42  -2.872  -3.154  -3.737
  291    HE2  TYR  42           HE2      TYR  42  -1.372  -7.149  -4.208
  292    HH   TYR  42           HH       TYR  42  -2.864  -6.562  -2.637
  293    H    ASN  43           H        ASN  43   3.022  -4.387  -7.700
  294    HA   ASN  43           HA       ASN  43   5.242  -5.195  -7.451
  295   1HB   ASN  43          1HB       ASN  43   6.550  -4.905  -5.575
  296   2HB   ASN  43          2HB       ASN  43   5.424  -3.574  -5.362
  297   1HD2  ASN  43          2HD2      ASN  43   5.697  -5.526  -2.155
  298   2HD2  ASN  43          1HD2      ASN  43   6.834  -4.770  -3.159
  299    H    ALA  44           H        ALA  44   6.076  -7.337  -6.255
  300    HA   ALA  44           HA       ALA  44   3.750  -9.160  -6.422
  301   1HB   ALA  44          2HB       ALA  44   6.016  -9.443  -7.663
  302   2HB   ALA  44          1HB       ALA  44   6.604 -10.054  -6.118
  303   3HB   ALA  44          3HB       ALA  44   5.269 -10.866  -6.936
  304    H    ALA  45           H        ALA  45   5.681  -7.776  -3.934
  305    HA   ALA  45           HA       ALA  45   5.753  -9.918  -2.066
  306   1HB   ALA  45          2HB       ALA  45   6.642  -7.369  -1.988
  307   2HB   ALA  45          1HB       ALA  45   5.195  -7.199  -0.995
  308   3HB   ALA  45          3HB       ALA  45   6.448  -8.352  -0.538
  309    H    GLU  46           H        GLU  46   3.402  -7.228  -1.997
  310    HA   GLU  46           HA       GLU  46   1.603  -8.543  -0.232
  311   1HB   GLU  46          1HB       GLU  46  -0.142  -6.971  -1.255
  312   2HB   GLU  46          2HB       GLU  46   1.259  -6.215  -0.527
  313   1HG   GLU  46          1HG       GLU  46   2.279  -6.233  -2.872
  314   2HG   GLU  46          2HG       GLU  46   0.674  -6.608  -3.444
  315    HE1  GLU  46           HE1      GLU  46  -0.333  -4.104  -1.197
  316    H    GLY  47           H        GLY  47   1.504  -8.275  -3.768
  317   1HA   GLY  47          1HA       GLY  47  -0.839  -9.829  -4.155
  318   2HA   GLY  47          2HA       GLY  47   0.468  -9.692  -5.347
  319    H    ASP  48           H        ASP  48   2.311 -10.819  -3.081
  320    HA   ASP  48           HA       ASP  48   2.027 -13.597  -3.931
  321   1HB   ASP  48          1HB       ASP  48   3.987 -11.991  -2.439
  322   2HB   ASP  48          2HB       ASP  48   3.791 -13.623  -1.799
  323    H    ILE  49           H        ILE  49   1.378 -11.721  -1.008
  324    HA   ILE  49           HA       ILE  49   0.501 -14.048   0.500
  325    HB   ILE  49           HB       ILE  49   1.199 -11.353   1.026
  326   1HG1  ILE  49          1HG1      ILE  49   2.024 -13.402   2.149
  327   2HG1  ILE  49          2HG1      ILE  49   1.470 -12.182   3.295
  328   1HG2  ILE  49          3HG2      ILE  49  -1.560 -12.079   1.988
  329   2HG2  ILE  49          2HG2      ILE  49  -0.536 -10.954   2.877
  330   3HG2  ILE  49          1HG2      ILE  49  -1.017 -10.584   1.224
  331   1HD1  ILE  49          3HD1      ILE  49  -0.766 -13.818   2.552
  332   2HD1  ILE  49          2HD1      ILE  49   0.564 -14.868   3.036
  333   3HD1  ILE  49          1HD1      ILE  49  -0.027 -13.630   4.143
  334    H    THR  50           H        THR  50  -1.223 -11.131  -0.656
  335    HA   THR  50           HA       THR  50  -3.825 -12.405  -0.317
  336    HB   THR  50           HB       THR  50  -4.759 -10.349  -1.109
  337    HG1  THR  50           HG1      THR  50  -2.203  -9.571  -2.003
  338   1HG2  THR  50          1HG2      THR  50  -2.867 -10.355   0.923
  339   2HG2  THR  50          3HG2      THR  50  -2.428  -8.965  -0.069
  340   3HG2  THR  50          2HG2      THR  50  -4.052  -9.092   0.607
  341    H    GLY  51           H        GLY  51  -1.462 -12.563  -2.770
  342   1HA   GLY  51          1HA       GLY  51  -1.613 -13.763  -4.810
  343   2HA   GLY  51          2HA       GLY  51  -3.347 -13.922  -4.539
  344    H    ARG  52           H        ARG  52  -2.763 -10.742  -4.006
  345    HA   ARG  52           HA       ARG  52  -3.942  -9.908  -6.504
  346   1HB   ARG  52          1HB       ARG  52  -3.075  -8.619  -3.974
  347   2HB   ARG  52          2HB       ARG  52  -3.160  -7.587  -5.388
  348   1HG   ARG  52          1HG       ARG  52  -5.489  -8.661  -5.766
  349   2HG   ARG  52          2HG       ARG  52  -5.361  -9.163  -4.083
  350   1HD   ARG  52          1HD       ARG  52  -4.621  -6.429  -4.190
  351   2HD   ARG  52          2HD       ARG  52  -6.098  -6.597  -5.131
  352    HE   ARG  52           HE       ARG  52  -5.981  -6.687  -2.275
  353   1HH1  ARG  52          1HH2      ARG  52  -7.465  -8.137  -5.083
  354   2HH1  ARG  52          2HH2      ARG  52  -8.757  -8.857  -4.187
  355   1HH2  ARG  52          2HH1      ARG  52  -7.657  -7.777  -1.107
  356   2HH2  ARG  52          1HH1      ARG  52  -8.861  -8.658  -1.974
  357    H    ASP  53           H        ASP  53  -2.329 -10.648  -8.033
  358    HA   ASP  53           HA       ASP  53   0.406  -9.958  -8.032
  359   1HB   ASP  53          1HB       ASP  53  -1.493 -10.990  -9.933
  360   2HB   ASP  53          2HB       ASP  53  -0.496  -9.763 -10.715
  361    HA   PRO  54           HA       PRO  54   0.532  -5.672  -8.984
  362   1HB   PRO  54          1HB       PRO  54   2.463  -5.487 -10.931
  363   2HB   PRO  54          2HB       PRO  54   2.816  -5.819  -9.227
  364   1HG   PRO  54          1HG       PRO  54   2.859  -7.687 -11.550
  365   2HG   PRO  54          2HG       PRO  54   3.759  -7.772 -10.027
  366   1HD   PRO  54          1HD       PRO  54   1.446  -9.271 -10.679
  367   2HD   PRO  54          2HD       PRO  54   2.165  -9.106  -9.062
  368    H    LYS  55           H        LYS  55   0.193  -7.720 -11.856
  369    HA   LYS  55           HA       LYS  55  -0.755  -5.525 -13.522
  370   1HB   LYS  55          1HB       LYS  55   0.440  -7.764 -14.224
  371   2HB   LYS  55          2HB       LYS  55  -1.199  -8.417 -14.190
  372   1HG   LYS  55          1HG       LYS  55  -1.929  -7.039 -15.924
  373   2HG   LYS  55          2HG       LYS  55  -0.672  -5.836 -15.634
  374   1HD   LYS  55          1HD       LYS  55   0.914  -7.000 -16.829
  375   2HD   LYS  55          2HD       LYS  55   0.221  -8.570 -16.418
  376   1HE   LYS  55          1HE       LYS  55  -0.096  -8.001 -18.823
  377   2HE   LYS  55          2HE       LYS  55  -1.629  -8.199 -17.973
  378   1HZ   LYS  55          2HZ       LYS  55  -0.510  -5.521 -17.962
  379   2HZ   LYS  55          1HZ       LYS  55  -1.044  -6.086 -19.474
  380   3HZ   LYS  55          3HZ       LYS  55  -2.119  -6.028 -18.164
  381    H    GLN  56           H        GLN  56  -2.202  -8.105 -11.597
  382    HA   GLN  56           HA       GLN  56  -4.871  -7.731 -12.642
  383   1HB   GLN  56          1HB       GLN  56  -3.693  -9.634 -11.078
  384   2HB   GLN  56          2HB       GLN  56  -4.608  -8.729  -9.872
  385   1HG   GLN  56          1HG       GLN  56  -6.652  -8.971 -11.239
  386   2HG   GLN  56          2HG       GLN  56  -5.738  -9.889 -12.437
  387   1HE2  GLN  56          2HE2      GLN  56  -6.210 -12.898 -10.694
  388   2HE2  GLN  56          1HE2      GLN  56  -5.938 -12.109 -12.171
  389    H    VAL  57           H        VAL  57  -3.156  -6.502  -9.774
  390    HA   VAL  57           HA       VAL  57  -5.421  -5.052  -8.740
  391    HB   VAL  57           HB       VAL  57  -3.717  -3.808  -7.411
  392   1HG1  VAL  57          2HG1      VAL  57  -4.477  -6.472  -7.272
  393   2HG1  VAL  57          1HG1      VAL  57  -2.724  -6.534  -7.104
  394   3HG1  VAL  57          3HG1      VAL  57  -3.680  -5.557  -5.993
  395   1HG2  VAL  57          3HG2      VAL  57  -1.991  -4.998  -9.483
  396   2HG2  VAL  57          2HG2      VAL  57  -1.723  -3.579  -8.475
  397   3HG2  VAL  57          1HG2      VAL  57  -1.374  -5.188  -7.842
  398    H    ILE  58           H        ILE  58  -3.513  -4.525 -11.495
  399    HA   ILE  58           HA       ILE  58  -3.485  -1.639 -11.421
  400    HB   ILE  58           HB       ILE  58  -2.733  -3.776 -13.310
  401   1HG1  ILE  58          1HG1      ILE  58  -1.734  -0.937 -13.078
  402   2HG1  ILE  58          2HG1      ILE  58  -1.312  -2.185 -11.904
  403   1HG2  ILE  58          2HG2      ILE  58  -3.867  -1.168 -14.376
  404   2HG2  ILE  58          1HG2      ILE  58  -2.732  -2.166 -15.287
  405   3HG2  ILE  58          3HG2      ILE  58  -4.316  -2.807 -14.849
  406   1HD1  ILE  58          1HD1      ILE  58  -0.936  -2.651 -14.860
  407   2HD1  ILE  58          3HD1      ILE  58   0.297  -1.825 -13.910
  408   3HD1  ILE  58          2HD1      ILE  58  -0.161  -3.480 -13.511
  409    H    GLY  59           H        GLY  59  -5.184  -0.348 -11.659
  410   1HA   GLY  59          1HA       GLY  59  -7.232   0.442 -12.642
  411   2HA   GLY  59          2HA       GLY  59  -7.461  -1.146 -13.377
  412    H    LYS  60           H        LYS  60  -6.683  -2.177 -10.505
  413    HA   LYS  60           HA       LYS  60  -9.426  -2.503  -9.591
  414   1HB   LYS  60          1HB       LYS  60  -6.794  -3.342  -8.316
  415   2HB   LYS  60          2HB       LYS  60  -8.396  -3.865  -7.793
  416   1HG   LYS  60          1HG       LYS  60  -7.204  -4.358 -10.538
  417   2HG   LYS  60          2HG       LYS  60  -7.331  -5.558  -9.249
  418   1HD   LYS  60          1HD       LYS  60  -9.862  -4.979  -9.252
  419   2HD   LYS  60          2HD       LYS  60  -9.544  -4.254 -10.828
  420   1HE   LYS  60          1HE       LYS  60  -8.504  -6.440 -11.535
  421   2HE   LYS  60          2HE       LYS  60  -9.073  -7.133 -10.017
  422   1HZ   LYS  60          1HZ       LYS  60 -10.871  -5.762 -11.930
  423   2HZ   LYS  60          3HZ       LYS  60 -10.577  -7.431 -11.986
  424   3HZ   LYS  60          2HZ       LYS  60 -11.303  -6.744 -10.613
  425    H    ASN  61           H        ASN  61 -10.414  -1.191  -8.129
  426    HA   ASN  61           HA       ASN  61  -9.077   1.124  -7.067
  427   1HB   ASN  61          1HB       ASN  61 -11.744   0.156  -7.238
  428   2HB   ASN  61          2HB       ASN  61 -11.417   0.448  -5.530
  429   1HD2  ASN  61          2HD2      ASN  61 -11.015   3.671  -8.070
  430   2HD2  ASN  61          1HD2      ASN  61 -10.587   2.127  -8.633
  431    H    PHE  62           H        PHE  62  -7.837   1.244  -5.219
  432    HA   PHE  62           HA       PHE  62  -7.167  -1.087  -3.704
  433   1HB   PHE  62          1HB       PHE  62  -5.715   0.911  -3.795
  434   2HB   PHE  62          2HB       PHE  62  -6.908   1.801  -2.843
  435    HD1  PHE  62           HD1      PHE  62  -4.550  -1.047  -2.816
  436    HD2  PHE  62           HD2      PHE  62  -7.192   1.398  -0.485
  437    HE1  PHE  62           HE1      PHE  62  -3.625  -2.038  -0.732
  438    HE2  PHE  62           HE2      PHE  62  -6.273   0.415   1.596
  439    HZ   PHE  62           HZ       PHE  62  -4.495  -1.308   1.474
  440    H    PHE  63           H        PHE  63  -9.925   0.933  -3.549
  441    HA   PHE  63           HA       PHE  63 -10.532  -0.125  -0.819
  442   1HB   PHE  63          1HB       PHE  63 -11.521   2.426  -2.123
  443   2HB   PHE  63          2HB       PHE  63 -11.950   1.868  -0.506
  444    HD1  PHE  63           HD2      PHE  63 -10.150   1.612   1.237
  445    HD2  PHE  63           HD1      PHE  63  -9.436   3.522  -2.544
  446    HE1  PHE  63           HE2      PHE  63  -8.086   2.635   2.143
  447    HE2  PHE  63           HE1      PHE  63  -7.365   4.548  -1.633
  448    HZ   PHE  63           HZ       PHE  63  -6.691   4.101   0.711
  449    H    LYS  64           H        LYS  64 -11.297  -0.762  -3.935
  450    HA   LYS  64           HA       LYS  64 -13.933  -1.829  -3.156
  451   1HB   LYS  64          1HB       LYS  64 -13.552   0.471  -4.970
  452   2HB   LYS  64          2HB       LYS  64 -14.599  -0.803  -5.600
  453   1HG   LYS  64          1HG       LYS  64 -16.142  -0.583  -3.859
  454   2HG   LYS  64          2HG       LYS  64 -14.964   0.164  -2.778
  455   1HD   LYS  64          1HD       LYS  64 -15.092   2.246  -3.880
  456   2HD   LYS  64          2HD       LYS  64 -15.814   1.537  -5.325
  457   1HE   LYS  64          1HE       LYS  64 -17.881   1.854  -4.500
  458   2HE   LYS  64          2HE       LYS  64 -17.470   0.960  -3.038
  459   1HZ   LYS  64          1HZ       LYS  64 -16.797   3.811  -3.512
  460   2HZ   LYS  64          3HZ       LYS  64 -18.128   3.276  -2.607
  461   3HZ   LYS  64          2HZ       LYS  64 -16.551   2.934  -2.078
  462    H    ASP  65           H        ASP  65 -11.648  -3.277  -3.645
  463    HA   ASP  65           HA       ASP  65 -12.350  -5.288  -5.409
  464   1HB   ASP  65          1HB       ASP  65 -11.506  -2.941  -6.886
  465   2HB   ASP  65          2HB       ASP  65 -10.402  -4.282  -7.190
  466    H    VAL  66           H        VAL  66  -9.824  -3.395  -3.947
  467    HA   VAL  66           HA       VAL  66  -7.953  -5.722  -4.084
  468    HB   VAL  66           HB       VAL  66  -7.391  -2.843  -3.382
  469   1HG1  VAL  66          1HG1      VAL  66  -5.812  -4.949  -2.869
  470   2HG1  VAL  66          3HG1      VAL  66  -5.339  -4.651  -4.540
  471   3HG1  VAL  66          2HG1      VAL  66  -5.165  -3.381  -3.330
  472   1HG2  VAL  66          2HG2      VAL  66  -7.142  -4.299  -6.012
  473   2HG2  VAL  66          1HG2      VAL  66  -8.219  -2.950  -5.655
  474   3HG2  VAL  66          3HG2      VAL  66  -6.474  -2.697  -5.693
  475    H    ALA  67           H        ALA  67  -9.681  -3.474  -2.045
  476    HA   ALA  67           HA       ALA  67  -9.207  -5.206   0.266
  477   1HB   ALA  67          1HB       ALA  67  -7.186  -3.792   0.152
  478   2HB   ALA  67          3HB       ALA  67  -8.203  -2.354   0.216
  479   3HB   ALA  67          2HB       ALA  67  -8.140  -3.453   1.597
  480    HA   PRO  68           HA       PRO  68 -13.258  -3.105   0.440
  481   1HB   PRO  68          1HB       PRO  68 -14.574  -5.267   1.520
  482   2HB   PRO  68          2HB       PRO  68 -14.340  -5.039  -0.222
  483   1HG   PRO  68          1HG       PRO  68 -12.933  -6.910   1.633
  484   2HG   PRO  68          2HG       PRO  68 -13.247  -7.075  -0.103
  485   1HD   PRO  68          1HD       PRO  68 -10.787  -6.316   1.048
  486   2HD   PRO  68          2HD       PRO  68 -11.240  -6.102  -0.656
  487    H    CYS  69           H        CYS  69 -11.223  -4.697   2.738
  488    HA   CYS  69           HA       CYS  69 -12.730  -3.915   5.107
  489   1HB   CYS  69          1HB       CYS  69 -10.882  -4.867   6.333
  490   2HB   CYS  69          2HB       CYS  69 -11.181  -5.919   4.952
  491    H    THR  70           H        THR  70 -10.408  -2.447   3.002
  492    HA   THR  70           HA       THR  70  -9.444  -0.501   4.955
  493    HB   THR  70           HB       THR  70  -8.357   0.547   2.962
  494    HG1  THR  70           HG1      THR  70 -10.161  -0.292   1.579
  495   1HG2  THR  70          1HG2      THR  70  -8.031  -2.259   3.826
  496   2HG2  THR  70          3HG2      THR  70  -7.267  -1.861   2.287
  497   3HG2  THR  70          2HG2      THR  70  -6.841  -0.961   3.742
  498    H    ASP  71           H        ASP  71 -12.416  -0.827   3.656
  499    HA   ASP  71           HA       ASP  71 -12.809   2.004   2.922
  500   1HB   ASP  71          1HB       ASP  71 -14.022  -0.282   2.046
  501   2HB   ASP  71          2HB       ASP  71 -15.167   0.243   3.282
  502    H    SER  72           H        SER  72 -11.891   1.960   5.419
  503    HA   SER  72           HA       SER  72 -14.305   2.419   7.113
  504   1HB   SER  72          1HB       SER  72 -13.348   1.286   8.886
  505   2HB   SER  72          2HB       SER  72 -12.594   0.403   7.568
  506    HG   SER  72           HG       SER  72 -10.766   1.100   8.296
  507    HA   PRO  73           HA       PRO  73 -12.593   6.371   8.033
  508   1HB   PRO  73          1HB       PRO  73 -12.696   6.611  10.768
  509   2HB   PRO  73          2HB       PRO  73 -14.123   6.663   9.719
  510   1HG   PRO  73          1HG       PRO  73 -13.198   4.481  11.519
  511   2HG   PRO  73          2HG       PRO  73 -14.833   4.837  10.938
  512   1HD   PRO  73          1HD       PRO  73 -13.098   2.819   9.953
  513   2HD   PRO  73          2HD       PRO  73 -14.621   3.350   9.206
  514    H    GLU  74           H        GLU  74 -10.862   3.702   9.365
  515    HA   GLU  74           HA       GLU  74  -8.638   5.422  10.255
  516   1HB   GLU  74          1HB       GLU  74  -8.775   2.410  10.321
  517   2HB   GLU  74          2HB       GLU  74  -7.688   3.458  11.233
  518   1HG   GLU  74          1HG       GLU  74  -9.206   3.661  12.881
  519   2HG   GLU  74          2HG       GLU  74 -10.407   4.254  11.733
  520    H    PHE  75           H        PHE  75  -9.560   3.287   7.668
  521    HA   PHE  75           HA       PHE  75  -6.802   3.387   6.546
  522   1HB   PHE  75          1HB       PHE  75  -8.579   1.304   6.678
  523   2HB   PHE  75          2HB       PHE  75  -8.906   1.932   5.063
  524    HD1  PHE  75           HD1      PHE  75  -6.820   2.464   3.585
  525    HD2  PHE  75           HD2      PHE  75  -6.748  -0.129   7.007
  526    HE1  PHE  75           HE1      PHE  75  -4.752   1.399   2.733
  527    HE2  PHE  75           HE2      PHE  75  -4.674  -1.195   6.155
  528    HZ   PHE  75           HZ       PHE  75  -3.676  -0.428   4.017
  529    H    TYR  76           H        TYR  76 -10.056   3.475   5.018
  530    HA   TYR  76           HA       TYR  76  -9.101   5.324   2.998
  531   1HB   TYR  76          1HB       TYR  76 -11.054   3.625   2.799
  532   2HB   TYR  76          2HB       TYR  76 -12.015   4.854   3.623
  533    HD1  TYR  76           HD2      TYR  76  -9.263   5.188   1.099
  534    HD2  TYR  76           HD1      TYR  76 -13.408   5.837   2.007
  535    HE1  TYR  76           HE2      TYR  76  -9.529   6.413  -1.042
  536    HE2  TYR  76           HE1      TYR  76 -13.680   7.066  -0.132
  537    HH   TYR  76           HH       TYR  76 -11.857   8.437  -1.711
  538    H    GLY  77           H        GLY  77 -10.357   5.666   6.187
  539   1HA   GLY  77          1HA       GLY  77 -11.517   8.275   5.965
  540   2HA   GLY  77          2HA       GLY  77 -10.889   7.568   7.441
  541    H    LYS  78           H        LYS  78  -8.325   7.326   7.245
  542    HA   LYS  78           HA       LYS  78  -7.319  10.007   7.266
  543   1HB   LYS  78          1HB       LYS  78  -5.548   7.589   6.999
  544   2HB   LYS  78          2HB       LYS  78  -5.251   9.078   7.893
  545   1HG   LYS  78          1HG       LYS  78  -7.031   6.762   8.624
  546   2HG   LYS  78          2HG       LYS  78  -5.805   7.560   9.602
  547   1HD   LYS  78          1HD       LYS  78  -7.548   9.627   9.134
  548   2HD   LYS  78          2HD       LYS  78  -8.651   8.253   9.205
  549   1HE   LYS  78          1HE       LYS  78  -8.457   8.993  11.460
  550   2HE   LYS  78          2HE       LYS  78  -7.404   7.583  11.359
  551   1HZ   LYS  78          1HZ       LYS  78  -5.670   9.422  10.689
  552   2HZ   LYS  78          3HZ       LYS  78  -6.709  10.413  11.593
  553   3HZ   LYS  78          2HZ       LYS  78  -5.989   9.054  12.317
  554    H    PHE  79           H        PHE  79  -7.833   7.843   4.705
  555    HA   PHE  79           HA       PHE  79  -5.800   8.968   2.960
  556   1HB   PHE  79          1HB       PHE  79  -6.368   6.655   2.674
  557   2HB   PHE  79          2HB       PHE  79  -8.080   7.047   2.571
  558    HD1  PHE  79           HD1      PHE  79  -8.893   8.453   0.606
  559    HD2  PHE  79           HD2      PHE  79  -4.999   6.624   0.690
  560    HE1  PHE  79           HE1      PHE  79  -8.741   8.645  -1.860
  561    HE2  PHE  79           HE2      PHE  79  -4.875   6.803  -1.760
  562    HZ   PHE  79           HZ       PHE  79  -6.728   7.814  -3.039
  563    H    LYS  80           H        LYS  80  -9.277   9.289   3.482
  564    HA   LYS  80           HA       LYS  80  -9.647  10.987   1.192
  565   1HB   LYS  80          1HB       LYS  80 -11.310   9.854   3.323
  566   2HB   LYS  80          2HB       LYS  80 -11.769  11.502   2.895
  567   1HG   LYS  80          1HG       LYS  80 -11.543  10.604   0.425
  568   2HG   LYS  80          2HG       LYS  80 -11.773   9.032   1.191
  569   1HD   LYS  80          1HD       LYS  80 -13.628  11.298   1.867
  570   2HD   LYS  80          2HD       LYS  80 -13.871  10.386   0.378
  571   1HE   LYS  80          1HE       LYS  80 -13.627   8.296   1.961
  572   2HE   LYS  80          2HE       LYS  80 -14.062   9.450   3.222
  573   1HZ   LYS  80          3HZ       LYS  80 -15.623   9.070   0.730
  574   2HZ   LYS  80          2HZ       LYS  80 -15.977   8.279   2.190
  575   3HZ   LYS  80          1HZ       LYS  80 -16.069   9.972   2.094
  576    H    GLU  81           H        GLU  81  -8.317  11.384   4.277
  577    HA   GLU  81           HA       GLU  81  -8.950  14.306   4.291
  578   1HB   GLU  81          1HB       GLU  81  -8.023  14.366   6.538
  579   2HB   GLU  81          2HB       GLU  81  -9.172  13.034   6.444
  580   1HG   GLU  81          1HG       GLU  81  -7.312  11.466   6.067
  581   2HG   GLU  81          2HG       GLU  81  -6.163  12.792   6.189
  582    H    GLY  82           H        GLY  82  -6.283  12.005   4.178
  583   1HA   GLY  82          1HA       GLY  82  -4.133  13.879   3.986
  584   2HA   GLY  82          2HA       GLY  82  -4.104  12.242   3.319
  585    H    VAL  83           H        VAL  83  -6.323  12.459   1.619
  586    HA   VAL  83           HA       VAL  83  -5.147  13.572  -0.744
  587    HB   VAL  83           HB       VAL  83  -8.030  12.836  -0.153
  588   1HG1  VAL  83          3HG1      VAL  83  -7.209  14.285  -2.293
  589   2HG1  VAL  83          2HG1      VAL  83  -6.920  12.655  -2.894
  590   3HG1  VAL  83          1HG1      VAL  83  -8.533  13.122  -2.360
  591   1HG2  VAL  83          1HG2      VAL  83  -5.911  11.175  -0.051
  592   2HG2  VAL  83          3HG2      VAL  83  -7.492  10.666  -0.641
  593   3HG2  VAL  83          2HG2      VAL  83  -6.229  11.124  -1.785
  594    H    ALA  84           H        ALA  84  -7.756  14.781   1.378
  595    HA   ALA  84           HA       ALA  84  -7.890  17.282  -0.186
  596   1HB   ALA  84          3HB       ALA  84  -9.474  16.060   2.042
  597   2HB   ALA  84          2HB       ALA  84  -9.592  17.795   1.753
  598   3HB   ALA  84          1HB       ALA  84 -10.026  16.656   0.478
  599    H    SER  85           H        SER  85  -5.790  16.229   2.089
  600    HA   SER  85           HA       SER  85  -5.692  18.844   3.519
  601   1HB   SER  85          1HB       SER  85  -5.752  16.994   5.057
  602   2HB   SER  85          2HB       SER  85  -4.495  16.138   4.168
  603    HG   SER  85           HG       SER  85  -4.127  18.702   5.323
  604    H    GLY  86           H        GLY  86  -3.958  16.794   1.286
  605   1HA   GLY  86          1HA       GLY  86  -2.186  17.479  -0.145
  606   2HA   GLY  86          2HA       GLY  86  -2.070  18.986   0.772
  607    H    ASN  87           H        ASN  87  -2.073  15.858   2.355
  608    HA   ASN  87           HA       ASN  87   0.788  15.535   2.487
  609   1HB   ASN  87          1HB       ASN  87   0.438  17.619   3.891
  610   2HB   ASN  87          2HB       ASN  87  -0.494  16.622   5.008
  611   1HD2  ASN  87          2HD2      ASN  87   3.535  15.821   4.652
  612   2HD2  ASN  87          1HD2      ASN  87   2.692  16.412   3.301
  613    H    LEU  88           H        LEU  88  -0.842  13.592   1.879
  614    HA   LEU  88           HA       LEU  88  -2.188  12.198   3.958
  615   1HB   LEU  88          1HB       LEU  88  -2.206  11.772   1.400
  616   2HB   LEU  88          2HB       LEU  88  -0.774  10.787   1.705
  617    HG   LEU  88           HG       LEU  88  -3.144  10.360   3.470
  618   1HD1  LEU  88          2HD1      LEU  88  -4.049  10.485   1.129
  619   2HD1  LEU  88          1HD1      LEU  88  -2.934   9.198   0.673
  620   3HD1  LEU  88          3HD1      LEU  88  -4.207   8.883   1.851
  621   1HD2  LEU  88          2HD2      LEU  88  -0.997   9.148   3.783
  622   2HD2  LEU  88          1HD2      LEU  88  -2.314   8.046   3.379
  623   3HD2  LEU  88          3HD2      LEU  88  -1.138   8.502   2.147
  624    H    ASN  89           H        ASN  89  -1.326  11.351   5.769
  625    HA   ASN  89           HA       ASN  89   1.107   9.740   5.654
  626   1HB   ASN  89          1HB       ASN  89   2.309  11.093   7.373
  627   2HB   ASN  89          2HB       ASN  89   2.116  11.960   5.849
  628   1HD2  ASN  89          2HD2      ASN  89   1.023  14.106   8.797
  629   2HD2  ASN  89          1HD2      ASN  89   2.429  13.195   8.522
  630    H    THR  90           H        THR  90  -0.477   8.170   6.432
  631    HA   THR  90           HA       THR  90  -0.968   8.510   9.361
  632    HB   THR  90           HB       THR  90  -3.092   8.969   8.293
  633    HG1  THR  90           HG1      THR  90  -4.150   6.830   8.948
  634   1HG2  THR  90          3HG2      THR  90  -2.131   7.006   6.420
  635   2HG2  THR  90          2HG2      THR  90  -3.719   6.521   7.013
  636   3HG2  THR  90          1HG2      THR  90  -3.505   8.101   6.260
  637    H    MET  91           H        MET  91  -0.944   6.559  10.552
  638    HA   MET  91           HA       MET  91  -0.271   4.075   9.065
  639   1HB   MET  91          1HB       MET  91   1.589   3.625  10.659
  640   2HB   MET  91          2HB       MET  91   1.889   5.061   9.680
  641   1HG   MET  91          2HG       MET  91   0.660   6.272  11.702
  642   2HG   MET  91          1HG       MET  91   1.224   4.854  12.589
  643   1HE   MET  91          2HE       MET  91   1.959   7.709  10.312
  644   2HE   MET  91          1HE       MET  91   3.696   8.001  10.375
  645   3HE   MET  91          3HE       MET  91   3.058   6.630   9.455
  646    H    PHE  92           H        PHE  92  -0.386   2.155  10.599
  647    HA   PHE  92           HA       PHE  92  -1.518   2.297  13.184
  648   1HB   PHE  92          1HB       PHE  92  -3.903   1.628  12.572
  649   2HB   PHE  92          2HB       PHE  92  -3.486   3.319  12.305
  650    HD1  PHE  92           HD1      PHE  92  -4.144   0.071  10.671
  651    HD2  PHE  92           HD2      PHE  92  -3.253   4.221  10.059
  652    HE1  PHE  92           HE1      PHE  92  -4.768  -0.149   8.283
  653    HE2  PHE  92           HE2      PHE  92  -3.872   3.998   7.673
  654    HZ   PHE  92           HZ       PHE  92  -4.631   1.816   6.781
  655    H    GLU  93           H        GLU  93  -2.827   0.117  13.621
  656    HA   GLU  93           HA       GLU  93  -1.292  -2.028  12.214
  657   1HB   GLU  93          1HB       GLU  93  -2.805  -2.240  14.841
  658   2HB   GLU  93          2HB       GLU  93  -1.648  -3.396  14.178
  659   1HG   GLU  93          1HG       GLU  93  -0.964  -0.543  14.939
  660   2HG   GLU  93          2HG       GLU  93  -0.664  -1.945  15.965
  661    H    TYR  94           H        TYR  94  -2.503  -2.974  10.640
  662    HA   TYR  94           HA       TYR  94  -5.457  -3.090  11.069
  663   1HB   TYR  94          1HB       TYR  94  -4.087  -1.964   8.984
  664   2HB   TYR  94          2HB       TYR  94  -4.417  -3.578   8.355
  665    HD1  TYR  94           HD1      TYR  94  -6.149  -0.830  10.240
  666    HD2  TYR  94           HD2      TYR  94  -6.458  -3.949   7.306
  667    HE1  TYR  94           HE1      TYR  94  -8.497  -0.171   9.788
  668    HE2  TYR  94           HE2      TYR  94  -8.801  -3.293   6.849
  669    HH   TYR  94           HH       TYR  94 -10.652  -2.114   8.072
  670    H    THR  95           H        THR  95  -6.435  -4.969   9.748
  671    HA   THR  95           HA       THR  95  -4.729  -7.382   9.712
  672    HB   THR  95           HB       THR  95  -7.265  -7.149  11.366
  673    HG1  THR  95           HG1      THR  95  -5.940  -6.961  12.970
  674   1HG2  THR  95          1HG2      THR  95  -5.633  -9.491  10.421
  675   2HG2  THR  95          3HG2      THR  95  -6.476  -9.573  11.969
  676   3HG2  THR  95          2HG2      THR  95  -7.388  -9.311  10.481
  677    H    PHE  96           H        PHE  96  -5.069  -7.947   7.622
  678    HA   PHE  96           HA       PHE  96  -7.644  -7.445   6.324
  679   1HB   PHE  96          1HB       PHE  96  -5.242  -8.981   5.285
  680   2HB   PHE  96          2HB       PHE  96  -6.586  -8.365   4.325
  681    HD1  PHE  96           HD2      PHE  96  -6.904  -5.682   5.798
  682    HD2  PHE  96           HD1      PHE  96  -3.455  -7.741   4.269
  683    HE1  PHE  96           HE2      PHE  96  -5.721  -3.515   5.546
  684    HE2  PHE  96           HE1      PHE  96  -2.281  -5.574   4.014
  685    HZ   PHE  96           HZ       PHE  96  -3.402  -3.454   4.651
  686    H    ASP  97           H        ASP  97  -9.321  -8.831   6.482
  687    HA   ASP  97           HA       ASP  97  -8.756 -11.747   6.712
  688   1HB   ASP  97          1HB       ASP  97  -9.260 -10.766   8.979
  689   2HB   ASP  97          2HB       ASP  97 -10.842 -10.289   8.361
  690    H    TYR  98           H        TYR  98  -9.396 -10.496   4.386
  691    HA   TYR  98           HA       TYR  98 -12.265 -10.459   3.887
  692   1HB   TYR  98          1HB       TYR  98 -11.553 -10.170   1.503
  693   2HB   TYR  98          2HB       TYR  98 -10.841  -8.994   2.595
  694    HD1  TYR  98           HD2      TYR  98  -9.267 -12.179   3.143
  695    HD2  TYR  98           HD1      TYR  98  -9.327  -8.823   0.449
  696    HE1  TYR  98           HE2      TYR  98  -7.032 -12.798   2.323
  697    HE2  TYR  98           HE1      TYR  98  -7.068  -9.455  -0.364
  698    HH   TYR  98           HH       TYR  98  -5.752 -11.972  -0.358
  699    H    GLN  99           H        GLN  99 -12.528 -12.786   4.732
  700    HA   GLN  99           HA       GLN  99 -13.050 -15.005   4.290
  701   1HB   GLN  99          1HB       GLN  99 -13.953 -15.470   2.228
  702   2HB   GLN  99          2HB       GLN  99 -13.903 -13.720   2.113
  703   1HG   GLN  99          1HG       GLN  99 -12.690 -13.933   0.229
  704   2HG   GLN  99          2HG       GLN  99 -11.379 -14.640   1.165
  705   1HE2  GLN  99          2HE2      GLN  99 -13.314 -16.971  -1.409
  706   2HE2  GLN  99          1HE2      GLN  99 -13.336 -15.274  -1.445
  707    H    MET 100           H        MET 100 -10.291 -14.191   4.783
  708    HA   MET 100           HA       MET 100  -9.000 -16.658   3.803
  709   1HB   MET 100          1HB       MET 100  -8.551 -14.241   2.482
  710   2HB   MET 100          2HB       MET 100  -7.181 -14.376   3.585
  711   1HG   MET 100          2HG       MET 100  -7.633 -16.954   2.440
  712   2HG   MET 100          1HG       MET 100  -7.622 -15.778   1.126
  713   1HE   MET 100          3HE       MET 100  -6.165 -14.220   0.632
  714   2HE   MET 100          2HE       MET 100  -5.250 -13.492   1.951
  715   3HE   MET 100          1HE       MET 100  -4.406 -14.404   0.702
  716    H    THR 101           H        THR 101  -6.572 -16.506   4.830
  717    HA   THR 101           HA       THR 101  -6.883 -16.654   7.631
  718    HB   THR 101           HB       THR 101  -4.951 -17.704   6.717
  719    HG1  THR 101           HG1      THR 101  -3.196 -16.403   7.671
  720   1HG2  THR 101          1HG2      THR 101  -4.535 -15.045   5.372
  721   2HG2  THR 101          3HG2      THR 101  -3.190 -16.170   5.568
  722   3HG2  THR 101          2HG2      THR 101  -4.615 -16.651   4.647
  723    HA   PRO 102           HA       PRO 102  -6.859 -12.431   8.883
  724   1HB   PRO 102          1HB       PRO 102  -5.792 -12.682  11.410
  725   2HB   PRO 102          2HB       PRO 102  -7.463 -13.106  10.999
  726   1HG   PRO 102          1HG       PRO 102  -5.132 -14.909  11.491
  727   2HG   PRO 102          2HG       PRO 102  -6.858 -15.207  11.760
  728   1HD   PRO 102          1HD       PRO 102  -5.377 -16.184   9.592
  729   2HD   PRO 102          2HD       PRO 102  -7.147 -16.077   9.652
  730    H    THR 103           H        THR 103  -5.175 -11.916   7.277
  731    HA   THR 103           HA       THR 103  -2.370 -12.109   7.891
  732    HB   THR 103           HB       THR 103  -4.016 -10.629   5.842
  733    HG1  THR 103           HG1      THR 103  -2.003 -12.617   5.790
  734   1HG2  THR 103          2HG2      THR 103  -1.233 -10.007   6.668
  735   2HG2  THR 103          1HG2      THR 103  -1.483 -10.213   4.934
  736   3HG2  THR 103          3HG2      THR 103  -2.408  -9.001   5.822
  737    H    LYS 104           H        LYS 104  -1.980 -11.131   9.943
  738    HA   LYS 104           HA       LYS 104  -2.893  -8.424  10.519
  739   1HB   LYS 104          1HB       LYS 104  -1.853 -10.433  12.075
  740   2HB   LYS 104          2HB       LYS 104  -0.439  -9.398  11.872
  741   1HG   LYS 104          1HG       LYS 104  -1.371  -7.654  13.039
  742   2HG   LYS 104          2HG       LYS 104  -3.010  -8.040  12.514
  743   1HD   LYS 104          1HD       LYS 104  -3.396  -9.360  14.313
  744   2HD   LYS 104          2HD       LYS 104  -1.813 -10.130  14.189
  745   1HE   LYS 104          1HE       LYS 104  -0.752  -8.415  15.426
  746   2HE   LYS 104          2HE       LYS 104  -2.102  -7.302  15.201
  747   1HZ   LYS 104          3HZ       LYS 104  -2.268  -9.839  16.733
  748   2HZ   LYS 104          2HZ       LYS 104  -2.012  -8.314  17.436
  749   3HZ   LYS 104          1HZ       LYS 104  -3.461  -8.640  16.615
  750    H    VAL 105           H        VAL 105  -1.754  -6.499   9.986
  751    HA   VAL 105           HA       VAL 105   0.998  -6.856   8.897
  752    HB   VAL 105           HB       VAL 105   0.500  -5.760   6.813
  753   1HG1  VAL 105          2HG1      VAL 105  -0.167  -8.181   7.021
  754   2HG1  VAL 105          1HG1      VAL 105  -1.815  -7.637   7.324
  755   3HG1  VAL 105          3HG1      VAL 105  -1.049  -7.295   5.776
  756   1HG2  VAL 105          3HG2      VAL 105  -1.945  -4.895   8.253
  757   2HG2  VAL 105          2HG2      VAL 105  -0.998  -4.049   7.030
  758   3HG2  VAL 105          1HG2      VAL 105  -2.169  -5.275   6.544
  759    H    LYS 106           H        LYS 106   2.237  -5.029   8.990
  760    HA   LYS 106           HA       LYS 106   1.364  -2.829  10.720
  761   1HB   LYS 106          1HB       LYS 106   3.871  -3.734   9.351
  762   2HB   LYS 106          2HB       LYS 106   3.682  -1.999   9.498
  763   1HG   LYS 106          1HG       LYS 106   4.674  -2.305  11.510
  764   2HG   LYS 106          2HG       LYS 106   3.054  -2.783  12.027
  765   1HD   LYS 106          1HD       LYS 106   3.622  -4.995  12.170
  766   2HD   LYS 106          2HD       LYS 106   4.615  -4.924  10.714
  767   1HE   LYS 106          1HE       LYS 106   6.262  -5.221  12.325
  768   2HE   LYS 106          2HE       LYS 106   6.200  -3.461  12.251
  769   1HZ   LYS 106          1HZ       LYS 106   4.494  -4.972  14.129
  770   2HZ   LYS 106          3HZ       LYS 106   6.093  -4.572  14.530
  771   3HZ   LYS 106          2HZ       LYS 106   4.969  -3.341  14.198
  772    H    VAL 107           H        VAL 107   0.942  -0.659   9.658
  773    HA   VAL 107           HA       VAL 107   0.921  -0.829   6.675
  774    HB   VAL 107           HB       VAL 107  -1.305   0.238   6.573
  775   1HG1  VAL 107          2HG1      VAL 107  -0.999  -2.331   8.039
  776   2HG1  VAL 107          1HG1      VAL 107  -2.605  -1.649   7.785
  777   3HG1  VAL 107          3HG1      VAL 107  -1.582  -2.028   6.402
  778   1HG2  VAL 107          3HG2      VAL 107  -0.716   0.823   9.275
  779   2HG2  VAL 107          2HG2      VAL 107  -2.121   1.317   8.351
  780   3HG2  VAL 107          1HG2      VAL 107  -2.153  -0.191   9.268
  781    H    HIS 108           H        HIS 108   1.167   1.200   5.643
  782    HA   HIS 108           HA       HIS 108   1.252   3.670   7.218
  783   1HB   HIS 108          1HB       HIS 108   3.454   2.717   7.787
  784   2HB   HIS 108          2HB       HIS 108   3.836   2.558   6.075
  785    HD1  HIS 108           HD1      HIS 108   5.785   4.283   7.389
  786    HD2  HIS 108           HD2      HIS 108   2.109   5.829   6.178
  787    HE1  HIS 108           HE1      HIS 108   6.089   6.790   7.210
  788    H    MET 109           H        MET 109  -0.053   4.670   5.709
  789    HA   MET 109           HA       MET 109   0.861   4.510   2.867
  790   1HB   MET 109          1HB       MET 109  -1.776   5.733   3.314
  791   2HB   MET 109          2HB       MET 109  -1.321   4.445   2.211
  792   1HG   MET 109          2HG       MET 109  -2.571   3.102   3.587
  793   2HG   MET 109          1HG       MET 109  -1.190   3.154   4.675
  794   1HE   MET 109          1HE       MET 109  -4.508   3.433   4.043
  795   2HE   MET 109          3HE       MET 109  -5.295   4.263   5.392
  796   3HE   MET 109          2HE       MET 109  -4.790   5.170   3.970
  797    H    LYS 110           H        LYS 110   1.354   6.461   1.717
  798    HA   LYS 110           HA       LYS 110   0.939   8.984   3.303
  799   1HB   LYS 110          1HB       LYS 110   3.366   7.758   3.146
  800   2HB   LYS 110          2HB       LYS 110   3.447   8.814   1.738
  801   1HG   LYS 110          1HG       LYS 110   3.296  10.750   3.034
  802   2HG   LYS 110          2HG       LYS 110   2.489   9.914   4.358
  803   1HD   LYS 110          1HD       LYS 110   4.480   8.952   5.143
  804   2HD   LYS 110          2HD       LYS 110   5.310   9.195   3.605
  805   1HE   LYS 110          1HE       LYS 110   5.563  11.518   3.978
  806   2HE   LYS 110          2HE       LYS 110   4.344  11.532   5.252
  807   1HZ   LYS 110          3HZ       LYS 110   6.951  10.120   5.419
  808   2HZ   LYS 110          2HZ       LYS 110   6.625  11.635   6.113
  809   3HZ   LYS 110          1HZ       LYS 110   5.797  10.255   6.654
  810    H    LYS 111           H        LYS 111   2.192  10.701   1.453
  811    HA   LYS 111           HA       LYS 111   0.360  10.388  -0.885
  812   1HB   LYS 111          1HB       LYS 111   0.109  12.430   0.608
  813   2HB   LYS 111          2HB       LYS 111   1.700  12.941   0.042
  814   1HG   LYS 111          1HG       LYS 111   0.731  12.606  -2.339
  815   2HG   LYS 111          2HG       LYS 111  -0.844  12.614  -1.545
  816   1HD   LYS 111          1HD       LYS 111   0.513  14.791  -0.428
  817   2HD   LYS 111          2HD       LYS 111   0.919  14.848  -2.144
  818   1HE   LYS 111          1HE       LYS 111  -1.090  16.051  -2.073
  819   2HE   LYS 111          2HE       LYS 111  -1.637  14.430  -2.504
  820   1HZ   LYS 111          1HZ       LYS 111  -1.438  15.231   0.323
  821   2HZ   LYS 111          3HZ       LYS 111  -2.798  15.668  -0.590
  822   3HZ   LYS 111          2HZ       LYS 111  -2.407  14.028  -0.383
  823    H    ALA 112           H        ALA 112   1.560   9.358  -2.409
  824    HA   ALA 112           HA       ALA 112   4.328   9.377  -2.766
  825   1HB   ALA 112          1HB       ALA 112   2.160   8.292  -4.083
  826   2HB   ALA 112          3HB       ALA 112   2.866   9.356  -5.300
  827   3HB   ALA 112          2HB       ALA 112   3.846   8.096  -4.553
  828    H    LEU 113           H        LEU 113   5.763  10.610  -4.027
  829    HA   LEU 113           HA       LEU 113   5.042  13.430  -4.304
  830   1HB   LEU 113          1HB       LEU 113   7.430  11.972  -3.944
  831   2HB   LEU 113          2HB       LEU 113   7.572  12.740  -5.526
  832    HG   LEU 113           HG       LEU 113   6.795  14.897  -4.402
  833   1HD1  LEU 113          3HD1      LEU 113   5.940  13.616  -2.361
  834   2HD1  LEU 113          2HD1      LEU 113   7.627  13.452  -1.877
  835   3HD1  LEU 113          1HD1      LEU 113   6.903  15.054  -2.020
  836   1HD2  LEU 113          2HD2      LEU 113   9.174  14.361  -5.005
  837   2HD2  LEU 113          1HD2      LEU 113   9.033  15.416  -3.599
  838   3HD2  LEU 113          3HD2      LEU 113   9.391  13.703  -3.383
  839    H    SER 114           H        SER 114   4.787  10.704  -6.321
  840    HA   SER 114           HA       SER 114   5.481  11.618  -8.878
  841   1HB   SER 114          1HB       SER 114   2.856  10.246  -8.708
  842   2HB   SER 114          2HB       SER 114   4.275   9.846  -9.670
  843    HG   SER 114           HG       SER 114   4.948   8.588  -8.121
  844    H    GLY 115           H        GLY 115   2.890  12.688  -6.810
  845   1HA   GLY 115          1HA       GLY 115   2.260  15.106  -7.600
  846   2HA   GLY 115          2HA       GLY 115   1.697  14.259  -9.042
  847    H    ASP 116           H        ASP 116   0.965  15.086  -5.779
  848    HA   ASP 116           HA       ASP 116  -0.832  14.537  -4.360
  849   1HB   ASP 116          1HB       ASP 116  -2.991  14.967  -5.385
  850   2HB   ASP 116          2HB       ASP 116  -1.809  16.088  -6.060
  851    H    SER 117           H        SER 117   0.564  12.190  -5.246
  852    HA   SER 117           HA       SER 117  -1.535  10.234  -5.933
  853   1HB   SER 117          1HB       SER 117   1.377  10.336  -6.025
  854   2HB   SER 117          2HB       SER 117   0.791   8.828  -5.330
  855    HG   SER 117           HG       SER 117   0.488   9.877  -7.889
  856    H    TYR 118           H        TYR 118  -1.116   8.043  -4.533
  857    HA   TYR 118           HA       TYR 118  -0.839   8.647  -1.646
  858   1HB   TYR 118          1HB       TYR 118  -3.366   7.340  -2.676
  859   2HB   TYR 118          2HB       TYR 118  -3.081   7.988  -1.057
  860    HD1  TYR 118           HD2      TYR 118  -2.747  10.509  -0.829
  861    HD2  TYR 118           HD1      TYR 118  -4.237   8.632  -4.393
  862    HE1  TYR 118           HE2      TYR 118  -3.672  12.668  -1.584
  863    HE2  TYR 118           HE1      TYR 118  -5.165  10.783  -5.140
  864    HH   TYR 118           HH       TYR 118  -5.413  12.964  -4.687
  865    H    TRP 119           H        TRP 119   0.497   6.955  -0.990
  866    HA   TRP 119           HA       TRP 119  -0.093   4.325  -2.201
  867   1HB   TRP 119          1HB       TRP 119   2.321   3.756  -1.821
  868   2HB   TRP 119          2HB       TRP 119   1.978   4.904  -3.103
  869    HD1  TRP 119           HD1      TRP 119   3.241   7.102  -2.984
  870    HE1  TRP 119           HE1      TRP 119   4.799   8.239  -1.269
  871    HE3  TRP 119           HE3      TRP 119   2.512   4.006   0.807
  872    HZ2  TRP 119           HZ2      TRP 119   5.638   7.797   1.455
  873    HZ3  TRP 119           HZ3      TRP 119   3.692   4.298   2.998
  874    HH2  TRP 119           HH2      TRP 119   5.249   6.195   3.312
  875    H    VAL 120           H        VAL 120   0.204   2.443  -0.999
  876    HA   VAL 120           HA       VAL 120   0.099   2.866   1.954
  877    HB   VAL 120           HB       VAL 120  -1.505   0.835   0.366
  878   1HG1  VAL 120          2HG1      VAL 120  -1.264   1.592   3.263
  879   2HG1  VAL 120          1HG1      VAL 120  -2.794   0.962   2.653
  880   3HG1  VAL 120          3HG1      VAL 120  -1.330  -0.012   2.533
  881   1HG2  VAL 120          3HG2      VAL 120  -1.927   3.614   0.562
  882   2HG2  VAL 120          2HG2      VAL 120  -3.085   2.402   0.015
  883   3HG2  VAL 120          1HG2      VAL 120  -3.050   2.885   1.710
  884    H    PHE 121           H        PHE 121   1.918   1.923   2.730
  885    HA   PHE 121           HA       PHE 121   3.046  -0.443   1.358
  886   1HB   PHE 121          1HB       PHE 121   4.161   1.198   3.648
  887   2HB   PHE 121          2HB       PHE 121   5.015  -0.059   2.770
  888    HD1  PHE 121           HD2      PHE 121   3.317   1.106   0.147
  889    HD2  PHE 121           HD1      PHE 121   6.205   2.581   2.958
  890    HE1  PHE 121           HE2      PHE 121   4.043   2.811  -1.500
  891    HE2  PHE 121           HE1      PHE 121   6.895   4.314   1.329
  892    HZ   PHE 121           HZ       PHE 121   5.823   4.414  -0.902
  893    H    VAL 122           H        VAL 122   1.956  -2.254   2.047
  894    HA   VAL 122           HA       VAL 122   1.299  -2.462   4.906
  895    HB   VAL 122           HB       VAL 122   0.310  -3.699   2.413
  896   1HG1  VAL 122          3HG1      VAL 122   0.582  -5.394   4.921
  897   2HG1  VAL 122          2HG1      VAL 122  -0.449  -5.795   3.549
  898   3HG1  VAL 122          1HG1      VAL 122   1.298  -5.739   3.348
  899   1HG2  VAL 122          2HG2      VAL 122  -0.746  -2.184   4.343
  900   2HG2  VAL 122          1HG2      VAL 122  -1.723  -3.337   3.433
  901   3HG2  VAL 122          3HG2      VAL 122  -1.116  -3.765   5.033
  902    H    LYS 123           H        LYS 123   2.791  -3.234   6.189
  903    HA   LYS 123           HA       LYS 123   4.889  -5.047   5.165
  904   1HB   LYS 123          1HB       LYS 123   4.767  -3.042   7.202
  905   2HB   LYS 123          2HB       LYS 123   5.089  -4.593   7.997
  906   1HG   LYS 123          1HG       LYS 123   7.254  -4.073   7.445
  907   2HG   LYS 123          2HG       LYS 123   6.797  -4.769   5.890
  908   1HD   LYS 123          1HD       LYS 123   6.190  -2.552   5.043
  909   2HD   LYS 123          2HD       LYS 123   6.485  -1.869   6.618
  910   1HE   LYS 123          1HE       LYS 123   8.326  -1.985   4.539
  911   2HE   LYS 123          2HE       LYS 123   8.647  -1.603   6.215
  912   1HZ   LYS 123          3HZ       LYS 123   8.584  -4.396   5.249
  913   2HZ   LYS 123          2HZ       LYS 123  10.001  -3.459   5.196
  914   3HZ   LYS 123          1HZ       LYS 123   9.259  -3.800   6.686
  915    H    ARG 124           H        ARG 124   5.016  -7.241   5.845
  916    HA   ARG 124           HA       ARG 124   2.456  -8.221   6.973
  917   1HB   ARG 124          1HB       ARG 124   3.308  -9.443   5.046
  918   2HB   ARG 124          2HB       ARG 124   4.863  -9.697   5.841
  919   1HG   ARG 124          1HG       ARG 124   4.029 -11.321   7.256
  920   2HG   ARG 124          2HG       ARG 124   2.405 -10.633   7.259
  921   1HD   ARG 124          1HD       ARG 124   1.763 -11.835   5.443
  922   2HD   ARG 124          2HD       ARG 124   3.302 -11.584   4.619
  923    HE   ARG 124           HE       ARG 124   3.597 -13.410   6.841
  924   1HH1  ARG 124          1HH2      ARG 124   4.659 -13.464   3.910
  925   2HH1  ARG 124          2HH2      ARG 124   3.948 -14.946   3.364
  926   1HH2  ARG 124          2HH1      ARG 124   1.729 -15.168   6.018
  927   2HH2  ARG 124          1HH1      ARG 124   2.289 -15.910   4.558
  928    H    VAL 125           H        VAL 125   2.235  -8.474   9.105
  929    HA   VAL 125           HA       VAL 125   4.610  -8.442  10.834
  930    HB   VAL 125           HB       VAL 125   1.892  -8.940  11.971
  931   1HG1  VAL 125          3HG1      VAL 125   4.364  -7.371  12.618
  932   2HG1  VAL 125          2HG1      VAL 125   2.841  -7.016  13.434
  933   3HG1  VAL 125          1HG1      VAL 125   3.560  -8.621  13.570
  934   1HG2  VAL 125          1HG2      VAL 125   2.462  -6.713  10.158
  935   2HG2  VAL 125          3HG2      VAL 125   0.936  -7.208  10.886
  936   3HG2  VAL 125          2HG2      VAL 125   2.034  -6.159  11.773
  937    H2   HC4  69           H2       HC4  69  -6.804  -4.745   2.963
  938    H3   HC4  69           H3       HC4  69  -7.747  -7.170   1.365
  939    H2'  HC4  69           H2'      HC4  69  -6.031  -7.928  -0.272
  940    H3'  HC4  69           H3'      HC4  69  -3.825  -7.722  -1.366
  941    H5'  HC4  69           H5'      HC4  69  -2.963  -4.255   1.072
  942    H6'  HC4  69           H6'      HC4  69  -5.188  -4.487   2.118
   
  No H/Q in entry =         942
  Start of MODEL    9
    1   1H    MET   1           H3       MET   1  13.116   8.539  14.936
    2   2H    MET   1           H2       MET   1  14.698   9.138  15.091
    3   3H    MET   1           H1       MET   1  13.737   9.600  13.768
    4    HA   MET   1           HA       MET   1  15.295   7.987  12.999
    5   1HB   MET   1          1HB       MET   1  15.484   7.069  15.444
    6   2HB   MET   1          2HB       MET   1  14.172   5.997  14.956
    7   1HG   MET   1          2HG       MET   1  15.477   5.020  13.220
    8   2HG   MET   1          1HG       MET   1  16.694   6.293  13.317
    9   1HE   MET   1          1HE       MET   1  17.113   3.600  12.998
   10   2HE   MET   1          3HE       MET   1  18.551   3.357  14.001
   11   3HE   MET   1          2HE       MET   1  17.075   2.455  14.337
   12    H    GLU   2           H        GLU   2  12.838   8.871  12.111
   13    HA   GLU   2           HA       GLU   2  11.354   6.361  11.450
   14   1HB   GLU   2          1HB       GLU   2  10.540   9.169  11.919
   15   2HB   GLU   2          2HB       GLU   2   9.743   8.375  10.559
   16   1HG   GLU   2          1HG       GLU   2   8.428   7.972  12.562
   17   2HG   GLU   2          2HG       GLU   2   9.189   6.457  12.077
   18    H    HIS   3           H        HIS   3  12.132   5.571   9.541
   19    HA   HIS   3           HA       HIS   3  13.226   7.360   7.497
   20   1HB   HIS   3          1HB       HIS   3  13.079   4.443   7.963
   21   2HB   HIS   3          2HB       HIS   3  13.021   4.929   6.268
   22    HD1  HIS   3           HD1      HIS   3  15.103   6.146   5.292
   23    HD2  HIS   3           HD2      HIS   3  15.545   4.996   9.275
   24    HE1  HIS   3           HE1      HIS   3  17.561   6.411   5.847
   25    H    VAL   4           H        VAL   4  10.758   4.790   7.157
   26    HA   VAL   4           HA       VAL   4   8.648   6.464   6.248
   27    HB   VAL   4           HB       VAL   4  10.113   7.032   4.383
   28   1HG1  VAL   4          2HG1      VAL   4  11.086   4.444   4.745
   29   2HG1  VAL   4          1HG1      VAL   4  10.271   4.379   3.183
   30   3HG1  VAL   4          3HG1      VAL   4  11.552   5.559   3.461
   31   1HG2  VAL   4          1HG2      VAL   4   7.562   5.925   4.120
   32   2HG2  VAL   4          3HG2      VAL   4   8.410   6.875   2.899
   33   3HG2  VAL   4          2HG2      VAL   4   8.508   5.113   2.872
   34    H    ALA   5           H        ALA   5   7.003   5.106   6.826
   35    HA   ALA   5           HA       ALA   5   5.713   3.145   7.010
   36   1HB   ALA   5          1HB       ALA   5   7.095   2.967   4.401
   37   2HB   ALA   5          3HB       ALA   5   6.529   1.426   5.050
   38   3HB   ALA   5          2HB       ALA   5   5.389   2.743   4.784
   39    H    PHE   6           H        PHE   6   6.624   2.338   8.983
   40    HA   PHE   6           HA       PHE   6   7.921   0.929  10.352
   41   1HB   PHE   6          1HB       PHE   6   8.377  -1.262   8.568
   42   2HB   PHE   6          2HB       PHE   6   7.213  -1.134   9.870
   43    HD1  PHE   6           HD2      PHE   6   4.951  -0.190   9.441
   44    HD2  PHE   6           HD1      PHE   6   7.672  -1.065   6.235
   45    HE1  PHE   6           HE2      PHE   6   3.082  -0.166   7.819
   46    HE2  PHE   6           HE1      PHE   6   5.799  -1.041   4.645
   47    HZ   PHE   6           HZ       PHE   6   3.523  -0.592   5.436
   48    H    GLY   7           H        GLY   7   9.422  -0.377   7.422
   49   1HA   GLY   7          1HA       GLY   7  11.856   1.241   7.817
   50   2HA   GLY   7          2HA       GLY   7  12.022  -0.507   8.036
   51    H    SER   8           H        SER   8  10.202   1.522   5.743
   52    HA   SER   8           HA       SER   8  10.641  -0.311   3.575
   53   1HB   SER   8          1HB       SER   8   9.783   2.510   3.124
   54   2HB   SER   8          2HB       SER   8   9.232   1.031   2.359
   55    HG   SER   8           HG       SER   8   7.932   0.648   3.950
   56    H    GLU   9           H        GLU   9  12.009  -0.014   1.735
   57    HA   GLU   9           HA       GLU   9  14.484   1.468   2.290
   58   1HB   GLU   9          1HB       GLU   9  13.536  -0.533   0.292
   59   2HB   GLU   9          2HB       GLU   9  14.864   0.521  -0.194
   60   1HG   GLU   9          1HG       GLU   9  16.272  -0.807   0.964
   61   2HG   GLU   9          2HG       GLU   9  15.456  -0.306   2.445
   62    H    ASP  10           H        ASP  10  13.044   3.598   2.178
   63    HA   ASP  10           HA       ASP  10  12.388   5.519   0.966
   64   1HB   ASP  10          1HB       ASP  10  14.772   4.453  -0.557
   65   2HB   ASP  10          2HB       ASP  10  13.944   5.922  -1.074
   66    H    ILE  11           H        ILE  11  10.348   4.273   0.454
   67    HA   ILE  11           HA       ILE  11  10.184   2.943  -2.105
   68    HB   ILE  11           HB       ILE  11   7.795   3.892  -0.685
   69   1HG1  ILE  11          1HG1      ILE  11   9.189   3.042   1.144
   70   2HG1  ILE  11          2HG1      ILE  11   7.883   1.914   0.798
   71   1HG2  ILE  11          2HG2      ILE  11   8.224   2.334  -2.853
   72   2HG2  ILE  11          1HG2      ILE  11   8.095   1.122  -1.579
   73   3HG2  ILE  11          3HG2      ILE  11   6.776   2.253  -1.856
   74   1HD1  ILE  11          1HD1      ILE  11  10.320   1.470  -0.796
   75   2HD1  ILE  11          3HD1      ILE  11  10.509   1.205   0.937
   76   3HD1  ILE  11          2HD1      ILE  11   9.282   0.320   0.040
   77    H    GLU  12           H        GLU  12   8.555   5.869  -0.865
   78    HA   GLU  12           HA       GLU  12   7.323   6.725  -3.137
   79   1HB   GLU  12          1HB       GLU  12   7.781   9.096  -2.382
   80   2HB   GLU  12          2HB       GLU  12   7.153   8.033  -1.123
   81   1HG   GLU  12          1HG       GLU  12   9.362   7.709  -0.197
   82   2HG   GLU  12          2HG       GLU  12  10.103   8.572  -1.545
   83    H    ASN  13           H        ASN  13  10.819   6.826  -2.656
   84    HA   ASN  13           HA       ASN  13  11.208   8.371  -5.142
   85   1HB   ASN  13          1HB       ASN  13  12.751   7.978  -2.855
   86   2HB   ASN  13          2HB       ASN  13  13.565   6.999  -4.077
   87   1HD2  ASN  13          2HD2      ASN  13  13.112  10.980  -5.029
   88   2HD2  ASN  13          1HD2      ASN  13  11.821  10.154  -4.300
   89    H    THR  14           H        THR  14  11.590   5.062  -3.955
   90    HA   THR  14           HA       THR  14  12.639   3.979  -6.422
   91    HB   THR  14           HB       THR  14  11.367   2.770  -3.949
   92    HG1  THR  14           HG1      THR  14  13.594   1.908  -3.904
   93   1HG2  THR  14          2HG2      THR  14  12.248   1.411  -6.494
   94   2HG2  THR  14          1HG2      THR  14  12.296   0.570  -4.945
   95   3HG2  THR  14          3HG2      THR  14  10.763   1.170  -5.574
   96    H    LEU  15           H        LEU  15   9.520   5.046  -5.566
   97    HA   LEU  15           HA       LEU  15   8.190   3.155  -7.409
   98   1HB   LEU  15          1HB       LEU  15   6.964   5.332  -5.688
   99   2HB   LEU  15          2HB       LEU  15   6.107   4.031  -6.513
  100    HG   LEU  15           HG       LEU  15   8.273   3.409  -4.533
  101   1HD1  LEU  15          3HD1      LEU  15   5.804   4.742  -3.948
  102   2HD1  LEU  15          2HD1      LEU  15   5.746   3.108  -3.291
  103   3HD1  LEU  15          1HD1      LEU  15   7.048   4.199  -2.828
  104   1HD2  LEU  15          1HD2      LEU  15   6.587   1.903  -6.207
  105   2HD2  LEU  15          3HD2      LEU  15   7.615   1.288  -4.913
  106   3HD2  LEU  15          2HD2      LEU  15   5.933   1.707  -4.579
  107    H    ALA  16           H        ALA  16   9.664   6.202  -7.503
  108    HA   ALA  16           HA       ALA  16   7.903   7.208  -9.664
  109   1HB   ALA  16          1HB       ALA  16   9.054   8.592  -7.698
  110   2HB   ALA  16          3HB       ALA  16  10.409   8.616  -8.826
  111   3HB   ALA  16          2HB       ALA  16   8.852   9.293  -9.303
  112    H    LYS  17           H        LYS  17  11.163   5.956  -9.104
  113    HA   LYS  17           HA       LYS  17  11.548   5.922 -12.076
  114   1HB   LYS  17          1HB       LYS  17  13.101   7.361 -10.450
  115   2HB   LYS  17          2HB       LYS  17  13.893   5.801 -10.225
  116   1HG   LYS  17          1HG       LYS  17  13.667   5.766 -12.904
  117   2HG   LYS  17          2HG       LYS  17  13.737   7.511 -12.657
  118   1HD   LYS  17          1HD       LYS  17  15.863   7.402 -11.636
  119   2HD   LYS  17          2HD       LYS  17  15.720   5.672 -11.323
  120   1HE   LYS  17          1HE       LYS  17  15.738   6.765 -14.137
  121   2HE   LYS  17          2HE       LYS  17  17.235   6.387 -13.285
  122   1HZ   LYS  17          1HZ       LYS  17  15.859   4.176 -12.816
  123   2HZ   LYS  17          3HZ       LYS  17  15.181   4.601 -14.311
  124   3HZ   LYS  17          2HZ       LYS  17  16.858   4.369 -14.177
  125    H    MET  18           H        MET  18  10.401   3.788 -11.869
  126    HA   MET  18           HA       MET  18  12.345   1.667 -11.055
  127   1HB   MET  18          1HB       MET  18  10.080   2.158  -9.662
  128   2HB   MET  18          2HB       MET  18   9.448   1.050 -10.880
  129   1HG   MET  18          2HG       MET  18  10.805  -0.709 -10.183
  130   2HG   MET  18          1HG       MET  18  12.009   0.371  -9.477
  131   1HE   MET  18          3HE       MET  18   8.258   0.667  -9.326
  132   2HE   MET  18          2HE       MET  18   8.308  -1.074  -9.054
  133   3HE   MET  18          1HE       MET  18   7.769  -0.003  -7.765
  134    H    ASP  19           H        ASP  19  11.421  -0.536 -12.021
  135    HA   ASP  19           HA       ASP  19  10.289  -0.114 -14.732
  136   1HB   ASP  19          1HB       ASP  19  13.066  -0.709 -14.166
  137   2HB   ASP  19          2HB       ASP  19  12.324  -2.046 -15.046
  138    H    ASP  20           H        ASP  20  11.761  -2.700 -12.739
  139    HA   ASP  20           HA       ASP  20   9.389  -4.066 -12.087
  140   1HB   ASP  20          1HB       ASP  20   9.034  -4.414 -14.488
  141   2HB   ASP  20          2HB       ASP  20  10.666  -5.057 -14.663
  142    H    GLY  21           H        GLY  21  10.351  -4.750 -10.240
  143   1HA   GLY  21          1HA       GLY  21  11.525  -6.683  -9.242
  144   2HA   GLY  21          2HA       GLY  21  12.729  -6.537 -10.525
  145    H    GLN  22           H        GLN  22  11.498  -3.639  -9.054
  146    HA   GLN  22           HA       GLN  22  14.153  -3.264  -7.743
  147   1HB   GLN  22          1HB       GLN  22  12.674  -1.608  -9.496
  148   2HB   GLN  22          2HB       GLN  22  12.606  -0.841  -7.909
  149   1HG   GLN  22          1HG       GLN  22  15.067  -1.016  -7.723
  150   2HG   GLN  22          2HG       GLN  22  15.126  -1.749  -9.327
  151   1HE2  GLN  22          2HE2      GLN  22  14.135   2.243  -9.059
  152   2HE2  GLN  22          1HE2      GLN  22  13.786   1.219  -7.750
  153    H    LEU  23           H        LEU  23  10.705  -3.371  -7.216
  154    HA   LEU  23           HA       LEU  23  11.215  -2.671  -4.352
  155   1HB   LEU  23          1HB       LEU  23   9.109  -1.658  -4.168
  156   2HB   LEU  23          2HB       LEU  23   9.652  -1.154  -5.759
  157    HG   LEU  23           HG       LEU  23   7.825  -3.520  -5.256
  158   1HD1  LEU  23          2HD1      LEU  23   7.314  -0.625  -5.565
  159   2HD1  LEU  23          1HD1      LEU  23   6.324  -1.672  -6.580
  160   3HD1  LEU  23          3HD1      LEU  23   6.311  -1.874  -4.828
  161   1HD2  LEU  23          2HD2      LEU  23   9.130  -2.325  -7.640
  162   2HD2  LEU  23          1HD2      LEU  23   8.607  -3.986  -7.360
  163   3HD2  LEU  23          3HD2      LEU  23   7.432  -2.756  -7.832
  164    H    ASP  24           H        ASP  24  10.500  -5.230  -6.400
  165    HA   ASP  24           HA       ASP  24   8.591  -6.673  -4.811
  166   1HB   ASP  24          1HB       ASP  24   9.331  -8.644  -6.090
  167   2HB   ASP  24          2HB       ASP  24   9.098  -7.261  -7.160
  168    H    GLY  25           H        GLY  25  11.853  -5.878  -4.204
  169   1HA   GLY  25          1HA       GLY  25  12.291  -8.258  -2.493
  170   2HA   GLY  25          2HA       GLY  25  13.509  -7.048  -2.901
  171    H    LEU  26           H        LEU  26  10.307  -6.102  -1.839
  172    HA   LEU  26           HA       LEU  26  11.529  -4.899   0.569
  173   1HB   LEU  26          1HB       LEU  26   8.879  -4.446  -0.846
  174   2HB   LEU  26          2HB       LEU  26   9.302  -3.688   0.688
  175    HG   LEU  26           HG       LEU  26  11.192  -3.449  -1.632
  176   1HD1  LEU  26          2HD1      LEU  26   8.871  -2.829  -2.424
  177   2HD1  LEU  26          1HD1      LEU  26   8.831  -1.601  -1.159
  178   3HD1  LEU  26          3HD1      LEU  26  10.022  -1.494  -2.456
  179   1HD2  LEU  26          2HD2      LEU  26  10.973  -2.439   1.027
  180   2HD2  LEU  26          1HD2      LEU  26  12.219  -2.078  -0.166
  181   3HD2  LEU  26          3HD2      LEU  26  10.772  -1.076  -0.074
  182    H    ALA  27           H        ALA  27  10.183  -5.044   2.543
  183    HA   ALA  27           HA       ALA  27   9.114  -7.795   2.880
  184   1HB   ALA  27          3HB       ALA  27  10.557  -5.948   4.558
  185   2HB   ALA  27          2HB       ALA  27   9.031  -6.374   5.337
  186   3HB   ALA  27          1HB       ALA  27  10.166  -7.640   4.868
  187    H    PHE  28           H        PHE  28   7.758  -5.339   1.607
  188    HA   PHE  28           HA       PHE  28   5.136  -5.769   2.857
  189   1HB   PHE  28          1HB       PHE  28   4.801  -3.210   2.861
  190   2HB   PHE  28          2HB       PHE  28   5.772  -3.880   4.163
  191    HD1  PHE  28           HD2      PHE  28   8.327  -3.950   3.846
  192    HD2  PHE  28           HD1      PHE  28   5.693  -1.563   1.442
  193    HE1  PHE  28           HE2      PHE  28  10.242  -2.546   3.155
  194    HE2  PHE  28           HE1      PHE  28   7.605  -0.148   0.758
  195    HZ   PHE  28           HZ       PHE  28   9.886  -0.643   1.612
  196    H    GLY  29           H        GLY  29   3.535  -4.238   1.490
  197   1HA   GLY  29          1HA       GLY  29   4.329  -4.634  -1.361
  198   2HA   GLY  29          2HA       GLY  29   2.673  -4.628  -0.773
  199    H    ALA  30           H        ALA  30   4.677  -2.781  -2.545
  200    HA   ALA  30           HA       ALA  30   3.828  -0.226  -1.286
  201   1HB   ALA  30          1HB       ALA  30   6.227  -0.676  -2.191
  202   2HB   ALA  30          3HB       ALA  30   5.508  -0.433  -3.783
  203   3HB   ALA  30          2HB       ALA  30   5.464   0.863  -2.588
  204    H    ILE  31           H        ILE  31   1.663  -0.070  -1.788
  205    HA   ILE  31           HA       ILE  31   0.911  -0.354  -4.652
  206    HB   ILE  31           HB       ILE  31  -1.333  -0.694  -3.936
  207   1HG1  ILE  31          1HG1      ILE  31  -1.778  -0.457  -1.352
  208   2HG1  ILE  31          2HG1      ILE  31  -0.405   0.642  -1.411
  209   1HG2  ILE  31          3HG2      ILE  31   0.493  -1.907  -1.839
  210   2HG2  ILE  31          2HG2      ILE  31  -1.129  -2.476  -2.235
  211   3HG2  ILE  31          1HG2      ILE  31   0.159  -2.582  -3.432
  212   1HD1  ILE  31          3HD1      ILE  31  -2.370   1.081  -3.558
  213   2HD1  ILE  31          2HD1      ILE  31  -3.011   1.362  -1.939
  214   3HD1  ILE  31          1HD1      ILE  31  -1.593   2.252  -2.493
  215    H    GLN  32           H        GLN  32  -0.102   1.360  -5.740
  216    HA   GLN  32           HA       GLN  32   0.021   3.989  -4.323
  217   1HB   GLN  32          1HB       GLN  32   1.031   3.124  -6.970
  218   2HB   GLN  32          2HB       GLN  32   0.188   4.672  -6.953
  219   1HG   GLN  32          1HG       GLN  32   1.640   5.353  -5.006
  220   2HG   GLN  32          2HG       GLN  32   2.571   3.877  -5.263
  221   1HE2  GLN  32          2HE2      GLN  32   3.053   7.041  -7.789
  222   2HE2  GLN  32          1HE2      GLN  32   1.863   7.076  -6.578
  223    H    LEU  33           H        LEU  33  -1.502   5.619  -5.516
  224    HA   LEU  33           HA       LEU  33  -3.840   4.311  -6.738
  225   1HB   LEU  33          1HB       LEU  33  -3.928   5.725  -4.060
  226   2HB   LEU  33          2HB       LEU  33  -5.364   5.459  -5.047
  227    HG   LEU  33           HG       LEU  33  -3.499   3.269  -4.081
  228   1HD1  LEU  33          3HD1      LEU  33  -6.264   4.092  -3.146
  229   2HD1  LEU  33          2HD1      LEU  33  -5.393   2.657  -2.603
  230   3HD1  LEU  33          1HD1      LEU  33  -4.767   4.263  -2.230
  231   1HD2  LEU  33          1HD2      LEU  33  -5.503   3.386  -6.142
  232   2HD2  LEU  33          3HD2      LEU  33  -4.534   2.004  -5.632
  233   3HD2  LEU  33          2HD2      LEU  33  -6.076   2.336  -4.846
  234    H    ASP  34           H        ASP  34  -5.122   5.823  -7.912
  235    HA   ASP  34           HA       ASP  34  -4.052   8.613  -7.910
  236   1HB   ASP  34          1HB       ASP  34  -4.570   6.743 -10.118
  237   2HB   ASP  34          2HB       ASP  34  -5.291   8.334 -10.353
  238    H    GLY  35           H        GLY  35  -5.468  10.193  -7.708
  239   1HA   GLY  35          1HA       GLY  35  -7.609  10.634  -6.409
  240   2HA   GLY  35          2HA       GLY  35  -7.635  11.282  -8.041
  241    H    ASP  36           H        ASP  36  -8.423   8.354  -6.234
  242    HA   ASP  36           HA       ASP  36 -11.113   8.097  -6.784
  243   1HB   ASP  36          1HB       ASP  36  -9.509   7.532  -9.195
  244   2HB   ASP  36          2HB       ASP  36 -10.631   6.240  -8.768
  245    H    GLY  37           H        GLY  37  -8.009   6.570  -6.486
  246   1HA   GLY  37          1HA       GLY  37  -7.588   4.902  -4.784
  247   2HA   GLY  37          2HA       GLY  37  -9.268   4.381  -4.931
  248    H    ASN  38           H        ASN  38  -7.678   5.105  -7.903
  249    HA   ASN  38           HA       ASN  38  -7.841   2.263  -8.670
  250   1HB   ASN  38          1HB       ASN  38  -6.973   4.744 -10.180
  251   2HB   ASN  38          2HB       ASN  38  -6.995   3.127 -10.886
  252   1HD2  ASN  38          2HD2      ASN  38 -10.446   5.201 -10.579
  253   2HD2  ASN  38          1HD2      ASN  38  -8.946   5.884 -10.174
  254    H    ILE  39           H        ILE  39  -6.153   0.888  -8.603
  255    HA   ILE  39           HA       ILE  39  -3.711   1.643  -7.350
  256    HB   ILE  39           HB       ILE  39  -4.957  -0.763  -8.036
  257   1HG1  ILE  39          1HG1      ILE  39  -2.816  -1.710  -6.895
  258   2HG1  ILE  39          2HG1      ILE  39  -2.338  -0.018  -6.751
  259   1HG2  ILE  39          2HG2      ILE  39  -3.587  -0.569 -10.223
  260   2HG2  ILE  39          1HG2      ILE  39  -2.190  -0.923  -9.209
  261   3HG2  ILE  39          3HG2      ILE  39  -3.511  -2.086  -9.328
  262   1HD1  ILE  39          3HD1      ILE  39  -5.104  -0.390  -5.952
  263   2HD1  ILE  39          2HD1      ILE  39  -4.026  -1.426  -5.015
  264   3HD1  ILE  39          1HD1      ILE  39  -3.767   0.318  -5.045
  265    H    LEU  40           H        LEU  40  -1.756   2.194  -8.078
  266    HA   LEU  40           HA       LEU  40  -1.446   2.694 -11.005
  267   1HB   LEU  40          1HB       LEU  40   0.440   3.777  -8.924
  268   2HB   LEU  40          2HB       LEU  40   0.010   4.459 -10.491
  269    HG   LEU  40           HG       LEU  40  -1.802   4.335  -8.060
  270   1HD1  LEU  40          3HD1      LEU  40   0.236   6.028  -8.349
  271   2HD1  LEU  40          2HD1      LEU  40  -0.925   6.863  -9.380
  272   3HD1  LEU  40          1HD1      LEU  40  -1.310   6.555  -7.686
  273   1HD2  LEU  40          2HD2      LEU  40  -2.787   4.165 -10.473
  274   2HD2  LEU  40          1HD2      LEU  40  -3.471   5.346  -9.358
  275   3HD2  LEU  40          3HD2      LEU  40  -2.329   5.864 -10.598
  276    H    GLN  41           H        GLN  41  -0.188   1.128  -8.154
  277    HA   GLN  41           HA       GLN  41   1.282  -0.803  -9.763
  278   1HB   GLN  41          1HB       GLN  41   3.318  -0.230  -7.996
  279   2HB   GLN  41          2HB       GLN  41   3.293   0.237  -9.690
  280   1HG   GLN  41          1HG       GLN  41   3.585   2.342  -8.906
  281   2HG   GLN  41          2HG       GLN  41   1.876   2.298  -8.508
  282   1HE2  GLN  41          1HE2      GLN  41   1.656   0.787  -6.276
  283   2HE2  GLN  41          2HE2      GLN  41   2.638   1.362  -5.024
  284    H    TYR  42           H        TYR  42   2.625  -2.200  -7.917
  285    HA   TYR  42           HA       TYR  42   1.154  -2.378  -5.383
  286   1HB   TYR  42          1HB       TYR  42  -0.078  -3.589  -7.488
  287   2HB   TYR  42          2HB       TYR  42   0.960  -4.901  -6.946
  288    HD1  TYR  42           HD1      TYR  42  -1.442  -2.344  -5.606
  289    HD2  TYR  42           HD2      TYR  42   0.252  -6.272  -5.179
  290    HE1  TYR  42           HE1      TYR  42  -3.035  -2.842  -3.767
  291    HE2  TYR  42           HE2      TYR  42  -1.347  -6.761  -3.345
  292    HH   TYR  42           HH       TYR  42  -3.331  -6.072  -2.429
  293    H    ASN  43           H        ASN  43   2.918  -4.555  -7.566
  294    HA   ASN  43           HA       ASN  43   5.167  -5.293  -7.392
  295   1HB   ASN  43          1HB       ASN  43   6.548  -4.903  -5.598
  296   2HB   ASN  43          2HB       ASN  43   5.398  -3.592  -5.382
  297   1HD2  ASN  43          2HD2      ASN  43   5.909  -5.407  -2.128
  298   2HD2  ASN  43          1HD2      ASN  43   6.966  -4.678  -3.231
  299    H    ALA  44           H        ALA  44   6.142  -7.323  -6.093
  300    HA   ALA  44           HA       ALA  44   3.910  -9.271  -6.120
  301   1HB   ALA  44          2HB       ALA  44   6.909  -9.543  -6.289
  302   2HB   ALA  44          1HB       ALA  44   5.847 -10.939  -6.100
  303   3HB   ALA  44          3HB       ALA  44   5.706  -9.911  -7.527
  304    H    ALA  45           H        ALA  45   5.912  -7.718  -3.765
  305    HA   ALA  45           HA       ALA  45   6.131  -9.777  -1.827
  306   1HB   ALA  45          2HB       ALA  45   7.044  -7.310  -1.826
  307   2HB   ALA  45          1HB       ALA  45   5.530  -6.954  -0.993
  308   3HB   ALA  45          3HB       ALA  45   6.674  -8.099  -0.292
  309    H    GLU  46           H        GLU  46   3.674  -7.176  -1.759
  310    HA   GLU  46           HA       GLU  46   1.995  -8.558   0.106
  311   1HB   GLU  46          1HB       GLU  46   0.246  -6.949  -0.616
  312   2HB   GLU  46          2HB       GLU  46   1.778  -6.161  -0.275
  313   1HG   GLU  46          1HG       GLU  46   2.296  -6.360  -2.758
  314   2HG   GLU  46          2HG       GLU  46   0.613  -6.822  -2.972
  315    HE1  GLU  46           HE1      GLU  46  -0.716  -5.296  -1.423
  316    H    GLY  47           H        GLY  47   1.944  -8.315  -3.420
  317   1HA   GLY  47          1HA       GLY  47  -0.443  -9.819  -3.840
  318   2HA   GLY  47          2HA       GLY  47   0.873  -9.674  -5.015
  319    H    ASP  48           H        ASP  48   2.659 -10.835  -2.675
  320    HA   ASP  48           HA       ASP  48   2.288 -13.627  -3.549
  321   1HB   ASP  48          1HB       ASP  48   4.410 -12.081  -2.120
  322   2HB   ASP  48          2HB       ASP  48   4.336 -13.821  -1.845
  323    H    ILE  49           H        ILE  49   1.745 -11.650  -0.707
  324    HA   ILE  49           HA       ILE  49   1.303 -13.934   1.057
  325    HB   ILE  49           HB       ILE  49   1.639 -11.104   1.266
  326   1HG1  ILE  49          1HG1      ILE  49   3.016 -12.813   2.361
  327   2HG1  ILE  49          2HG1      ILE  49   2.334 -11.697   3.544
  328   1HG2  ILE  49          3HG2      ILE  49  -0.728 -12.232   2.752
  329   2HG2  ILE  49          2HG2      ILE  49   0.153 -10.812   3.315
  330   3HG2  ILE  49          1HG2      ILE  49  -0.666 -10.780   1.754
  331   1HD1  ILE  49          3HD1      ILE  49   0.371 -13.466   3.620
  332   2HD1  ILE  49          2HD1      ILE  49   1.613 -14.555   3.004
  333   3HD1  ILE  49          1HD1      ILE  49   1.845 -13.735   4.548
  334    H    THR  50           H        THR  50  -0.640 -11.605  -0.688
  335    HA   THR  50           HA       THR  50  -3.078 -13.163   0.027
  336    HB   THR  50           HB       THR  50  -3.676 -11.090   0.834
  337    HG1  THR  50           HG1      THR  50  -4.183 -10.565  -1.888
  338   1HG2  THR  50          3HG2      THR  50  -1.393 -10.104  -0.194
  339   2HG2  THR  50          2HG2      THR  50  -2.514  -9.420  -1.360
  340   3HG2  THR  50          1HG2      THR  50  -2.686  -9.064   0.356
  341    H    GLY  51           H        GLY  51  -0.978 -12.787  -2.501
  342   1HA   GLY  51          1HA       GLY  51  -1.211 -13.652  -4.686
  343   2HA   GLY  51          2HA       GLY  51  -2.915 -13.916  -4.348
  344    H    ARG  52           H        ARG  52  -2.463 -10.773  -3.491
  345    HA   ARG  52           HA       ARG  52  -3.877  -9.764  -5.764
  346   1HB   ARG  52          1HB       ARG  52  -2.632  -8.607  -3.353
  347   2HB   ARG  52          2HB       ARG  52  -2.752  -7.518  -4.731
  348   1HG   ARG  52          1HG       ARG  52  -5.207  -8.788  -4.728
  349   2HG   ARG  52          2HG       ARG  52  -4.873  -8.559  -3.015
  350   1HD   ARG  52          1HD       ARG  52  -4.144  -6.167  -4.339
  351   2HD   ARG  52          2HD       ARG  52  -5.722  -6.629  -4.946
  352    HE   ARG  52           HE       ARG  52  -5.272  -5.460  -2.420
  353   1HH1  ARG  52          1HH2      ARG  52  -6.757  -8.462  -3.451
  354   2HH1  ARG  52          2HH2      ARG  52  -8.003  -8.335  -2.278
  355   1HH2  ARG  52          2HH1      ARG  52  -7.014  -5.282  -1.058
  356   2HH2  ARG  52          1HH1      ARG  52  -8.163  -6.571  -0.951
  357    H    ASP  53           H        ASP  53  -2.713 -10.312  -7.647
  358    HA   ASP  53           HA       ASP  53   0.061  -9.527  -8.022
  359   1HB   ASP  53          1HB       ASP  53  -2.121 -10.332  -9.973
  360   2HB   ASP  53          2HB       ASP  53  -0.465  -9.973 -10.465
  361    HA   PRO  54           HA       PRO  54  -0.695  -5.324  -9.098
  362   1HB   PRO  54          1HB       PRO  54   1.365  -4.856 -10.859
  363   2HB   PRO  54          2HB       PRO  54   1.585  -4.998  -9.106
  364   1HG   PRO  54          1HG       PRO  54   2.269  -6.955 -11.248
  365   2HG   PRO  54          2HG       PRO  54   2.992  -6.751  -9.644
  366   1HD   PRO  54          1HD       PRO  54   1.124  -8.749 -10.381
  367   2HD   PRO  54          2HD       PRO  54   1.606  -8.329  -8.723
  368    H    LYS  55           H        LYS  55  -0.011  -7.402 -11.928
  369    HA   LYS  55           HA       LYS  55  -1.235  -5.654 -13.839
  370   1HB   LYS  55          1HB       LYS  55  -0.294  -8.472 -13.804
  371   2HB   LYS  55          2HB       LYS  55  -1.479  -8.051 -15.041
  372   1HG   LYS  55          1HG       LYS  55   0.123  -7.040 -16.248
  373   2HG   LYS  55          2HG       LYS  55   0.451  -5.944 -14.905
  374   1HD   LYS  55          1HD       LYS  55   1.733  -8.059 -13.937
  375   2HD   LYS  55          2HD       LYS  55   1.820  -8.501 -15.642
  376   1HE   LYS  55          1HE       LYS  55   2.868  -5.988 -14.329
  377   2HE   LYS  55          2HE       LYS  55   3.788  -7.218 -15.196
  378   1HZ   LYS  55          2HZ       LYS  55   2.312  -6.602 -17.162
  379   2HZ   LYS  55          1HZ       LYS  55   1.926  -5.200 -16.283
  380   3HZ   LYS  55          3HZ       LYS  55   3.535  -5.507 -16.727
  381    H    GLN  56           H        GLN  56  -2.521  -8.075 -11.651
  382    HA   GLN  56           HA       GLN  56  -5.111  -8.143 -13.038
  383   1HB   GLN  56          1HB       GLN  56  -3.806  -9.627 -10.869
  384   2HB   GLN  56          2HB       GLN  56  -5.508  -9.289 -10.547
  385   1HG   GLN  56          1HG       GLN  56  -5.582 -10.047 -13.187
  386   2HG   GLN  56          2HG       GLN  56  -4.296 -11.076 -12.554
  387   1HE2  GLN  56          2HE2      GLN  56  -6.478 -13.053 -10.579
  388   2HE2  GLN  56          1HE2      GLN  56  -4.864 -12.687 -10.955
  389    H    VAL  57           H        VAL  57  -3.791  -6.778 -10.020
  390    HA   VAL  57           HA       VAL  57  -6.347  -5.549  -9.313
  391    HB   VAL  57           HB       VAL  57  -5.063  -4.428  -7.530
  392   1HG1  VAL  57          1HG1      VAL  57  -4.710  -7.374  -8.012
  393   2HG1  VAL  57          3HG1      VAL  57  -4.051  -6.623  -6.558
  394   3HG1  VAL  57          2HG1      VAL  57  -5.785  -6.556  -6.878
  395   1HG2  VAL  57          1HG2      VAL  57  -2.815  -5.270  -9.271
  396   2HG2  VAL  57          3HG2      VAL  57  -2.932  -3.897  -8.171
  397   3HG2  VAL  57          2HG2      VAL  57  -2.551  -5.499  -7.542
  398    H    ILE  58           H        ILE  58  -4.178  -4.853 -11.721
  399    HA   ILE  58           HA       ILE  58  -3.996  -1.999 -11.402
  400    HB   ILE  58           HB       ILE  58  -3.213  -4.013 -13.408
  401   1HG1  ILE  58          1HG1      ILE  58  -2.058  -1.297 -12.760
  402   2HG1  ILE  58          2HG1      ILE  58  -1.811  -2.709 -11.733
  403   1HG2  ILE  58          3HG2      ILE  58  -4.082  -1.244 -14.293
  404   2HG2  ILE  58          2HG2      ILE  58  -2.896  -2.194 -15.187
  405   3HG2  ILE  58          1HG2      ILE  58  -4.542  -2.797 -14.993
  406   1HD1  ILE  58          1HD1      ILE  58  -1.292  -3.289 -14.552
  407   2HD1  ILE  58          3HD1      ILE  58  -0.252  -2.009 -13.931
  408   3HD1  ILE  58          2HD1      ILE  58  -0.274  -3.587 -13.144
  409    H    GLY  59           H        GLY  59  -5.577  -0.595 -11.635
  410   1HA   GLY  59          1HA       GLY  59  -7.414   0.439 -12.828
  411   2HA   GLY  59          2HA       GLY  59  -7.744  -1.114 -13.602
  412    H    LYS  60           H        LYS  60  -7.368  -2.362 -10.796
  413    HA   LYS  60           HA       LYS  60 -10.203  -2.227 -10.080
  414   1HB   LYS  60          1HB       LYS  60  -8.015  -3.573  -8.478
  415   2HB   LYS  60          2HB       LYS  60  -9.727  -3.985  -8.535
  416   1HG   LYS  60          1HG       LYS  60  -7.799  -4.243 -10.862
  417   2HG   LYS  60          2HG       LYS  60  -8.349  -5.577  -9.849
  418   1HD   LYS  60          1HD       LYS  60 -10.590  -4.004 -10.838
  419   2HD   LYS  60          2HD       LYS  60  -9.608  -4.629 -12.161
  420   1HE   LYS  60          1HE       LYS  60  -9.950  -6.862 -11.533
  421   2HE   LYS  60          2HE       LYS  60 -10.389  -6.429  -9.880
  422   1HZ   LYS  60          3HZ       LYS  60 -12.410  -5.390 -10.759
  423   2HZ   LYS  60          2HZ       LYS  60 -11.995  -5.905 -12.323
  424   3HZ   LYS  60          1HZ       LYS  60 -12.345  -7.047 -11.113
  425    H    ASN  61           H        ASN  61 -11.064  -1.081  -8.336
  426    HA   ASN  61           HA       ASN  61  -9.347   0.948  -7.115
  427   1HB   ASN  61          1HB       ASN  61 -12.182   0.514  -7.421
  428   2HB   ASN  61          2HB       ASN  61 -11.816   0.801  -5.720
  429   1HD2  ASN  61          2HD2      ASN  61 -10.726   3.763  -8.372
  430   2HD2  ASN  61          1HD2      ASN  61 -10.613   2.141  -8.860
  431    H    PHE  62           H        PHE  62  -7.852  -0.051  -5.817
  432    HA   PHE  62           HA       PHE  62  -8.224  -2.336  -4.184
  433   1HB   PHE  62          1HB       PHE  62  -6.009  -1.544  -4.596
  434   2HB   PHE  62          2HB       PHE  62  -6.369   0.041  -3.913
  435    HD1  PHE  62           HD1      PHE  62  -6.055  -3.570  -3.080
  436    HD2  PHE  62           HD2      PHE  62  -6.151   0.449  -1.579
  437    HE1  PHE  62           HE1      PHE  62  -5.344  -4.384  -0.840
  438    HE2  PHE  62           HE2      PHE  62  -5.426  -0.361   0.652
  439    HZ   PHE  62           HZ       PHE  62  -5.046  -2.786   1.020
  440    H    PHE  63           H        PHE  63  -9.415   0.872  -3.721
  441    HA   PHE  63           HA       PHE  63  -9.779   0.420  -0.820
  442   1HB   PHE  63          1HB       PHE  63  -9.812   2.761  -2.625
  443   2HB   PHE  63          2HB       PHE  63 -10.998   2.811  -1.320
  444    HD1  PHE  63           HD2      PHE  63 -10.269   2.664   1.050
  445    HD2  PHE  63           HD1      PHE  63  -7.450   2.897  -2.180
  446    HE1  PHE  63           HE2      PHE  63  -8.476   3.264   2.656
  447    HE2  PHE  63           HE1      PHE  63  -5.658   3.499  -0.572
  448    HZ   PHE  63           HZ       PHE  63  -6.172   3.684   1.843
  449    H    LYS  64           H        LYS  64 -11.666   0.559  -3.797
  450    HA   LYS  64           HA       LYS  64 -14.007  -0.405  -2.226
  451   1HB   LYS  64          1HB       LYS  64 -13.793   2.176  -3.398
  452   2HB   LYS  64          2HB       LYS  64 -14.926   1.253  -4.386
  453   1HG   LYS  64          1HG       LYS  64 -16.322   0.771  -2.504
  454   2HG   LYS  64          2HG       LYS  64 -15.102   1.347  -1.367
  455   1HD   LYS  64          1HD       LYS  64 -15.383   3.623  -2.098
  456   2HD   LYS  64          2HD       LYS  64 -16.397   3.122  -3.451
  457   1HE   LYS  64          1HE       LYS  64 -18.162   2.419  -1.969
  458   2HE   LYS  64          2HE       LYS  64 -17.130   2.626  -0.554
  459   1HZ   LYS  64          1HZ       LYS  64 -17.996   4.798  -2.385
  460   2HZ   LYS  64          3HZ       LYS  64 -18.646   4.492  -0.849
  461   3HZ   LYS  64          2HZ       LYS  64 -17.028   4.988  -1.000
  462    H    ASP  65           H        ASP  65 -12.247  -1.991  -3.790
  463    HA   ASP  65           HA       ASP  65 -14.190  -3.091  -5.691
  464   1HB   ASP  65          1HB       ASP  65 -12.304  -1.283  -6.672
  465   2HB   ASP  65          2HB       ASP  65 -11.646  -2.865  -7.075
  466    H    VAL  66           H        VAL  66 -10.897  -3.272  -4.283
  467    HA   VAL  66           HA       VAL  66 -10.954  -6.205  -4.786
  468    HB   VAL  66           HB       VAL  66  -8.653  -4.803  -3.509
  469   1HG1  VAL  66          3HG1      VAL  66  -8.913  -7.282  -3.962
  470   2HG1  VAL  66          2HG1      VAL  66  -8.722  -6.886  -5.668
  471   3HG1  VAL  66          1HG1      VAL  66  -7.433  -6.532  -4.536
  472   1HG2  VAL  66          3HG2      VAL  66  -9.362  -3.436  -5.553
  473   2HG2  VAL  66          2HG2      VAL  66  -7.697  -4.015  -5.496
  474   3HG2  VAL  66          1HG2      VAL  66  -8.884  -4.845  -6.502
  475    H    ALA  67           H        ALA  67  -9.934  -3.905  -2.368
  476    HA   ALA  67           HA       ALA  67 -10.473  -5.859  -0.209
  477   1HB   ALA  67          1HB       ALA  67  -8.443  -3.944  -0.898
  478   2HB   ALA  67          3HB       ALA  67  -9.095  -3.565   0.695
  479   3HB   ALA  67          2HB       ALA  67  -8.423  -5.162   0.373
  480    HA   PRO  68           HA       PRO  68 -13.911  -2.937   0.488
  481   1HB   PRO  68          1HB       PRO  68 -15.477  -4.749   1.844
  482   2HB   PRO  68          2HB       PRO  68 -15.453  -4.597   0.079
  483   1HG   PRO  68          1HG       PRO  68 -14.224  -6.702   1.800
  484   2HG   PRO  68          2HG       PRO  68 -14.793  -6.812   0.126
  485   1HD   PRO  68          1HD       PRO  68 -12.100  -6.574   0.927
  486   2HD   PRO  68          2HD       PRO  68 -12.721  -6.303  -0.716
  487    H    CYS  69           H        CYS  69 -11.661  -4.446   2.520
  488    HA   CYS  69           HA       CYS  69 -12.883  -3.478   5.020
  489   1HB   CYS  69          1HB       CYS  69 -11.168  -4.636   6.163
  490   2HB   CYS  69          2HB       CYS  69 -11.509  -5.659   4.774
  491    H    THR  70           H        THR  70 -10.554  -2.446   2.647
  492    HA   THR  70           HA       THR  70  -9.274  -0.477   4.367
  493    HB   THR  70           HB       THR  70  -8.522   0.418   2.028
  494    HG1  THR  70           HG1      THR  70 -10.034  -0.644   0.785
  495   1HG2  THR  70          1HG2      THR  70  -7.388  -1.231   3.773
  496   2HG2  THR  70          3HG2      THR  70  -7.667  -2.410   2.492
  497   3HG2  THR  70          2HG2      THR  70  -6.685  -0.979   2.175
  498    H    ASP  71           H        ASP  71 -12.361  -0.617   3.124
  499    HA   ASP  71           HA       ASP  71 -12.542   2.287   2.577
  500   1HB   ASP  71          1HB       ASP  71 -13.861   0.132   1.479
  501   2HB   ASP  71          2HB       ASP  71 -15.036   0.715   2.659
  502    H    SER  72           H        SER  72 -11.742   1.882   5.097
  503    HA   SER  72           HA       SER  72 -14.200   2.197   6.776
  504   1HB   SER  72          1HB       SER  72 -11.878   0.574   7.120
  505   2HB   SER  72          2HB       SER  72 -11.840   1.821   8.362
  506    HG   SER  72           HG       SER  72 -13.247   0.578   9.311
  507    HA   PRO  73           HA       PRO  73 -12.860   6.235   7.905
  508   1HB   PRO  73          1HB       PRO  73 -13.035   6.315  10.646
  509   2HB   PRO  73          2HB       PRO  73 -14.442   6.312   9.569
  510   1HG   PRO  73          1HG       PRO  73 -13.373   4.106  11.263
  511   2HG   PRO  73          2HG       PRO  73 -15.024   4.375  10.681
  512   1HD   PRO  73          1HD       PRO  73 -13.154   2.540   9.606
  513   2HD   PRO  73          2HD       PRO  73 -14.686   3.034   8.854
  514    H    GLU  74           H        GLU  74 -10.974   3.627   9.171
  515    HA   GLU  74           HA       GLU  74  -8.860   5.483  10.085
  516   1HB   GLU  74          1HB       GLU  74  -8.775   2.478  10.254
  517   2HB   GLU  74          2HB       GLU  74  -7.866   3.652  11.209
  518   1HG   GLU  74          1HG       GLU  74 -10.101   4.471  12.114
  519   2HG   GLU  74          2HG       GLU  74 -10.830   3.054  11.357
  520    H    PHE  75           H        PHE  75  -9.693   3.326   7.519
  521    HA   PHE  75           HA       PHE  75  -6.907   3.386   6.464
  522   1HB   PHE  75          1HB       PHE  75  -8.749   1.345   6.562
  523   2HB   PHE  75          2HB       PHE  75  -8.993   1.962   4.931
  524    HD1  PHE  75           HD1      PHE  75  -7.001   2.207   3.401
  525    HD2  PHE  75           HD2      PHE  75  -6.820   0.060   7.108
  526    HE1  PHE  75           HE1      PHE  75  -4.954   1.064   2.626
  527    HE2  PHE  75           HE2      PHE  75  -4.757  -1.087   6.342
  528    HZ   PHE  75           HZ       PHE  75  -3.822  -0.586   4.099
  529    H    TYR  76           H        TYR  76 -10.115   3.504   4.848
  530    HA   TYR  76           HA       TYR  76  -9.118   5.349   2.853
  531   1HB   TYR  76          1HB       TYR  76 -11.088   3.709   2.598
  532   2HB   TYR  76          2HB       TYR  76 -12.039   4.904   3.481
  533    HD1  TYR  76           HD1      TYR  76  -9.317   5.260   0.925
  534    HD2  TYR  76           HD2      TYR  76 -13.411   6.041   1.958
  535    HE1  TYR  76           HE1      TYR  76  -9.583   6.584  -1.155
  536    HE2  TYR  76           HE2      TYR  76 -13.680   7.369  -0.120
  537    HH   TYR  76           HH       TYR  76 -11.549   7.247  -2.669
  538    H    GLY  77           H        GLY  77 -10.400   5.704   6.040
  539   1HA   GLY  77          1HA       GLY  77 -11.510   8.331   5.838
  540   2HA   GLY  77          2HA       GLY  77 -10.869   7.617   7.305
  541    H    LYS  78           H        LYS  78  -8.302   7.354   7.078
  542    HA   LYS  78           HA       LYS  78  -7.274  10.021   7.091
  543   1HB   LYS  78          1HB       LYS  78  -5.533   7.589   6.740
  544   2HB   LYS  78          2HB       LYS  78  -5.186   9.072   7.628
  545   1HG   LYS  78          1HG       LYS  78  -6.931   6.756   8.421
  546   2HG   LYS  78          2HG       LYS  78  -5.695   7.581   9.361
  547   1HD   LYS  78          1HD       LYS  78  -7.469   9.621   8.951
  548   2HD   LYS  78          2HD       LYS  78  -8.564   8.239   9.013
  549   1HE   LYS  78          1HE       LYS  78  -8.435   8.561  11.271
  550   2HE   LYS  78          2HE       LYS  78  -6.921   7.671  11.114
  551   1HZ   LYS  78          3HZ       LYS  78  -6.176  10.180  10.491
  552   2HZ   LYS  78          2HZ       LYS  78  -7.364  10.467  11.671
  553   3HZ   LYS  78          1HZ       LYS  78  -6.025   9.485  12.031
  554    H    PHE  79           H        PHE  79  -7.872   7.879   4.529
  555    HA   PHE  79           HA       PHE  79  -5.900   8.971   2.717
  556   1HB   PHE  79          1HB       PHE  79  -6.646   6.687   2.468
  557   2HB   PHE  79          2HB       PHE  79  -8.316   7.222   2.346
  558    HD1  PHE  79           HD1      PHE  79  -8.964   8.733   0.375
  559    HD2  PHE  79           HD2      PHE  79  -5.276   6.519   0.508
  560    HE1  PHE  79           HE1      PHE  79  -8.761   8.904  -2.093
  561    HE2  PHE  79           HE2      PHE  79  -5.102   6.676  -1.942
  562    HZ   PHE  79           HZ       PHE  79  -6.831   7.863  -3.246
  563    H    LYS  80           H        LYS  80  -9.361   9.420   3.335
  564    HA   LYS  80           HA       LYS  80  -9.699  11.183   1.095
  565   1HB   LYS  80          1HB       LYS  80 -11.371  10.292   3.400
  566   2HB   LYS  80          2HB       LYS  80 -11.835  11.780   2.573
  567   1HG   LYS  80          1HG       LYS  80 -11.170   9.778   0.613
  568   2HG   LYS  80          2HG       LYS  80 -12.347   9.112   1.746
  569   1HD   LYS  80          1HD       LYS  80 -13.606  10.191   0.010
  570   2HD   LYS  80          2HD       LYS  80 -13.695  11.244   1.423
  571   1HE   LYS  80          1HE       LYS  80 -12.184  12.797   0.521
  572   2HE   LYS  80          2HE       LYS  80 -11.516  11.629  -0.618
  573   1HZ   LYS  80          2HZ       LYS  80 -14.358  12.311  -0.825
  574   2HZ   LYS  80          1HZ       LYS  80 -13.218  13.438  -1.389
  575   3HZ   LYS  80          3HZ       LYS  80 -13.257  11.874  -2.044
  576    H    GLU  81           H        GLU  81  -8.294  11.498   4.151
  577    HA   GLU  81           HA       GLU  81  -8.853  14.435   4.225
  578   1HB   GLU  81          1HB       GLU  81  -7.839  14.431   6.447
  579   2HB   GLU  81          2HB       GLU  81  -9.061  13.164   6.367
  580   1HG   GLU  81          1HG       GLU  81  -7.300  11.501   5.917
  581   2HG   GLU  81          2HG       GLU  81  -6.077  12.763   6.026
  582    H    GLY  82           H        GLY  82  -6.236  12.087   4.024
  583   1HA   GLY  82          1HA       GLY  82  -4.072  13.954   3.804
  584   2HA   GLY  82          2HA       GLY  82  -4.056  12.305   3.161
  585    H    VAL  83           H        VAL  83  -6.295  12.511   1.478
  586    HA   VAL  83           HA       VAL  83  -5.133  13.580  -0.910
  587    HB   VAL  83           HB       VAL  83  -8.019  12.892  -0.275
  588   1HG1  VAL  83          3HG1      VAL  83  -6.748  14.018  -2.636
  589   2HG1  VAL  83          2HG1      VAL  83  -7.498  12.462  -2.987
  590   3HG1  VAL  83          1HG1      VAL  83  -8.462  13.770  -2.301
  591   1HG2  VAL  83          2HG2      VAL  83  -5.875  11.212  -0.262
  592   2HG2  VAL  83          1HG2      VAL  83  -7.507  10.716  -0.710
  593   3HG2  VAL  83          3HG2      VAL  83  -6.340  11.136  -1.961
  594    H    ALA  84           H        ALA  84  -7.616  14.870   1.296
  595    HA   ALA  84           HA       ALA  84  -7.764  17.353  -0.314
  596   1HB   ALA  84          3HB       ALA  84  -9.396  16.067   1.813
  597   2HB   ALA  84          2HB       ALA  84  -9.436  17.827   1.721
  598   3HB   ALA  84          1HB       ALA  84  -9.911  16.859   0.325
  599    H    SER  85           H        SER  85  -5.679  16.304   1.977
  600    HA   SER  85           HA       SER  85  -5.604  18.915   3.415
  601   1HB   SER  85          1HB       SER  85  -4.307  17.805   5.116
  602   2HB   SER  85          2HB       SER  85  -5.685  16.772   4.750
  603    HG   SER  85           HG       SER  85  -3.470  15.808   4.821
  604    H    GLY  86           H        GLY  86  -3.803  16.859   1.226
  605   1HA   GLY  86          1HA       GLY  86  -2.043  17.619  -0.206
  606   2HA   GLY  86          2HA       GLY  86  -1.901  19.074   0.788
  607    H    ASN  87           H        ASN  87  -2.030  15.986   2.368
  608    HA   ASN  87           HA       ASN  87   0.801  15.454   2.425
  609   1HB   ASN  87          1HB       ASN  87   1.059  16.050   4.899
  610   2HB   ASN  87          2HB       ASN  87   1.021  17.414   3.780
  611   1HD2  ASN  87          2HD2      ASN  87  -1.920  17.003   6.546
  612   2HD2  ASN  87          1HD2      ASN  87  -0.644  15.888   6.444
  613    H    LEU  88           H        LEU  88  -0.113  13.350   2.047
  614    HA   LEU  88           HA       LEU  88  -1.869  12.181   4.087
  615   1HB   LEU  88          1HB       LEU  88  -1.787  11.697   1.503
  616   2HB   LEU  88          2HB       LEU  88  -0.501  10.577   1.951
  617    HG   LEU  88           HG       LEU  88  -2.942  10.479   3.625
  618   1HD1  LEU  88          1HD1      LEU  88  -3.236  10.520   0.839
  619   2HD1  LEU  88          3HD1      LEU  88  -3.301   8.815   1.281
  620   3HD1  LEU  88          2HD1      LEU  88  -4.420   9.963   2.014
  621   1HD2  LEU  88          1HD2      LEU  88  -0.949   8.969   3.869
  622   2HD2  LEU  88          3HD2      LEU  88  -2.451   8.092   3.572
  623   3HD2  LEU  88          2HD2      LEU  88  -1.292   8.325   2.263
  624    H    ASN  89           H        ASN  89  -1.096  11.235   5.904
  625    HA   ASN  89           HA       ASN  89   1.327   9.606   5.839
  626   1HB   ASN  89          1HB       ASN  89   2.363  10.974   7.756
  627   2HB   ASN  89          2HB       ASN  89   2.487  11.663   6.138
  628   1HD2  ASN  89          2HD2      ASN  89   0.611  13.759   8.983
  629   2HD2  ASN  89          1HD2      ASN  89   1.576  12.401   9.306
  630    H    THR  90           H        THR  90  -0.383   8.090   6.508
  631    HA   THR  90           HA       THR  90  -1.083   8.437   9.402
  632    HB   THR  90           HB       THR  90  -3.079   8.595   7.964
  633    HG1  THR  90           HG1      THR  90  -4.100   6.599   8.869
  634   1HG2  THR  90          1HG2      THR  90  -1.845   6.175   6.770
  635   2HG2  THR  90          3HG2      THR  90  -3.599   6.141   6.948
  636   3HG2  THR  90          2HG2      THR  90  -2.831   7.426   6.015
  637    H    MET  91           H        MET  91  -1.124   6.481  10.669
  638    HA   MET  91           HA       MET  91  -0.009   4.033   9.437
  639   1HB   MET  91          1HB       MET  91   1.960   5.393  10.175
  640   2HB   MET  91          2HB       MET  91   1.314   5.376  11.816
  641   1HG   MET  91          2HG       MET  91   1.327   2.690  10.792
  642   2HG   MET  91          1HG       MET  91   2.926   3.395  10.562
  643   1HE   MET  91          3HE       MET  91   3.288   1.354  11.754
  644   2HE   MET  91          2HE       MET  91   3.899   1.492  13.401
  645   3HE   MET  91          1HE       MET  91   2.278   0.863  13.121
  646    H    PHE  92           H        PHE  92  -0.747   2.198  10.501
  647    HA   PHE  92           HA       PHE  92  -1.731   2.311  13.242
  648   1HB   PHE  92          1HB       PHE  92  -4.080   1.552  12.515
  649   2HB   PHE  92          2HB       PHE  92  -3.706   3.266  12.358
  650    HD1  PHE  92           HD2      PHE  92  -3.165   4.231  10.127
  651    HD2  PHE  92           HD1      PHE  92  -4.446   0.160  10.570
  652    HE1  PHE  92           HE2      PHE  92  -3.683   4.126   7.705
  653    HE2  PHE  92           HE1      PHE  92  -4.964   0.055   8.151
  654    HZ   PHE  92           HZ       PHE  92  -4.584   2.034   6.716
  655    H    GLU  93           H        GLU  93  -3.178   0.114  13.484
  656    HA   GLU  93           HA       GLU  93  -1.512  -2.023  12.213
  657   1HB   GLU  93          1HB       GLU  93  -2.368  -3.389  14.255
  658   2HB   GLU  93          2HB       GLU  93  -1.116  -2.183  14.546
  659   1HG   GLU  93          1HG       GLU  93  -2.554  -0.752  15.650
  660   2HG   GLU  93          2HG       GLU  93  -3.962  -1.293  14.736
  661    H    TYR  94           H        TYR  94  -2.691  -2.830  10.546
  662    HA   TYR  94           HA       TYR  94  -5.639  -3.132  10.954
  663   1HB   TYR  94          1HB       TYR  94  -4.257  -1.913   8.905
  664   2HB   TYR  94          2HB       TYR  94  -4.581  -3.514   8.239
  665    HD1  TYR  94           HD1      TYR  94  -6.322  -0.798  10.166
  666    HD2  TYR  94           HD2      TYR  94  -6.629  -3.887   7.196
  667    HE1  TYR  94           HE1      TYR  94  -8.670  -0.131   9.719
  668    HE2  TYR  94           HE2      TYR  94  -8.975  -3.226   6.747
  669    HH   TYR  94           HH       TYR  94 -10.842  -1.704   8.601
  670    H    THR  95           H        THR  95  -6.422  -5.023   9.365
  671    HA   THR  95           HA       THR  95  -4.603  -7.344   9.452
  672    HB   THR  95           HB       THR  95  -7.333  -7.483  10.755
  673    HG1  THR  95           HG1      THR  95  -6.404  -6.731  12.462
  674   1HG2  THR  95          3HG2      THR  95  -5.747  -9.458   9.700
  675   2HG2  THR  95          2HG2      THR  95  -5.225  -9.438  11.384
  676   3HG2  THR  95          1HG2      THR  95  -6.924  -9.702  10.990
  677    H    PHE  96           H        PHE  96  -4.744  -7.888   7.320
  678    HA   PHE  96           HA       PHE  96  -7.246  -7.530   5.834
  679   1HB   PHE  96          1HB       PHE  96  -4.690  -8.918   4.970
  680   2HB   PHE  96          2HB       PHE  96  -5.996  -8.386   3.917
  681    HD1  PHE  96           HD2      PHE  96  -6.353  -5.753   5.782
  682    HD2  PHE  96           HD1      PHE  96  -3.111  -7.553   3.609
  683    HE1  PHE  96           HE2      PHE  96  -5.269  -3.535   5.558
  684    HE2  PHE  96           HE1      PHE  96  -2.033  -5.332   3.382
  685    HZ   PHE  96           HZ       PHE  96  -3.112  -3.322   4.356
  686    H    ASP  97           H        ASP  97  -8.730  -8.968   6.826
  687    HA   ASP  97           HA       ASP  97  -8.001 -11.861   6.719
  688   1HB   ASP  97          1HB       ASP  97  -8.898 -10.701   8.874
  689   2HB   ASP  97          2HB       ASP  97 -10.463 -10.754   8.062
  690    H    TYR  98           H        TYR  98  -8.918 -10.068   4.457
  691    HA   TYR  98           HA       TYR  98 -11.594 -11.057   3.803
  692   1HB   TYR  98          1HB       TYR  98 -11.518  -9.544   2.057
  693   2HB   TYR  98          2HB       TYR  98 -10.212  -8.853   3.012
  694    HD1  TYR  98           HD1      TYR  98  -7.915 -10.491   2.597
  695    HD2  TYR  98           HD2      TYR  98 -11.015  -9.507  -0.203
  696    HE1  TYR  98           HE1      TYR  98  -6.351 -10.952   0.725
  697    HE2  TYR  98           HE2      TYR  98  -9.460  -9.951  -2.082
  698    HH   TYR  98           HH       TYR  98  -6.473 -11.543  -1.655
  699    H    GLN  99           H        GLN  99 -11.967 -12.554   1.993
  700    HA   GLN  99           HA       GLN  99 -11.381 -14.984   1.678
  701   1HB   GLN  99          1HB       GLN  99 -10.611 -14.820  -0.761
  702   2HB   GLN  99          2HB       GLN  99 -12.123 -14.012  -0.348
  703   1HG   GLN  99          1HG       GLN  99 -11.282 -12.004  -0.926
  704   2HG   GLN  99          2HG       GLN  99  -9.875 -12.247   0.109
  705   1HE2  GLN  99          2HE2      GLN  99  -9.544 -12.816  -3.894
  706   2HE2  GLN  99          1HE2      GLN  99 -11.014 -12.344  -3.189
  707    H    MET 100           H        MET 100  -9.522 -14.930   3.386
  708    HA   MET 100           HA       MET 100  -7.234 -16.242   2.330
  709   1HB   MET 100          1HB       MET 100  -7.123 -13.461   1.876
  710   2HB   MET 100          2HB       MET 100  -6.108 -13.732   3.296
  711   1HG   MET 100          2HG       MET 100  -5.764 -15.698   1.105
  712   2HG   MET 100          1HG       MET 100  -5.228 -14.057   0.743
  713   1HE   MET 100          3HE       MET 100  -3.716 -12.720   1.934
  714   2HE   MET 100          2HE       MET 100  -4.228 -12.914   3.609
  715   3HE   MET 100          1HE       MET 100  -2.545 -13.200   3.171
  716    H    THR 101           H        THR 101  -5.543 -16.513   4.068
  717    HA   THR 101           HA       THR 101  -6.714 -17.075   6.600
  718    HB   THR 101           HB       THR 101  -3.954 -16.585   7.048
  719    HG1  THR 101           HG1      THR 101  -3.187 -16.675   5.105
  720   1HG2  THR 101          3HG2      THR 101  -5.707 -18.540   7.576
  721   2HG2  THR 101          2HG2      THR 101  -4.892 -19.278   6.197
  722   3HG2  THR 101          1HG2      THR 101  -3.963 -18.808   7.620
  723    HA   PRO 102           HA       PRO 102  -6.517 -13.236   8.753
  724   1HB   PRO 102          1HB       PRO 102  -5.376 -13.860  11.179
  725   2HB   PRO 102          2HB       PRO 102  -7.033 -14.304  10.731
  726   1HG   PRO 102          1HG       PRO 102  -4.606 -16.030  10.897
  727   2HG   PRO 102          2HG       PRO 102  -6.312 -16.470  11.085
  728   1HD   PRO 102          1HD       PRO 102  -4.734 -16.912   8.783
  729   2HD   PRO 102          2HD       PRO 102  -6.505 -17.026   8.867
  730    H    THR 103           H        THR 103  -5.097 -11.785   7.808
  731    HA   THR 103           HA       THR 103  -2.189 -12.122   8.394
  732    HB   THR 103           HB       THR 103  -3.686 -10.796   6.127
  733    HG1  THR 103           HG1      THR 103  -1.669 -12.772   6.345
  734   1HG2  THR 103          1HG2      THR 103  -1.091 -10.023   7.262
  735   2HG2  THR 103          3HG2      THR 103  -0.987 -10.463   5.558
  736   3HG2  THR 103          2HG2      THR 103  -2.089  -9.186   6.073
  737    H    LYS 104           H        LYS 104  -1.344 -10.753   9.849
  738    HA   LYS 104           HA       LYS 104  -2.767  -8.185  10.396
  739   1HB   LYS 104          1HB       LYS 104  -1.899 -10.043  12.203
  740   2HB   LYS 104          2HB       LYS 104  -0.470  -9.013  12.100
  741   1HG   LYS 104          1HG       LYS 104  -1.681  -7.080  12.766
  742   2HG   LYS 104          2HG       LYS 104  -3.236  -7.867  12.494
  743   1HD   LYS 104          1HD       LYS 104  -3.153  -9.031  14.476
  744   2HD   LYS 104          2HD       LYS 104  -1.393  -9.150  14.454
  745   1HE   LYS 104          1HE       LYS 104  -1.539  -7.551  16.082
  746   2HE   LYS 104          2HE       LYS 104  -1.677  -6.465  14.697
  747   1HZ   LYS 104          1HZ       LYS 104  -4.143  -6.870  14.845
  748   2HZ   LYS 104          3HZ       LYS 104  -3.859  -7.589  16.354
  749   3HZ   LYS 104          2HZ       LYS 104  -3.466  -5.955  16.106
  750    H    VAL 105           H        VAL 105  -1.520  -6.216  10.131
  751    HA   VAL 105           HA       VAL 105   1.294  -6.550   9.238
  752    HB   VAL 105           HB       VAL 105   0.893  -5.351   7.122
  753   1HG1  VAL 105          2HG1      VAL 105   0.623  -7.890   7.325
  754   2HG1  VAL 105          1HG1      VAL 105  -1.119  -7.606   7.314
  755   3HG1  VAL 105          3HG1      VAL 105  -0.140  -7.143   5.922
  756   1HG2  VAL 105          1HG2      VAL 105  -1.742  -4.918   8.354
  757   2HG2  VAL 105          3HG2      VAL 105  -0.916  -3.988   7.103
  758   3HG2  VAL 105          2HG2      VAL 105  -1.831  -5.431   6.669
  759    H    LYS 106           H        LYS 106   2.509  -4.678   9.441
  760    HA   LYS 106           HA       LYS 106   1.392  -2.441  10.993
  761   1HB   LYS 106          1HB       LYS 106   4.090  -3.125   9.806
  762   2HB   LYS 106          2HB       LYS 106   3.743  -1.461  10.234
  763   1HG   LYS 106          1HG       LYS 106   4.599  -2.093  12.226
  764   2HG   LYS 106          2HG       LYS 106   2.966  -2.706  12.497
  765   1HD   LYS 106          1HD       LYS 106   3.586  -4.927  11.958
  766   2HD   LYS 106          2HD       LYS 106   5.064  -4.405  11.151
  767   1HE   LYS 106          1HE       LYS 106   5.989  -3.676  13.325
  768   2HE   LYS 106          2HE       LYS 106   4.518  -4.220  14.132
  769   1HZ   LYS 106          1HZ       LYS 106   5.329  -6.358  12.615
  770   2HZ   LYS 106          3HZ       LYS 106   6.769  -5.738  13.262
  771   3HZ   LYS 106          2HZ       LYS 106   5.501  -6.189  14.298
  772    H    VAL 107           H        VAL 107   0.167  -0.953   9.740
  773    HA   VAL 107           HA       VAL 107   0.810  -0.928   6.826
  774    HB   VAL 107           HB       VAL 107  -1.381   0.249   6.609
  775   1HG1  VAL 107          1HG1      VAL 107  -1.453  -2.274   8.247
  776   2HG1  VAL 107          3HG1      VAL 107  -2.827  -1.601   7.373
  777   3HG1  VAL 107          2HG1      VAL 107  -1.408  -2.160   6.487
  778   1HG2  VAL 107          1HG2      VAL 107  -0.913   0.671   9.386
  779   2HG2  VAL 107          3HG2      VAL 107  -2.199   1.329   8.389
  780   3HG2  VAL 107          2HG2      VAL 107  -2.420  -0.218   9.208
  781    H    HIS 108           H        HIS 108   1.142   1.079   5.739
  782    HA   HIS 108           HA       HIS 108   1.230   3.556   7.309
  783   1HB   HIS 108          1HB       HIS 108   3.525   2.211   7.509
  784   2HB   HIS 108          2HB       HIS 108   3.809   2.944   5.927
  785    HD1  HIS 108           HD1      HIS 108   5.180   3.776   8.767
  786    HD2  HIS 108           HD2      HIS 108   2.161   5.813   6.736
  787    HE1  HIS 108           HE1      HIS 108   5.276   6.178   9.566
  788    H    MET 109           H        MET 109  -0.057   4.616   5.887
  789    HA   MET 109           HA       MET 109   0.606   4.412   2.983
  790   1HB   MET 109          1HB       MET 109  -1.856   5.776   4.041
  791   2HB   MET 109          2HB       MET 109  -1.629   4.935   2.515
  792   1HG   MET 109          2HG       MET 109  -2.270   2.937   3.407
  793   2HG   MET 109          1HG       MET 109  -1.304   3.160   4.857
  794   1HE   MET 109          1HE       MET 109  -4.429   3.081   3.139
  795   2HE   MET 109          3HE       MET 109  -5.680   3.833   4.134
  796   3HE   MET 109          2HE       MET 109  -4.622   4.830   3.139
  797    H    LYS 110           H        LYS 110   1.237   6.318   1.806
  798    HA   LYS 110           HA       LYS 110   1.046   8.872   3.367
  799   1HB   LYS 110          1HB       LYS 110   3.422   7.519   3.183
  800   2HB   LYS 110          2HB       LYS 110   3.519   8.598   1.794
  801   1HG   LYS 110          1HG       LYS 110   3.167  10.533   3.188
  802   2HG   LYS 110          2HG       LYS 110   2.802   9.524   4.585
  803   1HD   LYS 110          1HD       LYS 110   5.428   9.097   3.238
  804   2HD   LYS 110          2HD       LYS 110   5.236  10.567   4.194
  805   1HE   LYS 110          1HE       LYS 110   4.143   8.734   5.883
  806   2HE   LYS 110          2HE       LYS 110   5.365   7.746   5.080
  807   1HZ   LYS 110          3HZ       LYS 110   6.978   9.550   5.576
  808   2HZ   LYS 110          2HZ       LYS 110   5.785  10.306   6.520
  809   3HZ   LYS 110          1HZ       LYS 110   6.370   8.771   6.955
  810    H    LYS 111           H        LYS 111   2.498  10.370   1.401
  811    HA   LYS 111           HA       LYS 111   0.498  10.258  -0.805
  812   1HB   LYS 111          1HB       LYS 111   1.031  12.613  -1.196
  813   2HB   LYS 111          2HB       LYS 111   0.622  12.376   0.503
  814   1HG   LYS 111          1HG       LYS 111   3.288  11.945   0.628
  815   2HG   LYS 111          2HG       LYS 111   3.240  13.059  -0.737
  816   1HD   LYS 111          1HD       LYS 111   1.717  14.523   0.749
  817   2HD   LYS 111          2HD       LYS 111   2.280  13.519   2.086
  818   1HE   LYS 111          1HE       LYS 111   4.478  14.268   1.904
  819   2HE   LYS 111          2HE       LYS 111   4.293  14.710   0.207
  820   1HZ   LYS 111          3HZ       LYS 111   2.814  16.516   0.907
  821   2HZ   LYS 111          2HZ       LYS 111   3.090  16.111   2.533
  822   3HZ   LYS 111          1HZ       LYS 111   4.369  16.677   1.568
  823    H    ALA 112           H        ALA 112   1.199   9.984  -2.905
  824    HA   ALA 112           HA       ALA 112   4.076   9.335  -3.239
  825   1HB   ALA 112          2HB       ALA 112   1.749   8.098  -4.103
  826   2HB   ALA 112          1HB       ALA 112   2.376   8.886  -5.551
  827   3HB   ALA 112          3HB       ALA 112   3.388   7.750  -4.660
  828    H    LEU 113           H        LEU 113   4.729   9.840  -5.717
  829    HA   LEU 113           HA       LEU 113   5.344  11.551  -7.205
  830   1HB   LEU 113          1HB       LEU 113   2.560  11.557  -7.067
  831   2HB   LEU 113          2HB       LEU 113   2.995  13.242  -6.777
  832    HG   LEU 113           HG       LEU 113   4.566  12.990  -8.812
  833   1HD1  LEU 113          3HD1      LEU 113   3.303  10.366  -8.689
  834   2HD1  LEU 113          2HD1      LEU 113   3.052  11.136 -10.255
  835   3HD1  LEU 113          1HD1      LEU 113   4.689  10.895  -9.644
  836   1HD2  LEU 113          3HD2      LEU 113   2.363  14.231  -8.743
  837   2HD2  LEU 113          2HD2      LEU 113   2.780  13.587 -10.330
  838   3HD2  LEU 113          1HD2      LEU 113   1.587  12.760  -9.329
  839    H    SER 114           H        SER 114   5.791  11.749  -4.228
  840    HA   SER 114           HA       SER 114   6.730  13.308  -2.752
  841   1HB   SER 114          1HB       SER 114   6.851  15.105  -5.189
  842   2HB   SER 114          2HB       SER 114   7.808  15.256  -3.718
  843    HG   SER 114           HG       SER 114   8.564  14.020  -5.790
  844    H    GLY 115           H        GLY 115   3.882  13.156  -2.963
  845   1HA   GLY 115          1HA       GLY 115   2.368  14.547  -1.615
  846   2HA   GLY 115          2HA       GLY 115   3.212  15.971  -2.221
  847    H    ASP 116           H        ASP 116   1.192  13.249  -3.337
  848    HA   ASP 116           HA       ASP 116  -0.576  14.943  -4.817
  849   1HB   ASP 116          1HB       ASP 116   1.790  14.754  -6.135
  850   2HB   ASP 116          2HB       ASP 116   0.961  13.342  -6.788
  851    H    SER 117           H        SER 117   0.918  11.747  -5.480
  852    HA   SER 117           HA       SER 117  -1.717  10.540  -5.830
  853   1HB   SER 117          1HB       SER 117   0.963   9.859  -6.494
  854   2HB   SER 117          2HB       SER 117   0.341   8.568  -5.469
  855    HG   SER 117           HG       SER 117  -0.327   9.273  -8.024
  856    H    TYR 118           H        TYR 118  -1.390   8.061  -4.555
  857    HA   TYR 118           HA       TYR 118  -1.022   8.639  -1.661
  858   1HB   TYR 118          1HB       TYR 118  -3.567   7.353  -2.652
  859   2HB   TYR 118          2HB       TYR 118  -3.262   8.032  -1.051
  860    HD1  TYR 118           HD2      TYR 118  -2.731  10.599  -0.983
  861    HD2  TYR 118           HD1      TYR 118  -4.591   8.574  -4.284
  862    HE1  TYR 118           HE2      TYR 118  -3.638  12.748  -1.803
  863    HE2  TYR 118           HE1      TYR 118  -5.490  10.704  -5.097
  864    HH   TYR 118           HH       TYR 118  -5.891  12.890  -4.522
  865    H    TRP 119           H        TRP 119   0.143   6.882  -0.861
  866    HA   TRP 119           HA       TRP 119  -0.433   4.283  -2.129
  867   1HB   TRP 119          1HB       TRP 119   1.969   3.693  -1.895
  868   2HB   TRP 119          2HB       TRP 119   1.598   4.904  -3.107
  869    HD1  TRP 119           HD1      TRP 119   2.887   7.057  -2.944
  870    HE1  TRP 119           HE1      TRP 119   4.559   8.083  -1.295
  871    HE3  TRP 119           HE3      TRP 119   2.292   3.811   0.741
  872    HZ2  TRP 119           HZ2      TRP 119   5.541   7.502   1.376
  873    HZ3  TRP 119           HZ3      TRP 119   3.588   3.983   2.880
  874    HH2  TRP 119           HH2      TRP 119   5.211   5.834   3.187
  875    H    VAL 120           H        VAL 120  -0.354   2.452  -0.985
  876    HA   VAL 120           HA       VAL 120  -0.282   2.799   1.982
  877    HB   VAL 120           HB       VAL 120  -1.928   0.847   0.328
  878   1HG1  VAL 120          2HG1      VAL 120  -1.368   1.161   3.235
  879   2HG1  VAL 120          1HG1      VAL 120  -3.036   0.815   2.780
  880   3HG1  VAL 120          3HG1      VAL 120  -1.746  -0.292   2.310
  881   1HG2  VAL 120          3HG2      VAL 120  -2.497   3.515   1.572
  882   2HG2  VAL 120          2HG2      VAL 120  -3.042   2.864   0.029
  883   3HG2  VAL 120          1HG2      VAL 120  -3.774   2.302   1.530
  884    H    PHE 121           H        PHE 121   1.626   1.885   2.676
  885    HA   PHE 121           HA       PHE 121   2.629  -0.526   1.282
  886   1HB   PHE 121          1HB       PHE 121   3.949   1.088   3.492
  887   2HB   PHE 121          2HB       PHE 121   4.700  -0.224   2.590
  888    HD1  PHE 121           HD1      PHE 121   2.882   1.009   0.056
  889    HD2  PHE 121           HD2      PHE 121   6.058   2.346   2.621
  890    HE1  PHE 121           HE1      PHE 121   3.583   2.645  -1.665
  891    HE2  PHE 121           HE2      PHE 121   6.722   4.013   0.914
  892    HZ   PHE 121           HZ       PHE 121   5.493   4.144  -1.232
  893    H    VAL 122           H        VAL 122   2.475  -2.535   2.212
  894    HA   VAL 122           HA       VAL 122   1.420  -2.550   4.997
  895    HB   VAL 122           HB       VAL 122   0.627  -4.031   2.541
  896   1HG1  VAL 122          1HG1      VAL 122   0.941  -5.396   5.218
  897   2HG1  VAL 122          3HG1      VAL 122  -0.305  -5.901   4.079
  898   3HG1  VAL 122          2HG1      VAL 122   1.398  -5.998   3.629
  899   1HG2  VAL 122          2HG2      VAL 122  -0.529  -2.325   4.309
  900   2HG2  VAL 122          1HG2      VAL 122  -1.435  -3.443   3.288
  901   3HG2  VAL 122          3HG2      VAL 122  -1.061  -3.878   4.957
  902    H    LYS 123           H        LYS 123   2.912  -3.141   6.341
  903    HA   LYS 123           HA       LYS 123   5.149  -4.911   5.537
  904   1HB   LYS 123          1HB       LYS 123   5.112  -2.724   7.130
  905   2HB   LYS 123          2HB       LYS 123   4.805  -3.971   8.338
  906   1HG   LYS 123          1HG       LYS 123   7.200  -3.604   8.178
  907   2HG   LYS 123          2HG       LYS 123   6.815  -5.200   7.534
  908   1HD   LYS 123          1HD       LYS 123   7.412  -4.627   5.413
  909   2HD   LYS 123          2HD       LYS 123   6.756  -3.003   5.558
  910   1HE   LYS 123          1HE       LYS 123   9.160  -2.802   5.370
  911   2HE   LYS 123          2HE       LYS 123   8.722  -2.426   7.036
  912   1HZ   LYS 123          3HZ       LYS 123   9.068  -5.068   7.176
  913   2HZ   LYS 123          2HZ       LYS 123  10.209  -4.674   5.981
  914   3HZ   LYS 123          1HZ       LYS 123  10.286  -3.938   7.510
  915    H    ARG 124           H        ARG 124   5.109  -7.100   6.067
  916    HA   ARG 124           HA       ARG 124   2.654  -8.073   7.343
  917   1HB   ARG 124          1HB       ARG 124   3.543  -9.383   5.506
  918   2HB   ARG 124          2HB       ARG 124   5.112  -9.525   6.298
  919   1HG   ARG 124          1HG       ARG 124   4.413 -11.237   7.618
  920   2HG   ARG 124          2HG       ARG 124   2.871 -10.453   7.962
  921   1HD   ARG 124          1HD       ARG 124   1.814 -11.425   6.158
  922   2HD   ARG 124          2HD       ARG 124   3.290 -11.485   5.198
  923    HE   ARG 124           HE       ARG 124   3.553 -13.679   5.978
  924   1HH1  ARG 124          1HH2      ARG 124   1.116 -12.174   7.804
  925   2HH1  ARG 124          2HH2      ARG 124   1.215 -13.277   9.135
  926   1HH2  ARG 124          2HH1      ARG 124   3.989 -14.947   7.894
  927   2HH2  ARG 124          1HH1      ARG 124   2.838 -14.848   9.185
  928    H    VAL 125           H        VAL 125   2.391  -8.371   9.450
  929    HA   VAL 125           HA       VAL 125   4.611  -7.983  11.301
  930    HB   VAL 125           HB       VAL 125   1.812  -8.896  11.997
  931   1HG1  VAL 125          1HG1      VAL 125   4.176  -7.864  13.397
  932   2HG1  VAL 125          3HG1      VAL 125   2.671  -7.058  13.836
  933   3HG1  VAL 125          2HG1      VAL 125   2.819  -8.806  14.016
  934   1HG2  VAL 125          3HG2      VAL 125   2.590  -6.480  10.652
  935   2HG2  VAL 125          2HG2      VAL 125   0.991  -6.951  11.227
  936   3HG2  VAL 125          1HG2      VAL 125   2.085  -6.079  12.294
  937    H2   HC4  69           H2       HC4  69  -6.948  -5.024   3.027
  938    H3   HC4  69           H3       HC4  69  -8.057  -7.483   1.589
  939    H2'  HC4  69           H2'      HC4  69  -6.449  -8.451  -0.001
  940    H3'  HC4  69           H3'      HC4  69  -4.239  -8.469  -1.143
  941    H5'  HC4  69           H5'      HC4  69  -3.050  -4.973   1.094
  942    H6'  HC4  69           H6'      HC4  69  -5.265  -4.947   2.215
   
  No H/Q in entry =         942
  Start of MODEL   10
    1   1H    MET   1           H2       MET   1  19.187   4.053  12.133
    2   2H    MET   1           H1       MET   1  19.579   2.406  12.272
    3   3H    MET   1           H3       MET   1  20.075   3.281  10.907
    4    HA   MET   1           HA       MET   1  18.255   2.094  10.131
    5   1HB   MET   1          1HB       MET   1  17.217   2.646  12.892
    6   2HB   MET   1          2HB       MET   1  16.064   2.334  11.591
    7   1HG   MET   1          2HG       MET   1  18.243   0.435  11.469
    8   2HG   MET   1          1HG       MET   1  17.515   0.420  13.074
    9   1HE   MET   1          3HE       MET   1  17.801  -0.783   9.959
   10   2HE   MET   1          2HE       MET   1  17.117  -2.229  10.696
   11   3HE   MET   1          1HE       MET   1  16.286  -1.461   9.345
   12    H    GLU   2           H        GLU   2  17.543   3.343   8.472
   13    HA   GLU   2           HA       GLU   2  17.022   6.197   8.872
   14   1HB   GLU   2          1HB       GLU   2  17.783   4.583   6.704
   15   2HB   GLU   2          2HB       GLU   2  16.166   5.159   6.298
   16   1HG   GLU   2          1HG       GLU   2  17.109   7.111   5.687
   17   2HG   GLU   2          2HG       GLU   2  17.471   7.390   7.391
   18    H    HIS   3           H        HIS   3  14.978   7.217   8.602
   19    HA   HIS   3           HA       HIS   3  12.699   5.539   9.368
   20   1HB   HIS   3          1HB       HIS   3  13.056   7.814  10.332
   21   2HB   HIS   3          2HB       HIS   3  12.783   8.503   8.732
   22    HD1  HIS   3           HD1      HIS   3  10.561   9.660   9.261
   23    HD2  HIS   3           HD2      HIS   3  10.521   5.583  10.134
   24    HE1  HIS   3           HE1      HIS   3   8.153   9.059   9.769
   25    H    VAL   4           H        VAL   4  11.361   4.607   7.914
   26    HA   VAL   4           HA       VAL   4  10.298   5.937   5.627
   27    HB   VAL   4           HB       VAL   4  12.592   5.638   4.731
   28   1HG1  VAL   4          1HG1      VAL   4  12.515   3.236   6.110
   29   2HG1  VAL   4          3HG1      VAL   4  12.354   2.731   4.428
   30   3HG1  VAL   4          2HG1      VAL   4  13.742   3.696   4.930
   31   1HG2  VAL   4          2HG2      VAL   4  10.171   4.361   3.589
   32   2HG2  VAL   4          1HG2      VAL   4  11.230   5.587   2.893
   33   3HG2  VAL   4          3HG2      VAL   4  11.696   3.888   2.842
   34    H    ALA   5           H        ALA   5   8.350   4.959   5.464
   35    HA   ALA   5           HA       ALA   5   6.711   3.285   5.482
   36   1HB   ALA   5          2HB       ALA   5   9.178   1.949   4.543
   37   2HB   ALA   5          1HB       ALA   5   7.966   0.862   5.216
   38   3HB   ALA   5          3HB       ALA   5   7.554   1.911   3.861
   39    H    PHE   6           H        PHE   6   9.111   1.081   6.792
   40    HA   PHE   6           HA       PHE   6   8.696   1.551   9.573
   41   1HB   PHE   6          1HB       PHE   6   7.423  -0.909   9.568
   42   2HB   PHE   6          2HB       PHE   6   6.648   0.636   9.884
   43    HD1  PHE   6           HD2      PHE   6   7.923  -0.976   6.731
   44    HD2  PHE   6           HD1      PHE   6   4.573   0.703   8.821
   45    HE1  PHE   6           HE2      PHE   6   6.516  -1.299   4.736
   46    HE2  PHE   6           HE1      PHE   6   3.171   0.381   6.811
   47    HZ   PHE   6           HZ       PHE   6   4.150  -0.620   4.781
   48    H    GLY   7           H        GLY   7  10.858   1.121   7.967
   49   1HA   GLY   7          1HA       GLY   7  12.862  -0.168   8.601
   50   2HA   GLY   7          2HA       GLY   7  11.813  -1.576   8.830
   51    H    SER   8           H        SER   8  11.558   0.727   6.188
   52    HA   SER   8           HA       SER   8  12.039  -1.504   4.282
   53   1HB   SER   8          1HB       SER   8  10.746   1.166   3.724
   54   2HB   SER   8          2HB       SER   8  10.731  -0.269   2.705
   55    HG   SER   8           HG       SER   8   8.836  -0.303   3.814
   56    H    GLU   9           H        GLU   9  12.550  -0.122   2.008
   57    HA   GLU   9           HA       GLU   9  15.225   1.113   2.554
   58   1HB   GLU   9          1HB       GLU   9  14.371  -1.060   0.864
   59   2HB   GLU   9          2HB       GLU   9  15.047   0.219  -0.141
   60   1HG   GLU   9          1HG       GLU   9  17.154  -0.043   0.703
   61   2HG   GLU   9          2HG       GLU   9  16.568  -0.386   2.331
   62    H    ASP  10           H        ASP  10  13.541   3.124   2.674
   63    HA   ASP  10           HA       ASP  10  12.720   5.072   1.607
   64   1HB   ASP  10          1HB       ASP  10  15.252   4.358   0.385
   65   2HB   ASP  10          2HB       ASP  10  14.190   5.118  -0.801
   66    H    ILE  11           H        ILE  11  10.613   4.197   1.087
   67    HA   ILE  11           HA       ILE  11  10.285   2.603  -1.302
   68    HB   ILE  11           HB       ILE  11   7.943   3.893  -0.165
   69   1HG1  ILE  11          1HG1      ILE  11   9.146   3.503   1.926
   70   2HG1  ILE  11          2HG1      ILE  11   7.860   2.317   1.756
   71   1HG2  ILE  11          2HG2      ILE  11   8.333   1.927  -1.884
   72   2HG2  ILE  11          1HG2      ILE  11   8.342   0.972  -0.403
   73   3HG2  ILE  11          3HG2      ILE  11   6.934   1.946  -0.814
   74   1HD1  ILE  11          2HD1      ILE  11  10.119   1.270   0.414
   75   2HD1  ILE  11          1HD1      ILE  11  10.658   1.844   1.992
   76   3HD1  ILE  11          3HD1      ILE  11   9.336   0.683   1.879
   77    H    GLU  12           H        GLU  12   8.683   5.655  -0.430
   78    HA   GLU  12           HA       GLU  12   7.767   6.329  -2.918
   79   1HB   GLU  12          1HB       GLU  12   7.836   8.688  -2.225
   80   2HB   GLU  12          2HB       GLU  12   7.354   7.666  -0.871
   81   1HG   GLU  12          1HG       GLU  12  10.214   7.829  -0.907
   82   2HG   GLU  12          2HG       GLU  12   9.559   9.464  -1.000
   83    H    ASN  13           H        ASN  13  11.118   6.407  -1.909
   84    HA   ASN  13           HA       ASN  13  12.032   8.080  -4.106
   85   1HB   ASN  13          1HB       ASN  13  13.158   7.078  -1.761
   86   2HB   ASN  13          2HB       ASN  13  14.021   6.230  -3.044
   87   1HD2  ASN  13          2HD2      ASN  13  14.858   9.603  -4.518
   88   2HD2  ASN  13          1HD2      ASN  13  13.889   8.314  -5.048
   89    H    THR  14           H        THR  14  12.114   4.548  -3.463
   90    HA   THR  14           HA       THR  14  13.171   3.919  -6.088
   91    HB   THR  14           HB       THR  14  12.077   2.388  -3.743
   92    HG1  THR  14           HG1      THR  14  14.171   2.340  -3.687
   93   1HG2  THR  14          1HG2      THR  14  12.069   1.366  -6.583
   94   2HG2  THR  14          3HG2      THR  14  12.346   0.268  -5.229
   95   3HG2  THR  14          2HG2      THR  14  10.835   1.174  -5.335
   96    H    LEU  15           H        LEU  15  10.005   3.347  -4.630
   97    HA   LEU  15           HA       LEU  15   8.380   2.590  -6.680
   98   1HB   LEU  15          1HB       LEU  15   7.677   4.839  -4.769
   99   2HB   LEU  15          2HB       LEU  15   6.537   3.796  -5.610
  100    HG   LEU  15           HG       LEU  15   8.578   2.846  -3.585
  101   1HD1  LEU  15          2HD1      LEU  15   5.830   3.886  -3.369
  102   2HD1  LEU  15          1HD1      LEU  15   6.107   2.353  -2.543
  103   3HD1  LEU  15          3HD1      LEU  15   7.088   3.762  -2.141
  104   1HD2  LEU  15          3HD2      LEU  15   7.813   1.246  -5.424
  105   2HD2  LEU  15          2HD2      LEU  15   7.498   0.718  -3.771
  106   3HD2  LEU  15          1HD2      LEU  15   6.193   1.399  -4.742
  107    H    ALA  16           H        ALA  16   9.744   5.815  -6.272
  108    HA   ALA  16           HA       ALA  16   8.155   6.962  -8.442
  109   1HB   ALA  16          2HB       ALA  16   9.182   8.180  -6.388
  110   2HB   ALA  16          1HB       ALA  16  10.676   8.175  -7.325
  111   3HB   ALA  16          3HB       ALA  16   9.243   8.990  -7.953
  112    H    LYS  17           H        LYS  17  11.700   6.497  -8.061
  113    HA   LYS  17           HA       LYS  17  11.888   6.428 -11.027
  114   1HB   LYS  17          1HB       LYS  17  13.410   7.772  -9.206
  115   2HB   LYS  17          2HB       LYS  17  14.368   6.306  -9.420
  116   1HG   LYS  17          1HG       LYS  17  13.806   6.805 -12.001
  117   2HG   LYS  17          2HG       LYS  17  13.731   8.457 -11.383
  118   1HD   LYS  17          1HD       LYS  17  15.978   8.526 -11.463
  119   2HD   LYS  17          2HD       LYS  17  16.011   7.301 -10.194
  120   1HE   LYS  17          1HE       LYS  17  16.315   5.552 -11.698
  121   2HE   LYS  17          2HE       LYS  17  15.570   6.434 -13.031
  122   1HZ   LYS  17          1HZ       LYS  17  17.599   8.006 -12.661
  123   2HZ   LYS  17          3HZ       LYS  17  18.295   6.624 -11.966
  124   3HZ   LYS  17          2HZ       LYS  17  17.765   6.587 -13.580
  125    H    MET  18           H        MET  18  10.833   4.175 -10.715
  126    HA   MET  18           HA       MET  18  13.038   2.175 -10.446
  127   1HB   MET  18          1HB       MET  18  11.416   2.143  -8.499
  128   2HB   MET  18          2HB       MET  18  10.160   1.688  -9.647
  129   1HG   MET  18          2HG       MET  18  11.616  -0.268 -10.328
  130   2HG   MET  18          1HG       MET  18  12.686   0.156  -8.993
  131   1HE   MET  18          2HE       MET  18   9.168  -0.289 -10.087
  132   2HE   MET  18          1HE       MET  18   8.301  -1.106  -8.789
  133   3HE   MET  18          3HE       MET  18   8.654   0.622  -8.669
  134    H    ASP  19           H        ASP  19  12.834   0.350 -11.888
  135    HA   ASP  19           HA       ASP  19  11.279   1.009 -14.318
  136   1HB   ASP  19          1HB       ASP  19  13.737   0.313 -14.358
  137   2HB   ASP  19          2HB       ASP  19  13.186  -1.311 -13.946
  138    H    ASP  20           H        ASP  20  11.952  -2.113 -12.694
  139    HA   ASP  20           HA       ASP  20   9.281  -2.757 -12.023
  140   1HB   ASP  20          1HB       ASP  20   8.702  -4.324 -13.869
  141   2HB   ASP  20          2HB       ASP  20   8.814  -2.658 -14.437
  142    H    GLY  21           H        GLY  21  10.045  -3.925 -10.327
  143   1HA   GLY  21          1HA       GLY  21  10.589  -6.266  -9.676
  144   2HA   GLY  21          2HA       GLY  21  11.801  -6.262 -10.958
  145    H    GLN  22           H        GLN  22  11.428  -3.371  -9.090
  146    HA   GLN  22           HA       GLN  22  14.036  -3.950  -7.777
  147   1HB   GLN  22          1HB       GLN  22  13.144  -1.743  -9.285
  148   2HB   GLN  22          2HB       GLN  22  13.241  -1.188  -7.613
  149   1HG   GLN  22          1HG       GLN  22  15.529  -1.702  -7.442
  150   2HG   GLN  22          2HG       GLN  22  15.482  -2.790  -8.830
  151   1HE2  GLN  22          2HE2      GLN  22  15.320   1.243  -9.667
  152   2HE2  GLN  22          1HE2      GLN  22  14.511   0.655  -8.296
  153    H    LEU  23           H        LEU  23  10.686  -3.333  -7.197
  154    HA   LEU  23           HA       LEU  23  11.291  -2.876  -4.309
  155   1HB   LEU  23          1HB       LEU  23   9.360  -1.604  -4.108
  156   2HB   LEU  23          2HB       LEU  23   9.827  -1.231  -5.762
  157    HG   LEU  23           HG       LEU  23   7.743  -3.262  -4.895
  158   1HD1  LEU  23          1HD1      LEU  23   7.581  -0.587  -6.308
  159   2HD1  LEU  23          3HD1      LEU  23   6.233  -1.720  -6.199
  160   3HD1  LEU  23          2HD1      LEU  23   6.904  -1.003  -4.733
  161   1HD2  LEU  23          2HD2      LEU  23   8.825  -2.536  -7.630
  162   2HD2  LEU  23          1HD2      LEU  23   8.864  -4.117  -6.857
  163   3HD2  LEU  23          3HD2      LEU  23   7.328  -3.432  -7.385
  164    H    ASP  24           H        ASP  24  10.913  -5.466  -6.073
  165    HA   ASP  24           HA       ASP  24   8.666  -6.714  -4.627
  166   1HB   ASP  24          1HB       ASP  24  10.613  -7.919  -6.618
  167   2HB   ASP  24          2HB       ASP  24   9.128  -8.670  -6.031
  168    H    GLY  25           H        GLY  25  11.884  -6.124  -3.916
  169   1HA   GLY  25          1HA       GLY  25  12.246  -8.685  -2.444
  170   2HA   GLY  25          2HA       GLY  25  13.523  -7.515  -2.776
  171    H    LEU  26           H        LEU  26  10.323  -6.691  -1.566
  172    HA   LEU  26           HA       LEU  26  11.616  -5.680   0.909
  173   1HB   LEU  26          1HB       LEU  26   8.967  -4.858  -0.317
  174   2HB   LEU  26          2HB       LEU  26   9.792  -4.084   1.029
  175    HG   LEU  26           HG       LEU  26  11.258  -4.350  -1.567
  176   1HD1  LEU  26          3HD1      LEU  26   8.787  -3.388  -1.789
  177   2HD1  LEU  26          2HD1      LEU  26   9.531  -1.942  -1.106
  178   3HD1  LEU  26          1HD1      LEU  26  10.132  -2.610  -2.624
  179   1HD2  LEU  26          1HD2      LEU  26  11.432  -2.861   0.947
  180   2HD2  LEU  26          3HD2      LEU  26  12.683  -3.176  -0.255
  181   3HD2  LEU  26          2HD2      LEU  26  11.584  -1.813  -0.464
  182    H    ALA  27           H        ALA  27  10.338  -5.879   2.849
  183    HA   ALA  27           HA       ALA  27   8.901  -8.451   2.999
  184   1HB   ALA  27          3HB       ALA  27  10.591  -7.066   4.743
  185   2HB   ALA  27          2HB       ALA  27   8.991  -6.902   5.470
  186   3HB   ALA  27          1HB       ALA  27   9.646  -8.505   5.133
  187    H    PHE  28           H        PHE  28   7.965  -5.498   2.075
  188    HA   PHE  28           HA       PHE  28   5.249  -5.813   3.257
  189   1HB   PHE  28          1HB       PHE  28   5.132  -3.278   3.253
  190   2HB   PHE  28          2HB       PHE  28   6.279  -3.935   4.421
  191    HD1  PHE  28           HD2      PHE  28   5.982  -2.426   1.026
  192    HD2  PHE  28           HD1      PHE  28   8.620  -3.546   4.217
  193    HE1  PHE  28           HE2      PHE  28   7.844  -1.219  -0.087
  194    HE2  PHE  28           HE1      PHE  28  10.481  -2.339   3.114
  195    HZ   PHE  28           HZ       PHE  28  10.102  -1.179   0.956
  196    H    GLY  29           H        GLY  29   3.957  -3.878   1.880
  197   1HA   GLY  29          1HA       GLY  29   4.489  -4.526  -0.983
  198   2HA   GLY  29          2HA       GLY  29   2.863  -4.341  -0.317
  199    H    ALA  30           H        ALA  30   4.229  -2.686  -2.452
  200    HA   ALA  30           HA       ALA  30   3.909  -0.086  -1.008
  201   1HB   ALA  30          2HB       ALA  30   6.173  -1.013  -2.602
  202   2HB   ALA  30          1HB       ALA  30   5.499   0.498  -3.203
  203   3HB   ALA  30          3HB       ALA  30   6.052   0.387  -1.536
  204    H    ILE  31           H        ILE  31   1.698  -0.159  -1.660
  205    HA   ILE  31           HA       ILE  31   1.177  -0.221  -4.553
  206    HB   ILE  31           HB       ILE  31  -1.112  -0.497  -4.026
  207   1HG1  ILE  31          1HG1      ILE  31  -1.772  -0.286  -1.497
  208   2HG1  ILE  31          2HG1      ILE  31  -0.378   0.795  -1.411
  209   1HG2  ILE  31          2HG2      ILE  31   0.340  -2.387  -3.397
  210   2HG2  ILE  31          1HG2      ILE  31   0.457  -1.751  -1.763
  211   3HG2  ILE  31          3HG2      ILE  31  -1.097  -2.306  -2.385
  212   1HD1  ILE  31          3HD1      ILE  31  -1.962   1.403  -3.753
  213   2HD1  ILE  31          2HD1      ILE  31  -2.977   1.435  -2.311
  214   3HD1  ILE  31          1HD1      ILE  31  -1.541   2.456  -2.401
  215    H    GLN  32           H        GLN  32   0.162   1.415  -5.669
  216    HA   GLN  32           HA       GLN  32   0.394   4.133  -4.465
  217   1HB   GLN  32          1HB       GLN  32   0.301   3.767  -7.421
  218   2HB   GLN  32          2HB       GLN  32   1.219   4.933  -6.478
  219   1HG   GLN  32          1HG       GLN  32   1.879   1.979  -6.804
  220   2HG   GLN  32          2HG       GLN  32   2.744   3.328  -7.544
  221   1HE2  GLN  32          2HE2      GLN  32   4.144   4.415  -4.364
  222   2HE2  GLN  32          1HE2      GLN  32   3.458   5.070  -5.772
  223    H    LEU  33           H        LEU  33  -1.341   5.648  -5.367
  224    HA   LEU  33           HA       LEU  33  -3.656   4.226  -6.527
  225   1HB   LEU  33          1HB       LEU  33  -3.604   5.423  -3.765
  226   2HB   LEU  33          2HB       LEU  33  -5.103   5.392  -4.690
  227    HG   LEU  33           HG       LEU  33  -3.377   2.965  -4.111
  228   1HD1  LEU  33          3HD1      LEU  33  -5.295   4.341  -2.488
  229   2HD1  LEU  33          2HD1      LEU  33  -5.993   2.801  -2.990
  230   3HD1  LEU  33          1HD1      LEU  33  -4.450   2.832  -2.139
  231   1HD2  LEU  33          1HD2      LEU  33  -5.456   3.497  -6.023
  232   2HD2  LEU  33          3HD2      LEU  33  -4.580   1.992  -5.747
  233   3HD2  LEU  33          2HD2      LEU  33  -6.054   2.334  -4.839
  234    H    ASP  34           H        ASP  34  -5.071   5.615  -7.589
  235    HA   ASP  34           HA       ASP  34  -4.140   8.414  -7.903
  236   1HB   ASP  34          1HB       ASP  34  -4.724   6.628  -9.848
  237   2HB   ASP  34          2HB       ASP  34  -6.328   7.314  -9.604
  238    H    GLY  35           H        GLY  35  -6.147   9.931  -8.260
  239   1HA   GLY  35          1HA       GLY  35  -7.479  10.426  -5.940
  240   2HA   GLY  35          2HA       GLY  35  -8.189  10.820  -7.497
  241    H    ASP  36           H        ASP  36  -9.100   8.510  -8.546
  242    HA   ASP  36           HA       ASP  36 -11.393   7.901  -6.955
  243   1HB   ASP  36          1HB       ASP  36 -10.179   6.761  -9.442
  244   2HB   ASP  36          2HB       ASP  36 -11.457   5.852  -8.634
  245    H    GLY  37           H        GLY  37  -8.237   6.648  -6.881
  246   1HA   GLY  37          1HA       GLY  37  -7.453   5.301  -4.999
  247   2HA   GLY  37          2HA       GLY  37  -9.057   4.559  -4.932
  248    H    ASN  38           H        ASN  38  -7.448   5.227  -7.952
  249    HA   ASN  38           HA       ASN  38  -7.612   2.347  -8.623
  250   1HB   ASN  38          1HB       ASN  38  -7.043   4.861 -10.140
  251   2HB   ASN  38          2HB       ASN  38  -6.507   3.327 -10.822
  252   1HD2  ASN  38          2HD2      ASN  38  -9.894   2.070 -11.176
  253   2HD2  ASN  38          1HD2      ASN  38  -8.336   1.544 -10.759
  254    H    ILE  39           H        ILE  39  -5.896   0.944  -8.793
  255    HA   ILE  39           HA       ILE  39  -3.464   1.600  -7.439
  256    HB   ILE  39           HB       ILE  39  -4.620  -0.763  -8.153
  257   1HG1  ILE  39          1HG1      ILE  39  -2.457  -1.826  -7.455
  258   2HG1  ILE  39          2HG1      ILE  39  -1.683  -0.246  -7.588
  259   1HG2  ILE  39          1HG2      ILE  39  -3.889  -0.438 -10.538
  260   2HG2  ILE  39          3HG2      ILE  39  -2.224  -0.580  -9.976
  261   3HG2  ILE  39          2HG2      ILE  39  -3.336  -1.935  -9.790
  262   1HD1  ILE  39          3HD1      ILE  39  -4.168  -0.499  -5.924
  263   2HD1  ILE  39          2HD1      ILE  39  -2.635  -1.062  -5.258
  264   3HD1  ILE  39          1HD1      ILE  39  -2.818   0.621  -5.752
  265    H    LEU  40           H        LEU  40  -1.532   2.325  -8.131
  266    HA   LEU  40           HA       LEU  40  -1.221   2.828 -11.060
  267   1HB   LEU  40          1HB       LEU  40   0.606   4.233  -9.179
  268   2HB   LEU  40          2HB       LEU  40  -0.162   4.820 -10.646
  269    HG   LEU  40           HG       LEU  40  -1.609   4.407  -8.008
  270   1HD1  LEU  40          3HD1      LEU  40  -0.493   6.868  -9.363
  271   2HD1  LEU  40          2HD1      LEU  40  -1.725   6.942  -8.104
  272   3HD1  LEU  40          1HD1      LEU  40  -0.134   6.272  -7.743
  273   1HD2  LEU  40          3HD2      LEU  40  -2.874   4.188 -10.230
  274   2HD2  LEU  40          2HD2      LEU  40  -3.491   5.370  -9.079
  275   3HD2  LEU  40          1HD2      LEU  40  -2.536   5.903 -10.461
  276    H    GLN  41           H        GLN  41   0.084   1.402  -8.154
  277    HA   GLN  41           HA       GLN  41   1.796  -0.330  -9.719
  278   1HB   GLN  41          1HB       GLN  41   2.958   2.048  -8.846
  279   2HB   GLN  41          2HB       GLN  41   3.473   0.870  -7.644
  280   1HG   GLN  41          1HG       GLN  41   3.900   0.769 -10.645
  281   2HG   GLN  41          2HG       GLN  41   5.135   0.854  -9.386
  282   1HE2  GLN  41          2HE2      GLN  41   3.312  -2.697 -10.220
  283   2HE2  GLN  41          1HE2      GLN  41   2.804  -1.274 -10.968
  284    H    TYR  42           H        TYR  42   2.522  -2.211  -8.366
  285    HA   TYR  42           HA       TYR  42   1.291  -2.256  -5.650
  286   1HB   TYR  42          1HB       TYR  42  -0.070  -3.354  -7.553
  287   2HB   TYR  42          2HB       TYR  42   1.169  -4.603  -7.550
  288    HD1  TYR  42           HD1      TYR  42  -0.919  -2.694  -5.101
  289    HD2  TYR  42           HD2      TYR  42   0.800  -6.467  -6.194
  290    HE1  TYR  42           HE1      TYR  42  -2.040  -3.763  -3.177
  291    HE2  TYR  42           HE2      TYR  42  -0.338  -7.543  -4.277
  292    HH   TYR  42           HH       TYR  42  -1.320  -6.973  -2.157
  293    H    ASN  43           H        ASN  43   3.075  -4.530  -7.726
  294    HA   ASN  43           HA       ASN  43   5.326  -5.293  -7.468
  295   1HB   ASN  43          1HB       ASN  43   6.652  -4.929  -5.611
  296   2HB   ASN  43          2HB       ASN  43   5.560  -3.559  -5.483
  297   1HD2  ASN  43          2HD2      ASN  43   5.794  -5.330  -2.164
  298   2HD2  ASN  43          1HD2      ASN  43   6.951  -4.668  -3.214
  299    H    ALA  44           H        ALA  44   6.158  -7.353  -6.105
  300    HA   ALA  44           HA       ALA  44   3.816  -9.169  -6.135
  301   1HB   ALA  44          2HB       ALA  44   6.203  -9.435  -7.324
  302   2HB   ALA  44          1HB       ALA  44   6.567 -10.239  -5.797
  303   3HB   ALA  44          3HB       ALA  44   5.243 -10.821  -6.809
  304    H    ALA  45           H        ALA  45   6.107  -7.906  -3.789
  305    HA   ALA  45           HA       ALA  45   6.058  -9.935  -1.846
  306   1HB   ALA  45          2HB       ALA  45   6.566  -7.074  -1.881
  307   2HB   ALA  45          1HB       ALA  45   5.795  -7.569  -0.375
  308   3HB   ALA  45          3HB       ALA  45   7.307  -8.324  -0.882
  309    H    GLU  46           H        GLU  46   3.883  -7.139  -1.820
  310    HA   GLU  46           HA       GLU  46   2.123  -8.160   0.160
  311   1HB   GLU  46          1HB       GLU  46   0.382  -6.666  -1.303
  312   2HB   GLU  46          2HB       GLU  46   1.497  -5.994  -0.134
  313   1HG   GLU  46          1HG       GLU  46   3.119  -5.562  -1.939
  314   2HG   GLU  46          2HG       GLU  46   1.970  -6.212  -3.110
  315    HE1  GLU  46           HE1      GLU  46   0.230  -3.978  -0.770
  316    H    GLY  47           H        GLY  47   1.675  -8.122  -3.346
  317   1HA   GLY  47          1HA       GLY  47  -0.706  -9.669  -3.367
  318   2HA   GLY  47          2HA       GLY  47   0.440  -9.603  -4.718
  319    H    ASP  48           H        ASP  48   2.494 -10.656  -2.536
  320    HA   ASP  48           HA       ASP  48   2.207 -13.446  -3.294
  321   1HB   ASP  48          1HB       ASP  48   4.271 -11.806  -2.292
  322   2HB   ASP  48          2HB       ASP  48   3.990 -13.024  -1.048
  323    H    ILE  49           H        ILE  49   1.695 -11.544  -0.340
  324    HA   ILE  49           HA       ILE  49   0.809 -13.908   1.147
  325    HB   ILE  49           HB       ILE  49   1.729 -11.285   1.745
  326   1HG1  ILE  49          1HG1      ILE  49   2.549 -13.437   2.661
  327   2HG1  ILE  49          2HG1      ILE  49   2.163 -12.273   3.928
  328   1HG2  ILE  49          2HG2      ILE  49  -0.921 -11.982   3.011
  329   2HG2  ILE  49          1HG2      ILE  49   0.218 -10.842   3.729
  330   3HG2  ILE  49          3HG2      ILE  49  -0.495 -10.501   2.153
  331   1HD1  ILE  49          2HD1      ILE  49  -0.065 -13.343   4.200
  332   2HD1  ILE  49          1HD1      ILE  49   0.380 -14.538   2.981
  333   3HD1  ILE  49          3HD1      ILE  49   1.252 -14.473   4.513
  334    H    THR  50           H        THR  50  -0.707 -10.821   0.208
  335    HA   THR  50           HA       THR  50  -3.383 -11.745   0.802
  336    HB   THR  50           HB       THR  50  -4.108  -9.630  -0.052
  337    HG1  THR  50           HG1      THR  50  -1.567  -9.441  -1.296
  338   1HG2  THR  50          1HG2      THR  50  -2.274  -9.765   1.907
  339   2HG2  THR  50          3HG2      THR  50  -1.371  -8.784   0.752
  340   3HG2  THR  50          2HG2      THR  50  -2.939  -8.232   1.342
  341    H    GLY  51           H        GLY  51  -1.314 -11.905  -1.999
  342   1HA   GLY  51          1HA       GLY  51  -1.718 -13.408  -3.837
  343   2HA   GLY  51          2HA       GLY  51  -3.428 -13.393  -3.415
  344    H    ARG  52           H        ARG  52  -3.127 -10.342  -3.115
  345    HA   ARG  52           HA       ARG  52  -4.331  -9.405  -5.410
  346   1HB   ARG  52          1HB       ARG  52  -2.645  -8.220  -3.314
  347   2HB   ARG  52          2HB       ARG  52  -2.681  -7.305  -4.813
  348   1HG   ARG  52          1HG       ARG  52  -5.344  -8.025  -4.377
  349   2HG   ARG  52          2HG       ARG  52  -4.744  -7.573  -2.784
  350   1HD   ARG  52          1HD       ARG  52  -3.712  -5.702  -4.689
  351   2HD   ARG  52          2HD       ARG  52  -5.440  -5.847  -4.955
  352    HE   ARG  52           HE       ARG  52  -5.449  -5.450  -2.289
  353   1HH1  ARG  52          1HH2      ARG  52  -4.819  -3.541  -4.928
  354   2HH1  ARG  52          2HH2      ARG  52  -4.040  -2.259  -4.061
  355   1HH2  ARG  52          2HH1      ARG  52  -3.866  -4.017  -1.084
  356   2HH2  ARG  52          1HH1      ARG  52  -3.499  -2.532  -1.887
  357    H    ASP  53           H        ASP  53  -3.543 -10.224  -7.371
  358    HA   ASP  53           HA       ASP  53  -0.738 -10.187  -8.085
  359   1HB   ASP  53          1HB       ASP  53  -3.304 -10.540  -9.636
  360   2HB   ASP  53          2HB       ASP  53  -1.752 -10.426 -10.468
  361    HA   PRO  54           HA       PRO  54  -0.410  -5.973  -9.317
  362   1HB   PRO  54          1HB       PRO  54   1.463  -6.159 -11.321
  363   2HB   PRO  54          2HB       PRO  54   1.849  -6.305  -9.596
  364   1HG   PRO  54          1HG       PRO  54   1.685  -8.444 -11.672
  365   2HG   PRO  54          2HG       PRO  54   2.637  -8.400 -10.179
  366   1HD   PRO  54          1HD       PRO  54   0.219  -9.818 -10.552
  367   2HD   PRO  54          2HD       PRO  54   0.996  -9.474  -8.992
  368    H    LYS  55           H        LYS  55  -0.168  -7.883 -12.344
  369    HA   LYS  55           HA       LYS  55  -1.465  -5.930 -13.958
  370   1HB   LYS  55          1HB       LYS  55  -0.918  -8.872 -14.267
  371   2HB   LYS  55          2HB       LYS  55  -1.896  -8.021 -15.463
  372   1HG   LYS  55          1HG       LYS  55   0.298  -6.338 -15.031
  373   2HG   LYS  55          2HG       LYS  55   0.986  -7.961 -15.072
  374   1HD   LYS  55          1HD       LYS  55   0.527  -8.229 -17.282
  375   2HD   LYS  55          2HD       LYS  55  -1.056  -7.464 -17.138
  376   1HE   LYS  55          1HE       LYS  55   1.578  -5.963 -17.147
  377   2HE   LYS  55          2HE       LYS  55   0.526  -6.145 -18.551
  378   1HZ   LYS  55          3HZ       LYS  55  -1.207  -5.263 -16.735
  379   2HZ   LYS  55          2HZ       LYS  55   0.204  -4.486 -16.192
  380   3HZ   LYS  55          1HZ       LYS  55  -0.348  -4.239 -17.780
  381    H    GLN  56           H        GLN  56  -2.757  -8.208 -11.707
  382    HA   GLN  56           HA       GLN  56  -5.422  -8.222 -12.960
  383   1HB   GLN  56          1HB       GLN  56  -4.106  -9.976 -11.287
  384   2HB   GLN  56          2HB       GLN  56  -5.220  -9.169 -10.184
  385   1HG   GLN  56          1HG       GLN  56  -6.965 -10.308 -11.034
  386   2HG   GLN  56          2HG       GLN  56  -6.559  -9.785 -12.669
  387   1HE2  GLN  56          2HE2      GLN  56  -5.270 -12.931 -13.564
  388   2HE2  GLN  56          1HE2      GLN  56  -5.849 -11.416 -14.063
  389    H    VAL  57           H        VAL  57  -3.847  -6.814 -10.102
  390    HA   VAL  57           HA       VAL  57  -6.290  -5.442  -9.268
  391    HB   VAL  57           HB       VAL  57  -4.881  -4.402  -7.568
  392   1HG1  VAL  57          2HG1      VAL  57  -4.544  -7.340  -8.116
  393   2HG1  VAL  57          1HG1      VAL  57  -3.800  -6.605  -6.695
  394   3HG1  VAL  57          3HG1      VAL  57  -5.550  -6.548  -6.902
  395   1HG2  VAL  57          2HG2      VAL  57  -2.666  -5.497  -9.308
  396   2HG2  VAL  57          1HG2      VAL  57  -2.862  -3.863  -8.679
  397   3HG2  VAL  57          3HG2      VAL  57  -2.394  -5.174  -7.596
  398    H    ILE  58           H        ILE  58  -4.307  -4.934 -11.856
  399    HA   ILE  58           HA       ILE  58  -3.904  -2.093 -11.628
  400    HB   ILE  58           HB       ILE  58  -3.393  -4.193 -13.624
  401   1HG1  ILE  58          1HG1      ILE  58  -2.052  -1.526 -13.151
  402   2HG1  ILE  58          2HG1      ILE  58  -1.788  -2.929 -12.115
  403   1HG2  ILE  58          2HG2      ILE  58  -4.125  -1.391 -14.542
  404   2HG2  ILE  58          1HG2      ILE  58  -3.139  -2.494 -15.500
  405   3HG2  ILE  58          3HG2      ILE  58  -4.808  -2.913 -15.113
  406   1HD1  ILE  58          1HD1      ILE  58  -1.530  -3.425 -15.028
  407   2HD1  ILE  58          3HD1      ILE  58  -0.283  -2.402 -14.316
  408   3HD1  ILE  58          2HD1      ILE  58  -0.549  -4.030 -13.693
  409    H    GLY  59           H        GLY  59  -5.396  -0.592 -11.747
  410   1HA   GLY  59          1HA       GLY  59  -7.249   0.567 -12.740
  411   2HA   GLY  59          2HA       GLY  59  -7.685  -0.914 -13.596
  412    H    LYS  60           H        LYS  60  -7.190  -2.222 -10.749
  413    HA   LYS  60           HA       LYS  60 -10.014  -2.162 -10.015
  414   1HB   LYS  60          1HB       LYS  60  -7.720  -3.402  -8.465
  415   2HB   LYS  60          2HB       LYS  60  -9.428  -3.830  -8.376
  416   1HG   LYS  60          1HG       LYS  60  -7.665  -4.155 -10.824
  417   2HG   LYS  60          2HG       LYS  60  -8.167  -5.459  -9.746
  418   1HD   LYS  60          1HD       LYS  60 -10.579  -4.712 -10.247
  419   2HD   LYS  60          2HD       LYS  60  -9.887  -3.791 -11.583
  420   1HE   LYS  60          1HE       LYS  60 -10.246  -5.758 -12.710
  421   2HE   LYS  60          2HE       LYS  60  -8.672  -6.156 -12.021
  422   1HZ   LYS  60          1HZ       LYS  60 -11.256  -6.764 -10.698
  423   2HZ   LYS  60          3HZ       LYS  60 -10.408  -7.872 -11.663
  424   3HZ   LYS  60          2HZ       LYS  60  -9.712  -7.291 -10.227
  425    H    ASN  61           H        ASN  61 -10.901  -1.091  -8.260
  426    HA   ASN  61           HA       ASN  61  -9.323   1.087  -7.097
  427   1HB   ASN  61          1HB       ASN  61 -12.094   0.503  -7.505
  428   2HB   ASN  61          2HB       ASN  61 -11.844   0.745  -5.776
  429   1HD2  ASN  61          2HD2      ASN  61 -10.537   3.877  -8.096
  430   2HD2  ASN  61          1HD2      ASN  61 -10.106   2.291  -8.520
  431    H    PHE  62           H        PHE  62  -7.766   0.131  -5.722
  432    HA   PHE  62           HA       PHE  62  -8.185  -2.086  -4.011
  433   1HB   PHE  62          1HB       PHE  62  -5.944  -1.375  -4.207
  434   2HB   PHE  62          2HB       PHE  62  -6.351   0.300  -3.847
  435    HD1  PHE  62           HD1      PHE  62  -6.586  -3.095  -2.252
  436    HD2  PHE  62           HD2      PHE  62  -5.903   1.102  -1.702
  437    HE1  PHE  62           HE1      PHE  62  -6.081  -3.495   0.143
  438    HE2  PHE  62           HE2      PHE  62  -5.370   0.708   0.686
  439    HZ   PHE  62           HZ       PHE  62  -5.470  -1.592   1.612
  440    H    PHE  63           H        PHE  63  -8.978   1.287  -3.547
  441    HA   PHE  63           HA       PHE  63  -9.650   0.907  -0.747
  442   1HB   PHE  63          1HB       PHE  63  -9.580   3.150  -2.659
  443   2HB   PHE  63          2HB       PHE  63 -10.823   3.283  -1.411
  444    HD1  PHE  63           HD2      PHE  63 -10.051   2.661   1.024
  445    HD2  PHE  63           HD1      PHE  63  -7.401   3.810  -2.150
  446    HE1  PHE  63           HE2      PHE  63  -8.326   3.279   2.690
  447    HE2  PHE  63           HE1      PHE  63  -5.667   4.422  -0.481
  448    HZ   PHE  63           HZ       PHE  63  -6.133   4.159   1.941
  449    H    LYS  64           H        LYS  64 -11.405   0.651  -3.750
  450    HA   LYS  64           HA       LYS  64 -13.807  -0.115  -2.202
  451   1HB   LYS  64          1HB       LYS  64 -13.887   2.383  -2.817
  452   2HB   LYS  64          2HB       LYS  64 -14.052   1.845  -4.489
  453   1HG   LYS  64          1HG       LYS  64 -15.959   0.319  -3.511
  454   2HG   LYS  64          2HG       LYS  64 -15.954   1.492  -2.194
  455   1HD   LYS  64          1HD       LYS  64 -15.904   3.156  -4.358
  456   2HD   LYS  64          2HD       LYS  64 -16.851   1.809  -4.995
  457   1HE   LYS  64          1HE       LYS  64 -17.834   2.225  -2.397
  458   2HE   LYS  64          2HE       LYS  64 -17.628   3.840  -3.075
  459   1HZ   LYS  64          1HZ       LYS  64 -18.820   3.008  -5.082
  460   2HZ   LYS  64          3HZ       LYS  64 -19.175   1.587  -4.226
  461   3HZ   LYS  64          2HZ       LYS  64 -19.773   3.081  -3.678
  462    H    ASP  65           H        ASP  65 -12.174  -1.876  -3.530
  463    HA   ASP  65           HA       ASP  65 -13.997  -3.100  -5.378
  464   1HB   ASP  65          1HB       ASP  65 -12.849  -1.094  -6.654
  465   2HB   ASP  65          2HB       ASP  65 -11.516  -2.240  -6.811
  466    H    VAL  66           H        VAL  66 -10.711  -2.931  -4.046
  467    HA   VAL  66           HA       VAL  66 -10.329  -5.806  -4.752
  468    HB   VAL  66           HB       VAL  66  -8.321  -3.942  -3.488
  469   1HG1  VAL  66          3HG1      VAL  66  -8.375  -6.688  -4.046
  470   2HG1  VAL  66          2HG1      VAL  66  -7.320  -5.976  -5.266
  471   3HG1  VAL  66          1HG1      VAL  66  -6.986  -5.726  -3.554
  472   1HG2  VAL  66          1HG2      VAL  66  -9.171  -3.044  -5.691
  473   2HG2  VAL  66          3HG2      VAL  66  -7.443  -3.393  -5.640
  474   3HG2  VAL  66          2HG2      VAL  66  -8.546  -4.512  -6.445
  475    H    ALA  67           H        ALA  67  -9.640  -3.552  -2.159
  476    HA   ALA  67           HA       ALA  67  -9.831  -5.709  -0.157
  477   1HB   ALA  67          2HB       ALA  67  -8.698  -2.932  -0.297
  478   2HB   ALA  67          1HB       ALA  67  -8.944  -3.718   1.263
  479   3HB   ALA  67          3HB       ALA  67  -7.872  -4.447   0.067
  480    HA   PRO  68           HA       PRO  68 -13.899  -3.823   0.611
  481   1HB   PRO  68          1HB       PRO  68 -14.928  -6.005   1.932
  482   2HB   PRO  68          2HB       PRO  68 -14.927  -5.845   0.168
  483   1HG   PRO  68          1HG       PRO  68 -13.201  -7.552   1.898
  484   2HG   PRO  68          2HG       PRO  68 -13.692  -7.797   0.214
  485   1HD   PRO  68          1HD       PRO  68 -11.173  -6.838   1.077
  486   2HD   PRO  68          2HD       PRO  68 -11.808  -6.759  -0.580
  487    H    CYS  69           H        CYS  69 -11.292  -4.556   2.547
  488    HA   CYS  69           HA       CYS  69 -12.699  -3.877   5.069
  489   1HB   CYS  69          1HB       CYS  69 -10.934  -4.967   6.218
  490   2HB   CYS  69          2HB       CYS  69 -11.226  -5.989   4.814
  491    H    THR  70           H        THR  70 -10.494  -2.659   2.688
  492    HA   THR  70           HA       THR  70  -9.331  -0.649   4.490
  493    HB   THR  70           HB       THR  70  -8.322   0.187   2.275
  494    HG1  THR  70           HG1      THR  70  -9.847  -0.812   0.918
  495   1HG2  THR  70          3HG2      THR  70  -7.758  -2.124   3.905
  496   2HG2  THR  70          2HG2      THR  70  -7.255  -2.428   2.243
  497   3HG2  THR  70          1HG2      THR  70  -6.627  -1.027   3.112
  498    H    ASP  71           H        ASP  71 -12.330  -0.882   3.376
  499    HA   ASP  71           HA       ASP  71 -12.547   1.977   2.551
  500   1HB   ASP  71          1HB       ASP  71 -13.591  -0.165   1.292
  501   2HB   ASP  71          2HB       ASP  71 -14.900   0.154   2.431
  502    H    SER  72           H        SER  72 -12.060   1.986   5.118
  503    HA   SER  72           HA       SER  72 -14.706   2.464   6.383
  504   1HB   SER  72          1HB       SER  72 -13.021   0.236   6.992
  505   2HB   SER  72          2HB       SER  72 -12.982   1.337   8.366
  506    HG   SER  72           HG       SER  72 -14.936  -0.312   7.580
  507    HA   PRO  73           HA       PRO  73 -12.665   5.873   8.298
  508   1HB   PRO  73          1HB       PRO  73 -13.544   5.810  10.903
  509   2HB   PRO  73          2HB       PRO  73 -14.553   6.315   9.536
  510   1HG   PRO  73          1HG       PRO  73 -14.631   3.769  11.085
  511   2HG   PRO  73          2HG       PRO  73 -15.926   4.577  10.186
  512   1HD   PRO  73          1HD       PRO  73 -14.446   2.338   9.302
  513   2HD   PRO  73          2HD       PRO  73 -15.497   3.354   8.294
  514    H    GLU  74           H        GLU  74 -10.564   4.708   8.066
  515    HA   GLU  74           HA       GLU  74  -8.866   4.923  10.288
  516   1HB   GLU  74          1HB       GLU  74 -10.477   2.625  10.514
  517   2HB   GLU  74          2HB       GLU  74  -8.910   2.042   9.956
  518   1HG   GLU  74          1HG       GLU  74  -8.168   3.870  11.863
  519   2HG   GLU  74          2HG       GLU  74  -9.656   3.220  12.552
  520    H    PHE  75           H        PHE  75  -9.689   3.081   7.420
  521    HA   PHE  75           HA       PHE  75  -6.843   3.177   6.529
  522   1HB   PHE  75          1HB       PHE  75  -8.505   1.026   6.541
  523   2HB   PHE  75          2HB       PHE  75  -8.884   1.688   4.952
  524    HD1  PHE  75           HD1      PHE  75  -6.909   2.270   3.410
  525    HD2  PHE  75           HD2      PHE  75  -6.544  -0.248   6.860
  526    HE1  PHE  75           HE1      PHE  75  -4.819   1.339   2.490
  527    HE2  PHE  75           HE2      PHE  75  -4.434  -1.187   5.949
  528    HZ   PHE  75           HZ       PHE  75  -3.566  -0.392   3.764
  529    H    TYR  76           H        TYR  76 -10.073   3.276   4.978
  530    HA   TYR  76           HA       TYR  76  -9.135   5.183   2.988
  531   1HB   TYR  76          1HB       TYR  76 -11.047   3.502   2.667
  532   2HB   TYR  76          2HB       TYR  76 -12.025   4.580   3.663
  533    HD1  TYR  76           HD1      TYR  76  -9.402   5.394   1.103
  534    HD2  TYR  76           HD2      TYR  76 -13.553   5.597   2.197
  535    HE1  TYR  76           HE1      TYR  76  -9.850   6.812  -0.880
  536    HE2  TYR  76           HE2      TYR  76 -14.000   7.024   0.219
  537    HH   TYR  76           HH       TYR  76 -12.793   7.320  -2.144
  538    H    GLY  77           H        GLY  77 -10.332   5.341   6.210
  539   1HA   GLY  77          1HA       GLY  77 -11.520   7.942   6.200
  540   2HA   GLY  77          2HA       GLY  77 -10.835   7.142   7.604
  541    H    LYS  78           H        LYS  78  -8.302   7.010   7.429
  542    HA   LYS  78           HA       LYS  78  -7.318   9.681   7.563
  543   1HB   LYS  78          1HB       LYS  78  -5.536   7.302   7.083
  544   2HB   LYS  78          2HB       LYS  78  -5.206   8.747   8.036
  545   1HG   LYS  78          1HG       LYS  78  -6.901   6.367   8.733
  546   2HG   LYS  78          2HG       LYS  78  -5.686   7.186   9.709
  547   1HD   LYS  78          1HD       LYS  78  -7.480   9.205   9.410
  548   2HD   LYS  78          2HD       LYS  78  -8.570   7.820   9.337
  549   1HE   LYS  78          1HE       LYS  78  -7.687   6.986  11.475
  550   2HE   LYS  78          2HE       LYS  78  -6.545   8.330  11.543
  551   1HZ   LYS  78          1HZ       LYS  78  -8.442   9.857  11.526
  552   2HZ   LYS  78          3HZ       LYS  78  -9.507   8.539  11.550
  553   3HZ   LYS  78          2HZ       LYS  78  -8.475   8.821  12.871
  554    H    PHE  79           H        PHE  79  -7.809   7.629   4.893
  555    HA   PHE  79           HA       PHE  79  -5.880   8.916   3.157
  556   1HB   PHE  79          1HB       PHE  79  -6.453   6.612   2.783
  557   2HB   PHE  79          2HB       PHE  79  -8.166   7.007   2.736
  558    HD1  PHE  79           HD1      PHE  79  -8.958   8.619   0.860
  559    HD2  PHE  79           HD2      PHE  79  -5.188   6.544   0.768
  560    HE1  PHE  79           HE1      PHE  79  -8.851   8.901  -1.600
  561    HE2  PHE  79           HE2      PHE  79  -5.115   6.812  -1.675
  562    HZ   PHE  79           HZ       PHE  79  -6.925   7.994  -2.861
  563    H    LYS  80           H        LYS  80  -9.358   9.110   3.749
  564    HA   LYS  80           HA       LYS  80  -9.809  10.941   1.595
  565   1HB   LYS  80          1HB       LYS  80 -11.424   9.802   3.825
  566   2HB   LYS  80          2HB       LYS  80 -11.988  11.310   3.105
  567   1HG   LYS  80          1HG       LYS  80 -11.449   9.946   0.848
  568   2HG   LYS  80          2HG       LYS  80 -11.815   8.586   1.912
  569   1HD   LYS  80          1HD       LYS  80 -14.017   9.049   1.868
  570   2HD   LYS  80          2HD       LYS  80 -13.728  10.737   2.287
  571   1HE   LYS  80          1HE       LYS  80 -13.564   9.525  -0.487
  572   2HE   LYS  80          2HE       LYS  80 -14.811  10.624   0.101
  573   1HZ   LYS  80          2HZ       LYS  80 -12.697  12.073   0.648
  574   2HZ   LYS  80          1HZ       LYS  80 -12.040  11.177  -0.637
  575   3HZ   LYS  80          3HZ       LYS  80 -13.434  12.111  -0.883
  576    H    GLU  81           H        GLU  81  -8.476  11.220   4.705
  577    HA   GLU  81           HA       GLU  81  -9.214  14.115   4.809
  578   1HB   GLU  81          1HB       GLU  81  -8.077  14.095   7.068
  579   2HB   GLU  81          2HB       GLU  81  -9.531  13.109   6.955
  580   1HG   GLU  81          1HG       GLU  81  -8.385  11.272   7.499
  581   2HG   GLU  81          2HG       GLU  81  -7.237  11.550   6.193
  582    H    GLY  82           H        GLY  82  -6.487  11.923   4.505
  583   1HA   GLY  82          1HA       GLY  82  -4.432  13.943   4.486
  584   2HA   GLY  82          2HA       GLY  82  -4.292  12.336   3.757
  585    H    VAL  83           H        VAL  83  -6.523  12.479   2.059
  586    HA   VAL  83           HA       VAL  83  -5.429  13.740  -0.265
  587    HB   VAL  83           HB       VAL  83  -8.270  12.844   0.315
  588   1HG1  VAL  83          2HG1      VAL  83  -7.246  14.323  -1.868
  589   2HG1  VAL  83          1HG1      VAL  83  -7.460  12.670  -2.445
  590   3HG1  VAL  83          3HG1      VAL  83  -8.823  13.541  -1.747
  591   1HG2  VAL  83          2HG2      VAL  83  -6.011  11.303   0.240
  592   2HG2  VAL  83          1HG2      VAL  83  -7.621  10.727  -0.192
  593   3HG2  VAL  83          3HG2      VAL  83  -6.513  11.264  -1.451
  594    H    ALA  84           H        ALA  84  -8.246  14.667   1.751
  595    HA   ALA  84           HA       ALA  84  -8.523  17.213   0.349
  596   1HB   ALA  84          3HB       ALA  84 -10.406  15.854   1.422
  597   2HB   ALA  84          2HB       ALA  84  -9.818  16.458   2.971
  598   3HB   ALA  84          1HB       ALA  84 -10.407  17.588   1.751
  599    H    SER  85           H        SER  85  -6.352  16.196   2.678
  600    HA   SER  85           HA       SER  85  -6.317  18.803   4.099
  601   1HB   SER  85          1HB       SER  85  -6.051  16.939   5.573
  602   2HB   SER  85          2HB       SER  85  -4.852  16.190   4.523
  603    HG   SER  85           HG       SER  85  -3.509  17.215   5.787
  604    H    GLY  86           H        GLY  86  -4.502  16.930   1.751
  605   1HA   GLY  86          1HA       GLY  86  -3.030  17.953   0.138
  606   2HA   GLY  86          2HA       GLY  86  -2.840  19.331   1.226
  607    H    ASN  87           H        ASN  87  -2.628  16.284   2.787
  608    HA   ASN  87           HA       ASN  87   0.201  15.824   2.347
  609   1HB   ASN  87          1HB       ASN  87  -0.688  17.574   4.564
  610   2HB   ASN  87          2HB       ASN  87   0.450  16.305   5.016
  611   1HD2  ASN  87          2HD2      ASN  87   1.750  19.478   2.858
  612   2HD2  ASN  87          1HD2      ASN  87   0.141  19.362   3.387
  613    H    LEU  88           H        LEU  88  -0.684  13.714   2.021
  614    HA   LEU  88           HA       LEU  88  -2.159  12.345   4.122
  615   1HB   LEU  88          1HB       LEU  88  -1.968  11.932   1.471
  616   2HB   LEU  88          2HB       LEU  88  -0.749  10.784   2.022
  617    HG   LEU  88           HG       LEU  88  -3.101  10.621   3.697
  618   1HD1  LEU  88          2HD1      LEU  88  -3.899  11.407   1.251
  619   2HD1  LEU  88          1HD1      LEU  88  -3.726   9.680   0.938
  620   3HD1  LEU  88          3HD1      LEU  88  -4.814  10.241   2.208
  621   1HD2  LEU  88          2HD2      LEU  88  -1.282   8.916   3.369
  622   2HD2  LEU  88          1HD2      LEU  88  -2.905   8.263   3.149
  623   3HD2  LEU  88          3HD2      LEU  88  -1.906   8.630   1.743
  624    H    ASN  89           H        ASN  89  -1.266  11.454   5.894
  625    HA   ASN  89           HA       ASN  89   1.273  10.018   5.759
  626   1HB   ASN  89          1HB       ASN  89   1.887  12.490   6.039
  627   2HB   ASN  89          2HB       ASN  89   1.124  12.399   7.627
  628   1HD2  ASN  89          2HD2      ASN  89   3.917  10.859   9.107
  629   2HD2  ASN  89          1HD2      ASN  89   2.440  11.668   9.314
  630    H    THR  90           H        THR  90  -0.313   8.370   6.460
  631    HA   THR  90           HA       THR  90  -0.945   8.672   9.374
  632    HB   THR  90           HB       THR  90  -2.983   8.894   7.998
  633    HG1  THR  90           HG1      THR  90  -3.550   7.984   9.830
  634   1HG2  THR  90          2HG2      THR  90  -1.922   7.281   6.216
  635   2HG2  THR  90          1HG2      THR  90  -2.688   6.022   7.183
  636   3HG2  THR  90          3HG2      THR  90  -3.669   7.291   6.453
  637    H    MET  91           H        MET  91  -1.417   6.510  10.406
  638    HA   MET  91           HA       MET  91  -0.178   4.120   9.237
  639   1HB   MET  91          1HB       MET  91   1.755   5.525  10.123
  640   2HB   MET  91          2HB       MET  91   1.054   5.338  11.730
  641   1HG   MET  91          2HG       MET  91   1.068   2.747  10.769
  642   2HG   MET  91          1HG       MET  91   2.564   3.408  10.117
  643   1HE   MET  91          2HE       MET  91   4.251   4.170  10.989
  644   2HE   MET  91          1HE       MET  91   4.650   4.579  12.656
  645   3HE   MET  91          3HE       MET  91   4.894   2.931  12.063
  646    H    PHE  92           H        PHE  92  -0.763   2.265  10.459
  647    HA   PHE  92           HA       PHE  92  -1.963   2.413  13.067
  648   1HB   PHE  92          1HB       PHE  92  -4.302   1.750  12.264
  649   2HB   PHE  92          2HB       PHE  92  -3.859   3.443  12.053
  650    HD1  PHE  92           HD1      PHE  92  -4.358   0.213  10.324
  651    HD2  PHE  92           HD2      PHE  92  -3.460   4.376   9.856
  652    HE1  PHE  92           HE1      PHE  92  -4.764   0.022   7.889
  653    HE2  PHE  92           HE2      PHE  92  -3.868   4.188   7.421
  654    HZ   PHE  92           HZ       PHE  92  -4.513   2.005   6.433
  655    H    GLU  93           H        GLU  93  -2.953   0.249  13.656
  656    HA   GLU  93           HA       GLU  93  -1.479  -1.884  12.194
  657   1HB   GLU  93          1HB       GLU  93  -2.153  -3.278  14.211
  658   2HB   GLU  93          2HB       GLU  93  -1.102  -1.912  14.586
  659   1HG   GLU  93          1HG       GLU  93  -3.929  -1.171  14.634
  660   2HG   GLU  93          2HG       GLU  93  -3.557  -2.455  15.783
  661    H    TYR  94           H        TYR  94  -2.705  -2.587  10.508
  662    HA   TYR  94           HA       TYR  94  -5.628  -2.934  10.977
  663   1HB   TYR  94          1HB       TYR  94  -4.328  -1.727   8.898
  664   2HB   TYR  94          2HB       TYR  94  -4.556  -3.356   8.260
  665    HD1  TYR  94           HD1      TYR  94  -6.475  -0.751  10.174
  666    HD2  TYR  94           HD2      TYR  94  -6.561  -3.836   7.186
  667    HE1  TYR  94           HE1      TYR  94  -8.861  -0.246   9.721
  668    HE2  TYR  94           HE2      TYR  94  -8.944  -3.328   6.736
  669    HH   TYR  94           HH       TYR  94 -10.509  -0.529   8.045
  670    H    THR  95           H        THR  95  -6.389  -4.841   9.371
  671    HA   THR  95           HA       THR  95  -4.597  -7.167   9.531
  672    HB   THR  95           HB       THR  95  -7.295  -7.134  10.916
  673    HG1  THR  95           HG1      THR  95  -5.856  -7.627  12.735
  674   1HG2  THR  95          3HG2      THR  95  -6.582  -9.263   9.720
  675   2HG2  THR  95          2HG2      THR  95  -5.222  -9.333  10.842
  676   3HG2  THR  95          1HG2      THR  95  -6.874  -9.428  11.451
  677    H    PHE  96           H        PHE  96  -4.739  -7.744   7.407
  678    HA   PHE  96           HA       PHE  96  -7.263  -7.387   5.947
  679   1HB   PHE  96          1HB       PHE  96  -4.656  -8.646   5.047
  680   2HB   PHE  96          2HB       PHE  96  -6.006  -8.209   4.004
  681    HD1  PHE  96           HD2      PHE  96  -6.605  -5.585   5.734
  682    HD2  PHE  96           HD1      PHE  96  -3.119  -7.192   3.802
  683    HE1  PHE  96           HE2      PHE  96  -5.680  -3.298   5.502
  684    HE2  PHE  96           HE1      PHE  96  -2.204  -4.907   3.565
  685    HZ   PHE  96           HZ       PHE  96  -3.475  -2.958   4.420
  686    H    ASP  97           H        ASP  97  -8.834  -8.879   6.152
  687    HA   ASP  97           HA       ASP  97  -8.052 -11.747   6.065
  688   1HB   ASP  97          1HB       ASP  97  -8.416 -11.090   8.452
  689   2HB   ASP  97          2HB       ASP  97 -10.058 -10.601   8.033
  690    H    TYR  98           H        TYR  98  -9.073 -10.199   3.938
  691    HA   TYR  98           HA       TYR  98 -11.967 -10.630   3.766
  692   1HB   TYR  98          1HB       TYR  98 -11.741  -9.820   1.460
  693   2HB   TYR  98          2HB       TYR  98 -10.805  -8.769   2.519
  694    HD1  TYR  98           HD1      TYR  98 -10.423 -11.840   0.351
  695    HD2  TYR  98           HD2      TYR  98  -8.548  -8.350   2.040
  696    HE1  TYR  98           HE1      TYR  98  -8.368 -12.321  -0.930
  697    HE2  TYR  98           HE2      TYR  98  -6.486  -8.832   0.731
  698    HH   TYR  98           HH       TYR  98  -5.750 -10.038  -1.148
  699    H    GLN  99           H        GLN  99 -12.952 -12.282   2.491
  700    HA   GLN  99           HA       GLN  99 -12.820 -14.792   2.367
  701   1HB   GLN  99          1HB       GLN  99 -13.922 -13.828   0.492
  702   2HB   GLN  99          2HB       GLN  99 -12.420 -13.194  -0.168
  703   1HG   GLN  99          1HG       GLN  99 -11.833 -15.185  -1.112
  704   2HG   GLN  99          2HG       GLN  99 -12.549 -16.140   0.188
  705   1HE2  GLN  99          2HE2      GLN  99 -14.672 -15.506  -3.173
  706   2HE2  GLN  99          1HE2      GLN  99 -13.033 -15.087  -3.033
  707    H    MET 100           H        MET 100 -10.625 -14.939   3.575
  708    HA   MET 100           HA       MET 100  -8.837 -16.631   2.136
  709   1HB   MET 100          1HB       MET 100  -8.493 -14.010   1.348
  710   2HB   MET 100          2HB       MET 100  -7.328 -14.144   2.669
  711   1HG   MET 100          2HG       MET 100  -6.105 -15.830   1.595
  712   2HG   MET 100          1HG       MET 100  -7.462 -16.292   0.569
  713   1HE   MET 100          2HE       MET 100  -5.302 -13.661   1.775
  714   2HE   MET 100          1HE       MET 100  -4.134 -13.768   0.461
  715   3HE   MET 100          3HE       MET 100  -5.237 -12.388   0.558
  716    H    THR 101           H        THR 101  -6.420 -15.929   3.495
  717    HA   THR 101           HA       THR 101  -7.126 -16.801   6.217
  718    HB   THR 101           HB       THR 101  -5.164 -17.660   4.716
  719    HG1  THR 101           HG1      THR 101  -4.715 -18.510   6.548
  720   1HG2  THR 101          1HG2      THR 101  -4.335 -15.233   4.391
  721   2HG2  THR 101          3HG2      THR 101  -3.672 -15.385   6.019
  722   3HG2  THR 101          2HG2      THR 101  -3.127 -16.469   4.739
  723    HA   PRO 102           HA       PRO 102  -6.817 -12.742   7.929
  724   1HB   PRO 102          1HB       PRO 102  -6.050 -13.341  10.504
  725   2HB   PRO 102          2HB       PRO 102  -7.697 -13.563   9.891
  726   1HG   PRO 102          1HG       PRO 102  -5.604 -15.617  10.436
  727   2HG   PRO 102          2HG       PRO 102  -7.367 -15.779  10.456
  728   1HD   PRO 102          1HD       PRO 102  -5.661 -16.633   8.384
  729   2HD   PRO 102          2HD       PRO 102  -7.423 -16.456   8.263
  730    H    THR 103           H        THR 103  -5.242 -11.141   8.134
  731    HA   THR 103           HA       THR 103  -2.432 -11.979   8.643
  732    HB   THR 103           HB       THR 103  -3.518 -10.601   6.188
  733    HG1  THR 103           HG1      THR 103  -1.482 -12.525   6.598
  734   1HG2  THR 103          3HG2      THR 103  -0.919 -10.043   7.551
  735   2HG2  THR 103          2HG2      THR 103  -0.890 -10.220   5.798
  736   3HG2  THR 103          1HG2      THR 103  -1.907  -8.988   6.542
  737    H    LYS 104           H        LYS 104  -1.262 -10.453   9.773
  738    HA   LYS 104           HA       LYS 104  -2.682  -7.901  10.428
  739   1HB   LYS 104          1HB       LYS 104  -1.938  -9.715  12.261
  740   2HB   LYS 104          2HB       LYS 104  -0.390  -8.887  12.087
  741   1HG   LYS 104          1HG       LYS 104  -1.128  -7.098  13.241
  742   2HG   LYS 104          2HG       LYS 104  -2.582  -6.986  12.249
  743   1HD   LYS 104          1HD       LYS 104  -3.314  -7.406  14.498
  744   2HD   LYS 104          2HD       LYS 104  -3.526  -8.913  13.606
  745   1HE   LYS 104          1HE       LYS 104  -1.795  -9.970  14.704
  746   2HE   LYS 104          2HE       LYS 104  -0.905  -8.471  14.965
  747   1HZ   LYS 104          1HZ       LYS 104  -2.842  -7.881  16.505
  748   2HZ   LYS 104          3HZ       LYS 104  -3.209  -9.536  16.472
  749   3HZ   LYS 104          2HZ       LYS 104  -1.701  -9.013  17.056
  750    H    VAL 105           H        VAL 105  -1.482  -5.971  10.080
  751    HA   VAL 105           HA       VAL 105   1.361  -6.254   9.252
  752    HB   VAL 105           HB       VAL 105   0.967  -5.052   7.138
  753   1HG1  VAL 105          1HG1      VAL 105   0.681  -7.635   7.413
  754   2HG1  VAL 105          3HG1      VAL 105  -1.038  -7.313   7.198
  755   3HG1  VAL 105          2HG1      VAL 105   0.104  -6.891   5.924
  756   1HG2  VAL 105          1HG2      VAL 105  -1.602  -4.557   8.373
  757   2HG2  VAL 105          3HG2      VAL 105  -0.896  -3.810   6.943
  758   3HG2  VAL 105          2HG2      VAL 105  -1.829  -5.298   6.789
  759    H    LYS 106           H        LYS 106   2.533  -4.345   9.565
  760    HA   LYS 106           HA       LYS 106   1.109  -2.167  10.988
  761   1HB   LYS 106          1HB       LYS 106   3.382  -1.177  11.298
  762   2HB   LYS 106          2HB       LYS 106   3.287  -2.812  11.943
  763   1HG   LYS 106          1HG       LYS 106   4.077  -2.925   9.175
  764   2HG   LYS 106          2HG       LYS 106   5.132  -1.808  10.039
  765   1HD   LYS 106          1HD       LYS 106   4.461  -4.585  11.050
  766   2HD   LYS 106          2HD       LYS 106   5.895  -4.219  10.090
  767   1HE   LYS 106          1HE       LYS 106   6.860  -2.927  11.773
  768   2HE   LYS 106          2HE       LYS 106   5.309  -2.583  12.538
  769   1HZ   LYS 106          1HZ       LYS 106   6.344  -5.339  12.421
  770   2HZ   LYS 106          3HZ       LYS 106   6.876  -4.275  13.630
  771   3HZ   LYS 106          2HZ       LYS 106   5.227  -4.661  13.506
  772    H    VAL 107           H        VAL 107  -0.021  -1.031   9.479
  773    HA   VAL 107           HA       VAL 107   1.037  -0.706   6.773
  774    HB   VAL 107           HB       VAL 107  -1.167   0.385   6.385
  775   1HG1  VAL 107          1HG1      VAL 107  -1.069  -2.123   8.009
  776   2HG1  VAL 107          3HG1      VAL 107  -2.617  -1.450   7.500
  777   3HG1  VAL 107          2HG1      VAL 107  -1.422  -1.924   6.293
  778   1HG2  VAL 107          3HG2      VAL 107  -0.863   1.013   9.127
  779   2HG2  VAL 107          2HG2      VAL 107  -2.134   1.529   8.036
  780   3HG2  VAL 107          1HG2      VAL 107  -2.314   0.039   8.962
  781    H    HIS 108           H        HIS 108   1.284   1.346   5.773
  782    HA   HIS 108           HA       HIS 108   1.362   3.808   7.335
  783   1HB   HIS 108          1HB       HIS 108   3.615   2.390   7.666
  784   2HB   HIS 108          2HB       HIS 108   4.012   3.144   6.118
  785    HD1  HIS 108           HD1      HIS 108   5.278   3.876   9.002
  786    HD2  HIS 108           HD2      HIS 108   2.376   6.042   6.935
  787    HE1  HIS 108           HE1      HIS 108   5.400   6.248   9.878
  788    H    MET 109           H        MET 109   0.240   4.945   5.802
  789    HA   MET 109           HA       MET 109   1.127   4.691   2.938
  790   1HB   MET 109          1HB       MET 109  -1.470   6.003   3.518
  791   2HB   MET 109          2HB       MET 109  -1.064   4.842   2.269
  792   1HG   MET 109          2HG       MET 109  -1.993   3.162   3.469
  793   2HG   MET 109          1HG       MET 109  -0.982   3.516   4.859
  794   1HE   MET 109          3HE       MET 109  -3.995   4.834   2.786
  795   2HE   MET 109          2HE       MET 109  -4.422   3.293   3.522
  796   3HE   MET 109          1HE       MET 109  -5.273   4.755   4.007
  797    H    LYS 110           H        LYS 110   1.406   6.708   1.681
  798    HA   LYS 110           HA       LYS 110   1.069   9.227   3.275
  799   1HB   LYS 110          1HB       LYS 110   3.522   8.092   3.262
  800   2HB   LYS 110          2HB       LYS 110   3.618   8.996   1.752
  801   1HG   LYS 110          1HG       LYS 110   2.903  11.041   2.987
  802   2HG   LYS 110          2HG       LYS 110   2.963  10.118   4.486
  803   1HD   LYS 110          1HD       LYS 110   5.103  10.960   4.527
  804   2HD   LYS 110          2HD       LYS 110   5.410   9.536   3.533
  805   1HE   LYS 110          1HE       LYS 110   4.914  10.989   1.504
  806   2HE   LYS 110          2HE       LYS 110   4.948  12.375   2.593
  807   1HZ   LYS 110          3HZ       LYS 110   7.187  10.519   2.756
  808   2HZ   LYS 110          2HZ       LYS 110   7.097  11.478   1.356
  809   3HZ   LYS 110          1HZ       LYS 110   7.167  12.210   2.888
  810    H    LYS 111           H        LYS 111   1.522  11.176   1.719
  811    HA   LYS 111           HA       LYS 111   0.048  10.659  -0.752
  812   1HB   LYS 111          1HB       LYS 111  -0.411  12.715   0.447
  813   2HB   LYS 111          2HB       LYS 111   1.288  13.181   0.392
  814   1HG   LYS 111          1HG       LYS 111   0.996  13.018  -2.201
  815   2HG   LYS 111          2HG       LYS 111  -0.729  13.107  -1.845
  816   1HD   LYS 111          1HD       LYS 111   0.155  15.131  -0.289
  817   2HD   LYS 111          2HD       LYS 111   1.372  15.187  -1.564
  818   1HE   LYS 111          1HE       LYS 111  -0.130  15.855  -3.153
  819   2HE   LYS 111          2HE       LYS 111  -1.436  14.884  -2.471
  820   1HZ   LYS 111          2HZ       LYS 111  -0.443  17.180  -0.943
  821   2HZ   LYS 111          1HZ       LYS 111  -1.454  17.474  -2.277
  822   3HZ   LYS 111          3HZ       LYS 111  -2.003  16.508  -0.995
  823    H    ALA 112           H        ALA 112   1.243   9.595  -2.271
  824    HA   ALA 112           HA       ALA 112   4.022   9.645  -2.638
  825   1HB   ALA 112          1HB       ALA 112   1.962   8.375  -3.855
  826   2HB   ALA 112          3HB       ALA 112   2.395   9.538  -5.110
  827   3HB   ALA 112          2HB       ALA 112   3.603   8.405  -4.504
  828    H    LEU 113           H        LEU 113   5.351  10.817  -4.202
  829    HA   LEU 113           HA       LEU 113   4.353  13.595  -4.594
  830   1HB   LEU 113          1HB       LEU 113   6.840  14.042  -5.061
  831   2HB   LEU 113          2HB       LEU 113   6.409  13.615  -3.404
  832    HG   LEU 113           HG       LEU 113   6.995  11.304  -5.143
  833   1HD1  LEU 113          3HD1      LEU 113   8.632  13.126  -5.883
  834   2HD1  LEU 113          2HD1      LEU 113   9.292  13.057  -4.249
  835   3HD1  LEU 113          1HD1      LEU 113   9.354  11.631  -5.285
  836   1HD2  LEU 113          1HD2      LEU 113   7.949  12.229  -2.413
  837   2HD2  LEU 113          3HD2      LEU 113   6.624  11.109  -2.722
  838   3HD2  LEU 113          2HD2      LEU 113   8.279  10.645  -3.114
  839    H    SER 114           H        SER 114   4.071  10.993  -6.371
  840    HA   SER 114           HA       SER 114   5.433  11.646  -8.820
  841   1HB   SER 114          1HB       SER 114   3.960   9.486  -7.891
  842   2HB   SER 114          2HB       SER 114   2.923  10.172  -9.138
  843    HG   SER 114           HG       SER 114   4.728  10.087 -10.550
  844    H    GLY 115           H        GLY 115   2.483  12.708  -7.314
  845   1HA   GLY 115          1HA       GLY 115   2.014  15.041  -8.577
  846   2HA   GLY 115          2HA       GLY 115   1.453  13.906  -9.808
  847    H    ASP 116           H        ASP 116   1.053  14.548  -6.305
  848    HA   ASP 116           HA       ASP 116  -0.872  14.433  -4.968
  849   1HB   ASP 116          1HB       ASP 116  -2.447  14.499  -7.550
  850   2HB   ASP 116          2HB       ASP 116  -2.945  15.079  -5.961
  851    H    SER 117           H        SER 117   0.154  12.058  -5.017
  852    HA   SER 117           HA       SER 117  -2.001  10.198  -5.938
  853   1HB   SER 117          1HB       SER 117   0.700  10.151  -6.597
  854   2HB   SER 117          2HB       SER 117   0.565   8.947  -5.319
  855    HG   SER 117           HG       SER 117  -0.837   7.812  -6.520
  856    H    TYR 118           H        TYR 118  -1.365   7.960  -4.503
  857    HA   TYR 118           HA       TYR 118  -1.065   8.672  -1.647
  858   1HB   TYR 118          1HB       TYR 118  -3.547   7.205  -2.552
  859   2HB   TYR 118          2HB       TYR 118  -3.250   7.933  -0.971
  860    HD1  TYR 118           HD2      TYR 118  -3.075  10.484  -0.847
  861    HD2  TYR 118           HD1      TYR 118  -4.538   8.365  -4.286
  862    HE1  TYR 118           HE2      TYR 118  -4.176  12.543  -1.657
  863    HE2  TYR 118           HE1      TYR 118  -5.635  10.410  -5.084
  864    HH   TYR 118           HH       TYR 118  -4.959  13.252  -4.415
  865    H    TRP 119           H        TRP 119   0.527   7.099  -1.197
  866    HA   TRP 119           HA       TRP 119  -0.057   4.394  -2.204
  867   1HB   TRP 119          1HB       TRP 119   2.348   3.875  -1.857
  868   2HB   TRP 119          2HB       TRP 119   2.005   5.037  -3.124
  869    HD1  TRP 119           HD1      TRP 119   3.367   7.161  -3.030
  870    HE1  TRP 119           HE1      TRP 119   4.902   8.298  -1.303
  871    HE3  TRP 119           HE3      TRP 119   2.469   4.170   0.860
  872    HZ2  TRP 119           HZ2      TRP 119   5.658   7.918   1.448
  873    HZ3  TRP 119           HZ3      TRP 119   3.595   4.526   3.061
  874    HH2  TRP 119           HH2      TRP 119   5.186   6.395   3.350
  875    H    VAL 120           H        VAL 120  -0.095   2.642  -0.977
  876    HA   VAL 120           HA       VAL 120  -0.089   3.106   1.973
  877    HB   VAL 120           HB       VAL 120  -1.735   1.169   0.301
  878   1HG1  VAL 120          1HG1      VAL 120  -0.987   1.154   3.101
  879   2HG1  VAL 120          3HG1      VAL 120  -2.734   1.321   2.923
  880   3HG1  VAL 120          2HG1      VAL 120  -1.899  -0.047   2.186
  881   1HG2  VAL 120          1HG2      VAL 120  -2.151   3.888   0.971
  882   2HG2  VAL 120          3HG2      VAL 120  -3.313   2.770   0.256
  883   3HG2  VAL 120          2HG2      VAL 120  -3.229   2.951   2.007
  884    H    PHE 121           H        PHE 121   1.619   2.064   2.911
  885    HA   PHE 121           HA       PHE 121   2.761  -0.282   1.503
  886   1HB   PHE 121          1HB       PHE 121   3.964   1.316   3.796
  887   2HB   PHE 121          2HB       PHE 121   4.764   0.018   2.910
  888    HD1  PHE 121           HD1      PHE 121   3.214   1.122   0.232
  889    HD2  PHE 121           HD2      PHE 121   5.945   2.750   3.117
  890    HE1  PHE 121           HE1      PHE 121   4.022   2.751  -1.459
  891    HE2  PHE 121           HE2      PHE 121   6.720   4.406   1.440
  892    HZ   PHE 121           HZ       PHE 121   5.762   4.398  -0.844
  893    H    VAL 122           H        VAL 122   2.235  -2.264   2.281
  894    HA   VAL 122           HA       VAL 122   1.353  -2.363   5.120
  895    HB   VAL 122           HB       VAL 122   0.439  -3.737   2.641
  896   1HG1  VAL 122          2HG1      VAL 122   0.910  -5.197   5.218
  897   2HG1  VAL 122          1HG1      VAL 122  -0.580  -5.525   4.342
  898   3HG1  VAL 122          3HG1      VAL 122   0.977  -5.800   3.564
  899   1HG2  VAL 122          2HG2      VAL 122  -0.610  -2.008   4.459
  900   2HG2  VAL 122          1HG2      VAL 122  -1.582  -3.060   3.429
  901   3HG2  VAL 122          3HG2      VAL 122  -1.208  -3.544   5.081
  902    H    LYS 123           H        LYS 123   2.869  -3.146   6.437
  903    HA   LYS 123           HA       LYS 123   4.856  -5.075   5.295
  904   1HB   LYS 123          1HB       LYS 123   5.423  -2.883   6.725
  905   2HB   LYS 123          2HB       LYS 123   5.172  -4.009   8.060
  906   1HG   LYS 123          1HG       LYS 123   7.065  -5.160   7.602
  907   2HG   LYS 123          2HG       LYS 123   6.771  -5.123   5.863
  908   1HD   LYS 123          1HD       LYS 123   7.615  -2.854   5.711
  909   2HD   LYS 123          2HD       LYS 123   7.754  -2.758   7.466
  910   1HE   LYS 123          1HE       LYS 123   9.335  -4.583   5.641
  911   2HE   LYS 123          2HE       LYS 123   9.956  -3.211   6.559
  912   1HZ   LYS 123          2HZ       LYS 123   9.105  -4.421   8.585
  913   2HZ   LYS 123          1HZ       LYS 123   8.923  -5.786   7.591
  914   3HZ   LYS 123          3HZ       LYS 123  10.459  -5.104   7.820
  915    H    ARG 124           H        ARG 124   4.843  -7.198   5.995
  916    HA   ARG 124           HA       ARG 124   2.559  -8.059   7.575
  917   1HB   ARG 124          1HB       ARG 124   3.733  -9.385   5.709
  918   2HB   ARG 124          2HB       ARG 124   4.979  -9.752   6.904
  919   1HG   ARG 124          1HG       ARG 124   3.640 -11.197   8.043
  920   2HG   ARG 124          2HG       ARG 124   2.213 -10.179   7.841
  921   1HD   ARG 124          1HD       ARG 124   1.717 -12.076   6.532
  922   2HD   ARG 124          2HD       ARG 124   2.304 -10.904   5.353
  923    HE   ARG 124           HE       ARG 124   4.406 -12.137   5.252
  924   1HH1  ARG 124          1HH2      ARG 124   3.110 -13.225   8.089
  925   2HH1  ARG 124          2HH2      ARG 124   3.295 -14.915   7.759
  926   1HH2  ARG 124          2HH1      ARG 124   4.145 -14.439   4.428
  927   2HH2  ARG 124          1HH1      ARG 124   3.873 -15.605   5.680
  928    H    VAL 125           H        VAL 125   2.463  -7.928   9.725
  929    HA   VAL 125           HA       VAL 125   4.870  -7.516  11.331
  930    HB   VAL 125           HB       VAL 125   2.257  -8.123  12.656
  931   1HG1  VAL 125          2HG1      VAL 125   4.705  -6.541  13.066
  932   2HG1  VAL 125          1HG1      VAL 125   3.222  -5.726  13.566
  933   3HG1  VAL 125          3HG1      VAL 125   3.639  -7.297  14.250
  934   1HG2  VAL 125          3HG2      VAL 125   2.659  -5.964  10.646
  935   2HG2  VAL 125          2HG2      VAL 125   1.170  -6.749  11.174
  936   3HG2  VAL 125          1HG2      VAL 125   1.901  -5.489  12.165
  937    H2   HC4  69           H2       HC4  69  -6.741  -4.834   3.034
  938    H3   HC4  69           H3       HC4  69  -7.712  -6.950   1.052
  939    H2'  HC4  69           H2'      HC4  69  -5.893  -7.600  -0.553
  940    H3'  HC4  69           H3'      HC4  69  -3.543  -7.434  -1.352
  941    H5'  HC4  69           H5'      HC4  69  -2.733  -4.418   1.611
  942    H6'  HC4  69           H6'      HC4  69  -5.059  -4.597   2.412
   
  No H/Q in entry =         942
  Start of MODEL   11
    1   1H    MET   1           H3       MET   1  20.994 -10.012   9.939
    2   2H    MET   1           H2       MET   1  22.129  -8.887   9.364
    3   3H    MET   1           H1       MET   1  22.164  -9.378  10.989
    4    HA   MET   1           HA       MET   1  21.002  -7.535  11.409
    5   1HB   MET   1          1HB       MET   1  19.840  -6.272   9.616
    6   2HB   MET   1          2HB       MET   1  21.506  -6.646   9.172
    7   1HG   MET   1          2HG       MET   1  20.460  -8.794   8.100
    8   2HG   MET   1          1HG       MET   1  18.959  -7.870   8.149
    9   1HE   MET   1          2HE       MET   1  18.185  -7.248   6.438
   10   2HE   MET   1          1HE       MET   1  18.774  -6.094   5.242
   11   3HE   MET   1          3HE       MET   1  19.053  -7.826   5.017
   12    H    GLU   2           H        GLU   2  18.486  -6.793  11.156
   13    HA   GLU   2           HA       GLU   2  16.549  -8.838  10.630
   14   1HB   GLU   2          1HB       GLU   2  15.941  -9.434  12.938
   15   2HB   GLU   2          2HB       GLU   2  17.604  -9.909  12.597
   16   1HG   GLU   2          1HG       GLU   2  18.476  -7.998  13.771
   17   2HG   GLU   2          2HG       GLU   2  16.869  -7.287  13.922
   18    H    HIS   3           H        HIS   3  14.368  -8.187  11.697
   19    HA   HIS   3           HA       HIS   3  12.749  -6.519  12.028
   20   1HB   HIS   3          1HB       HIS   3  14.613  -6.030  13.899
   21   2HB   HIS   3          2HB       HIS   3  14.803  -4.559  12.946
   22    HD1  HIS   3           HD1      HIS   3  13.735  -3.756  15.469
   23    HD2  HIS   3           HD2      HIS   3  11.175  -5.426  12.635
   24    HE1  HIS   3           HE1      HIS   3  11.391  -3.050  16.118
   25    H    VAL   4           H        VAL   4  12.248  -6.031   9.865
   26    HA   VAL   4           HA       VAL   4  13.989  -4.391   8.228
   27    HB   VAL   4           HB       VAL   4  11.075  -5.136   7.832
   28   1HG1  VAL   4          2HG1      VAL   4  13.173  -3.865   6.070
   29   2HG1  VAL   4          1HG1      VAL   4  11.798  -4.731   5.384
   30   3HG1  VAL   4          3HG1      VAL   4  11.530  -3.309   6.392
   31   1HG2  VAL   4          1HG2      VAL   4  13.553  -6.640   7.618
   32   2HG2  VAL   4          3HG2      VAL   4  11.890  -7.207   7.455
   33   3HG2  VAL   4          2HG2      VAL   4  12.735  -6.541   6.058
   34    H    ALA   5           H        ALA   5  13.338  -2.301   7.371
   35    HA   ALA   5           HA       ALA   5  12.154  -0.588   9.485
   36   1HB   ALA   5          1HB       ALA   5  13.866  -0.116   7.051
   37   2HB   ALA   5          3HB       ALA   5  12.975   1.224   7.775
   38   3HB   ALA   5          2HB       ALA   5  14.176   0.346   8.725
   39    H    PHE   6           H        PHE   6  10.076   0.275   9.234
   40    HA   PHE   6           HA       PHE   6   8.452  -0.513   7.012
   41   1HB   PHE   6          1HB       PHE   6   7.807   0.589   9.387
   42   2HB   PHE   6          2HB       PHE   6   7.737   2.033   8.375
   43    HD1  PHE   6           HD2      PHE   6   7.056   0.115   5.818
   44    HD2  PHE   6           HD1      PHE   6   5.324   0.798   9.704
   45    HE1  PHE   6           HE2      PHE   6   4.861  -0.627   4.974
   46    HE2  PHE   6           HE1      PHE   6   3.127   0.052   8.837
   47    HZ   PHE   6           HZ       PHE   6   2.908  -0.664   6.477
   48    H    GLY   7           H        GLY   7   9.784   2.729   7.816
   49   1HA   GLY   7          1HA       GLY   7   9.273   3.944   5.298
   50   2HA   GLY   7          2HA       GLY   7  10.614   4.396   6.363
   51    H    SER   8           H        SER   8  11.603   1.605   6.373
   52    HA   SER   8           HA       SER   8  13.309   0.443   5.272
   53   1HB   SER   8          1HB       SER   8  10.858   0.226   3.953
   54   2HB   SER   8          2HB       SER   8  12.029   0.520   2.668
   55    HG   SER   8           HG       SER   8  12.128  -1.475   4.693
   56    H    GLU   9           H        GLU   9  14.049   0.429   2.649
   57    HA   GLU   9           HA       GLU   9  15.925   2.595   2.494
   58   1HB   GLU   9          1HB       GLU   9  15.495   0.065   1.344
   59   2HB   GLU   9          2HB       GLU   9  15.466   1.193  -0.008
   60   1HG   GLU   9          1HG       GLU   9  17.589   2.069   1.613
   61   2HG   GLU   9          2HG       GLU   9  17.729   0.310   1.589
   62    H    ASP  10           H        ASP  10  14.239   4.426   2.550
   63    HA   ASP  10           HA       ASP  10  12.729   5.934   1.514
   64   1HB   ASP  10          1HB       ASP  10  15.074   5.511  -0.318
   65   2HB   ASP  10          2HB       ASP  10  13.763   6.583  -0.815
   66    H    ILE  11           H        ILE  11  10.867   4.449   1.249
   67    HA   ILE  11           HA       ILE  11  10.654   2.726  -1.005
   68    HB   ILE  11           HB       ILE  11   8.219   3.933   0.037
   69   1HG1  ILE  11          1HG1      ILE  11   9.475   3.696   2.127
   70   2HG1  ILE  11          2HG1      ILE  11   8.210   2.481   2.030
   71   1HG2  ILE  11          3HG2      ILE  11   8.646   1.963  -1.628
   72   2HG2  ILE  11          2HG2      ILE  11   8.802   1.033  -0.142
   73   3HG2  ILE  11          1HG2      ILE  11   7.305   1.893  -0.488
   74   1HD1  ILE  11          3HD1      ILE  11  10.198   1.134   0.817
   75   2HD1  ILE  11          2HD1      ILE  11  11.148   2.143   1.906
   76   3HD1  ILE  11          1HD1      ILE  11   9.904   1.072   2.551
   77    H    GLU  12           H        GLU  12   8.805   5.704  -0.432
   78    HA   GLU  12           HA       GLU  12   7.694   6.133  -2.855
   79   1HB   GLU  12          1HB       GLU  12   7.913   8.580  -2.474
   80   2HB   GLU  12          2HB       GLU  12   7.458   7.716  -1.004
   81   1HG   GLU  12          1HG       GLU  12  10.135   7.598  -0.748
   82   2HG   GLU  12          2HG       GLU  12  10.012   9.090  -1.680
   83    H    ASN  13           H        ASN  13  11.146   6.475  -2.228
   84    HA   ASN  13           HA       ASN  13  11.719   7.727  -4.803
   85   1HB   ASN  13          1HB       ASN  13  13.194   7.890  -2.746
   86   2HB   ASN  13          2HB       ASN  13  13.623   6.200  -3.005
   87   1HD2  ASN  13          2HD2      ASN  13  15.541   6.895  -5.976
   88   2HD2  ASN  13          1HD2      ASN  13  14.580   5.700  -5.248
   89    H    THR  14           H        THR  14  12.160   4.463  -3.439
   90    HA   THR  14           HA       THR  14  13.018   3.232  -5.893
   91    HB   THR  14           HB       THR  14  11.890   2.201  -3.283
   92    HG1  THR  14           HG1      THR  14  14.393   1.801  -4.539
   93   1HG2  THR  14          1HG2      THR  14  12.750   0.550  -5.680
   94   2HG2  THR  14          3HG2      THR  14  12.447  -0.095  -4.066
   95   3HG2  THR  14          2HG2      THR  14  11.128   0.624  -4.991
   96    H    LEU  15           H        LEU  15   9.936   4.290  -4.824
   97    HA   LEU  15           HA       LEU  15   8.504   2.402  -6.590
   98   1HB   LEU  15          1HB       LEU  15   7.311   4.578  -4.848
   99   2HB   LEU  15          2HB       LEU  15   6.494   3.169  -5.514
  100    HG   LEU  15           HG       LEU  15   8.806   2.868  -3.617
  101   1HD1  LEU  15          1HD1      LEU  15   6.117   3.897  -3.085
  102   2HD1  LEU  15          3HD1      LEU  15   6.489   2.453  -2.151
  103   3HD1  LEU  15          2HD1      LEU  15   7.526   3.866  -2.031
  104   1HD2  LEU  15          1HD2      LEU  15   7.832   0.953  -5.013
  105   2HD2  LEU  15          3HD2      LEU  15   7.902   0.692  -3.271
  106   3HD2  LEU  15          2HD2      LEU  15   6.374   1.129  -4.035
  107    H    ALA  16           H        ALA  16   9.541   5.726  -6.384
  108    HA   ALA  16           HA       ALA  16   7.884   6.475  -8.725
  109   1HB   ALA  16          1HB       ALA  16   8.489   7.908  -6.525
  110   2HB   ALA  16          3HB       ALA  16   9.839   8.387  -7.554
  111   3HB   ALA  16          2HB       ALA  16   8.182   8.662  -8.090
  112    H    LYS  17           H        LYS  17  11.009   5.251  -8.096
  113    HA   LYS  17           HA       LYS  17  11.876   6.173 -10.802
  114   1HB   LYS  17          1HB       LYS  17  13.243   6.415  -8.205
  115   2HB   LYS  17          2HB       LYS  17  14.245   5.731  -9.486
  116   1HG   LYS  17          1HG       LYS  17  12.609   8.250  -9.854
  117   2HG   LYS  17          2HG       LYS  17  14.290   8.270  -9.319
  118   1HD   LYS  17          1HD       LYS  17  15.013   7.992 -11.431
  119   2HD   LYS  17          2HD       LYS  17  14.022   6.546 -11.617
  120   1HE   LYS  17          1HE       LYS  17  13.133   7.959 -13.258
  121   2HE   LYS  17          2HE       LYS  17  12.051   8.249 -11.895
  122   1HZ   LYS  17          1HZ       LYS  17  14.426   9.903 -11.965
  123   2HZ   LYS  17          3HZ       LYS  17  13.329  10.178 -13.229
  124   3HZ   LYS  17          2HZ       LYS  17  12.817  10.322 -11.615
  125    H    MET  18           H        MET  18  10.634   3.889 -10.938
  126    HA   MET  18           HA       MET  18  12.798   1.926 -11.316
  127   1HB   MET  18          1HB       MET  18  12.326   0.847  -9.385
  128   2HB   MET  18          2HB       MET  18  10.889   1.816  -9.113
  129   1HG   MET  18          2HG       MET  18  10.887  -0.474 -11.089
  130   2HG   MET  18          1HG       MET  18  10.593  -0.745  -9.372
  131   1HE   MET  18          3HE       MET  18   9.330   0.875  -8.077
  132   2HE   MET  18          2HE       MET  18   8.697   2.331  -8.843
  133   3HE   MET  18          1HE       MET  18   7.595   1.033  -8.389
  134    H    ASP  19           H        ASP  19  12.093   0.167 -12.778
  135    HA   ASP  19           HA       ASP  19  10.067   1.161 -14.680
  136   1HB   ASP  19          1HB       ASP  19  12.286   0.277 -15.456
  137   2HB   ASP  19          2HB       ASP  19  11.809  -1.317 -14.869
  138    H    ASP  20           H        ASP  20  10.720  -2.015 -13.134
  139    HA   ASP  20           HA       ASP  20   8.145  -2.420 -12.079
  140   1HB   ASP  20          1HB       ASP  20   8.297  -2.767 -14.982
  141   2HB   ASP  20          2HB       ASP  20   7.734  -4.224 -14.162
  142    H    GLY  21           H        GLY  21   9.001  -3.688 -10.518
  143   1HA   GLY  21          1HA       GLY  21   9.417  -6.076  -9.943
  144   2HA   GLY  21          2HA       GLY  21  10.433  -6.167 -11.385
  145    H    GLN  22           H        GLN  22  10.568  -3.286  -9.457
  146    HA   GLN  22           HA       GLN  22  13.298  -4.086  -8.566
  147   1HB   GLN  22          1HB       GLN  22  12.349  -1.779  -9.886
  148   2HB   GLN  22          2HB       GLN  22  12.717  -1.274  -8.238
  149   1HG   GLN  22          1HG       GLN  22  14.970  -1.948  -8.404
  150   2HG   GLN  22          2HG       GLN  22  14.650  -2.979  -9.798
  151   1HE2  GLN  22          2HE2      GLN  22  15.003   1.079 -10.381
  152   2HE2  GLN  22          1HE2      GLN  22  14.600   0.496  -8.838
  153    H    LEU  23           H        LEU  23  10.129  -3.176  -7.476
  154    HA   LEU  23           HA       LEU  23  11.191  -2.885  -4.695
  155   1HB   LEU  23          1HB       LEU  23   9.101  -1.728  -4.171
  156   2HB   LEU  23          2HB       LEU  23   9.862  -0.968  -5.570
  157    HG   LEU  23           HG       LEU  23   8.145  -3.137  -6.420
  158   1HD1  LEU  23          2HD1      LEU  23   6.964  -1.031  -4.600
  159   2HD1  LEU  23          1HD1      LEU  23   5.998  -1.908  -5.785
  160   3HD1  LEU  23          3HD1      LEU  23   6.798  -2.781  -4.478
  161   1HD2  LEU  23          3HD2      LEU  23   9.013  -1.132  -7.716
  162   2HD2  LEU  23          2HD2      LEU  23   7.286  -1.442  -7.895
  163   3HD2  LEU  23          1HD2      LEU  23   7.846  -0.150  -6.832
  164    H    ASP  24           H        ASP  24  10.478  -5.410  -6.317
  165    HA   ASP  24           HA       ASP  24   8.205  -6.471  -4.766
  166   1HB   ASP  24          1HB       ASP  24   8.482  -8.480  -6.143
  167   2HB   ASP  24          2HB       ASP  24   8.463  -7.044  -7.167
  168    H    GLY  25           H        GLY  25  11.474  -6.102  -4.170
  169   1HA   GLY  25          1HA       GLY  25  11.691  -8.655  -2.662
  170   2HA   GLY  25          2HA       GLY  25  13.040  -7.585  -3.048
  171    H    LEU  26           H        LEU  26   9.933  -6.530  -1.766
  172    HA   LEU  26           HA       LEU  26  11.358  -5.642   0.693
  173   1HB   LEU  26          1HB       LEU  26   8.795  -4.429  -0.343
  174   2HB   LEU  26          2HB       LEU  26   9.966  -3.729   0.774
  175    HG   LEU  26           HG       LEU  26  10.604  -4.368  -2.118
  176   1HD1  LEU  26          3HD1      LEU  26   9.606  -1.824  -0.817
  177   2HD1  LEU  26          2HD1      LEU  26  10.465  -1.826  -2.357
  178   3HD1  LEU  26          1HD1      LEU  26   8.923  -2.667  -2.207
  179   1HD2  LEU  26          1HD2      LEU  26  12.266  -3.887   0.023
  180   2HD2  LEU  26          3HD2      LEU  26  12.686  -3.579  -1.661
  181   3HD2  LEU  26          2HD2      LEU  26  12.066  -2.270  -0.654
  182    H    ALA  27           H        ALA  27  10.561  -6.312   2.599
  183    HA   ALA  27           HA       ALA  27   8.569  -8.397   2.730
  184   1HB   ALA  27          1HB       ALA  27  10.584  -7.625   4.377
  185   2HB   ALA  27          3HB       ALA  27   9.209  -6.905   5.214
  186   3HB   ALA  27          2HB       ALA  27   9.243  -8.641   4.903
  187    H    PHE  28           H        PHE  28   8.237  -5.064   2.407
  188    HA   PHE  28           HA       PHE  28   5.494  -5.181   3.549
  189   1HB   PHE  28          1HB       PHE  28   5.755  -2.635   3.786
  190   2HB   PHE  28          2HB       PHE  28   6.692  -3.607   4.918
  191    HD1  PHE  28           HD2      PHE  28   9.137  -4.093   4.411
  192    HD2  PHE  28           HD1      PHE  28   6.831  -1.245   2.183
  193    HE1  PHE  28           HE2      PHE  28  11.229  -3.140   3.477
  194    HE2  PHE  28           HE1      PHE  28   8.921  -0.294   1.238
  195    HZ   PHE  28           HZ       PHE  28  11.137  -1.236   1.881
  196    H    GLY  29           H        GLY  29   4.124  -5.228   1.859
  197   1HA   GLY  29          1HA       GLY  29   4.719  -4.684  -0.822
  198   2HA   GLY  29          2HA       GLY  29   3.101  -4.589  -0.138
  199    H    ALA  30           H        ALA  30   4.108  -2.787  -2.169
  200    HA   ALA  30           HA       ALA  30   3.738  -0.296  -0.610
  201   1HB   ALA  30          3HB       ALA  30   6.229  -0.666  -1.105
  202   2HB   ALA  30          2HB       ALA  30   5.821  -0.424  -2.805
  203   3HB   ALA  30          1HB       ALA  30   5.549   0.871  -1.639
  204    H    ILE  31           H        ILE  31   1.702   0.069  -1.402
  205    HA   ILE  31           HA       ILE  31   1.293  -0.145  -4.330
  206    HB   ILE  31           HB       ILE  31  -0.980  -0.455  -3.933
  207   1HG1  ILE  31          1HG1      ILE  31  -1.747   0.223  -1.388
  208   2HG1  ILE  31          2HG1      ILE  31  -0.568   1.479  -1.740
  209   1HG2  ILE  31          2HG2      ILE  31   0.348  -1.331  -1.361
  210   2HG2  ILE  31          1HG2      ILE  31  -1.245  -1.857  -1.893
  211   3HG2  ILE  31          3HG2      ILE  31   0.180  -2.275  -2.837
  212   1HD1  ILE  31          2HD1      ILE  31  -1.911   1.486  -4.076
  213   2HD1  ILE  31          1HD1      ILE  31  -3.204   0.958  -3.002
  214   3HD1  ILE  31          3HD1      ILE  31  -2.384   2.490  -2.705
  215    H    GLN  32           H        GLN  32  -0.274   1.555  -5.213
  216    HA   GLN  32           HA       GLN  32   0.156   4.237  -4.049
  217   1HB   GLN  32          1HB       GLN  32   0.403   4.647  -6.817
  218   2HB   GLN  32          2HB       GLN  32   1.662   4.852  -5.614
  219   1HG   GLN  32          1HG       GLN  32   1.140   2.092  -6.686
  220   2HG   GLN  32          2HG       GLN  32   2.041   3.237  -7.680
  221   1HE2  GLN  32          2HE2      GLN  32   4.035   1.372  -4.816
  222   2HE2  GLN  32          1HE2      GLN  32   2.593   0.816  -5.517
  223    H    LEU  33           H        LEU  33  -1.374   5.832  -5.183
  224    HA   LEU  33           HA       LEU  33  -3.641   4.477  -6.544
  225   1HB   LEU  33          1HB       LEU  33  -3.750   5.811  -3.840
  226   2HB   LEU  33          2HB       LEU  33  -5.172   5.794  -4.880
  227    HG   LEU  33           HG       LEU  33  -3.623   3.303  -4.111
  228   1HD1  LEU  33          2HD1      LEU  33  -5.371   4.893  -2.519
  229   2HD1  LEU  33          1HD1      LEU  33  -6.260   3.440  -2.977
  230   3HD1  LEU  33          3HD1      LEU  33  -4.714   3.302  -2.140
  231   1HD2  LEU  33          2HD2      LEU  33  -5.993   3.939  -5.785
  232   2HD2  LEU  33          1HD2      LEU  33  -4.827   2.628  -5.947
  233   3HD2  LEU  33          3HD2      LEU  33  -6.128   2.511  -4.761
  234    H    ASP  34           H        ASP  34  -5.050   6.026  -7.628
  235    HA   ASP  34           HA       ASP  34  -3.858   8.757  -7.841
  236   1HB   ASP  34          1HB       ASP  34  -4.942   8.780 -10.149
  237   2HB   ASP  34          2HB       ASP  34  -3.562   7.699  -9.966
  238    H    GLY  35           H        GLY  35  -5.137  10.363  -7.278
  239   1HA   GLY  35          1HA       GLY  35  -7.198  10.716  -5.778
  240   2HA   GLY  35          2HA       GLY  35  -7.180  11.657  -7.263
  241    H    ASP  36           H        ASP  36  -8.284   8.647  -5.875
  242    HA   ASP  36           HA       ASP  36 -10.970   8.731  -6.509
  243   1HB   ASP  36          1HB       ASP  36  -9.365   8.292  -8.918
  244   2HB   ASP  36          2HB       ASP  36 -10.522   6.988  -8.643
  245    H    GLY  37           H        GLY  37  -8.050   6.874  -6.231
  246   1HA   GLY  37          1HA       GLY  37  -7.886   5.058  -4.645
  247   2HA   GLY  37          2HA       GLY  37  -9.593   4.709  -4.915
  248    H    ASN  38           H        ASN  38  -7.744   5.463  -7.742
  249    HA   ASN  38           HA       ASN  38  -8.068   2.652  -8.635
  250   1HB   ASN  38          1HB       ASN  38  -8.056   5.139  -9.952
  251   2HB   ASN  38          2HB       ASN  38  -6.579   4.329 -10.474
  252   1HD2  ASN  38          2HD2      ASN  38  -8.280   1.891 -12.393
  253   2HD2  ASN  38          1HD2      ASN  38  -6.784   2.438 -11.803
  254    H    ILE  39           H        ILE  39  -6.206   1.358  -9.302
  255    HA   ILE  39           HA       ILE  39  -3.926   1.856  -7.541
  256    HB   ILE  39           HB       ILE  39  -5.025  -0.461  -8.443
  257   1HG1  ILE  39          1HG1      ILE  39  -2.734  -1.492  -7.803
  258   2HG1  ILE  39          2HG1      ILE  39  -2.219   0.174  -7.537
  259   1HG2  ILE  39          2HG2      ILE  39  -2.614  -0.020 -10.226
  260   2HG2  ILE  39          1HG2      ILE  39  -3.407  -1.563  -9.965
  261   3HG2  ILE  39          3HG2      ILE  39  -4.281  -0.253 -10.752
  262   1HD1  ILE  39          1HD1      ILE  39  -4.623   0.138  -6.216
  263   2HD1  ILE  39          3HD1      ILE  39  -4.044  -1.506  -5.935
  264   3HD1  ILE  39          2HD1      ILE  39  -3.060  -0.129  -5.443
  265    H    LEU  40           H        LEU  40  -1.863   2.258  -8.017
  266    HA   LEU  40           HA       LEU  40  -1.212   3.064 -10.819
  267   1HB   LEU  40          1HB       LEU  40   0.500   3.991  -8.554
  268   2HB   LEU  40          2HB       LEU  40   0.140   4.791 -10.076
  269    HG   LEU  40           HG       LEU  40  -1.768   4.521  -7.733
  270   1HD1  LEU  40          3HD1      LEU  40   0.344   6.331  -8.203
  271   2HD1  LEU  40          2HD1      LEU  40  -1.132   7.205  -8.616
  272   3HD1  LEU  40          1HD1      LEU  40  -0.947   6.493  -7.013
  273   1HD2  LEU  40          3HD2      LEU  40  -2.555   4.603 -10.284
  274   2HD2  LEU  40          2HD2      LEU  40  -3.395   5.519  -9.034
  275   3HD2  LEU  40          1HD2      LEU  40  -2.221   6.323 -10.076
  276    H    GLN  41           H        GLN  41  -0.317   1.347  -7.869
  277    HA   GLN  41           HA       GLN  41   1.097  -0.657  -9.330
  278   1HB   GLN  41          1HB       GLN  41   2.794   1.256  -9.286
  279   2HB   GLN  41          2HB       GLN  41   2.878   1.012  -7.545
  280   1HG   GLN  41          1HG       GLN  41   4.666  -0.197  -8.903
  281   2HG   GLN  41          2HG       GLN  41   3.737  -1.214  -7.802
  282   1HE2  GLN  41          2HE2      GLN  41   2.251  -1.500 -11.583
  283   2HE2  GLN  41          1HE2      GLN  41   2.400   0.012 -10.847
  284    H    TYR  42           H        TYR  42   1.902  -2.402  -7.915
  285    HA   TYR  42           HA       TYR  42   0.850  -2.245  -5.121
  286   1HB   TYR  42          1HB       TYR  42  -0.694  -3.421  -6.880
  287   2HB   TYR  42          2HB       TYR  42   0.485  -4.731  -6.791
  288    HD1  TYR  42           HD1      TYR  42  -1.488  -2.474  -4.542
  289    HD2  TYR  42           HD2      TYR  42   0.207  -6.378  -5.145
  290    HE1  TYR  42           HE1      TYR  42  -2.470  -3.235  -2.398
  291    HE2  TYR  42           HE2      TYR  42  -0.778  -7.126  -2.995
  292    HH   TYR  42           HH       TYR  42  -1.900  -6.517  -1.168
  293    H    ASN  43           H        ASN  43   2.603  -4.377  -7.375
  294    HA   ASN  43           HA       ASN  43   4.820  -5.171  -7.205
  295   1HB   ASN  43          1HB       ASN  43   6.222  -4.616  -5.498
  296   2HB   ASN  43          2HB       ASN  43   4.966  -3.437  -5.154
  297   1HD2  ASN  43          2HD2      ASN  43   5.894  -5.439  -2.067
  298   2HD2  ASN  43          1HD2      ASN  43   6.832  -4.620  -3.213
  299    H    ALA  44           H        ALA  44   5.819  -7.169  -5.829
  300    HA   ALA  44           HA       ALA  44   3.610  -9.137  -5.871
  301   1HB   ALA  44          3HB       ALA  44   5.789  -9.396  -7.175
  302   2HB   ALA  44          2HB       ALA  44   6.552  -9.749  -5.623
  303   3HB   ALA  44          1HB       ALA  44   5.266 -10.792  -6.234
  304    H    ALA  45           H        ALA  45   5.740  -7.702  -3.462
  305    HA   ALA  45           HA       ALA  45   5.743  -9.805  -1.560
  306   1HB   ALA  45          1HB       ALA  45   6.752  -7.291  -1.533
  307   2HB   ALA  45          3HB       ALA  45   5.351  -7.056  -0.487
  308   3HB   ALA  45          2HB       ALA  45   6.569  -8.259  -0.070
  309    H    GLU  46           H        GLU  46   3.605  -6.989  -1.338
  310    HA   GLU  46           HA       GLU  46   1.761  -8.242   0.444
  311   1HB   GLU  46          1HB       GLU  46   0.166  -6.396  -0.436
  312   2HB   GLU  46          2HB       GLU  46   1.635  -5.902   0.382
  313   1HG   GLU  46          1HG       GLU  46   2.750  -5.559  -1.769
  314   2HG   GLU  46          2HG       GLU  46   1.295  -6.047  -2.612
  315    HE2  GLU  46           HE1      GLU  46   1.902  -2.404  -1.593
  316    H    GLY  47           H        GLY  47   1.743  -7.832  -3.041
  317   1HA   GLY  47          1HA       GLY  47  -0.816  -9.000  -3.520
  318   2HA   GLY  47          2HA       GLY  47   0.500  -8.955  -4.701
  319    H    ASP  48           H        ASP  48   2.158 -10.431  -2.489
  320    HA   ASP  48           HA       ASP  48   1.448 -13.118  -3.465
  321   1HB   ASP  48          1HB       ASP  48   3.827 -12.460  -3.247
  322   2HB   ASP  48          2HB       ASP  48   3.600 -12.227  -1.513
  323    H    ILE  49           H        ILE  49   1.147 -11.177  -0.578
  324    HA   ILE  49           HA       ILE  49   0.392 -13.341   1.170
  325    HB   ILE  49           HB       ILE  49   0.904 -10.543   1.334
  326   1HG1  ILE  49          1HG1      ILE  49   2.028 -12.354   2.579
  327   2HG1  ILE  49          2HG1      ILE  49   1.409 -11.104   3.658
  328   1HG2  ILE  49          3HG2      ILE  49  -1.648 -11.433   2.672
  329   2HG2  ILE  49          2HG2      ILE  49  -0.713 -10.043   3.222
  330   3HG2  ILE  49          1HG2      ILE  49  -1.415 -10.048   1.606
  331   1HD1  ILE  49          2HD1      ILE  49  -0.690 -12.980   3.263
  332   2HD1  ILE  49          1HD1      ILE  49   0.770 -13.902   3.624
  333   3HD1  ILE  49          3HD1      ILE  49   0.210 -12.662   4.746
  334    H    THR  50           H        THR  50  -1.524 -10.679  -0.289
  335    HA   THR  50           HA       THR  50  -3.999 -12.218   0.244
  336    HB   THR  50           HB       THR  50  -5.201 -10.263  -0.361
  337    HG1  THR  50           HG1      THR  50  -3.010  -8.824  -1.258
  338   1HG2  THR  50          3HG2      THR  50  -3.350 -10.204   1.633
  339   2HG2  THR  50          2HG2      THR  50  -2.868  -8.790   0.695
  340   3HG2  THR  50          1HG2      THR  50  -4.509  -8.910   1.328
  341    H    GLY  51           H        GLY  51  -1.736 -12.035  -2.261
  342   1HA   GLY  51          1HA       GLY  51  -1.871 -13.304  -4.273
  343   2HA   GLY  51          2HA       GLY  51  -3.615 -13.395  -4.055
  344    H    ARG  52           H        ARG  52  -3.128 -10.258  -3.464
  345    HA   ARG  52           HA       ARG  52  -4.235  -9.267  -5.853
  346   1HB   ARG  52          1HB       ARG  52  -2.868  -8.127  -3.518
  347   2HB   ARG  52          2HB       ARG  52  -2.702  -7.155  -4.974
  348   1HG   ARG  52          1HG       ARG  52  -5.381  -7.852  -5.014
  349   2HG   ARG  52          2HG       ARG  52  -5.070  -7.605  -3.303
  350   1HD   ARG  52          1HD       ARG  52  -3.737  -5.537  -4.744
  351   2HD   ARG  52          2HD       ARG  52  -5.389  -5.631  -5.328
  352    HE   ARG  52           HE       ARG  52  -5.814  -5.590  -2.650
  353   1HH1  ARG  52          2HH1      ARG  52  -4.335  -3.527  -4.956
  354   2HH1  ARG  52          1HH1      ARG  52  -4.064  -2.236  -3.834
  355   1HH2  ARG  52          1HH2      ARG  52  -5.187  -4.008  -1.085
  356   2HH2  ARG  52          2HH2      ARG  52  -4.539  -2.509  -1.656
  357    H    ASP  53           H        ASP  53  -3.128 -10.183  -7.655
  358    HA   ASP  53           HA       ASP  53  -0.274  -9.920  -8.023
  359   1HB   ASP  53          1HB       ASP  53  -2.559 -10.924  -9.554
  360   2HB   ASP  53          2HB       ASP  53  -1.395 -10.075 -10.572
  361    HA   PRO  54           HA       PRO  54  -0.099  -5.769  -9.410
  362   1HB   PRO  54          1HB       PRO  54   1.861  -5.886 -11.337
  363   2HB   PRO  54          2HB       PRO  54   2.182  -5.974  -9.598
  364   1HG   PRO  54          1HG       PRO  54   2.226  -8.159 -11.628
  365   2HG   PRO  54          2HG       PRO  54   3.113  -8.029 -10.100
  366   1HD   PRO  54          1HD       PRO  54   0.799  -9.592 -10.535
  367   2HD   PRO  54          2HD       PRO  54   1.487  -9.169  -8.952
  368    H    LYS  55           H        LYS  55   0.239  -7.806 -12.354
  369    HA   LYS  55           HA       LYS  55  -1.051  -5.899 -14.057
  370   1HB   LYS  55          1HB       LYS  55   0.307  -8.311 -14.402
  371   2HB   LYS  55          2HB       LYS  55  -1.336  -8.665 -14.941
  372   1HG   LYS  55          1HG       LYS  55  -1.272  -6.661 -16.401
  373   2HG   LYS  55          2HG       LYS  55   0.392  -6.363 -15.896
  374   1HD   LYS  55          1HD       LYS  55   0.724  -8.881 -16.658
  375   2HD   LYS  55          2HD       LYS  55  -0.696  -8.537 -17.644
  376   1HE   LYS  55          1HE       LYS  55   1.285  -6.385 -17.733
  377   2HE   LYS  55          2HE       LYS  55   1.921  -7.920 -18.323
  378   1HZ   LYS  55          2HZ       LYS  55   0.010  -8.102 -19.794
  379   2HZ   LYS  55          1HZ       LYS  55  -0.587  -6.615 -19.231
  380   3HZ   LYS  55          3HZ       LYS  55   0.869  -6.667 -20.096
  381    H    GLN  56           H        GLN  56  -2.321  -8.193 -11.804
  382    HA   GLN  56           HA       GLN  56  -4.951  -8.224 -13.147
  383   1HB   GLN  56          1HB       GLN  56  -3.598  -9.908 -11.239
  384   2HB   GLN  56          2HB       GLN  56  -5.148  -9.394 -10.571
  385   1HG   GLN  56          1HG       GLN  56  -6.068 -11.035 -11.827
  386   2HG   GLN  56          2HG       GLN  56  -5.763  -9.987 -13.212
  387   1HE2  GLN  56          2HE2      GLN  56  -4.097 -13.324 -13.774
  388   2HE2  GLN  56          1HE2      GLN  56  -5.693 -12.862 -13.428
  389    H    VAL  57           H        VAL  57  -3.361  -6.727 -10.381
  390    HA   VAL  57           HA       VAL  57  -5.906  -5.568  -9.462
  391    HB   VAL  57           HB       VAL  57  -4.554  -4.441  -7.751
  392   1HG1  VAL  57          1HG1      VAL  57  -4.197  -7.386  -8.191
  393   2HG1  VAL  57          3HG1      VAL  57  -3.497  -6.599  -6.776
  394   3HG1  VAL  57          2HG1      VAL  57  -5.241  -6.553  -7.040
  395   1HG2  VAL  57          2HG2      VAL  57  -2.379  -5.276  -9.571
  396   2HG2  VAL  57          1HG2      VAL  57  -2.485  -3.869  -8.515
  397   3HG2  VAL  57          3HG2      VAL  57  -2.035  -5.441  -7.850
  398    H    ILE  58           H        ILE  58  -4.230  -4.949 -12.094
  399    HA   ILE  58           HA       ILE  58  -3.972  -2.049 -11.745
  400    HB   ILE  58           HB       ILE  58  -3.002  -4.085 -13.638
  401   1HG1  ILE  58          1HG1      ILE  58  -2.112  -1.238 -13.104
  402   2HG1  ILE  58          2HG1      ILE  58  -1.709  -2.602 -12.060
  403   1HG2  ILE  58          1HG2      ILE  58  -4.619  -2.855 -15.146
  404   2HG2  ILE  58          3HG2      ILE  58  -3.740  -1.367 -14.795
  405   3HG2  ILE  58          2HG2      ILE  58  -2.932  -2.693 -15.633
  406   1HD1  ILE  58          1HD1      ILE  58  -1.145  -2.741 -15.015
  407   2HD1  ILE  58          3HD1      ILE  58  -0.017  -1.922 -13.933
  408   3HD1  ILE  58          2HD1      ILE  58  -0.379  -3.633 -13.700
  409    H    GLY  59           H        GLY  59  -5.631  -0.734 -12.041
  410   1HA   GLY  59          1HA       GLY  59  -7.453   0.158 -13.395
  411   2HA   GLY  59          2HA       GLY  59  -7.756  -1.472 -13.999
  412    H    LYS  60           H        LYS  60  -7.381  -2.378 -11.035
  413    HA   LYS  60           HA       LYS  60 -10.244  -2.251 -10.397
  414   1HB   LYS  60          1HB       LYS  60  -9.360  -3.372  -8.179
  415   2HB   LYS  60          2HB       LYS  60  -9.306  -4.296  -9.682
  416   1HG   LYS  60          1HG       LYS  60  -7.053  -4.227  -9.791
  417   2HG   LYS  60          2HG       LYS  60  -6.963  -2.580  -9.183
  418   1HD   LYS  60          1HD       LYS  60  -7.940  -4.329  -7.131
  419   2HD   LYS  60          2HD       LYS  60  -6.426  -4.944  -7.746
  420   1HE   LYS  60          1HE       LYS  60  -6.080  -3.316  -5.885
  421   2HE   LYS  60          2HE       LYS  60  -5.347  -2.773  -7.392
  422   1HZ   LYS  60          1HZ       LYS  60  -8.106  -1.982  -6.785
  423   2HZ   LYS  60          3HZ       LYS  60  -6.831  -1.174  -6.013
  424   3HZ   LYS  60          2HZ       LYS  60  -6.929  -1.180  -7.709
  425    H    ASN  61           H        ASN  61 -10.929  -1.622  -8.147
  426    HA   ASN  61           HA       ASN  61  -9.627   0.951  -7.367
  427   1HB   ASN  61          1HB       ASN  61 -12.385   0.136  -7.713
  428   2HB   ASN  61          2HB       ASN  61 -12.117   0.643  -6.045
  429   1HD2  ASN  61          2HD2      ASN  61 -11.066   3.466  -8.846
  430   2HD2  ASN  61          1HD2      ASN  61 -10.564   1.859  -9.060
  431    H    PHE  62           H        PHE  62  -8.151   0.367  -5.811
  432    HA   PHE  62           HA       PHE  62  -8.161  -1.842  -4.095
  433   1HB   PHE  62          1HB       PHE  62  -6.203  -0.487  -4.247
  434   2HB   PHE  62          2HB       PHE  62  -7.066   0.954  -3.722
  435    HD1  PHE  62           HD1      PHE  62  -7.526  -2.369  -2.173
  436    HD2  PHE  62           HD2      PHE  62  -5.644   1.464  -1.817
  437    HE1  PHE  62           HE1      PHE  62  -6.842  -2.916   0.144
  438    HE2  PHE  62           HE2      PHE  62  -5.005   0.928   0.522
  439    HZ   PHE  62           HZ       PHE  62  -5.625  -1.277   1.496
  440    H    PHE  63           H        PHE  63  -9.692   1.333  -3.398
  441    HA   PHE  63           HA       PHE  63 -10.468   0.269  -0.788
  442   1HB   PHE  63          1HB       PHE  63 -10.708   2.946  -2.137
  443   2HB   PHE  63          2HB       PHE  63 -11.644   2.608  -0.678
  444    HD1  PHE  63           HD1      PHE  63 -10.330   1.551   1.311
  445    HD2  PHE  63           HD2      PHE  63  -8.491   3.677  -1.934
  446    HE1  PHE  63           HE1      PHE  63  -8.326   1.940   2.702
  447    HE2  PHE  63           HE2      PHE  63  -6.478   4.066  -0.538
  448    HZ   PHE  63           HZ       PHE  63  -6.394   3.196   1.784
  449    H    LYS  64           H        LYS  64 -11.857  -0.160  -3.753
  450    HA   LYS  64           HA       LYS  64 -14.463  -0.721  -2.513
  451   1HB   LYS  64          1HB       LYS  64 -14.137   1.744  -3.692
  452   2HB   LYS  64          2HB       LYS  64 -14.806   0.784  -5.012
  453   1HG   LYS  64          1HG       LYS  64 -16.017   0.724  -2.245
  454   2HG   LYS  64          2HG       LYS  64 -16.491   1.937  -3.436
  455   1HD   LYS  64          1HD       LYS  64 -16.890  -0.028  -5.041
  456   2HD   LYS  64          2HD       LYS  64 -16.784  -1.063  -3.617
  457   1HE   LYS  64          1HE       LYS  64 -18.649   1.313  -3.764
  458   2HE   LYS  64          2HE       LYS  64 -19.136  -0.309  -4.255
  459   1HZ   LYS  64          3HZ       LYS  64 -17.913   0.184  -1.614
  460   2HZ   LYS  64          2HZ       LYS  64 -19.580   0.405  -1.859
  461   3HZ   LYS  64          1HZ       LYS  64 -18.875  -1.120  -2.111
  462    H    ASP  65           H        ASP  65 -12.809  -2.650  -3.423
  463    HA   ASP  65           HA       ASP  65 -14.341  -4.145  -5.236
  464   1HB   ASP  65          1HB       ASP  65 -12.792  -2.097  -6.575
  465   2HB   ASP  65          2HB       ASP  65 -12.282  -3.700  -7.107
  466    H    VAL  66           H        VAL  66 -11.295  -3.596  -3.666
  467    HA   VAL  66           HA       VAL  66 -10.410  -6.349  -4.422
  468    HB   VAL  66           HB       VAL  66  -8.605  -4.299  -3.219
  469   1HG1  VAL  66          2HG1      VAL  66  -8.422  -6.691  -4.949
  470   2HG1  VAL  66          1HG1      VAL  66  -7.276  -5.396  -5.290
  471   3HG1  VAL  66          3HG1      VAL  66  -7.329  -6.125  -3.686
  472   1HG2  VAL  66          3HG2      VAL  66  -9.524  -4.237  -6.091
  473   2HG2  VAL  66          2HG2      VAL  66  -9.749  -2.983  -4.877
  474   3HG2  VAL  66          1HG2      VAL  66  -8.135  -3.359  -5.456
  475    H    ALA  67           H        ALA  67 -10.010  -3.914  -1.953
  476    HA   ALA  67           HA       ALA  67  -9.916  -5.996   0.176
  477   1HB   ALA  67          2HB       ALA  67  -8.856  -3.167  -0.111
  478   2HB   ALA  67          1HB       ALA  67  -8.687  -4.135   1.355
  479   3HB   ALA  67          3HB       ALA  67  -7.913  -4.657  -0.142
  480    HA   PRO  68           HA       PRO  68 -13.942  -3.946   0.925
  481   1HB   PRO  68          1HB       PRO  68 -14.980  -6.004   2.428
  482   2HB   PRO  68          2HB       PRO  68 -15.030  -5.944   0.658
  483   1HG   PRO  68          1HG       PRO  68 -13.258  -7.566   2.438
  484   2HG   PRO  68          2HG       PRO  68 -13.855  -7.934   0.810
  485   1HD   PRO  68          1HD       PRO  68 -11.274  -7.014   1.403
  486   2HD   PRO  68          2HD       PRO  68 -12.041  -6.947  -0.198
  487    H    CYS  69           H        CYS  69 -11.389  -4.697   3.043
  488    HA   CYS  69           HA       CYS  69 -12.914  -3.581   5.352
  489   1HB   CYS  69          1HB       CYS  69 -11.205  -4.480   6.810
  490   2HB   CYS  69          2HB       CYS  69 -11.722  -5.761   5.717
  491    H    THR  70           H        THR  70 -10.469  -2.825   3.034
  492    HA   THR  70           HA       THR  70  -9.151  -0.789   4.640
  493    HB   THR  70           HB       THR  70  -8.222  -0.037   2.422
  494    HG1  THR  70           HG1      THR  70 -10.206  -0.887   1.337
  495   1HG2  THR  70          3HG2      THR  70  -7.932  -2.632   3.722
  496   2HG2  THR  70          2HG2      THR  70  -7.482  -2.689   2.018
  497   3HG2  THR  70          1HG2      THR  70  -6.690  -1.544   3.102
  498    H    ASP  71           H        ASP  71 -12.239  -0.943   3.331
  499    HA   ASP  71           HA       ASP  71 -12.381   1.954   2.747
  500   1HB   ASP  71          1HB       ASP  71 -14.797   1.394   2.204
  501   2HB   ASP  71          2HB       ASP  71 -13.608   0.564   1.199
  502    H    SER  72           H        SER  72 -11.677   1.641   5.297
  503    HA   SER  72           HA       SER  72 -14.199   2.014   6.867
  504   1HB   SER  72          1HB       SER  72 -12.096   0.226   7.301
  505   2HB   SER  72          2HB       SER  72 -11.798   1.525   8.452
  506    HG   SER  72           HG       SER  72 -13.930  -0.266   8.248
  507    HA   PRO  73           HA       PRO  73 -12.767   6.018   8.025
  508   1HB   PRO  73          1HB       PRO  73 -12.963   6.127  10.764
  509   2HB   PRO  73          2HB       PRO  73 -14.360   6.143   9.675
  510   1HG   PRO  73          1HG       PRO  73 -13.355   3.936  11.402
  511   2HG   PRO  73          2HG       PRO  73 -14.993   4.229  10.796
  512   1HD   PRO  73          1HD       PRO  73 -13.140   2.351   9.766
  513   2HD   PRO  73          2HD       PRO  73 -14.659   2.853   8.995
  514    H    GLU  74           H        GLU  74 -10.918   3.391   9.277
  515    HA   GLU  74           HA       GLU  74  -8.808   5.218  10.256
  516   1HB   GLU  74          1HB       GLU  74  -8.820   2.203  10.384
  517   2HB   GLU  74          2HB       GLU  74  -7.795   3.312  11.293
  518   1HG   GLU  74          1HG       GLU  74  -9.413   3.748  12.834
  519   2HG   GLU  74          2HG       GLU  74 -10.696   3.767  11.625
  520    H    PHE  75           H        PHE  75  -9.589   3.046   7.664
  521    HA   PHE  75           HA       PHE  75  -6.795   3.190   6.637
  522   1HB   PHE  75          1HB       PHE  75  -8.335   1.020   6.780
  523   2HB   PHE  75          2HB       PHE  75  -8.950   1.639   5.249
  524    HD1  PHE  75           HD2      PHE  75  -6.870   2.676   3.742
  525    HD2  PHE  75           HD1      PHE  75  -6.650  -0.569   6.548
  526    HE1  PHE  75           HE2      PHE  75  -4.875   1.797   2.570
  527    HE2  PHE  75           HE1      PHE  75  -4.640  -1.439   5.378
  528    HZ   PHE  75           HZ       PHE  75  -3.755  -0.257   3.388
  529    H    TYR  76           H        TYR  76 -10.015   3.221   5.042
  530    HA   TYR  76           HA       TYR  76  -9.035   5.045   3.004
  531   1HB   TYR  76          1HB       TYR  76 -10.967   3.315   2.804
  532   2HB   TYR  76          2HB       TYR  76 -11.954   4.552   3.583
  533    HD1  TYR  76           HD1      TYR  76  -9.160   4.813   1.089
  534    HD2  TYR  76           HD2      TYR  76 -13.313   5.528   1.940
  535    HE1  TYR  76           HE1      TYR  76  -9.396   6.006  -1.075
  536    HE2  TYR  76           HE2      TYR  76 -13.550   6.716  -0.224
  537    HH   TYR  76           HH       TYR  76 -12.175   6.565  -2.564
  538    H    GLY  77           H        GLY  77 -10.330   5.395   6.171
  539   1HA   GLY  77          1HA       GLY  77 -11.535   7.980   5.942
  540   2HA   GLY  77          2HA       GLY  77 -10.905   7.278   7.424
  541    H    LYS  78           H        LYS  78  -8.341   7.104   7.278
  542    HA   LYS  78           HA       LYS  78  -7.394   9.814   7.289
  543   1HB   LYS  78          1HB       LYS  78  -5.541   7.449   7.099
  544   2HB   LYS  78          2HB       LYS  78  -5.334   8.947   8.003
  545   1HG   LYS  78          1HG       LYS  78  -7.045   6.562   8.673
  546   2HG   LYS  78          2HG       LYS  78  -5.881   7.402   9.691
  547   1HD   LYS  78          1HD       LYS  78  -7.651   9.414   9.205
  548   2HD   LYS  78          2HD       LYS  78  -8.733   8.024   9.159
  549   1HE   LYS  78          1HE       LYS  78  -8.140   7.360  11.375
  550   2HE   LYS  78          2HE       LYS  78  -6.752   8.449  11.407
  551   1HZ   LYS  78          2HZ       LYS  78  -9.585   9.318  11.214
  552   2HZ   LYS  78          1HZ       LYS  78  -8.668   9.316  12.643
  553   3HZ   LYS  78          3HZ       LYS  78  -8.227  10.329  11.356
  554    H    PHE  79           H        PHE  79  -7.782   7.581   4.745
  555    HA   PHE  79           HA       PHE  79  -5.734   8.743   3.039
  556   1HB   PHE  79          1HB       PHE  79  -6.238   6.429   2.695
  557   2HB   PHE  79          2HB       PHE  79  -7.963   6.763   2.623
  558    HD1  PHE  79           HD1      PHE  79  -8.889   8.081   0.671
  559    HD2  PHE  79           HD2      PHE  79  -4.863   6.560   0.711
  560    HE1  PHE  79           HE1      PHE  79  -8.768   8.309  -1.801
  561    HE2  PHE  79           HE2      PHE  79  -4.771   6.772  -1.741
  562    HZ   PHE  79           HZ       PHE  79  -6.706   7.646  -2.997
  563    H    LYS  80           H        LYS  80  -9.199   8.996   3.535
  564    HA   LYS  80           HA       LYS  80  -9.582  10.769   1.296
  565   1HB   LYS  80          1HB       LYS  80 -11.239   9.437   3.282
  566   2HB   LYS  80          2HB       LYS  80 -11.729  11.114   3.039
  567   1HG   LYS  80          1HG       LYS  80 -11.126   9.832   0.504
  568   2HG   LYS  80          2HG       LYS  80 -12.364   8.938   1.387
  569   1HD   LYS  80          1HD       LYS  80 -13.716  10.943   1.626
  570   2HD   LYS  80          2HD       LYS  80 -12.445  11.928   0.901
  571   1HE   LYS  80          1HE       LYS  80 -12.764  10.040  -1.032
  572   2HE   LYS  80          2HE       LYS  80 -14.406  10.127  -0.395
  573   1HZ   LYS  80          3HZ       LYS  80 -12.991  12.636  -0.909
  574   2HZ   LYS  80          2HZ       LYS  80 -13.576  11.765  -2.246
  575   3HZ   LYS  80          1HZ       LYS  80 -14.646  12.283  -1.029
  576    H    GLU  81           H        GLU  81  -8.231  11.037   4.356
  577    HA   GLU  81           HA       GLU  81  -9.005  13.901   4.676
  578   1HB   GLU  81          1HB       GLU  81  -7.205  12.270   6.489
  579   2HB   GLU  81          2HB       GLU  81  -8.057  13.766   6.873
  580   1HG   GLU  81          1HG       GLU  81  -9.941  11.788   5.944
  581   2HG   GLU  81          2HG       GLU  81  -8.982  11.124   7.266
  582    H    GLY  82           H        GLY  82  -6.238  11.778   4.250
  583   1HA   GLY  82          1HA       GLY  82  -4.221  13.819   4.110
  584   2HA   GLY  82          2HA       GLY  82  -4.078  12.192   3.429
  585    H    VAL  83           H        VAL  83  -6.323  12.257   1.750
  586    HA   VAL  83           HA       VAL  83  -5.231  13.527  -0.589
  587    HB   VAL  83           HB       VAL  83  -8.024  12.462  -0.085
  588   1HG1  VAL  83          3HG1      VAL  83  -7.107  13.979  -2.222
  589   2HG1  VAL  83          2HG1      VAL  83  -6.937  12.320  -2.795
  590   3HG1  VAL  83          1HG1      VAL  83  -8.506  12.906  -2.246
  591   1HG2  VAL  83          1HG2      VAL  83  -5.694  11.055   0.033
  592   2HG2  VAL  83          3HG2      VAL  83  -7.227  10.368  -0.501
  593   3HG2  VAL  83          2HG2      VAL  83  -6.057  10.943  -1.688
  594    H    ALA  84           H        ALA  84  -7.871  14.424   1.627
  595    HA   ALA  84           HA       ALA  84  -8.536  16.798   0.043
  596   1HB   ALA  84          2HB       ALA  84  -9.954  15.274   1.804
  597   2HB   ALA  84          1HB       ALA  84  -9.504  16.636   2.830
  598   3HB   ALA  84          3HB       ALA  84 -10.403  16.915   1.339
  599    H    SER  85           H        SER  85  -6.088  16.111   2.274
  600    HA   SER  85           HA       SER  85  -5.975  18.962   3.154
  601   1HB   SER  85          1HB       SER  85  -5.768  16.714   4.681
  602   2HB   SER  85          2HB       SER  85  -4.071  17.020   4.319
  603    HG   SER  85           HG       SER  85  -4.174  18.567   5.722
  604    H    GLY  86           H        GLY  86  -4.454  16.635   1.116
  605   1HA   GLY  86          1HA       GLY  86  -2.744  17.018  -0.469
  606   2HA   GLY  86          2HA       GLY  86  -2.559  18.651   0.181
  607    H    ASN  87           H        ASN  87  -2.513  16.056   2.473
  608    HA   ASN  87           HA       ASN  87   0.422  15.795   2.395
  609   1HB   ASN  87          1HB       ASN  87  -0.271  17.903   3.757
  610   2HB   ASN  87          2HB       ASN  87  -0.823  16.746   4.968
  611   1HD2  ASN  87          2HD2      ASN  87   3.198  17.149   4.258
  612   2HD2  ASN  87          1HD2      ASN  87   2.082  17.767   3.138
  613    H    LEU  88           H        LEU  88  -1.101  13.714   1.889
  614    HA   LEU  88           HA       LEU  88  -2.252  12.272   4.045
  615   1HB   LEU  88          1HB       LEU  88  -2.095  11.811   1.409
  616   2HB   LEU  88          2HB       LEU  88  -0.798  10.741   1.946
  617    HG   LEU  88           HG       LEU  88  -2.983  10.400   3.742
  618   1HD1  LEU  88          1HD1      LEU  88  -3.858  11.096   1.095
  619   2HD1  LEU  88          3HD1      LEU  88  -4.203   9.390   1.376
  620   3HD1  LEU  88          2HD1      LEU  88  -4.835  10.611   2.481
  621   1HD2  LEU  88          3HD2      LEU  88  -1.351   8.828   1.833
  622   2HD2  LEU  88          2HD2      LEU  88  -1.766   8.481   3.512
  623   3HD2  LEU  88          1HD2      LEU  88  -2.924   8.134   2.228
  624    H    ASN  89           H        ASN  89  -1.295  11.526   5.847
  625    HA   ASN  89           HA       ASN  89   1.274  10.138   5.717
  626   1HB   ASN  89          1HB       ASN  89   2.094  12.433   5.849
  627   2HB   ASN  89          2HB       ASN  89   1.017  12.773   7.203
  628   1HD2  ASN  89          2HD2      ASN  89   3.787   9.947   8.221
  629   2HD2  ASN  89          1HD2      ASN  89   2.746   9.686   6.907
  630    H    THR  90           H        THR  90  -0.052   8.412   6.602
  631    HA   THR  90           HA       THR  90  -0.317   8.605   9.524
  632    HB   THR  90           HB       THR  90  -2.450   9.575   8.752
  633    HG1  THR  90           HG1      THR  90  -2.815   6.922   9.670
  634   1HG2  THR  90          1HG2      THR  90  -2.201   7.704   6.695
  635   2HG2  THR  90          3HG2      THR  90  -3.554   7.112   7.658
  636   3HG2  THR  90          2HG2      THR  90  -3.592   8.746   6.994
  637    H    MET  91           H        MET  91  -0.802   6.500  10.496
  638    HA   MET  91           HA       MET  91  -0.591   4.167   8.659
  639   1HB   MET  91          1HB       MET  91   1.081   3.169  10.310
  640   2HB   MET  91          2HB       MET  91   1.696   4.475   9.298
  641   1HG   MET  91          2HG       MET  91   1.894   5.925  11.057
  642   2HG   MET  91          1HG       MET  91   0.458   5.299  11.867
  643   1HE   MET  91          2HE       MET  91   3.909   5.505  11.282
  644   2HE   MET  91          1HE       MET  91   4.737   4.586  12.534
  645   3HE   MET  91          3HE       MET  91   4.322   3.817  10.997
  646    H    PHE  92           H        PHE  92  -0.905   2.079  10.084
  647    HA   PHE  92           HA       PHE  92  -2.226   2.266  12.609
  648   1HB   PHE  92          1HB       PHE  92  -4.573   1.773  11.790
  649   2HB   PHE  92          2HB       PHE  92  -4.018   3.423  11.512
  650    HD1  PHE  92           HD1      PHE  92  -4.058   0.064   9.832
  651    HD2  PHE  92           HD2      PHE  92  -4.180   4.327   9.363
  652    HE1  PHE  92           HE1      PHE  92  -4.460  -0.219   7.413
  653    HE2  PHE  92           HE2      PHE  92  -4.568   4.042   6.928
  654    HZ   PHE  92           HZ       PHE  92  -4.674   1.756   5.954
  655    H    GLU  93           H        GLU  93  -2.922   0.178  13.353
  656    HA   GLU  93           HA       GLU  93  -1.681  -2.031  11.868
  657   1HB   GLU  93          1HB       GLU  93  -2.212  -1.497  14.580
  658   2HB   GLU  93          2HB       GLU  93  -3.251  -2.860  14.163
  659   1HG   GLU  93          1HG       GLU  93  -1.112  -3.817  13.006
  660   2HG   GLU  93          2HG       GLU  93  -0.253  -2.667  14.030
  661    H    TYR  94           H        TYR  94  -2.850  -2.892  10.206
  662    HA   TYR  94           HA       TYR  94  -5.801  -3.148  10.598
  663   1HB   TYR  94          1HB       TYR  94  -4.384  -1.980   8.495
  664   2HB   TYR  94          2HB       TYR  94  -4.867  -3.558   7.869
  665    HD1  TYR  94           HD1      TYR  94  -6.375  -0.938  10.096
  666    HD2  TYR  94           HD2      TYR  94  -6.896  -3.561   6.735
  667    HE1  TYR  94           HE1      TYR  94  -8.701  -0.125   9.821
  668    HE2  TYR  94           HE2      TYR  94  -9.222  -2.747   6.458
  669    HH   TYR  94           HH       TYR  94 -10.944  -1.352   8.647
  670    H    THR  95           H        THR  95  -6.567  -5.060   8.983
  671    HA   THR  95           HA       THR  95  -4.718  -7.357   9.115
  672    HB   THR  95           HB       THR  95  -7.397  -7.372  10.537
  673    HG1  THR  95           HG1      THR  95  -5.955  -6.313  11.805
  674   1HG2  THR  95          2HG2      THR  95  -6.047  -9.469   9.352
  675   2HG2  THR  95          1HG2      THR  95  -5.482  -9.538  11.021
  676   3HG2  THR  95          3HG2      THR  95  -7.209  -9.621  10.670
  677    H    PHE  96           H        PHE  96  -4.884  -7.982   6.999
  678    HA   PHE  96           HA       PHE  96  -7.444  -7.763   5.562
  679   1HB   PHE  96          1HB       PHE  96  -4.880  -9.126   4.674
  680   2HB   PHE  96          2HB       PHE  96  -6.238  -8.681   3.648
  681    HD1  PHE  96           HD1      PHE  96  -6.684  -5.938   5.186
  682    HD2  PHE  96           HD2      PHE  96  -3.285  -7.835   3.364
  683    HE1  PHE  96           HE1      PHE  96  -5.656  -3.714   4.778
  684    HE2  PHE  96           HE2      PHE  96  -2.260  -5.616   2.960
  685    HZ   PHE  96           HZ       PHE  96  -3.440  -3.554   3.659
  686    H    ASP  97           H        ASP  97  -9.001  -9.339   5.806
  687    HA   ASP  97           HA       ASP  97  -8.133 -12.158   5.868
  688   1HB   ASP  97          1HB       ASP  97  -9.481 -12.619   7.930
  689   2HB   ASP  97          2HB       ASP  97  -8.060 -11.616   8.230
  690    H    TYR  98           H        TYR  98  -9.536 -10.974   3.815
  691    HA   TYR  98           HA       TYR  98 -12.415 -11.412   4.204
  692   1HB   TYR  98          1HB       TYR  98 -12.554 -11.027   1.751
  693   2HB   TYR  98          2HB       TYR  98 -11.616  -9.753   2.528
  694    HD1  TYR  98           HD2      TYR  98 -11.282 -13.004   0.732
  695    HD2  TYR  98           HD1      TYR  98  -9.373  -9.324   1.858
  696    HE1  TYR  98           HE2      TYR  98  -9.345 -13.582  -0.696
  697    HE2  TYR  98           HE1      TYR  98  -7.426  -9.918   0.435
  698    HH   TYR  98           HH       TYR  98  -7.506 -12.253  -1.915
  699    H    GLN  99           H        GLN  99 -13.485 -13.341   3.678
  700    HA   GLN  99           HA       GLN  99 -13.121 -15.802   4.002
  701   1HB   GLN  99          1HB       GLN  99 -13.968 -16.624   1.857
  702   2HB   GLN  99          2HB       GLN  99 -14.795 -15.136   2.316
  703   1HG   GLN  99          1HG       GLN  99 -12.857 -14.009   0.915
  704   2HG   GLN  99          2HG       GLN  99 -12.782 -15.593   0.144
  705   1HE2  GLN  99          2HE2      GLN  99 -15.707 -13.072  -0.905
  706   2HE2  GLN  99          1HE2      GLN  99 -14.349 -12.602  -0.003
  707    H    MET 100           H        MET 100 -10.703 -15.608   4.470
  708    HA   MET 100           HA       MET 100  -9.237 -17.473   2.836
  709   1HB   MET 100          1HB       MET 100  -9.283 -15.133   1.562
  710   2HB   MET 100          2HB       MET 100  -8.032 -14.722   2.736
  711   1HG   MET 100          2HG       MET 100  -6.583 -16.427   1.963
  712   2HG   MET 100          1HG       MET 100  -7.881 -17.260   1.107
  713   1HE   MET 100          2HE       MET 100  -5.710 -14.498   1.651
  714   2HE   MET 100          1HE       MET 100  -5.059 -14.098   0.065
  715   3HE   MET 100          3HE       MET 100  -6.434 -13.194   0.713
  716    H    THR 101           H        THR 101  -6.796 -17.379   3.604
  717    HA   THR 101           HA       THR 101  -6.663 -17.676   6.399
  718    HB   THR 101           HB       THR 101  -4.907 -18.531   4.923
  719    HG1  THR 101           HG1      THR 101  -3.539 -18.272   6.475
  720   1HG2  THR 101          2HG2      THR 101  -4.577 -15.608   4.297
  721   2HG2  THR 101          1HG2      THR 101  -3.229 -16.727   4.085
  722   3HG2  THR 101          3HG2      THR 101  -4.725 -16.968   3.183
  723    HA   PRO 102           HA       PRO 102  -6.674 -13.495   7.826
  724   1HB   PRO 102          1HB       PRO 102  -5.492 -13.872  10.280
  725   2HB   PRO 102          2HB       PRO 102  -7.173 -14.300   9.921
  726   1HG   PRO 102          1HG       PRO 102  -4.801 -16.087  10.225
  727   2HG   PRO 102          2HG       PRO 102  -6.513 -16.433  10.522
  728   1HD   PRO 102          1HD       PRO 102  -5.054 -17.228   8.247
  729   2HD   PRO 102          2HD       PRO 102  -6.824 -17.217   8.387
  730    H    THR 103           H        THR 103  -5.281 -11.707   7.932
  731    HA   THR 103           HA       THR 103  -2.353 -12.221   7.985
  732    HB   THR 103           HB       THR 103  -3.881 -10.784   5.800
  733    HG1  THR 103           HG1      THR 103  -1.770 -12.651   5.645
  734   1HG2  THR 103          3HG2      THR 103  -1.072 -10.369   6.759
  735   2HG2  THR 103          2HG2      THR 103  -1.370 -10.352   5.022
  736   3HG2  THR 103          1HG2      THR 103  -2.204  -9.205   6.069
  737    H    LYS 104           H        LYS 104  -1.469 -10.867   9.447
  738    HA   LYS 104           HA       LYS 104  -2.953  -8.372  10.140
  739   1HB   LYS 104          1HB       LYS 104  -2.213 -10.125  11.933
  740   2HB   LYS 104          2HB       LYS 104  -0.588  -9.492  11.661
  741   1HG   LYS 104          1HG       LYS 104  -1.306  -7.248  12.257
  742   2HG   LYS 104          2HG       LYS 104  -2.981  -7.780  12.395
  743   1HD   LYS 104          1HD       LYS 104  -1.887  -9.525  14.103
  744   2HD   LYS 104          2HD       LYS 104  -0.687  -8.239  14.249
  745   1HE   LYS 104          1HE       LYS 104  -2.120  -7.321  15.749
  746   2HE   LYS 104          2HE       LYS 104  -3.057  -6.836  14.336
  747   1HZ   LYS 104          1HZ       LYS 104  -4.188  -9.035  14.494
  748   2HZ   LYS 104          3HZ       LYS 104  -3.416  -9.273  15.985
  749   3HZ   LYS 104          2HZ       LYS 104  -4.507  -7.986  15.791
  750    H    VAL 105           H        VAL 105  -1.887  -6.368   9.818
  751    HA   VAL 105           HA       VAL 105   0.972  -6.430   9.058
  752    HB   VAL 105           HB       VAL 105   0.640  -5.347   6.921
  753   1HG1  VAL 105          1HG1      VAL 105   0.448  -7.883   7.113
  754   2HG1  VAL 105          3HG1      VAL 105  -1.300  -7.674   7.036
  755   3HG1  VAL 105          2HG1      VAL 105  -0.292  -7.184   5.676
  756   1HG2  VAL 105          2HG2      VAL 105  -2.328  -5.522   7.539
  757   2HG2  VAL 105          1HG2      VAL 105  -1.370  -4.045   7.435
  758   3HG2  VAL 105          3HG2      VAL 105  -1.646  -5.020   5.992
  759    H    LYS 106           H        LYS 106   1.978  -4.475   9.394
  760    HA   LYS 106           HA       LYS 106   0.348  -2.353  10.694
  761   1HB   LYS 106          1HB       LYS 106   2.577  -1.333  11.236
  762   2HB   LYS 106          2HB       LYS 106   2.428  -2.968  11.879
  763   1HG   LYS 106          1HG       LYS 106   3.432  -3.235   9.249
  764   2HG   LYS 106          2HG       LYS 106   4.362  -1.940   9.999
  765   1HD   LYS 106          1HD       LYS 106   3.846  -4.510  11.484
  766   2HD   LYS 106          2HD       LYS 106   5.170  -4.395  10.325
  767   1HE   LYS 106          1HE       LYS 106   5.125  -2.074  12.064
  768   2HE   LYS 106          2HE       LYS 106   5.217  -3.562  13.006
  769   1HZ   LYS 106          2HZ       LYS 106   7.010  -4.224  11.331
  770   2HZ   LYS 106          1HZ       LYS 106   7.069  -2.573  10.933
  771   3HZ   LYS 106          3HZ       LYS 106   7.416  -3.076  12.516
  772    H    VAL 107           H        VAL 107  -0.418  -0.844   9.242
  773    HA   VAL 107           HA       VAL 107   0.893  -0.716   6.608
  774    HB   VAL 107           HB       VAL 107  -1.175  -0.105   5.770
  775   1HG1  VAL 107          1HG1      VAL 107  -1.543  -1.857   7.674
  776   2HG1  VAL 107          3HG1      VAL 107  -2.448  -0.538   8.405
  777   3HG1  VAL 107          2HG1      VAL 107  -2.902  -1.140   6.814
  778   1HG2  VAL 107          1HG2      VAL 107  -0.857   2.207   7.077
  779   2HG2  VAL 107          3HG2      VAL 107  -2.371   1.748   6.338
  780   3HG2  VAL 107          2HG2      VAL 107  -2.134   1.527   8.069
  781    H    HIS 108           H        HIS 108   1.187   1.423   5.595
  782    HA   HIS 108           HA       HIS 108   1.570   3.772   7.294
  783   1HB   HIS 108          1HB       HIS 108   3.672   2.515   7.768
  784   2HB   HIS 108          2HB       HIS 108   4.007   2.459   6.036
  785    HD1  HIS 108           HD1      HIS 108   6.198   3.872   7.114
  786    HD2  HIS 108           HD2      HIS 108   2.557   5.876   6.733
  787    HE1  HIS 108           HE1      HIS 108   6.730   6.347   7.185
  788    H    MET 109           H        MET 109   0.381   4.989   5.810
  789    HA   MET 109           HA       MET 109   1.285   4.861   2.955
  790   1HB   MET 109          1HB       MET 109  -1.314   6.128   3.346
  791   2HB   MET 109          2HB       MET 109  -0.885   4.777   2.310
  792   1HG   MET 109          2HG       MET 109  -2.342   3.688   3.746
  793   2HG   MET 109          1HG       MET 109  -0.855   3.469   4.660
  794   1HE   MET 109          1HE       MET 109  -4.202   4.502   4.396
  795   2HE   MET 109          3HE       MET 109  -4.612   5.593   5.725
  796   3HE   MET 109          2HE       MET 109  -3.877   6.228   4.255
  797    H    LYS 110           H        LYS 110   1.598   6.883   1.787
  798    HA   LYS 110           HA       LYS 110   1.187   9.357   3.420
  799   1HB   LYS 110          1HB       LYS 110   3.648   8.192   3.432
  800   2HB   LYS 110          2HB       LYS 110   3.799   9.236   2.022
  801   1HG   LYS 110          1HG       LYS 110   2.991  11.143   3.446
  802   2HG   LYS 110          2HG       LYS 110   3.046  10.064   4.837
  803   1HD   LYS 110          1HD       LYS 110   5.478  10.272   3.107
  804   2HD   LYS 110          2HD       LYS 110   5.126  11.598   4.216
  805   1HE   LYS 110          1HE       LYS 110   4.998   9.984   6.091
  806   2HE   LYS 110          2HE       LYS 110   5.390   8.675   4.977
  807   1HZ   LYS 110          2HZ       LYS 110   7.349  10.453   4.485
  808   2HZ   LYS 110          1HZ       LYS 110   7.110  10.669   6.152
  809   3HZ   LYS 110          3HZ       LYS 110   7.489   9.131   5.544
  810    H    LYS 111           H        LYS 111   2.001  11.303   1.860
  811    HA   LYS 111           HA       LYS 111   0.470  10.920  -0.623
  812   1HB   LYS 111          1HB       LYS 111   0.972  13.404  -0.910
  813   2HB   LYS 111          2HB       LYS 111   0.009  12.977   0.503
  814   1HG   LYS 111          1HG       LYS 111   1.590  13.744   1.918
  815   2HG   LYS 111          2HG       LYS 111   2.863  12.859   1.076
  816   1HD   LYS 111          1HD       LYS 111   2.551  14.733  -0.751
  817   2HD   LYS 111          2HD       LYS 111   1.856  15.645   0.592
  818   1HE   LYS 111          1HE       LYS 111   4.011  16.214   1.033
  819   2HE   LYS 111          2HE       LYS 111   4.109  14.608   1.753
  820   1HZ   LYS 111          3HZ       LYS 111   4.623  15.083  -1.121
  821   2HZ   LYS 111          2HZ       LYS 111   5.854  15.186   0.047
  822   3HZ   LYS 111          1HZ       LYS 111   5.028  13.721  -0.194
  823    H    ALA 112           H        ALA 112   1.612   9.934  -2.205
  824    HA   ALA 112           HA       ALA 112   4.417   9.892  -2.502
  825   1HB   ALA 112          3HB       ALA 112   2.321   8.710  -3.775
  826   2HB   ALA 112          2HB       ALA 112   2.845   9.861  -5.006
  827   3HB   ALA 112          1HB       ALA 112   3.980   8.669  -4.370
  828    H    LEU 113           H        LEU 113   5.872  11.294  -3.455
  829    HA   LEU 113           HA       LEU 113   4.795  13.952  -4.230
  830   1HB   LEU 113          1HB       LEU 113   7.274  14.586  -4.164
  831   2HB   LEU 113          2HB       LEU 113   6.546  14.133  -2.624
  832    HG   LEU 113           HG       LEU 113   7.632  11.848  -4.118
  833   1HD1  LEU 113          1HD1      LEU 113   9.312  14.240  -3.490
  834   2HD1  LEU 113          3HD1      LEU 113   9.999  12.646  -3.191
  835   3HD1  LEU 113          2HD1      LEU 113   9.462  13.083  -4.812
  836   1HD2  LEU 113          1HD2      LEU 113   6.981  12.552  -1.486
  837   2HD2  LEU 113          3HD2      LEU 113   7.775  11.062  -2.001
  838   3HD2  LEU 113          2HD2      LEU 113   8.742  12.445  -1.489
  839    H    SER 114           H        SER 114   4.817  11.442  -5.968
  840    HA   SER 114           HA       SER 114   6.668  12.198  -8.111
  841   1HB   SER 114          1HB       SER 114   4.535  10.062  -8.209
  842   2HB   SER 114          2HB       SER 114   5.982  10.183  -9.205
  843    HG   SER 114           HG       SER 114   7.115  10.063  -7.078
  844    H    GLY 115           H        GLY 115   3.337  12.626  -7.237
  845   1HA   GLY 115          1HA       GLY 115   2.855  14.658  -9.151
  846   2HA   GLY 115          2HA       GLY 115   2.233  13.149  -9.819
  847    H    ASP 116           H        ASP 116   2.289  14.121  -6.403
  848    HA   ASP 116           HA       ASP 116   0.531  14.408  -4.878
  849   1HB   ASP 116          1HB       ASP 116  -0.110  16.183  -6.565
  850   2HB   ASP 116          2HB       ASP 116  -1.164  14.988  -7.322
  851    H    SER 117           H        SER 117   0.944  11.869  -5.053
  852    HA   SER 117           HA       SER 117  -1.638  10.589  -5.850
  853   1HB   SER 117          1HB       SER 117   1.022   9.195  -5.487
  854   2HB   SER 117          2HB       SER 117  -0.438   8.543  -6.225
  855    HG   SER 117           HG       SER 117   1.522  10.102  -7.294
  856    H    TYR 118           H        TYR 118  -1.139   8.159  -4.450
  857    HA   TYR 118           HA       TYR 118  -0.873   8.906  -1.590
  858   1HB   TYR 118          1HB       TYR 118  -3.337   7.478  -2.619
  859   2HB   TYR 118          2HB       TYR 118  -3.085   8.117  -0.991
  860    HD1  TYR 118           HD2      TYR 118  -2.728  10.683  -0.798
  861    HD2  TYR 118           HD1      TYR 118  -4.345   8.723  -4.256
  862    HE1  TYR 118           HE2      TYR 118  -3.720  12.818  -1.549
  863    HE2  TYR 118           HE1      TYR 118  -5.337  10.846  -5.005
  864    HH   TYR 118           HH       TYR 118  -4.725  13.425  -4.571
  865    H    TRP 119           H        TRP 119   0.803   7.376  -1.219
  866    HA   TRP 119           HA       TRP 119   0.225   4.649  -2.174
  867   1HB   TRP 119          1HB       TRP 119   2.621   4.149  -1.804
  868   2HB   TRP 119          2HB       TRP 119   2.295   5.340  -3.051
  869    HD1  TRP 119           HD1      TRP 119   3.622   7.475  -2.872
  870    HE1  TRP 119           HE1      TRP 119   5.108   8.587  -1.086
  871    HE3  TRP 119           HE3      TRP 119   2.684   4.375   0.908
  872    HZ2  TRP 119           HZ2      TRP 119   5.822   8.134   1.670
  873    HZ3  TRP 119           HZ3      TRP 119   3.770   4.670   3.138
  874    HH2  TRP 119           HH2      TRP 119   5.333   6.546   3.514
  875    H    VAL 120           H        VAL 120   0.384   2.851  -0.948
  876    HA   VAL 120           HA       VAL 120   0.367   3.304   2.001
  877    HB   VAL 120           HB       VAL 120  -1.440   1.374   0.524
  878   1HG1  VAL 120          1HG1      VAL 120  -0.867   2.063   3.337
  879   2HG1  VAL 120          3HG1      VAL 120  -2.580   1.931   2.936
  880   3HG1  VAL 120          2HG1      VAL 120  -1.496   0.568   2.648
  881   1HG2  VAL 120          3HG2      VAL 120  -1.726   4.052   0.293
  882   2HG2  VAL 120          2HG2      VAL 120  -3.104   2.957   0.398
  883   3HG2  VAL 120          1HG2      VAL 120  -2.545   3.810   1.833
  884    H    PHE 121           H        PHE 121   2.215   2.275   2.605
  885    HA   PHE 121           HA       PHE 121   3.040  -0.231   1.296
  886   1HB   PHE 121          1HB       PHE 121   4.394   1.151   3.620
  887   2HB   PHE 121          2HB       PHE 121   5.099  -0.013   2.506
  888    HD1  PHE 121           HD2      PHE 121   3.566   1.404   0.063
  889    HD2  PHE 121           HD1      PHE 121   6.218   2.724   3.159
  890    HE1  PHE 121           HE2      PHE 121   4.355   3.238  -1.408
  891    HE2  PHE 121           HE1      PHE 121   6.987   4.583   1.703
  892    HZ   PHE 121           HZ       PHE 121   6.062   4.825  -0.584
  893    H    VAL 122           H        VAL 122   2.429  -2.181   2.153
  894    HA   VAL 122           HA       VAL 122   1.550  -2.166   4.983
  895    HB   VAL 122           HB       VAL 122   0.613  -3.584   2.556
  896   1HG1  VAL 122          1HG1      VAL 122   1.131  -5.052   5.117
  897   2HG1  VAL 122          3HG1      VAL 122  -0.367  -5.383   4.253
  898   3HG1  VAL 122          2HG1      VAL 122   1.187  -5.646   3.460
  899   1HG2  VAL 122          3HG2      VAL 122  -0.546  -2.715   5.203
  900   2HG2  VAL 122          2HG2      VAL 122  -0.791  -1.973   3.621
  901   3HG2  VAL 122          1HG2      VAL 122  -1.487  -3.555   3.973
  902    H    LYS 123           H        LYS 123   2.963  -2.878   6.353
  903    HA   LYS 123           HA       LYS 123   5.154  -4.685   5.468
  904   1HB   LYS 123          1HB       LYS 123   5.296  -2.499   7.008
  905   2HB   LYS 123          2HB       LYS 123   4.924  -3.671   8.268
  906   1HG   LYS 123          1HG       LYS 123   7.000  -4.505   8.226
  907   2HG   LYS 123          2HG       LYS 123   6.943  -4.706   6.475
  908   1HD   LYS 123          1HD       LYS 123   7.651  -2.444   6.105
  909   2HD   LYS 123          2HD       LYS 123   7.417  -2.029   7.802
  910   1HE   LYS 123          1HE       LYS 123   9.366  -4.170   6.949
  911   2HE   LYS 123          2HE       LYS 123   9.832  -2.471   7.037
  912   1HZ   LYS 123          3HZ       LYS 123   8.450  -3.672   9.328
  913   2HZ   LYS 123          2HZ       LYS 123  10.093  -4.035   9.094
  914   3HZ   LYS 123          1HZ       LYS 123   9.596  -2.423   9.293
  915    H    ARG 124           H        ARG 124   4.478  -6.833   5.538
  916    HA   ARG 124           HA       ARG 124   2.349  -7.780   7.164
  917   1HB   ARG 124          1HB       ARG 124   3.304  -9.038   5.230
  918   2HB   ARG 124          2HB       ARG 124   4.734  -9.394   6.202
  919   1HG   ARG 124          1HG       ARG 124   3.421 -10.628   7.810
  920   2HG   ARG 124          2HG       ARG 124   1.915 -10.115   7.049
  921   1HD   ARG 124          1HD       ARG 124   2.068 -12.106   5.954
  922   2HD   ARG 124          2HD       ARG 124   3.209 -11.239   4.925
  923    HE   ARG 124           HE       ARG 124   4.576 -12.321   7.211
  924   1HH1  ARG 124          2HH1      ARG 124   4.909 -12.420   4.038
  925   2HH1  ARG 124          1HH1      ARG 124   5.089 -14.132   3.851
  926   1HH2  ARG 124          1HH2      ARG 124   4.020 -14.862   7.069
  927   2HH2  ARG 124          2HH2      ARG 124   4.589 -15.515   5.568
  928    H    VAL 125           H        VAL 125   2.205  -8.206   9.293
  929    HA   VAL 125           HA       VAL 125   4.604  -7.829  10.961
  930    HB   VAL 125           HB       VAL 125   2.006  -8.634  12.200
  931   1HG1  VAL 125          2HG1      VAL 125   4.347  -7.700  13.148
  932   2HG1  VAL 125          1HG1      VAL 125   3.509  -6.170  12.891
  933   3HG1  VAL 125          3HG1      VAL 125   2.805  -7.393  13.948
  934   1HG2  VAL 125          1HG2      VAL 125   2.348  -6.269  10.424
  935   2HG2  VAL 125          3HG2      VAL 125   0.882  -7.145  10.861
  936   3HG2  VAL 125          2HG2      VAL 125   1.575  -5.976  11.981
  937    H2   HC4  69           H2       HC4  69  -7.486  -5.328   3.116
  938    H3   HC4  69           H3       HC4  69  -9.127  -7.423   1.623
  939    H2'  HC4  69           H2'      HC4  69  -8.013  -8.266  -0.373
  940    H3'  HC4  69           H3'      HC4  69  -6.080  -8.345  -1.934
  941    H5'  HC4  69           H5'      HC4  69  -4.045  -5.356   0.429
  942    H6'  HC4  69           H6'      HC4  69  -5.977  -5.287   1.986
   
  No H/Q in entry =         942
  Start of MODEL   12
    1   1H    MET   1           H3       MET   1  17.153   9.539  12.141
    2   2H    MET   1           H2       MET   1  16.541  11.108  12.368
    3   3H    MET   1           H1       MET   1  17.164  10.237  13.686
    4    HA   MET   1           HA       MET   1  15.372   8.751  13.723
    5   1HB   MET   1          1HB       MET   1  15.006  11.524  13.964
    6   2HB   MET   1          2HB       MET   1  13.629  10.963  13.013
    7   1HG   MET   1          2HG       MET   1  12.809  10.584  15.143
    8   2HG   MET   1          1HG       MET   1  13.598   9.034  14.848
    9   1HE   MET   1          3HE       MET   1  12.816   9.553  17.350
   10   2HE   MET   1          2HE       MET   1  14.044   9.847  18.579
   11   3HE   MET   1          1HE       MET   1  13.166  11.205  17.880
   12    H    GLU   2           H        GLU   2  15.783  10.387  10.677
   13    HA   GLU   2           HA       GLU   2  15.031   9.803   8.528
   14   1HB   GLU   2          1HB       GLU   2  15.044   7.357  10.054
   15   2HB   GLU   2          2HB       GLU   2  13.659   7.361   8.962
   16   1HG   GLU   2          1HG       GLU   2  15.332   8.156   7.157
   17   2HG   GLU   2          2HG       GLU   2  16.585   7.619   8.277
   18    H    HIS   3           H        HIS   3  12.789   8.921   7.464
   19    HA   HIS   3           HA       HIS   3  10.438   9.627   9.076
   20   1HB   HIS   3          1HB       HIS   3   9.725  11.410   7.441
   21   2HB   HIS   3          2HB       HIS   3  11.118  11.855   8.428
   22    HD1  HIS   3           HD1      HIS   3  12.322  13.363   6.774
   23    HD2  HIS   3           HD2      HIS   3  11.412   9.630   5.156
   24    HE1  HIS   3           HE1      HIS   3  13.519  13.235   4.545
   25    H    VAL   4           H        VAL   4  11.507   7.351   7.411
   26    HA   VAL   4           HA       VAL   4   9.573   7.271   5.175
   27    HB   VAL   4           HB       VAL   4  12.040   6.422   5.106
   28   1HG1  VAL   4          1HG1      VAL   4  11.531   4.969   7.235
   29   2HG1  VAL   4          3HG1      VAL   4  10.857   3.831   6.065
   30   3HG1  VAL   4          2HG1      VAL   4  12.551   4.310   5.955
   31   1HG2  VAL   4          1HG2      VAL   4   9.801   5.835   3.626
   32   2HG2  VAL   4          3HG2      VAL   4  11.438   5.326   3.212
   33   3HG2  VAL   4          2HG2      VAL   4  10.364   4.225   4.077
   34    H    ALA   5           H        ALA   5   8.603   4.813   5.046
   35    HA   ALA   5           HA       ALA   5   6.565   4.647   6.997
   36   1HB   ALA   5          1HB       ALA   5   7.507   3.114   4.714
   37   2HB   ALA   5          3HB       ALA   5   6.960   2.044   6.002
   38   3HB   ALA   5          2HB       ALA   5   5.869   3.261   5.346
   39    H    PHE   6           H        PHE   6   6.568   1.953   7.844
   40    HA   PHE   6           HA       PHE   6   7.737   1.865  10.342
   41   1HB   PHE   6          1HB       PHE   6   8.189  -0.693   8.932
   42   2HB   PHE   6          2HB       PHE   6   7.284  -0.374  10.401
   43    HD1  PHE   6           HD1      PHE   6   4.944   0.358  10.301
   44    HD2  PHE   6           HD2      PHE   6   7.099  -0.737   6.736
   45    HE1  PHE   6           HE1      PHE   6   2.813   0.144   9.068
   46    HE2  PHE   6           HE2      PHE   6   4.951  -0.954   5.513
   47    HZ   PHE   6           HZ       PHE   6   2.822  -0.510   6.683
   48    H    GLY   7           H        GLY   7   9.259   0.230   7.619
   49   1HA   GLY   7          1HA       GLY   7  11.893   1.375   8.261
   50   2HA   GLY   7          2HA       GLY   7  11.754  -0.388   8.378
   51    H    SER   8           H        SER   8   9.809   1.441   6.144
   52    HA   SER   8           HA       SER   8  10.595  -0.149   3.925
   53   1HB   SER   8          1HB       SER   8   9.283   2.544   3.671
   54   2HB   SER   8          2HB       SER   8   9.054   1.116   2.685
   55    HG   SER   8           HG       SER   8   7.470   0.708   3.968
   56    H    GLU   9           H        GLU   9  12.331   0.036   2.626
   57    HA   GLU   9           HA       GLU   9  14.358   2.040   3.071
   58   1HB   GLU   9          1HB       GLU   9  13.958  -0.326   1.356
   59   2HB   GLU   9          2HB       GLU   9  14.990   0.920   0.651
   60   1HG   GLU   9          1HG       GLU   9  15.584   0.455   3.479
   61   2HG   GLU   9          2HG       GLU   9  15.795  -0.997   2.500
   62    H    ASP  10           H        ASP  10  13.119   4.063   2.649
   63    HA   ASP  10           HA       ASP  10  12.161   5.732   1.247
   64   1HB   ASP  10          1HB       ASP  10  13.767   6.315  -0.614
   65   2HB   ASP  10          2HB       ASP  10  14.521   6.168   0.973
   66    H    ILE  11           H        ILE  11  10.267   4.397   0.659
   67    HA   ILE  11           HA       ILE  11  10.372   2.817  -1.760
   68    HB   ILE  11           HB       ILE  11   7.854   3.778  -0.593
   69   1HG1  ILE  11          1HG1      ILE  11   9.134   3.143   1.389
   70   2HG1  ILE  11          2HG1      ILE  11   7.937   1.901   1.045
   71   1HG2  ILE  11          1HG2      ILE  11   8.526   2.000  -2.565
   72   2HG2  ILE  11          3HG2      ILE  11   8.220   0.956  -1.179
   73   3HG2  ILE  11          2HG2      ILE  11   6.970   2.064  -1.740
   74   1HD1  ILE  11          3HD1      ILE  11  10.578   1.568  -0.272
   75   2HD1  ILE  11          2HD1      ILE  11  10.521   1.322   1.470
   76   3HD1  ILE  11          1HD1      ILE  11   9.491   0.366   0.412
   77    H    GLU  12           H        GLU  12   8.572   5.785  -0.927
   78    HA   GLU  12           HA       GLU  12   7.419   6.375  -3.310
   79   1HB   GLU  12          1HB       GLU  12   7.458   7.821  -1.215
   80   2HB   GLU  12          2HB       GLU  12   8.970   8.502  -1.817
   81   1HG   GLU  12          1HG       GLU  12   7.642   8.925  -4.014
   82   2HG   GLU  12          2HG       GLU  12   6.211   8.704  -3.007
   83    H    ASN  13           H        ASN  13  10.893   6.530  -2.751
   84    HA   ASN  13           HA       ASN  13  11.327   7.760  -5.415
   85   1HB   ASN  13          1HB       ASN  13  13.438   6.685  -3.526
   86   2HB   ASN  13          2HB       ASN  13  13.645   7.870  -4.815
   87   1HD2  ASN  13          2HD2      ASN  13  12.228   9.062  -1.177
   88   2HD2  ASN  13          1HD2      ASN  13  12.440   7.412  -1.519
   89    H    THR  14           H        THR  14  11.797   4.712  -3.693
   90    HA   THR  14           HA       THR  14  13.022   3.284  -5.879
   91    HB   THR  14           HB       THR  14  11.599   2.454  -3.335
   92    HG1  THR  14           HG1      THR  14  14.266   2.080  -4.212
   93   1HG2  THR  14          2HG2      THR  14  12.425   0.771  -5.658
   94   2HG2  THR  14          1HG2      THR  14  12.772   0.153  -4.042
   95   3HG2  THR  14          3HG2      THR  14  11.113   0.532  -4.504
   96    H    LEU  15           H        LEU  15   9.848   4.410  -5.441
   97    HA   LEU  15           HA       LEU  15   8.660   2.218  -7.027
   98   1HB   LEU  15          1HB       LEU  15   7.330   4.658  -5.811
   99   2HB   LEU  15          2HB       LEU  15   6.523   3.233  -6.463
  100    HG   LEU  15           HG       LEU  15   8.523   2.944  -4.251
  101   1HD1  LEU  15          3HD1      LEU  15   6.205   4.519  -4.034
  102   2HD1  LEU  15          2HD1      LEU  15   5.804   2.974  -3.285
  103   3HD1  LEU  15          1HD1      LEU  15   7.189   3.898  -2.714
  104   1HD2  LEU  15          1HD2      LEU  15   7.131   1.132  -5.738
  105   2HD2  LEU  15          3HD2      LEU  15   7.694   0.829  -4.093
  106   3HD2  LEU  15          2HD2      LEU  15   6.034   1.359  -4.373
  107    H    ALA  16           H        ALA  16   9.670   5.547  -7.228
  108    HA   ALA  16           HA       ALA  16   8.417   5.885  -9.881
  109   1HB   ALA  16          3HB       ALA  16   8.836   7.660  -7.880
  110   2HB   ALA  16          2HB       ALA  16  10.300   7.926  -8.827
  111   3HB   ALA  16          1HB       ALA  16   8.717   8.136  -9.574
  112    H    LYS  17           H        LYS  17  11.140   4.354  -8.798
  113    HA   LYS  17           HA       LYS  17  12.517   4.878 -11.381
  114   1HB   LYS  17          1HB       LYS  17  13.487   6.188  -9.345
  115   2HB   LYS  17          2HB       LYS  17  14.113   4.618  -8.842
  116   1HG   LYS  17          1HG       LYS  17  15.789   4.772 -10.331
  117   2HG   LYS  17          2HG       LYS  17  14.631   4.971 -11.646
  118   1HD   LYS  17          1HD       LYS  17  15.072   7.175 -11.796
  119   2HD   LYS  17          2HD       LYS  17  14.820   7.398 -10.065
  120   1HE   LYS  17          1HE       LYS  17  17.126   8.002 -10.706
  121   2HE   LYS  17          2HE       LYS  17  17.117   6.609  -9.625
  122   1HZ   LYS  17          1HZ       LYS  17  17.184   5.196 -11.658
  123   2HZ   LYS  17          3HZ       LYS  17  17.443   6.600 -12.572
  124   3HZ   LYS  17          2HZ       LYS  17  18.582   6.128 -11.405
  125    H    MET  18           H        MET  18  12.547   2.840  -8.420
  126    HA   MET  18           HA       MET  18  12.904   0.531  -8.194
  127   1HB   MET  18          1HB       MET  18  12.082   0.514 -11.118
  128   2HB   MET  18          2HB       MET  18  12.151  -0.891 -10.058
  129   1HG   MET  18          2HG       MET  18  10.459   1.519  -9.395
  130   2HG   MET  18          1HG       MET  18   9.847   0.188 -10.376
  131   1HE   MET  18          1HE       MET  18   8.297   0.905  -8.406
  132   2HE   MET  18          3HE       MET  18   7.871  -0.811  -8.427
  133   3HE   MET  18          2HE       MET  18   8.212  -0.005  -6.900
  134    H    ASP  19           H        ASP  19  14.384  -1.283  -9.130
  135    HA   ASP  19           HA       ASP  19  16.298  -0.819 -11.151
  136   1HB   ASP  19          1HB       ASP  19  16.710   0.933  -8.959
  137   2HB   ASP  19          2HB       ASP  19  17.999  -0.270  -8.897
  138    H    ASP  20           H        ASP  20  16.517  -1.808  -7.704
  139    HA   ASP  20           HA       ASP  20  18.034  -4.199  -8.506
  140   1HB   ASP  20          1HB       ASP  20  17.102  -3.269  -5.771
  141   2HB   ASP  20          2HB       ASP  20  18.190  -4.625  -6.073
  142    H    GLY  21           H        GLY  21  15.910  -4.705  -9.769
  143   1HA   GLY  21          1HA       GLY  21  14.285  -6.411  -9.990
  144   2HA   GLY  21          2HA       GLY  21  14.537  -6.821  -8.290
  145    H    GLN  22           H        GLN  22  14.001  -3.490  -9.042
  146    HA   GLN  22           HA       GLN  22  12.255  -2.057  -8.469
  147   1HB   GLN  22          1HB       GLN  22  10.656  -4.511  -9.229
  148   2HB   GLN  22          2HB       GLN  22   9.990  -2.892  -9.040
  149   1HG   GLN  22          1HG       GLN  22  12.238  -2.667 -10.758
  150   2HG   GLN  22          2HG       GLN  22  11.283  -4.032 -11.333
  151   1HE2  GLN  22          2HE2      GLN  22   8.298  -1.775 -11.554
  152   2HE2  GLN  22          1HE2      GLN  22   8.670  -3.166 -10.653
  153    H    LEU  23           H        LEU  23  13.474  -3.841  -6.426
  154    HA   LEU  23           HA       LEU  23  13.088  -4.621  -4.243
  155   1HB   LEU  23          1HB       LEU  23  11.973  -1.960  -4.573
  156   2HB   LEU  23          2HB       LEU  23  11.096  -2.859  -3.336
  157    HG   LEU  23           HG       LEU  23  14.100  -2.461  -3.457
  158   1HD1  LEU  23          1HD1      LEU  23  11.892  -1.014  -2.201
  159   2HD1  LEU  23          3HD1      LEU  23  13.102  -1.539  -1.030
  160   3HD1  LEU  23          2HD1      LEU  23  13.576  -0.533  -2.399
  161   1HD2  LEU  23          2HD2      LEU  23  12.504  -4.492  -2.191
  162   2HD2  LEU  23          1HD2      LEU  23  14.252  -4.270  -2.120
  163   3HD2  LEU  23          3HD2      LEU  23  13.213  -3.465  -0.947
  164    H    ASP  24           H        ASP  24  11.716  -6.248  -5.933
  165    HA   ASP  24           HA       ASP  24   8.877  -6.355  -5.318
  166   1HB   ASP  24          1HB       ASP  24  10.776  -8.327  -6.610
  167   2HB   ASP  24          2HB       ASP  24   9.052  -8.638  -6.409
  168    H    GLY  25           H        GLY  25  11.732  -7.433  -3.703
  169   1HA   GLY  25          1HA       GLY  25  10.270  -9.496  -2.165
  170   2HA   GLY  25          2HA       GLY  25  11.990  -9.129  -2.021
  171    H    LEU  26           H        LEU  26   9.870  -6.419  -2.031
  172    HA   LEU  26           HA       LEU  26  10.721  -5.379   0.416
  173   1HB   LEU  26          1HB       LEU  26   8.308  -4.921  -1.319
  174   2HB   LEU  26          2HB       LEU  26   8.410  -4.137   0.257
  175    HG   LEU  26           HG       LEU  26  10.674  -3.988  -1.734
  176   1HD1  LEU  26          2HD1      LEU  26   8.160  -2.335  -1.526
  177   2HD1  LEU  26          1HD1      LEU  26   9.656  -1.634  -2.144
  178   3HD1  LEU  26          3HD1      LEU  26   8.920  -3.008  -2.968
  179   1HD2  LEU  26          2HD2      LEU  26  10.372  -3.218   0.942
  180   2HD2  LEU  26          1HD2      LEU  26  11.637  -2.680  -0.162
  181   3HD2  LEU  26          3HD2      LEU  26  10.167  -1.723   0.028
  182    H    ALA  27           H        ALA  27  10.329  -6.037   2.413
  183    HA   ALA  27           HA       ALA  27   8.686  -8.210   3.185
  184   1HB   ALA  27          1HB       ALA  27  10.034  -5.970   4.601
  185   2HB   ALA  27          3HB       ALA  27   8.726  -6.767   5.476
  186   3HB   ALA  27          2HB       ALA  27  10.110  -7.704   4.912
  187    H    PHE  28           H        PHE  28   7.837  -4.959   2.382
  188    HA   PHE  28           HA       PHE  28   5.056  -5.505   3.266
  189   1HB   PHE  28          1HB       PHE  28   4.861  -2.959   3.446
  190   2HB   PHE  28          2HB       PHE  28   5.862  -3.720   4.671
  191    HD1  PHE  28           HD2      PHE  28   8.318  -3.621   4.551
  192    HD2  PHE  28           HD1      PHE  28   5.833  -1.570   1.721
  193    HE1  PHE  28           HE2      PHE  28  10.280  -2.311   3.786
  194    HE2  PHE  28           HE1      PHE  28   7.791  -0.254   0.955
  195    HZ   PHE  28           HZ       PHE  28  10.021  -0.635   1.984
  196    H    GLY  29           H        GLY  29   3.446  -4.832   1.832
  197   1HA   GLY  29          1HA       GLY  29   4.253  -4.751  -0.960
  198   2HA   GLY  29          2HA       GLY  29   2.607  -4.668  -0.335
  199    H    ALA  30           H        ALA  30   4.136  -2.900  -2.355
  200    HA   ALA  30           HA       ALA  30   3.623  -0.334  -0.902
  201   1HB   ALA  30          1HB       ALA  30   6.005  -1.028  -2.046
  202   2HB   ALA  30          3HB       ALA  30   5.219  -0.203  -3.393
  203   3HB   ALA  30          2HB       ALA  30   5.454   0.637  -1.862
  204    H    ILE  31           H        ILE  31   1.425  -0.237  -1.451
  205    HA   ILE  31           HA       ILE  31   0.749  -0.380  -4.330
  206    HB   ILE  31           HB       ILE  31  -1.438  -0.863  -3.728
  207   1HG1  ILE  31          1HG1      ILE  31  -2.251  -0.273  -1.313
  208   2HG1  ILE  31          2HG1      ILE  31  -0.949   0.913  -1.360
  209   1HG2  ILE  31          2HG2      ILE  31   0.018  -2.538  -2.695
  210   2HG2  ILE  31          1HG2      ILE  31   0.074  -1.602  -1.213
  211   3HG2  ILE  31          3HG2      ILE  31  -1.445  -2.313  -1.749
  212   1HD1  ILE  31          3HD1      ILE  31  -2.812   0.747  -3.700
  213   2HD1  ILE  31          2HD1      ILE  31  -3.382   1.537  -2.229
  214   3HD1  ILE  31          1HD1      ILE  31  -1.952   2.148  -3.059
  215    H    GLN  32           H        GLN  32  -0.332   1.347  -5.393
  216    HA   GLN  32           HA       GLN  32  -0.203   3.964  -3.975
  217   1HB   GLN  32          1HB       GLN  32   0.261   4.614  -6.646
  218   2HB   GLN  32          2HB       GLN  32   1.453   4.638  -5.358
  219   1HG   GLN  32          1HG       GLN  32   0.999   1.979  -6.608
  220   2HG   GLN  32          2HG       GLN  32   1.745   3.189  -7.640
  221   1HE2  GLN  32          2HE2      GLN  32   4.695   3.469  -5.586
  222   2HE2  GLN  32          1HE2      GLN  32   3.676   4.387  -6.585
  223    H    LEU  33           H        LEU  33  -1.669   5.601  -4.998
  224    HA   LEU  33           HA       LEU  33  -3.796   4.451  -6.710
  225   1HB   LEU  33          1HB       LEU  33  -4.477   5.872  -4.118
  226   2HB   LEU  33          2HB       LEU  33  -5.580   5.048  -5.217
  227    HG   LEU  33           HG       LEU  33  -3.348   3.621  -3.751
  228   1HD1  LEU  33          2HD1      LEU  33  -6.264   3.988  -3.017
  229   2HD1  LEU  33          1HD1      LEU  33  -5.209   2.781  -2.282
  230   3HD1  LEU  33          3HD1      LEU  33  -4.860   4.497  -2.078
  231   1HD2  LEU  33          2HD2      LEU  33  -4.518   2.740  -5.927
  232   2HD2  LEU  33          1HD2      LEU  33  -4.336   1.646  -4.556
  233   3HD2  LEU  33          3HD2      LEU  33  -5.884   2.435  -4.856
  234    H    ASP  34           H        ASP  34  -5.120   6.182  -7.684
  235    HA   ASP  34           HA       ASP  34  -3.941   8.908  -7.317
  236   1HB   ASP  34          1HB       ASP  34  -4.157   7.347  -9.739
  237   2HB   ASP  34          2HB       ASP  34  -5.090   8.834  -9.884
  238    H    GLY  35           H        GLY  35  -5.324  10.529  -7.102
  239   1HA   GLY  35          1HA       GLY  35  -7.501  10.990  -5.907
  240   2HA   GLY  35          2HA       GLY  35  -7.470  11.675  -7.524
  241    H    ASP  36           H        ASP  36  -8.302   8.650  -5.880
  242    HA   ASP  36           HA       ASP  36 -10.989   8.436  -6.449
  243   1HB   ASP  36          1HB       ASP  36  -9.431   8.170  -8.904
  244   2HB   ASP  36          2HB       ASP  36 -10.374   6.715  -8.580
  245    H    GLY  37           H        GLY  37  -7.878   6.904  -6.261
  246   1HA   GLY  37          1HA       GLY  37  -7.430   5.118  -4.709
  247   2HA   GLY  37          2HA       GLY  37  -9.118   4.625  -4.838
  248    H    ASN  38           H        ASN  38  -7.557   5.513  -7.798
  249    HA   ASN  38           HA       ASN  38  -7.806   2.710  -8.710
  250   1HB   ASN  38          1HB       ASN  38  -6.996   3.710 -10.919
  251   2HB   ASN  38          2HB       ASN  38  -8.528   4.339 -10.312
  252   1HD2  ASN  38          2HD2      ASN  38  -7.325   7.630 -10.119
  253   2HD2  ASN  38          1HD2      ASN  38  -8.658   6.581 -10.153
  254    H    ILE  39           H        ILE  39  -6.139   1.302  -8.833
  255    HA   ILE  39           HA       ILE  39  -3.711   1.774  -7.527
  256    HB   ILE  39           HB       ILE  39  -4.867  -0.470  -8.477
  257   1HG1  ILE  39          1HG1      ILE  39  -2.509  -1.527  -8.126
  258   2HG1  ILE  39          2HG1      ILE  39  -2.008   0.121  -7.745
  259   1HG2  ILE  39          3HG2      ILE  39  -2.619   0.050 -10.430
  260   2HG2  ILE  39          2HG2      ILE  39  -3.429  -1.492 -10.188
  261   3HG2  ILE  39          1HG2      ILE  39  -4.332  -0.116 -10.824
  262   1HD1  ILE  39          1HD1      ILE  39  -4.226   0.007  -6.225
  263   2HD1  ILE  39          3HD1      ILE  39  -3.811  -1.707  -6.228
  264   3HD1  ILE  39          2HD1      ILE  39  -2.652  -0.521  -5.630
  265    H    LEU  40           H        LEU  40  -1.745   2.425  -8.031
  266    HA   LEU  40           HA       LEU  40  -1.218   3.369 -10.818
  267   1HB   LEU  40          1HB       LEU  40   0.457   4.292  -8.512
  268   2HB   LEU  40          2HB       LEU  40   0.041   5.142  -9.994
  269    HG   LEU  40           HG       LEU  40  -1.879   4.571  -7.721
  270   1HD1  LEU  40          2HD1      LEU  40   0.086   6.643  -8.122
  271   2HD1  LEU  40          1HD1      LEU  40  -1.533   7.340  -8.178
  272   3HD1  LEU  40          3HD1      LEU  40  -1.019   6.417  -6.766
  273   1HD2  LEU  40          2HD2      LEU  40  -2.651   4.770 -10.216
  274   2HD2  LEU  40          1HD2      LEU  40  -3.506   5.679  -8.977
  275   3HD2  LEU  40          3HD2      LEU  40  -2.315   6.485  -9.993
  276    H    GLN  41           H        GLN  41  -0.138   1.508  -8.049
  277    HA   GLN  41           HA       GLN  41   1.468  -0.218  -9.671
  278   1HB   GLN  41          1HB       GLN  41   2.826   2.079  -8.812
  279   2HB   GLN  41          2HB       GLN  41   3.336   0.811  -7.699
  280   1HG   GLN  41          1HG       GLN  41   4.786   0.960  -9.743
  281   2HG   GLN  41          2HG       GLN  41   4.015  -0.615  -9.558
  282   1HE2  GLN  41          2HE2      GLN  41   1.965  -0.274 -12.431
  283   2HE2  GLN  41          1HE2      GLN  41   2.332  -1.203 -11.068
  284    H    TYR  42           H        TYR  42   2.644  -1.881  -8.227
  285    HA   TYR  42           HA       TYR  42   1.346  -2.101  -5.559
  286   1HB   TYR  42          1HB       TYR  42  -0.061  -3.163  -7.429
  287   2HB   TYR  42          2HB       TYR  42   1.204  -4.379  -7.543
  288    HD1  TYR  42           HD1      TYR  42  -0.667  -2.623  -4.801
  289    HD2  TYR  42           HD2      TYR  42   0.770  -6.338  -6.389
  290    HE1  TYR  42           HE1      TYR  42  -1.678  -3.832  -2.881
  291    HE2  TYR  42           HE2      TYR  42  -0.247  -7.542  -4.485
  292    HH   TYR  42           HH       TYR  42  -1.294  -7.362  -2.527
  293    H    ASN  43           H        ASN  43   3.089  -4.376  -7.678
  294    HA   ASN  43           HA       ASN  43   5.427  -4.986  -7.476
  295   1HB   ASN  43          1HB       ASN  43   6.701  -4.774  -5.539
  296   2HB   ASN  43          2HB       ASN  43   5.630  -3.387  -5.408
  297   1HD2  ASN  43          2HD2      ASN  43   5.663  -5.325  -2.158
  298   2HD2  ASN  43          1HD2      ASN  43   6.892  -4.656  -3.117
  299    H    ALA  44           H        ALA  44   6.329  -7.051  -6.105
  300    HA   ALA  44           HA       ALA  44   4.122  -9.007  -6.398
  301   1HB   ALA  44          1HB       ALA  44   6.553  -9.091  -7.454
  302   2HB   ALA  44          3HB       ALA  44   6.939  -9.859  -5.916
  303   3HB   ALA  44          2HB       ALA  44   5.716 -10.565  -6.970
  304    H    ALA  45           H        ALA  45   6.214  -7.794  -3.811
  305    HA   ALA  45           HA       ALA  45   6.100  -9.931  -2.000
  306   1HB   ALA  45          3HB       ALA  45   6.757  -7.202  -1.827
  307   2HB   ALA  45          2HB       ALA  45   5.506  -7.447  -0.610
  308   3HB   ALA  45          1HB       ALA  45   6.978  -8.417  -0.569
  309    H    GLU  46           H        GLU  46   3.839  -7.237  -1.891
  310    HA   GLU  46           HA       GLU  46   1.970  -8.484  -0.170
  311   1HB   GLU  46          1HB       GLU  46   0.295  -6.865  -1.509
  312   2HB   GLU  46          2HB       GLU  46   1.418  -6.270  -0.308
  313   1HG   GLU  46          1HG       GLU  46   3.042  -5.748  -2.094
  314   2HG   GLU  46          2HG       GLU  46   1.878  -6.297  -3.294
  315    HE2  GLU  46           HE1      GLU  46   1.878  -4.158  -4.102
  316    H    GLY  47           H        GLY  47   1.793  -8.149  -3.693
  317   1HA   GLY  47          1HA       GLY  47  -0.576  -9.686  -4.040
  318   2HA   GLY  47          2HA       GLY  47   0.687  -9.514  -5.275
  319    H    ASP  48           H        ASP  48   2.573 -10.745  -3.035
  320    HA   ASP  48           HA       ASP  48   2.250 -13.481  -4.021
  321   1HB   ASP  48          1HB       ASP  48   4.496 -12.460  -3.601
  322   2HB   ASP  48          2HB       ASP  48   4.121 -12.425  -1.878
  323    H    ILE  49           H        ILE  49   1.709 -11.729  -0.992
  324    HA   ILE  49           HA       ILE  49   0.926 -14.129   0.455
  325    HB   ILE  49           HB       ILE  49   1.566 -11.417   1.051
  326   1HG1  ILE  49          1HG1      ILE  49   1.797 -12.393   3.364
  327   2HG1  ILE  49          2HG1      ILE  49   1.135 -13.895   2.716
  328   1HG2  ILE  49          1HG2      ILE  49  -1.072 -12.355   2.168
  329   2HG2  ILE  49          3HG2      ILE  49  -0.073 -11.156   2.992
  330   3HG2  ILE  49          2HG2      ILE  49  -0.710 -10.818   1.382
  331   1HD1  ILE  49          1HD1      ILE  49   2.981 -13.750   0.936
  332   2HD1  ILE  49          3HD1      ILE  49   3.715 -12.517   1.959
  333   3HD1  ILE  49          2HD1      ILE  49   3.495 -14.154   2.574
  334    H    THR  50           H        THR  50  -0.799 -11.220  -0.647
  335    HA   THR  50           HA       THR  50  -3.420 -12.385  -0.180
  336    HB   THR  50           HB       THR  50  -4.264 -10.311  -1.175
  337    HG1  THR  50           HG1      THR  50  -1.589  -9.654  -1.782
  338   1HG2  THR  50          2HG2      THR  50  -2.591 -10.457   1.051
  339   2HG2  THR  50          1HG2      THR  50  -1.988  -9.067   0.147
  340   3HG2  THR  50          3HG2      THR  50  -3.678  -9.129   0.648
  341    H    GLY  51           H        GLY  51  -1.161 -12.395  -2.815
  342   1HA   GLY  51          1HA       GLY  51  -1.312 -13.654  -4.823
  343   2HA   GLY  51          2HA       GLY  51  -2.968 -14.065  -4.386
  344    H    ARG  52           H        ARG  52  -2.827 -10.832  -3.945
  345    HA   ARG  52           HA       ARG  52  -4.578 -10.039  -5.907
  346   1HB   ARG  52          1HB       ARG  52  -2.552  -8.694  -4.221
  347   2HB   ARG  52          2HB       ARG  52  -3.114  -7.783  -5.617
  348   1HG   ARG  52          1HG       ARG  52  -5.198  -7.508  -4.751
  349   2HG   ARG  52          2HG       ARG  52  -5.238  -9.142  -4.094
  350   1HD   ARG  52          1HD       ARG  52  -4.811  -8.320  -2.068
  351   2HD   ARG  52          2HD       ARG  52  -3.264  -7.734  -2.657
  352    HE   ARG  52           HE       ARG  52  -5.658  -6.105  -2.185
  353   1HH1  ARG  52          2HH1      ARG  52  -3.816  -6.156  -4.919
  354   2HH1  ARG  52          1HH1      ARG  52  -3.200  -4.559  -4.765
  355   1HH2  ARG  52          1HH2      ARG  52  -4.344  -4.189  -1.516
  356   2HH2  ARG  52          2HH2      ARG  52  -3.480  -3.437  -2.811
  357    H    ASP  53           H        ASP  53  -1.003  -9.900  -6.168
  358    HA   ASP  53           HA       ASP  53   0.344  -9.841  -8.096
  359   1HB   ASP  53          1HB       ASP  53  -2.104 -11.152  -8.954
  360   2HB   ASP  53          2HB       ASP  53  -1.454 -10.141 -10.246
  361    HA   PRO  54           HA       PRO  54  -0.321  -5.629  -9.234
  362   1HB   PRO  54          1HB       PRO  54   1.614  -5.386 -11.168
  363   2HB   PRO  54          2HB       PRO  54   1.957  -5.420  -9.430
  364   1HG   PRO  54          1HG       PRO  54   2.379  -7.554 -11.471
  365   2HG   PRO  54          2HG       PRO  54   3.239  -7.271  -9.949
  366   1HD   PRO  54          1HD       PRO  54   1.243  -9.226 -10.376
  367   2HD   PRO  54          2HD       PRO  54   1.855  -8.693  -8.796
  368    H    LYS  55           H        LYS  55  -0.131  -7.982 -11.910
  369    HA   LYS  55           HA       LYS  55  -1.310  -6.211 -13.854
  370   1HB   LYS  55          1HB       LYS  55  -0.582  -9.084 -13.713
  371   2HB   LYS  55          2HB       LYS  55  -1.849  -8.662 -14.864
  372   1HG   LYS  55          1HG       LYS  55   0.166  -6.683 -15.113
  373   2HG   LYS  55          2HG       LYS  55   0.989  -8.242 -15.090
  374   1HD   LYS  55          1HD       LYS  55   0.469  -8.210 -17.321
  375   2HD   LYS  55          2HD       LYS  55  -1.065  -8.851 -16.732
  376   1HE   LYS  55          1HE       LYS  55  -1.706  -6.321 -16.459
  377   2HE   LYS  55          2HE       LYS  55  -0.400  -6.057 -17.614
  378   1HZ   LYS  55          2HZ       LYS  55  -1.488  -7.719 -19.067
  379   2HZ   LYS  55          1HZ       LYS  55  -2.799  -7.762 -17.989
  380   3HZ   LYS  55          3HZ       LYS  55  -2.426  -6.327 -18.812
  381    H    GLN  56           H        GLN  56  -2.625  -8.362 -11.425
  382    HA   GLN  56           HA       GLN  56  -5.305  -8.317 -12.622
  383   1HB   GLN  56          1HB       GLN  56  -4.248 -10.193 -11.142
  384   2HB   GLN  56          2HB       GLN  56  -4.707  -9.157  -9.789
  385   1HG   GLN  56          1HG       GLN  56  -6.713 -10.211  -9.929
  386   2HG   GLN  56          2HG       GLN  56  -6.999  -9.143 -11.303
  387   1HE2  GLN  56          2HE2      GLN  56  -5.759 -11.894 -13.555
  388   2HE2  GLN  56          1HE2      GLN  56  -5.187 -10.341 -13.182
  389    H    VAL  57           H        VAL  57  -3.632  -6.783  -9.895
  390    HA   VAL  57           HA       VAL  57  -5.979  -5.351  -8.983
  391    HB   VAL  57           HB       VAL  57  -4.402  -4.090  -7.596
  392   1HG1  VAL  57          1HG1      VAL  57  -4.211  -7.062  -7.861
  393   2HG1  VAL  57          3HG1      VAL  57  -3.128  -6.246  -6.734
  394   3HG1  VAL  57          2HG1      VAL  57  -4.875  -6.091  -6.545
  395   1HG2  VAL  57          1HG2      VAL  57  -2.607  -4.744  -9.728
  396   2HG2  VAL  57          3HG2      VAL  57  -2.302  -3.715  -8.330
  397   3HG2  VAL  57          2HG2      VAL  57  -1.965  -5.444  -8.242
  398    H    ILE  58           H        ILE  58  -4.059  -4.984 -11.730
  399    HA   ILE  58           HA       ILE  58  -3.992  -2.103 -11.823
  400    HB   ILE  58           HB       ILE  58  -3.201  -4.353 -13.542
  401   1HG1  ILE  58          1HG1      ILE  58  -2.231  -1.501 -13.622
  402   2HG1  ILE  58          2HG1      ILE  58  -1.870  -2.542 -12.246
  403   1HG2  ILE  58          1HG2      ILE  58  -4.430  -1.891 -14.818
  404   2HG2  ILE  58          3HG2      ILE  58  -3.196  -2.850 -15.636
  405   3HG2  ILE  58          2HG2      ILE  58  -4.740  -3.584 -15.202
  406   1HD1  ILE  58          3HD1      ILE  58  -1.236  -4.196 -14.329
  407   2HD1  ILE  58          2HD1      ILE  58  -0.801  -2.626 -15.002
  408   3HD1  ILE  58          1HD1      ILE  58  -0.068  -3.173 -13.493
  409    H    GLY  59           H        GLY  59  -5.684  -0.837 -12.045
  410   1HA   GLY  59          1HA       GLY  59  -7.662  -0.056 -13.218
  411   2HA   GLY  59          2HA       GLY  59  -7.962  -1.714 -13.750
  412    H    LYS  60           H        LYS  60  -7.262  -2.584 -10.895
  413    HA   LYS  60           HA       LYS  60  -9.996  -2.493  -9.873
  414   1HB   LYS  60          1HB       LYS  60  -7.599  -3.520  -8.341
  415   2HB   LYS  60          2HB       LYS  60  -9.274  -4.064  -8.247
  416   1HG   LYS  60          1HG       LYS  60  -7.367  -4.482 -10.571
  417   2HG   LYS  60          2HG       LYS  60  -7.979  -5.719  -9.475
  418   1HD   LYS  60          1HD       LYS  60 -10.321  -4.652 -10.340
  419   2HD   LYS  60          2HD       LYS  60  -9.317  -4.395 -11.767
  420   1HE   LYS  60          1HE       LYS  60  -9.135  -6.629 -12.205
  421   2HE   LYS  60          2HE       LYS  60  -9.065  -7.060 -10.498
  422   1HZ   LYS  60          1HZ       LYS  60 -11.571  -6.029 -11.640
  423   2HZ   LYS  60          3HZ       LYS  60 -11.149  -7.652 -11.886
  424   3HZ   LYS  60          2HZ       LYS  60 -11.339  -7.056 -10.305
  425    H    ASN  61           H        ASN  61 -10.657  -1.391  -7.989
  426    HA   ASN  61           HA       ASN  61  -8.960   0.921  -7.287
  427   1HB   ASN  61          1HB       ASN  61 -11.798   0.331  -7.295
  428   2HB   ASN  61          2HB       ASN  61 -11.300   0.948  -5.720
  429   1HD2  ASN  61          2HD2      ASN  61 -10.474   3.390  -8.935
  430   2HD2  ASN  61          1HD2      ASN  61 -10.246   1.716  -9.094
  431    H    PHE  62           H        PHE  62  -7.622   0.810  -5.554
  432    HA   PHE  62           HA       PHE  62  -7.457  -1.448  -3.812
  433   1HB   PHE  62          1HB       PHE  62  -5.599   0.133  -4.128
  434   2HB   PHE  62          2HB       PHE  62  -6.540   1.406  -3.346
  435    HD1  PHE  62           HD1      PHE  62  -4.847  -1.828  -2.841
  436    HD2  PHE  62           HD2      PHE  62  -6.860   1.455  -0.957
  437    HE1  PHE  62           HE1      PHE  62  -4.054  -2.606  -0.609
  438    HE2  PHE  62           HE2      PHE  62  -6.067   0.674   1.262
  439    HZ   PHE  62           HZ       PHE  62  -4.695  -1.375   1.431
  440    H    PHE  63           H        PHE  63  -9.616   1.247  -3.777
  441    HA   PHE  63           HA       PHE  63 -10.443   0.519  -0.995
  442   1HB   PHE  63          1HB       PHE  63 -10.433   3.143  -2.475
  443   2HB   PHE  63          2HB       PHE  63 -11.541   2.883  -1.129
  444    HD1  PHE  63           HD2      PHE  63 -10.569   2.134   1.115
  445    HD2  PHE  63           HD1      PHE  63  -8.162   3.659  -2.098
  446    HE1  PHE  63           HE2      PHE  63  -8.737   2.608   2.715
  447    HE2  PHE  63           HE1      PHE  63  -6.328   4.139  -0.495
  448    HZ   PHE  63           HZ       PHE  63  -6.616   3.613   1.911
  449    H    LYS  64           H        LYS  64 -11.330  -0.753  -3.527
  450    HA   LYS  64           HA       LYS  64 -14.220  -0.407  -3.099
  451   1HB   LYS  64          1HB       LYS  64 -13.331   1.264  -4.891
  452   2HB   LYS  64          2HB       LYS  64 -13.214  -0.162  -5.922
  453   1HG   LYS  64          1HG       LYS  64 -15.426  -0.086  -6.310
  454   2HG   LYS  64          2HG       LYS  64 -15.748  -0.209  -4.580
  455   1HD   LYS  64          1HD       LYS  64 -15.056   2.359  -4.622
  456   2HD   LYS  64          2HD       LYS  64 -15.563   2.227  -6.306
  457   1HE   LYS  64          1HE       LYS  64 -17.740   1.310  -5.578
  458   2HE   LYS  64          2HE       LYS  64 -17.237   1.464  -3.894
  459   1HZ   LYS  64          1HZ       LYS  64 -16.765   3.917  -4.700
  460   2HZ   LYS  64          3HZ       LYS  64 -17.991   3.534  -5.809
  461   3HZ   LYS  64          2HZ       LYS  64 -18.295   3.434  -4.139
  462    H    ASP  65           H        ASP  65 -11.874  -1.934  -5.370
  463    HA   ASP  65           HA       ASP  65 -13.460  -4.441  -4.999
  464   1HB   ASP  65          1HB       ASP  65 -12.784  -3.001  -7.397
  465   2HB   ASP  65          2HB       ASP  65 -12.059  -4.608  -7.445
  466    H    VAL  66           H        VAL  66 -10.700  -3.329  -3.802
  467    HA   VAL  66           HA       VAL  66  -9.207  -5.832  -4.492
  468    HB   VAL  66           HB       VAL  66  -8.094  -3.207  -3.482
  469   1HG1  VAL  66          1HG1      VAL  66  -7.055  -5.906  -3.908
  470   2HG1  VAL  66          3HG1      VAL  66  -6.097  -4.653  -4.699
  471   3HG1  VAL  66          2HG1      VAL  66  -6.399  -4.568  -2.965
  472   1HG2  VAL  66          1HG2      VAL  66  -9.058  -3.322  -5.894
  473   2HG2  VAL  66          3HG2      VAL  66  -7.437  -2.673  -5.648
  474   3HG2  VAL  66          2HG2      VAL  66  -7.647  -4.329  -6.222
  475    H    ALA  67           H        ALA  67  -9.525  -3.350  -2.000
  476    HA   ALA  67           HA       ALA  67  -9.331  -5.490   0.067
  477   1HB   ALA  67          2HB       ALA  67  -8.226  -2.716  -0.149
  478   2HB   ALA  67          1HB       ALA  67  -8.614  -3.349   1.450
  479   3HB   ALA  67          3HB       ALA  67  -7.445  -4.187   0.430
  480    HA   PRO  68           HA       PRO  68 -13.535  -3.777   0.484
  481   1HB   PRO  68          1HB       PRO  68 -14.574  -6.025   1.686
  482   2HB   PRO  68          2HB       PRO  68 -14.450  -5.812  -0.069
  483   1HG   PRO  68          1HG       PRO  68 -12.765  -7.484   1.748
  484   2HG   PRO  68          2HG       PRO  68 -13.156  -7.728   0.037
  485   1HD   PRO  68          1HD       PRO  68 -10.724  -6.710   1.012
  486   2HD   PRO  68          2HD       PRO  68 -11.305  -6.558  -0.660
  487    H    CYS  69           H        CYS  69 -11.099  -4.412   2.671
  488    HA   CYS  69           HA       CYS  69 -12.802  -3.845   5.038
  489   1HB   CYS  69          1HB       CYS  69 -10.961  -4.635   6.371
  490   2HB   CYS  69          2HB       CYS  69 -11.154  -5.787   5.050
  491    H    THR  70           H        THR  70 -10.336  -2.506   2.959
  492    HA   THR  70           HA       THR  70  -9.488  -0.400   4.746
  493    HB   THR  70           HB       THR  70  -8.494   0.595   2.687
  494    HG1  THR  70           HG1      THR  70 -10.345  -0.364   1.404
  495   1HG2  THR  70          2HG2      THR  70  -8.061  -2.132   3.679
  496   2HG2  THR  70          1HG2      THR  70  -7.443  -1.873   2.048
  497   3HG2  THR  70          3HG2      THR  70  -6.892  -0.848   3.372
  498    H    ASP  71           H        ASP  71 -12.410  -0.892   3.137
  499    HA   ASP  71           HA       ASP  71 -12.951   1.948   2.594
  500   1HB   ASP  71          1HB       ASP  71 -13.919   0.040   1.229
  501   2HB   ASP  71          2HB       ASP  71 -14.910  -0.367   2.630
  502    H    SER  72           H        SER  72 -12.407   2.445   4.957
  503    HA   SER  72           HA       SER  72 -14.907   2.669   6.457
  504   1HB   SER  72          1HB       SER  72 -12.798   1.460   8.130
  505   2HB   SER  72          2HB       SER  72 -14.533   1.159   8.117
  506    HG   SER  72           HG       SER  72 -12.566   0.165   6.328
  507    HA   PRO  73           HA       PRO  73 -12.807   6.143   8.168
  508   1HB   PRO  73          1HB       PRO  73 -13.708   6.200  10.764
  509   2HB   PRO  73          2HB       PRO  73 -14.708   6.644   9.369
  510   1HG   PRO  73          1HG       PRO  73 -14.804   4.174  11.034
  511   2HG   PRO  73          2HG       PRO  73 -16.090   4.940  10.087
  512   1HD   PRO  73          1HD       PRO  73 -14.594   2.661   9.325
  513   2HD   PRO  73          2HD       PRO  73 -15.654   3.617   8.269
  514    H    GLU  74           H        GLU  74 -10.725   4.895   7.999
  515    HA   GLU  74           HA       GLU  74  -9.045   5.200  10.229
  516   1HB   GLU  74          1HB       GLU  74 -10.598   2.715  10.251
  517   2HB   GLU  74          2HB       GLU  74  -8.858   2.435  10.296
  518   1HG   GLU  74          1HG       GLU  74  -9.987   4.552  12.081
  519   2HG   GLU  74          2HG       GLU  74 -10.230   2.865  12.535
  520    H    PHE  75           H        PHE  75  -9.856   3.254   7.422
  521    HA   PHE  75           HA       PHE  75  -6.983   3.219   6.623
  522   1HB   PHE  75          1HB       PHE  75  -8.654   1.108   6.642
  523   2HB   PHE  75          2HB       PHE  75  -9.063   1.754   5.051
  524    HD1  PHE  75           HD2      PHE  75  -7.011   2.454   3.556
  525    HD2  PHE  75           HD1      PHE  75  -6.792  -0.314   6.833
  526    HE1  PHE  75           HE2      PHE  75  -4.919   1.521   2.623
  527    HE2  PHE  75           HE1      PHE  75  -4.680  -1.240   5.905
  528    HZ   PHE  75           HZ       PHE  75  -3.748  -0.323   3.799
  529    H    TYR  76           H        TYR  76 -10.175   3.459   4.986
  530    HA   TYR  76           HA       TYR  76  -9.035   5.235   2.966
  531   1HB   TYR  76          1HB       TYR  76 -11.033   3.629   2.635
  532   2HB   TYR  76          2HB       TYR  76 -11.990   4.851   3.476
  533    HD1  TYR  76           HD1      TYR  76  -9.155   5.144   1.036
  534    HD2  TYR  76           HD2      TYR  76 -13.278   6.001   1.887
  535    HE1  TYR  76           HE1      TYR  76  -9.305   6.482  -1.049
  536    HE2  TYR  76           HE2      TYR  76 -13.430   7.336  -0.198
  537    HH   TYR  76           HH       TYR  76 -11.919   7.212  -2.574
  538    H    GLY  77           H        GLY  77 -10.452   5.562   6.097
  539   1HA   GLY  77          1HA       GLY  77 -11.473   8.222   5.917
  540   2HA   GLY  77          2HA       GLY  77 -10.925   7.446   7.394
  541    H    LYS  78           H        LYS  78  -8.361   7.140   7.304
  542    HA   LYS  78           HA       LYS  78  -7.279   9.793   7.428
  543   1HB   LYS  78          1HB       LYS  78  -5.557   7.334   7.185
  544   2HB   LYS  78          2HB       LYS  78  -5.267   8.795   8.127
  545   1HG   LYS  78          1HG       LYS  78  -7.119   6.499   8.723
  546   2HG   LYS  78          2HG       LYS  78  -5.932   7.261   9.776
  547   1HD   LYS  78          1HD       LYS  78  -7.554   9.378   9.362
  548   2HD   LYS  78          2HD       LYS  78  -8.731   8.083   9.152
  549   1HE   LYS  78          1HE       LYS  78  -8.746   8.649  11.491
  550   2HE   LYS  78          2HE       LYS  78  -7.901   7.109  11.348
  551   1HZ   LYS  78          2HZ       LYS  78  -6.301   9.542  11.159
  552   2HZ   LYS  78          1HZ       LYS  78  -6.904   9.129  12.692
  553   3HZ   LYS  78          3HZ       LYS  78  -5.915   8.038  11.850
  554    H    PHE  79           H        PHE  79  -7.669   7.638   4.807
  555    HA   PHE  79           HA       PHE  79  -5.556   8.761   3.172
  556   1HB   PHE  79          1HB       PHE  79  -6.231   6.501   2.738
  557   2HB   PHE  79          2HB       PHE  79  -7.922   6.970   2.650
  558    HD1  PHE  79           HD1      PHE  79  -8.593   8.620   0.746
  559    HD2  PHE  79           HD2      PHE  79  -4.922   6.372   0.755
  560    HE1  PHE  79           HE1      PHE  79  -8.415   8.875  -1.720
  561    HE2  PHE  79           HE2      PHE  79  -4.785   6.601  -1.687
  562    HZ   PHE  79           HZ       PHE  79  -6.500   7.862  -2.925
  563    H    LYS  80           H        LYS  80  -9.002   9.217   3.649
  564    HA   LYS  80           HA       LYS  80  -9.249  11.137   1.518
  565   1HB   LYS  80          1HB       LYS  80 -10.998   9.831   3.459
  566   2HB   LYS  80          2HB       LYS  80 -11.395  11.531   3.217
  567   1HG   LYS  80          1HG       LYS  80 -10.817  10.198   0.693
  568   2HG   LYS  80          2HG       LYS  80 -12.141   9.413   1.556
  569   1HD   LYS  80          1HD       LYS  80 -12.228  12.369   1.557
  570   2HD   LYS  80          2HD       LYS  80 -12.461  11.614  -0.021
  571   1HE   LYS  80          1HE       LYS  80 -14.014  10.035   1.624
  572   2HE   LYS  80          2HE       LYS  80 -14.237  11.643   2.317
  573   1HZ   LYS  80          1HZ       LYS  80 -14.362  11.371  -0.593
  574   2HZ   LYS  80          3HZ       LYS  80 -15.681  10.802   0.309
  575   3HZ   LYS  80          2HZ       LYS  80 -15.205  12.429   0.436
  576    H    GLU  81           H        GLU  81  -7.881  11.161   4.565
  577    HA   GLU  81           HA       GLU  81  -8.554  14.016   5.093
  578   1HB   GLU  81          1HB       GLU  81  -6.832  12.135   6.741
  579   2HB   GLU  81          2HB       GLU  81  -7.510  13.681   7.255
  580   1HG   GLU  81          1HG       GLU  81  -9.517  11.792   6.230
  581   2HG   GLU  81          2HG       GLU  81  -8.691  11.230   7.684
  582    H    GLY  82           H        GLY  82  -5.846  11.857   4.472
  583   1HA   GLY  82          1HA       GLY  82  -3.823  13.928   4.424
  584   2HA   GLY  82          2HA       GLY  82  -3.650  12.306   3.736
  585    H    VAL  83           H        VAL  83  -5.860  12.352   1.994
  586    HA   VAL  83           HA       VAL  83  -4.745  13.630  -0.312
  587    HB   VAL  83           HB       VAL  83  -7.598  12.718   0.182
  588   1HG1  VAL  83          3HG1      VAL  83  -6.415  14.126  -2.001
  589   2HG1  VAL  83          2HG1      VAL  83  -6.742  12.478  -2.537
  590   3HG1  VAL  83          1HG1      VAL  83  -8.047  13.468  -1.888
  591   1HG2  VAL  83          1HG2      VAL  83  -5.322  11.174   0.198
  592   2HG2  VAL  83          3HG2      VAL  83  -6.925  10.589  -0.248
  593   3HG2  VAL  83          2HG2      VAL  83  -5.797  11.099  -1.497
  594    H    ALA  84           H        ALA  84  -7.290  14.621   1.958
  595    HA   ALA  84           HA       ALA  84  -7.745  17.117   0.448
  596   1HB   ALA  84          3HB       ALA  84  -8.973  15.996   2.980
  597   2HB   ALA  84          2HB       ALA  84  -9.418  17.555   2.285
  598   3HB   ALA  84          1HB       ALA  84  -9.709  16.070   1.378
  599    H    SER  85           H        SER  85  -5.525  16.112   2.777
  600    HA   SER  85           HA       SER  85  -5.420  18.782   4.078
  601   1HB   SER  85          1HB       SER  85  -5.245  16.606   5.408
  602   2HB   SER  85          2HB       SER  85  -3.658  16.396   4.674
  603    HG   SER  85           HG       SER  85  -3.227  17.521   6.474
  604    H    GLY  86           H        GLY  86  -3.810  16.869   1.671
  605   1HA   GLY  86          1HA       GLY  86  -2.198  17.657   0.109
  606   2HA   GLY  86          2HA       GLY  86  -2.033  19.134   1.066
  607    H    ASN  87           H        ASN  87  -1.865  16.030   2.630
  608    HA   ASN  87           HA       ASN  87   1.000  15.691   2.477
  609   1HB   ASN  87          1HB       ASN  87   1.442  16.260   4.891
  610   2HB   ASN  87          2HB       ASN  87   1.058  17.667   3.898
  611   1HD2  ASN  87          2HD2      ASN  87  -1.229  16.921   7.077
  612   2HD2  ASN  87          1HD2      ASN  87   0.309  16.245   6.834
  613    H    LEU  88           H        LEU  88  -0.338  13.652   1.973
  614    HA   LEU  88           HA       LEU  88  -1.665  12.271   4.127
  615   1HB   LEU  88          1HB       LEU  88  -1.716  11.905   1.496
  616   2HB   LEU  88          2HB       LEU  88  -0.422  10.762   1.865
  617    HG   LEU  88           HG       LEU  88  -2.683  10.564   3.719
  618   1HD1  LEU  88          3HD1      LEU  88  -3.442  11.069   1.111
  619   2HD1  LEU  88          2HD1      LEU  88  -3.389   9.306   1.159
  620   3HD1  LEU  88          1HD1      LEU  88  -4.407  10.190   2.296
  621   1HD2  LEU  88          2HD2      LEU  88  -0.647   8.993   3.220
  622   2HD2  LEU  88          1HD2      LEU  88  -2.222   8.268   3.534
  623   3HD2  LEU  88          3HD2      LEU  88  -1.637   8.422   1.877
  624    H    ASN  89           H        ASN  89  -0.664  11.452   5.879
  625    HA   ASN  89           HA       ASN  89   1.700   9.768   5.598
  626   1HB   ASN  89          1HB       ASN  89   2.378  12.351   5.791
  627   2HB   ASN  89          2HB       ASN  89   2.120  12.031   7.506
  628   1HD2  ASN  89          2HD2      ASN  89   5.673  11.159   6.626
  629   2HD2  ASN  89          1HD2      ASN  89   4.744  12.573   6.491
  630    H    THR  90           H        THR  90   0.036   8.325   6.540
  631    HA   THR  90           HA       THR  90  -0.064   8.643   9.503
  632    HB   THR  90           HB       THR  90  -2.200   9.503   8.732
  633    HG1  THR  90           HG1      THR  90  -2.242   8.103  10.532
  634   1HG2  THR  90          3HG2      THR  90  -1.896   7.340   6.797
  635   2HG2  THR  90          2HG2      THR  90  -3.502   7.364   7.526
  636   3HG2  THR  90          1HG2      THR  90  -2.885   8.797   6.702
  637    H    MET  91           H        MET  91  -0.973   6.540  10.500
  638    HA   MET  91           HA       MET  91  -0.511   4.115   8.894
  639   1HB   MET  91          1HB       MET  91   1.131   3.242  10.605
  640   2HB   MET  91          2HB       MET  91   1.755   4.568   9.623
  641   1HG   MET  91          2HG       MET  91   1.043   6.147  11.463
  642   2HG   MET  91          1HG       MET  91   0.678   4.732  12.450
  643   1HE   MET  91          1HE       MET  91   1.877   4.896  14.201
  644   2HE   MET  91          3HE       MET  91   2.714   3.376  13.856
  645   3HE   MET  91          2HE       MET  91   3.622   4.776  14.420
  646    H    PHE  92           H        PHE  92  -0.925   2.125  10.396
  647    HA   PHE  92           HA       PHE  92  -2.237   2.426  12.903
  648   1HB   PHE  92          1HB       PHE  92  -4.614   2.007  12.147
  649   2HB   PHE  92          2HB       PHE  92  -4.002   3.622  11.796
  650    HD1  PHE  92           HD1      PHE  92  -4.423   0.229  10.285
  651    HD2  PHE  92           HD2      PHE  92  -3.957   4.436   9.597
  652    HE1  PHE  92           HE1      PHE  92  -4.840  -0.121   7.861
  653    HE2  PHE  92           HE2      PHE  92  -4.375   4.089   7.177
  654    HZ   PHE  92           HZ       PHE  92  -4.791   1.811   6.310
  655    H    GLU  93           H        GLU  93  -3.026   0.395  13.711
  656    HA   GLU  93           HA       GLU  93  -1.822  -1.903  12.369
  657   1HB   GLU  93          1HB       GLU  93  -2.333  -1.308  14.995
  658   2HB   GLU  93          2HB       GLU  93  -3.650  -2.422  14.625
  659   1HG   GLU  93          1HG       GLU  93  -1.758  -3.858  13.509
  660   2HG   GLU  93          2HG       GLU  93  -0.686  -2.906  14.536
  661    H    TYR  94           H        TYR  94  -2.866  -2.924  10.745
  662    HA   TYR  94           HA       TYR  94  -5.850  -3.045  10.883
  663   1HB   TYR  94          1HB       TYR  94  -4.239  -1.960   8.861
  664   2HB   TYR  94          2HB       TYR  94  -4.750  -3.529   8.235
  665    HD1  TYR  94           HD1      TYR  94  -6.166  -0.590  10.091
  666    HD2  TYR  94           HD2      TYR  94  -6.817  -3.672   7.173
  667    HE1  TYR  94           HE1      TYR  94  -8.422   0.326   9.629
  668    HE2  TYR  94           HE2      TYR  94  -9.075  -2.756   6.710
  669    HH   TYR  94           HH       TYR  94 -10.754  -1.001   8.542
  670    H    THR  95           H        THR  95  -6.626  -4.977   9.439
  671    HA   THR  95           HA       THR  95  -4.810  -7.308   9.608
  672    HB   THR  95           HB       THR  95  -7.546  -7.217  10.922
  673    HG1  THR  95           HG1      THR  95  -6.326  -6.506  12.479
  674   1HG2  THR  95          2HG2      THR  95  -6.263  -9.375   9.726
  675   2HG2  THR  95          1HG2      THR  95  -5.839  -9.532  11.431
  676   3HG2  THR  95          3HG2      THR  95  -7.533  -9.474  10.944
  677    H    PHE  96           H        PHE  96  -4.887  -7.949   7.497
  678    HA   PHE  96           HA       PHE  96  -7.369  -7.589   5.952
  679   1HB   PHE  96          1HB       PHE  96  -4.753  -8.872   5.103
  680   2HB   PHE  96          2HB       PHE  96  -6.070  -8.386   4.038
  681    HD1  PHE  96           HD1      PHE  96  -6.663  -5.785   5.770
  682    HD2  PHE  96           HD2      PHE  96  -3.136  -7.429   3.943
  683    HE1  PHE  96           HE1      PHE  96  -5.693  -3.512   5.593
  684    HE2  PHE  96           HE2      PHE  96  -2.170  -5.152   3.771
  685    HZ   PHE  96           HZ       PHE  96  -3.446  -3.195   4.595
  686    H    ASP  97           H        ASP  97  -8.928  -9.088   5.955
  687    HA   ASP  97           HA       ASP  97  -8.243 -11.960   5.941
  688   1HB   ASP  97          1HB       ASP  97 -10.067 -12.317   7.719
  689   2HB   ASP  97          2HB       ASP  97  -8.529 -11.679   8.299
  690    H    TYR  98           H        TYR  98  -9.062 -10.758   3.785
  691    HA   TYR  98           HA       TYR  98 -11.953 -10.502   3.529
  692   1HB   TYR  98          1HB       TYR  98 -11.361 -10.352   1.046
  693   2HB   TYR  98          2HB       TYR  98 -10.666  -9.119   2.090
  694    HD1  TYR  98           HD1      TYR  98  -9.260 -12.541   2.258
  695    HD2  TYR  98           HD2      TYR  98  -8.913  -8.685   0.381
  696    HE1  TYR  98           HE1      TYR  98  -7.027 -13.141   1.452
  697    HE2  TYR  98           HE2      TYR  98  -6.640  -9.301  -0.419
  698    HH   TYR  98           HH       TYR  98  -4.796 -11.290   0.668
  699    H    GLN  99           H        GLN  99 -12.123 -12.919   4.439
  700    HA   GLN  99           HA       GLN  99 -12.948 -15.038   3.939
  701   1HB   GLN  99          1HB       GLN  99 -14.064 -15.269   1.971
  702   2HB   GLN  99          2HB       GLN  99 -13.657 -13.577   1.744
  703   1HG   GLN  99          1HG       GLN  99 -11.417 -14.727   0.706
  704   2HG   GLN  99          2HG       GLN  99 -12.601 -15.985   0.356
  705   1HE2  GLN  99          2HE2      GLN  99 -14.615 -13.655  -1.665
  706   2HE2  GLN  99          1HE2      GLN  99 -14.868 -14.757  -0.399
  707    H    MET 100           H        MET 100 -10.051 -14.322   4.194
  708    HA   MET 100           HA       MET 100  -8.999 -16.876   3.095
  709   1HB   MET 100          1HB       MET 100  -8.377 -14.524   1.870
  710   2HB   MET 100          2HB       MET 100  -7.116 -14.579   3.099
  711   1HG   MET 100          2HG       MET 100  -7.335 -17.195   1.989
  712   2HG   MET 100          1HG       MET 100  -7.272 -16.057   0.644
  713   1HE   MET 100          1HE       MET 100  -5.889 -14.349   0.319
  714   2HE   MET 100          3HE       MET 100  -4.998 -13.625   1.666
  715   3HE   MET 100          2HE       MET 100  -4.138 -14.525   0.420
  716    H    THR 101           H        THR 101  -6.479 -16.813   4.112
  717    HA   THR 101           HA       THR 101  -6.857 -17.315   6.870
  718    HB   THR 101           HB       THR 101  -4.406 -17.399   7.006
  719    HG1  THR 101           HG1      THR 101  -3.248 -16.739   5.091
  720   1HG2  THR 101          1HG2      THR 101  -6.001 -18.806   5.128
  721   2HG2  THR 101          3HG2      THR 101  -4.453 -18.474   4.350
  722   3HG2  THR 101          2HG2      THR 101  -4.500 -19.339   5.885
  723    HA   PRO 102           HA       PRO 102  -6.687 -13.323   8.692
  724   1HB   PRO 102          1HB       PRO 102  -5.374 -13.848  11.055
  725   2HB   PRO 102          2HB       PRO 102  -7.064 -14.285  10.748
  726   1HG   PRO 102          1HG       PRO 102  -4.650 -16.038  10.810
  727   2HG   PRO 102          2HG       PRO 102  -6.341 -16.443  11.154
  728   1HD   PRO 102          1HD       PRO 102  -4.970 -17.031   8.766
  729   2HD   PRO 102          2HD       PRO 102  -6.730 -17.077   8.983
  730    H    THR 103           H        THR 103  -5.385 -11.647   8.130
  731    HA   THR 103           HA       THR 103  -2.425 -12.067   8.204
  732    HB   THR 103           HB       THR 103  -4.149 -10.478   6.282
  733    HG1  THR 103           HG1      THR 103  -2.343 -12.636   6.112
  734   1HG2  THR 103          3HG2      THR 103  -1.347 -10.024   7.116
  735   2HG2  THR 103          2HG2      THR 103  -1.581 -10.144   5.372
  736   3HG2  THR 103          1HG2      THR 103  -2.469  -8.935   6.300
  737    H    LYS 104           H        LYS 104  -1.385 -10.764   9.607
  738    HA   LYS 104           HA       LYS 104  -2.828  -8.331  10.570
  739   1HB   LYS 104          1HB       LYS 104  -1.972 -10.224  12.198
  740   2HB   LYS 104          2HB       LYS 104  -0.389  -9.498  11.915
  741   1HG   LYS 104          1HG       LYS 104  -0.870  -7.679  13.172
  742   2HG   LYS 104          2HG       LYS 104  -2.486  -7.523  12.482
  743   1HD   LYS 104          1HD       LYS 104  -3.272  -8.272  14.463
  744   2HD   LYS 104          2HD       LYS 104  -2.635  -9.853  14.006
  745   1HE   LYS 104          1HE       LYS 104  -0.406  -9.106  14.980
  746   2HE   LYS 104          2HE       LYS 104  -1.262  -7.716  15.651
  747   1HZ   LYS 104          1HZ       LYS 104  -1.997 -10.551  16.139
  748   2HZ   LYS 104          3HZ       LYS 104  -1.102  -9.589  17.211
  749   3HZ   LYS 104          2HZ       LYS 104  -2.711  -9.183  16.851
  750    H    VAL 105           H        VAL 105  -1.782  -6.335  10.240
  751    HA   VAL 105           HA       VAL 105   1.050  -6.357   9.364
  752    HB   VAL 105           HB       VAL 105   0.671  -5.266   7.275
  753   1HG1  VAL 105          1HG1      VAL 105   0.340  -7.772   7.382
  754   2HG1  VAL 105          3HG1      VAL 105  -1.398  -7.480   7.432
  755   3HG1  VAL 105          2HG1      VAL 105  -0.460  -6.995   6.018
  756   1HG2  VAL 105          1HG2      VAL 105  -2.069  -4.847   8.352
  757   2HG2  VAL 105          3HG2      VAL 105  -1.101  -3.812   7.301
  758   3HG2  VAL 105          2HG2      VAL 105  -1.973  -5.187   6.624
  759    H    LYS 106           H        LYS 106   2.041  -4.373   9.783
  760    HA   LYS 106           HA       LYS 106   0.325  -2.322  11.101
  761   1HB   LYS 106          1HB       LYS 106   2.497  -1.186  11.664
  762   2HB   LYS 106          2HB       LYS 106   2.396  -2.809  12.337
  763   1HG   LYS 106          1HG       LYS 106   3.564  -2.688   9.639
  764   2HG   LYS 106          2HG       LYS 106   4.509  -1.865  10.874
  765   1HD   LYS 106          1HD       LYS 106   3.453  -4.685  11.207
  766   2HD   LYS 106          2HD       LYS 106   5.065  -4.323  10.593
  767   1HE   LYS 106          1HE       LYS 106   5.039  -2.767  12.820
  768   2HE   LYS 106          2HE       LYS 106   4.003  -4.092  13.347
  769   1HZ   LYS 106          2HZ       LYS 106   6.209  -5.161  11.974
  770   2HZ   LYS 106          1HZ       LYS 106   6.786  -4.066  13.137
  771   3HZ   LYS 106          3HZ       LYS 106   5.787  -5.352  13.609
  772    H    VAL 107           H        VAL 107  -0.297  -0.597   9.811
  773    HA   VAL 107           HA       VAL 107   0.749  -0.681   7.044
  774    HB   VAL 107           HB       VAL 107  -1.306   0.316   6.389
  775   1HG1  VAL 107          2HG1      VAL 107  -1.650  -1.889   7.436
  776   2HG1  VAL 107          1HG1      VAL 107  -2.030  -1.074   8.953
  777   3HG1  VAL 107          3HG1      VAL 107  -3.062  -0.837   7.544
  778   1HG2  VAL 107          3HG2      VAL 107  -0.909   2.104   8.454
  779   2HG2  VAL 107          2HG2      VAL 107  -2.342   2.015   7.469
  780   3HG2  VAL 107          1HG2      VAL 107  -2.281   1.186   9.011
  781    H    HIS 108           H        HIS 108   1.190   1.333   5.889
  782    HA   HIS 108           HA       HIS 108   1.590   3.790   7.401
  783   1HB   HIS 108          1HB       HIS 108   3.739   2.165   7.609
  784   2HB   HIS 108          2HB       HIS 108   4.115   2.960   6.077
  785    HD1  HIS 108           HD1      HIS 108   5.603   3.556   8.854
  786    HD2  HIS 108           HD2      HIS 108   2.570   5.856   7.145
  787    HE1  HIS 108           HE1      HIS 108   5.821   5.878   9.846
  788    H    MET 109           H        MET 109   0.379   4.860   5.903
  789    HA   MET 109           HA       MET 109   1.166   4.582   3.029
  790   1HB   MET 109          1HB       MET 109  -1.361   5.990   3.654
  791   2HB   MET 109          2HB       MET 109  -1.051   4.738   2.462
  792   1HG   MET 109          2HG       MET 109  -2.385   3.506   3.880
  793   2HG   MET 109          1HG       MET 109  -0.855   3.239   4.714
  794   1HE   MET 109          2HE       MET 109  -3.667   5.605   4.118
  795   2HE   MET 109          1HE       MET 109  -4.510   4.496   5.197
  796   3HE   MET 109          3HE       MET 109  -4.211   6.166   5.698
  797    H    LYS 110           H        LYS 110   1.562   6.541   1.776
  798    HA   LYS 110           HA       LYS 110   1.423   9.065   3.384
  799   1HB   LYS 110          1HB       LYS 110   3.791   7.754   3.091
  800   2HB   LYS 110          2HB       LYS 110   3.823   8.792   1.669
  801   1HG   LYS 110          1HG       LYS 110   3.431  10.762   3.108
  802   2HG   LYS 110          2HG       LYS 110   3.363   9.717   4.523
  803   1HD   LYS 110          1HD       LYS 110   5.628   9.395   4.563
  804   2HD   LYS 110          2HD       LYS 110   5.765   9.423   2.805
  805   1HE   LYS 110          1HE       LYS 110   4.982  11.970   4.142
  806   2HE   LYS 110          2HE       LYS 110   6.655  11.445   4.331
  807   1HZ   LYS 110          1HZ       LYS 110   5.228  11.749   1.745
  808   2HZ   LYS 110          3HZ       LYS 110   6.363  12.840   2.373
  809   3HZ   LYS 110          2HZ       LYS 110   6.846  11.271   1.937
  810    H    LYS 111           H        LYS 111   2.598  10.730   1.430
  811    HA   LYS 111           HA       LYS 111   0.559  10.486  -0.723
  812   1HB   LYS 111          1HB       LYS 111   0.540  12.589   0.586
  813   2HB   LYS 111          2HB       LYS 111   2.214  12.887   0.111
  814   1HG   LYS 111          1HG       LYS 111   1.374  13.949  -1.690
  815   2HG   LYS 111          2HG       LYS 111   0.936  12.357  -2.300
  816   1HD   LYS 111          1HD       LYS 111  -1.241  12.885  -2.130
  817   2HD   LYS 111          2HD       LYS 111  -1.044  13.145  -0.397
  818   1HE   LYS 111          1HE       LYS 111  -0.409  15.217  -2.518
  819   2HE   LYS 111          2HE       LYS 111  -1.912  15.164  -1.596
  820   1HZ   LYS 111          1HZ       LYS 111   0.795  15.363  -0.392
  821   2HZ   LYS 111          3HZ       LYS 111  -0.243  16.681  -0.646
  822   3HZ   LYS 111          2HZ       LYS 111  -0.691  15.445   0.429
  823    H    ALA 112           H        ALA 112   1.319   9.652  -2.580
  824    HA   ALA 112           HA       ALA 112   4.139   9.343  -3.107
  825   1HB   ALA 112          2HB       ALA 112   1.820   8.208  -4.036
  826   2HB   ALA 112          1HB       ALA 112   2.377   9.151  -5.420
  827   3HB   ALA 112          3HB       ALA 112   3.434   7.941  -4.697
  828    H    LEU 113           H        LEU 113   5.135  10.141  -5.185
  829    HA   LEU 113           HA       LEU 113   5.837  11.928  -6.518
  830   1HB   LEU 113          1HB       LEU 113   2.856  12.310  -6.419
  831   2HB   LEU 113          2HB       LEU 113   3.875  13.511  -7.212
  832    HG   LEU 113           HG       LEU 113   4.904  11.193  -8.232
  833   1HD1  LEU 113          3HD1      LEU 113   2.382  10.507  -7.078
  834   2HD1  LEU 113          2HD1      LEU 113   2.210  10.448  -8.833
  835   3HD1  LEU 113          1HD1      LEU 113   3.454   9.486  -8.035
  836   1HD2  LEU 113          3HD2      LEU 113   2.599  12.875  -9.265
  837   2HD2  LEU 113          2HD2      LEU 113   4.318  13.146  -9.557
  838   3HD2  LEU 113          1HD2      LEU 113   3.516  11.740 -10.254
  839    H    SER 114           H        SER 114   5.444  12.145  -3.439
  840    HA   SER 114           HA       SER 114   5.755  13.798  -1.803
  841   1HB   SER 114          1HB       SER 114   6.889  15.474  -4.045
  842   2HB   SER 114          2HB       SER 114   7.336  15.493  -2.341
  843    HG   SER 114           HG       SER 114   8.303  13.524  -2.583
  844    H    GLY 115           H        GLY 115   3.233  13.813  -3.403
  845   1HA   GLY 115          1HA       GLY 115   1.599  15.634  -2.470
  846   2HA   GLY 115          2HA       GLY 115   2.638  16.745  -3.355
  847    H    ASP 116           H        ASP 116   1.014  13.615  -4.057
  848    HA   ASP 116           HA       ASP 116  -0.526  14.831  -6.199
  849   1HB   ASP 116          1HB       ASP 116   2.045  14.229  -6.921
  850   2HB   ASP 116          2HB       ASP 116   1.203  12.738  -7.349
  851    H    SER 117           H        SER 117   0.888  11.596  -5.452
  852    HA   SER 117           HA       SER 117  -1.895  10.533  -5.690
  853   1HB   SER 117          1HB       SER 117   0.492   8.739  -5.553
  854   2HB   SER 117          2HB       SER 117  -1.022   8.519  -6.418
  855    HG   SER 117           HG       SER 117  -0.199   9.524  -8.068
  856    H    TYR 118           H        TYR 118  -1.466   8.113  -4.318
  857    HA   TYR 118           HA       TYR 118  -0.697   8.815  -1.537
  858   1HB   TYR 118          1HB       TYR 118  -3.407   7.599  -2.024
  859   2HB   TYR 118          2HB       TYR 118  -2.855   8.458  -0.596
  860    HD1  TYR 118           HD2      TYR 118  -2.500  10.970  -0.761
  861    HD2  TYR 118           HD1      TYR 118  -4.421   8.656  -3.816
  862    HE1  TYR 118           HE2      TYR 118  -3.472  13.033  -1.715
  863    HE2  TYR 118           HE1      TYR 118  -5.391  10.701  -4.771
  864    HH   TYR 118           HH       TYR 118  -4.326  13.711  -4.163
  865    H    TRP 119           H        TRP 119   0.502   7.018  -0.863
  866    HA   TRP 119           HA       TRP 119  -0.351   4.413  -1.976
  867   1HB   TRP 119          1HB       TRP 119   2.054   3.710  -1.798
  868   2HB   TRP 119          2HB       TRP 119   1.670   4.871  -3.059
  869    HD1  TRP 119           HD1      TRP 119   3.074   6.968  -3.079
  870    HE1  TRP 119           HE1      TRP 119   4.808   8.040  -1.509
  871    HE3  TRP 119           HE3      TRP 119   2.447   3.981   0.827
  872    HZ2  TRP 119           HZ2      TRP 119   5.815   7.599   1.165
  873    HZ3  TRP 119           HZ3      TRP 119   3.784   4.248   2.925
  874    HH2  TRP 119           HH2      TRP 119   5.469   6.061   3.084
  875    H    VAL 120           H        VAL 120  -0.383   2.607  -0.740
  876    HA   VAL 120           HA       VAL 120  -0.096   3.083   2.193
  877    HB   VAL 120           HB       VAL 120  -1.959   1.106   0.809
  878   1HG1  VAL 120          3HG1      VAL 120  -1.151   1.640   3.580
  879   2HG1  VAL 120          2HG1      VAL 120  -2.900   1.684   3.346
  880   3HG1  VAL 120          1HG1      VAL 120  -1.985   0.242   2.900
  881   1HG2  VAL 120          1HG2      VAL 120  -2.169   3.945   1.090
  882   2HG2  VAL 120          3HG2      VAL 120  -3.382   2.818   0.484
  883   3HG2  VAL 120          2HG2      VAL 120  -3.319   3.206   2.203
  884    H    PHE 121           H        PHE 121   1.731   2.078   2.885
  885    HA   PHE 121           HA       PHE 121   2.618  -0.403   1.551
  886   1HB   PHE 121          1HB       PHE 121   4.025   1.229   3.685
  887   2HB   PHE 121          2HB       PHE 121   4.715  -0.133   2.811
  888    HD1  PHE 121           HD1      PHE 121   2.931   1.051   0.256
  889    HD2  PHE 121           HD2      PHE 121   6.129   2.415   2.778
  890    HE1  PHE 121           HE1      PHE 121   3.678   2.598  -1.532
  891    HE2  PHE 121           HE2      PHE 121   6.842   3.992   1.009
  892    HZ   PHE 121           HZ       PHE 121   5.628   4.067  -1.150
  893    H    VAL 122           H        VAL 122   2.222  -2.359   2.464
  894    HA   VAL 122           HA       VAL 122   1.289  -2.326   5.284
  895    HB   VAL 122           HB       VAL 122   0.495  -3.820   2.848
  896   1HG1  VAL 122          1HG1      VAL 122   1.018  -5.258   5.420
  897   2HG1  VAL 122          3HG1      VAL 122  -0.467  -5.640   4.556
  898   3HG1  VAL 122          2HG1      VAL 122   1.094  -5.856   3.766
  899   1HG2  VAL 122          3HG2      VAL 122  -0.653  -2.225   4.857
  900   2HG2  VAL 122          2HG2      VAL 122  -1.488  -3.022   3.523
  901   3HG2  VAL 122          1HG2      VAL 122  -1.339  -3.833   5.083
  902    H    LYS 123           H        LYS 123   2.665  -3.031   6.725
  903    HA   LYS 123           HA       LYS 123   5.004  -4.697   5.965
  904   1HB   LYS 123          1HB       LYS 123   4.757  -2.663   7.764
  905   2HB   LYS 123          2HB       LYS 123   4.479  -4.053   8.799
  906   1HG   LYS 123          1HG       LYS 123   6.853  -3.497   8.787
  907   2HG   LYS 123          2HG       LYS 123   6.591  -5.061   8.018
  908   1HD   LYS 123          1HD       LYS 123   7.215  -4.302   5.962
  909   2HD   LYS 123          2HD       LYS 123   6.501  -2.710   6.216
  910   1HE   LYS 123          1HE       LYS 123   9.052  -2.763   6.102
  911   2HE   LYS 123          2HE       LYS 123   8.369  -1.981   7.525
  912   1HZ   LYS 123          1HZ       LYS 123   8.974  -4.857   7.597
  913   2HZ   LYS 123          3HZ       LYS 123  10.229  -3.736   7.802
  914   3HZ   LYS 123          2HZ       LYS 123   8.913  -3.739   8.875
  915    H    ARG 124           H        ARG 124   4.484  -6.888   5.819
  916    HA   ARG 124           HA       ARG 124   2.246  -7.953   7.318
  917   1HB   ARG 124          1HB       ARG 124   3.117  -8.966   5.183
  918   2HB   ARG 124          2HB       ARG 124   4.538  -9.519   6.073
  919   1HG   ARG 124          1HG       ARG 124   3.117 -10.830   7.580
  920   2HG   ARG 124          2HG       ARG 124   1.672 -10.236   6.761
  921   1HD   ARG 124          1HD       ARG 124   1.861 -12.059   5.436
  922   2HD   ARG 124          2HD       ARG 124   3.211 -11.216   4.676
  923    HE   ARG 124           HE       ARG 124   3.470 -13.300   6.792
  924   1HH1  ARG 124          2HH1      ARG 124   5.648 -11.184   6.741
  925   2HH1  ARG 124          1HH1      ARG 124   6.825 -11.930   5.712
  926   1HH2  ARG 124          1HH2      ARG 124   4.615 -14.286   4.450
  927   2HH2  ARG 124          2HH2      ARG 124   6.240 -13.686   4.414
  928    H    VAL 125           H        VAL 125   2.234  -8.198   9.428
  929    HA   VAL 125           HA       VAL 125   4.742  -8.469  10.944
  930    HB   VAL 125           HB       VAL 125   2.270  -8.748  12.508
  931   1HG1  VAL 125          2HG1      VAL 125   4.892  -7.692  12.720
  932   2HG1  VAL 125          1HG1      VAL 125   3.780  -6.351  12.995
  933   3HG1  VAL 125          3HG1      VAL 125   3.670  -7.806  13.985
  934   1HG2  VAL 125          1HG2      VAL 125   2.558  -6.471  10.575
  935   2HG2  VAL 125          3HG2      VAL 125   1.099  -7.292  11.123
  936   3HG2  VAL 125          2HG2      VAL 125   1.911  -6.145  12.182
  937    H2   HC4  69           H2       HC4  69  -6.844  -4.449   3.061
  938    H3   HC4  69           H3       HC4  69  -7.374  -7.215   1.900
  939    H2'  HC4  69           H2'      HC4  69  -5.536  -7.973   0.414
  940    H3'  HC4  69           H3'      HC4  69  -3.357  -7.592  -0.725
  941    H5'  HC4  69           H5'      HC4  69  -3.126  -3.655   1.014
  942    H6'  HC4  69           H6'      HC4  69  -5.295  -4.043   2.142
   
  No H/Q in entry =         942
  Start of MODEL   13
    1   1H    MET   1           H2       MET   1  11.177  12.319  13.670
    2   2H    MET   1           H1       MET   1   9.594  12.072  14.233
    3   3H    MET   1           H3       MET   1  10.759  10.855  14.423
    4    HA   MET   1           HA       MET   1   9.639  10.053  12.618
    5   1HB   MET   1          1HB       MET   1   8.751  12.763  12.484
    6   2HB   MET   1          2HB       MET   1   9.357  12.318  10.889
    7   1HG   MET   1          2HG       MET   1   7.392  10.655  12.489
    8   2HG   MET   1          1HG       MET   1   6.933  11.774  11.206
    9   1HE   MET   1          1HE       MET   1   6.757  11.510   9.203
   10   2HE   MET   1          3HE       MET   1   8.319  11.252   8.415
   11   3HE   MET   1          2HE       MET   1   7.012  10.092   8.190
   12    H    GLU   2           H        GLU   2  12.414  10.296  13.060
   13    HA   GLU   2           HA       GLU   2  13.502  11.049  10.389
   14   1HB   GLU   2          1HB       GLU   2  15.735  10.760  11.551
   15   2HB   GLU   2          2HB       GLU   2  14.731  12.056  12.201
   16   1HG   GLU   2          1HG       GLU   2  14.465  11.012  14.197
   17   2HG   GLU   2          2HG       GLU   2  14.249   9.432  13.444
   18    H    HIS   3           H        HIS   3  12.436   9.046   9.532
   19    HA   HIS   3           HA       HIS   3  14.353   6.897   9.336
   20   1HB   HIS   3          1HB       HIS   3  12.733   5.133  10.246
   21   2HB   HIS   3          2HB       HIS   3  13.554   6.131  11.448
   22    HD1  HIS   3           HD1      HIS   3  12.133   7.773  12.811
   23    HD2  HIS   3           HD2      HIS   3   9.939   5.730   9.915
   24    HE1  HIS   3           HE1      HIS   3   9.692   8.235  13.303
   25    H    VAL   4           H        VAL   4  13.048   4.913   8.201
   26    HA   VAL   4           HA       VAL   4  11.278   6.216   6.172
   27    HB   VAL   4           HB       VAL   4  13.454   5.548   5.230
   28   1HG1  VAL   4          1HG1      VAL   4  13.225   3.395   6.991
   29   2HG1  VAL   4          3HG1      VAL   4  13.021   2.670   5.396
   30   3HG1  VAL   4          2HG1      VAL   4  14.472   3.605   5.762
   31   1HG2  VAL   4          1HG2      VAL   4  10.889   4.757   4.311
   32   2HG2  VAL   4          3HG2      VAL   4  12.335   5.037   3.343
   33   3HG2  VAL   4          2HG2      VAL   4  11.986   3.422   3.958
   34    H    ALA   5           H        ALA   5   9.264   5.635   6.966
   35    HA   ALA   5           HA       ALA   5   7.489   4.230   7.614
   36   1HB   ALA   5          1HB       ALA   5   8.267   3.495   5.168
   37   2HB   ALA   5          3HB       ALA   5   8.714   2.016   6.017
   38   3HB   ALA   5          2HB       ALA   5   7.045   2.573   6.044
   39    H    PHE   6           H        PHE   6   7.613   1.319   7.770
   40    HA   PHE   6           HA       PHE   6   8.524   1.018  10.481
   41   1HB   PHE   6          1HB       PHE   6   8.454  -1.465   8.886
   42   2HB   PHE   6          2HB       PHE   6   7.638  -1.084  10.390
   43    HD1  PHE   6           HD2      PHE   6   5.501   0.173  10.373
   44    HD2  PHE   6           HD1      PHE   6   7.349  -1.184   6.727
   45    HE1  PHE   6           HE2      PHE   6   3.364   0.481   9.162
   46    HE2  PHE   6           HE1      PHE   6   5.190  -0.893   5.531
   47    HZ   PHE   6           HZ       PHE   6   3.222  -0.055   6.760
   48    H    GLY   7           H        GLY   7   9.835  -0.004   7.359
   49   1HA   GLY   7          1HA       GLY   7  12.574   0.403   8.129
   50   2HA   GLY   7          2HA       GLY   7  12.169  -1.317   8.179
   51    H    SER   8           H        SER   8  10.832   1.107   6.010
   52    HA   SER   8           HA       SER   8  11.134  -0.557   3.712
   53   1HB   SER   8          1HB       SER   8  10.807   1.905   2.628
   54   2HB   SER   8          2HB       SER   8   9.473   0.923   3.229
   55    HG   SER   8           HG       SER   8   9.787   3.199   4.019
   56    H    GLU   9           H        GLU   9  12.079   0.780   1.671
   57    HA   GLU   9           HA       GLU   9  14.910   1.522   2.298
   58   1HB   GLU   9          1HB       GLU   9  13.803  -0.561   0.539
   59   2HB   GLU   9          2HB       GLU   9  14.915   0.520  -0.299
   60   1HG   GLU   9          1HG       GLU   9  16.725  -0.089   1.016
   61   2HG   GLU   9          2HG       GLU   9  15.712  -0.534   2.389
   62    H    ASP  10           H        ASP  10  13.064   3.531   2.189
   63    HA   ASP  10           HA       ASP  10  12.514   5.506   1.020
   64   1HB   ASP  10          1HB       ASP  10  15.019   4.538  -0.248
   65   2HB   ASP  10          2HB       ASP  10  14.041   5.608  -1.252
   66    H    ILE  11           H        ILE  11  10.451   4.437   0.546
   67    HA   ILE  11           HA       ILE  11  10.193   2.889  -1.892
   68    HB   ILE  11           HB       ILE  11   7.846   3.998  -0.535
   69   1HG1  ILE  11          1HG1      ILE  11   9.236   3.369   1.384
   70   2HG1  ILE  11          2HG1      ILE  11   7.934   2.203   1.175
   71   1HG2  ILE  11          3HG2      ILE  11   8.282   2.133  -2.473
   72   2HG2  ILE  11          2HG2      ILE  11   8.083   1.133  -1.037
   73   3HG2  ILE  11          1HG2      ILE  11   6.812   2.252  -1.515
   74   1HD1  ILE  11          3HD1      ILE  11   9.747   1.047  -0.408
   75   2HD1  ILE  11          2HD1      ILE  11  10.840   1.875   0.695
   76   3HD1  ILE  11          1HD1      ILE  11   9.653   0.741   1.317
   77    H    GLU  12           H        GLU  12   8.433   5.824  -0.872
   78    HA   GLU  12           HA       GLU  12   7.376   6.514  -3.305
   79   1HB   GLU  12          1HB       GLU  12   7.594   8.939  -2.568
   80   2HB   GLU  12          2HB       GLU  12   6.851   7.859  -1.390
   81   1HG   GLU  12          1HG       GLU  12   8.399   8.587   0.081
   82   2HG   GLU  12          2HG       GLU  12   9.582   7.667  -0.850
   83    H    ASN  13           H        ASN  13  10.775   6.723  -2.477
   84    HA   ASN  13           HA       ASN  13  11.418   8.428  -4.780
   85   1HB   ASN  13          1HB       ASN  13  12.733   8.317  -2.581
   86   2HB   ASN  13          2HB       ASN  13  13.362   6.776  -3.164
   87   1HD2  ASN  13          2HD2      ASN  13  15.871   8.486  -4.939
   88   2HD2  ASN  13          1HD2      ASN  13  15.461   7.216  -3.890
   89    H    THR  14           H        THR  14  11.871   4.988  -3.893
   90    HA   THR  14           HA       THR  14  13.041   4.241  -6.423
   91    HB   THR  14           HB       THR  14  11.893   2.818  -4.033
   92    HG1  THR  14           HG1      THR  14  14.044   3.207  -4.023
   93   1HG2  THR  14          2HG2      THR  14  11.859   1.712  -6.786
   94   2HG2  THR  14          1HG2      THR  14  12.598   0.682  -5.561
   95   3HG2  THR  14          3HG2      THR  14  10.933   1.231  -5.363
   96    H    LEU  15           H        LEU  15   9.830   3.680  -5.070
   97    HA   LEU  15           HA       LEU  15   8.346   2.658  -7.120
   98   1HB   LEU  15          1HB       LEU  15   7.440   5.027  -5.447
   99   2HB   LEU  15          2HB       LEU  15   6.397   3.860  -6.253
  100    HG   LEU  15           HG       LEU  15   8.403   3.068  -4.139
  101   1HD1  LEU  15          2HD1      LEU  15   5.868   4.454  -3.867
  102   2HD1  LEU  15          1HD1      LEU  15   5.839   2.885  -3.065
  103   3HD1  LEU  15          3HD1      LEU  15   7.069   4.070  -2.636
  104   1HD2  LEU  15          3HD2      LEU  15   6.785   1.622  -5.950
  105   2HD2  LEU  15          2HD2      LEU  15   7.682   0.972  -4.577
  106   3HD2  LEU  15          1HD2      LEU  15   6.003   1.475  -4.376
  107    H    ALA  16           H        ALA  16   9.568   5.967  -6.909
  108    HA   ALA  16           HA       ALA  16   8.050   7.011  -9.128
  109   1HB   ALA  16          2HB       ALA  16  10.509   7.859  -7.633
  110   2HB   ALA  16          1HB       ALA  16  10.142   8.637  -9.173
  111   3HB   ALA  16          3HB       ALA  16   8.982   8.715  -7.848
  112    H    LYS  17           H        LYS  17  11.476   5.983  -8.925
  113    HA   LYS  17           HA       LYS  17  11.374   5.503 -11.873
  114   1HB   LYS  17          1HB       LYS  17  13.921   5.544 -11.644
  115   2HB   LYS  17          2HB       LYS  17  13.101   7.083 -11.374
  116   1HG   LYS  17          1HG       LYS  17  13.377   5.413  -8.958
  117   2HG   LYS  17          2HG       LYS  17  14.906   5.974  -9.636
  118   1HD   LYS  17          1HD       LYS  17  12.675   7.951  -9.399
  119   2HD   LYS  17          2HD       LYS  17  13.520   7.478  -7.924
  120   1HE   LYS  17          1HE       LYS  17  15.690   7.940  -9.264
  121   2HE   LYS  17          2HE       LYS  17  14.642   8.809 -10.385
  122   1HZ   LYS  17          1HZ       LYS  17  14.485   9.353  -7.495
  123   2HZ   LYS  17          3HZ       LYS  17  15.710  10.070  -8.425
  124   3HZ   LYS  17          2HZ       LYS  17  14.079  10.361  -8.800
  125    H    MET  18           H        MET  18  10.206   3.456 -10.981
  126    HA   MET  18           HA       MET  18  12.270   1.389 -10.332
  127   1HB   MET  18          1HB       MET  18  10.215   2.036  -8.721
  128   2HB   MET  18          2HB       MET  18   9.395   0.871  -9.761
  129   1HG   MET  18          2HG       MET  18  11.171  -0.789  -9.292
  130   2HG   MET  18          1HG       MET  18  11.969   0.377  -8.238
  131   1HE   MET  18          1HE       MET  18   8.686  -1.196  -9.151
  132   2HE   MET  18          3HE       MET  18   7.762  -1.352  -7.651
  133   3HE   MET  18          2HE       MET  18   7.966   0.227  -8.406
  134    H    ASP  19           H        ASP  19  11.995  -0.675 -11.369
  135    HA   ASP  19           HA       ASP  19  10.515  -0.476 -13.946
  136   1HB   ASP  19          1HB       ASP  19  13.077  -1.174 -13.588
  137   2HB   ASP  19          2HB       ASP  19  12.343  -2.760 -13.354
  138    H    ASP  20           H        ASP  20  11.234  -2.964 -11.468
  139    HA   ASP  20           HA       ASP  20   8.514  -3.664 -11.012
  140   1HB   ASP  20          1HB       ASP  20   8.568  -4.428 -13.355
  141   2HB   ASP  20          2HB       ASP  20   9.964  -5.446 -12.997
  142    H    GLY  21           H        GLY  21  11.621  -5.388 -11.495
  143   1HA   GLY  21          1HA       GLY  21  11.228  -6.692  -8.859
  144   2HA   GLY  21          2HA       GLY  21  12.449  -7.137 -10.054
  145    H    GLN  22           H        GLN  22  11.812  -3.822  -9.031
  146    HA   GLN  22           HA       GLN  22  14.629  -3.628  -8.145
  147   1HB   GLN  22          1HB       GLN  22  12.922  -1.904  -9.534
  148   2HB   GLN  22          2HB       GLN  22  13.069  -1.184  -7.931
  149   1HG   GLN  22          1HG       GLN  22  15.570  -1.440  -8.130
  150   2HG   GLN  22          2HG       GLN  22  15.329  -1.939  -9.805
  151   1HE2  GLN  22          2HE2      GLN  22  14.369   1.950  -8.831
  152   2HE2  GLN  22          1HE2      GLN  22  14.175   0.737  -7.659
  153    H    LEU  23           H        LEU  23  11.341  -2.990  -6.882
  154    HA   LEU  23           HA       LEU  23  12.525  -3.221  -4.146
  155   1HB   LEU  23          1HB       LEU  23  11.512  -0.869  -5.217
  156   2HB   LEU  23          2HB       LEU  23  10.165  -1.499  -4.271
  157    HG   LEU  23           HG       LEU  23  11.762  -1.812  -2.350
  158   1HD1  LEU  23          1HD1      LEU  23  13.770  -1.729  -4.000
  159   2HD1  LEU  23          3HD1      LEU  23  13.619   0.023  -3.852
  160   3HD1  LEU  23          2HD1      LEU  23  13.952  -0.958  -2.425
  161   1HD2  LEU  23          1HD2      LEU  23  10.328   0.359  -3.032
  162   2HD2  LEU  23          3HD2      LEU  23  11.352   0.327  -1.597
  163   3HD2  LEU  23          2HD2      LEU  23  11.940   1.073  -3.082
  164    H    ASP  24           H        ASP  24  10.671  -4.844  -6.195
  165    HA   ASP  24           HA       ASP  24   8.221  -5.251  -4.682
  166   1HB   ASP  24          1HB       ASP  24   9.601  -6.689  -6.944
  167   2HB   ASP  24          2HB       ASP  24   8.223  -7.431  -6.131
  168    H    GLY  25           H        GLY  25  11.429  -6.122  -4.030
  169   1HA   GLY  25          1HA       GLY  25  10.646  -8.618  -2.623
  170   2HA   GLY  25          2HA       GLY  25  12.300  -8.105  -2.949
  171    H    LEU  26           H        LEU  26   9.960  -5.813  -1.652
  172    HA   LEU  26           HA       LEU  26  11.660  -5.340   0.649
  173   1HB   LEU  26          1HB       LEU  26   8.834  -4.360   0.105
  174   2HB   LEU  26          2HB       LEU  26   9.935  -3.727   1.320
  175    HG   LEU  26           HG       LEU  26  10.954  -3.756  -1.470
  176   1HD1  LEU  26          3HD1      LEU  26   8.505  -3.019  -1.587
  177   2HD1  LEU  26          2HD1      LEU  26   8.957  -1.661  -0.559
  178   3HD1  LEU  26          1HD1      LEU  26   9.678  -1.832  -2.159
  179   1HD2  LEU  26          2HD2      LEU  26  11.412  -2.415   1.065
  180   2HD2  LEU  26          1HD2      LEU  26  12.444  -2.464  -0.364
  181   3HD2  LEU  26          3HD2      LEU  26  11.186  -1.235  -0.225
  182    H    ALA  27           H        ALA  27  10.142  -5.100   2.764
  183    HA   ALA  27           HA       ALA  27   9.105  -7.845   3.286
  184   1HB   ALA  27          1HB       ALA  27  10.834  -6.404   4.780
  185   2HB   ALA  27          3HB       ALA  27   9.317  -5.850   5.489
  186   3HB   ALA  27          2HB       ALA  27   9.716  -7.567   5.489
  187    H    PHE  28           H        PHE  28   7.825  -5.342   1.943
  188    HA   PHE  28           HA       PHE  28   5.184  -5.699   3.178
  189   1HB   PHE  28          1HB       PHE  28   4.927  -3.103   3.086
  190   2HB   PHE  28          2HB       PHE  28   5.788  -3.792   4.458
  191    HD1  PHE  28           HD2      PHE  28   8.316  -3.961   4.327
  192    HD2  PHE  28           HD1      PHE  28   5.996  -1.546   1.663
  193    HE1  PHE  28           HE2      PHE  28  10.357  -2.690   3.722
  194    HE2  PHE  28           HE1      PHE  28   8.035  -0.269   1.043
  195    HZ   PHE  28           HZ       PHE  28  10.220  -0.858   2.070
  196    H    GLY  29           H        GLY  29   3.736  -3.943   1.780
  197   1HA   GLY  29          1HA       GLY  29   4.454  -4.543  -1.059
  198   2HA   GLY  29          2HA       GLY  29   2.804  -4.414  -0.452
  199    H    ALA  30           H        ALA  30   4.577  -2.731  -2.497
  200    HA   ALA  30           HA       ALA  30   3.964  -0.115  -1.156
  201   1HB   ALA  30          2HB       ALA  30   6.365  -0.544  -1.904
  202   2HB   ALA  30          1HB       ALA  30   5.765  -0.520  -3.562
  203   3HB   ALA  30          3HB       ALA  30   5.625   0.919  -2.552
  204    H    ILE  31           H        ILE  31   1.748  -0.153  -1.727
  205    HA   ILE  31           HA       ILE  31   1.162  -0.314  -4.632
  206    HB   ILE  31           HB       ILE  31  -1.031  -0.912  -4.086
  207   1HG1  ILE  31          1HG1      ILE  31  -1.842  -0.595  -1.625
  208   2HG1  ILE  31          2HG1      ILE  31  -0.578   0.635  -1.544
  209   1HG2  ILE  31          3HG2      ILE  31   0.699  -2.515  -3.180
  210   2HG2  ILE  31          2HG2      ILE  31   0.446  -1.792  -1.598
  211   3HG2  ILE  31          1HG2      ILE  31  -0.878  -2.618  -2.410
  212   1HD1  ILE  31          2HD1      ILE  31  -1.927   1.086  -3.983
  213   2HD1  ILE  31          1HD1      ILE  31  -3.189   0.795  -2.786
  214   3HD1  ILE  31          3HD1      ILE  31  -2.008   2.078  -2.526
  215    H    GLN  32           H        GLN  32   0.041   1.341  -5.717
  216    HA   GLN  32           HA       GLN  32   0.039   3.967  -4.293
  217   1HB   GLN  32          1HB       GLN  32   1.196   3.133  -6.866
  218   2HB   GLN  32          2HB       GLN  32   0.195   4.579  -6.978
  219   1HG   GLN  32          1HG       GLN  32   1.502   5.741  -5.364
  220   2HG   GLN  32          2HG       GLN  32   2.307   4.258  -4.843
  221   1HE2  GLN  32          2HE2      GLN  32   4.732   4.352  -7.423
  222   2HE2  GLN  32          1HE2      GLN  32   4.084   3.469  -6.125
  223    H    LEU  33           H        LEU  33  -1.607   5.509  -5.260
  224    HA   LEU  33           HA       LEU  33  -3.838   4.216  -6.701
  225   1HB   LEU  33          1HB       LEU  33  -4.106   5.363  -3.902
  226   2HB   LEU  33          2HB       LEU  33  -5.472   4.998  -4.950
  227    HG   LEU  33           HG       LEU  33  -3.390   2.961  -4.113
  228   1HD1  LEU  33          3HD1      LEU  33  -4.869   3.907  -2.255
  229   2HD1  LEU  33          2HD1      LEU  33  -6.233   3.192  -3.113
  230   3HD1  LEU  33          1HD1      LEU  33  -4.945   2.161  -2.489
  231   1HD2  LEU  33          3HD2      LEU  33  -5.265   2.968  -6.203
  232   2HD2  LEU  33          2HD2      LEU  33  -4.421   1.561  -5.557
  233   3HD2  LEU  33          1HD2      LEU  33  -6.009   1.999  -4.932
  234    H    ASP  34           H        ASP  34  -5.146   5.807  -7.761
  235    HA   ASP  34           HA       ASP  34  -4.286   8.634  -7.300
  236   1HB   ASP  34          1HB       ASP  34  -4.496   7.084  -9.820
  237   2HB   ASP  34          2HB       ASP  34  -5.064   8.752  -9.865
  238    H    GLY  35           H        GLY  35  -5.847   9.981  -6.914
  239   1HA   GLY  35          1HA       GLY  35  -7.937  10.760  -6.227
  240   2HA   GLY  35          2HA       GLY  35  -8.245  10.571  -7.947
  241    H    ASP  36           H        ASP  36  -9.087   8.446  -8.602
  242    HA   ASP  36           HA       ASP  36 -11.362   7.725  -6.976
  243   1HB   ASP  36          1HB       ASP  36 -10.211   6.668  -9.552
  244   2HB   ASP  36          2HB       ASP  36 -11.584   5.879  -8.775
  245    H    GLY  37           H        GLY  37  -8.196   6.822  -6.594
  246   1HA   GLY  37          1HA       GLY  37  -7.367   5.242  -5.042
  247   2HA   GLY  37          2HA       GLY  37  -8.978   4.531  -4.949
  248    H    ASN  38           H        ASN  38  -7.781   5.081  -8.147
  249    HA   ASN  38           HA       ASN  38  -7.813   2.216  -8.672
  250   1HB   ASN  38          1HB       ASN  38  -7.023   2.883 -10.953
  251   2HB   ASN  38          2HB       ASN  38  -8.481   3.736 -10.448
  252   1HD2  ASN  38          2HD2      ASN  38  -5.079   5.822 -11.166
  253   2HD2  ASN  38          1HD2      ASN  38  -5.133   4.135 -11.343
  254    H    ILE  39           H        ILE  39  -6.113   0.830  -8.603
  255    HA   ILE  39           HA       ILE  39  -3.674   1.580  -7.354
  256    HB   ILE  39           HB       ILE  39  -4.912  -0.835  -8.218
  257   1HG1  ILE  39          1HG1      ILE  39  -2.744  -1.684  -6.866
  258   2HG1  ILE  39          2HG1      ILE  39  -2.676   0.029  -6.452
  259   1HG2  ILE  39          1HG2      ILE  39  -2.059  -0.624  -9.222
  260   2HG2  ILE  39          3HG2      ILE  39  -2.972  -2.125  -9.071
  261   3HG2  ILE  39          2HG2      ILE  39  -3.495  -0.884 -10.210
  262   1HD1  ILE  39          2HD1      ILE  39  -5.335  -0.459  -6.109
  263   2HD1  ILE  39          1HD1      ILE  39  -4.657  -2.027  -5.666
  264   3HD1  ILE  39          3HD1      ILE  39  -4.145  -0.572  -4.810
  265    H    LEU  40           H        LEU  40  -1.759   2.277  -8.107
  266    HA   LEU  40           HA       LEU  40  -1.525   2.776 -11.044
  267   1HB   LEU  40          1HB       LEU  40   0.397   3.992  -9.105
  268   2HB   LEU  40          2HB       LEU  40  -0.282   4.673 -10.580
  269    HG   LEU  40           HG       LEU  40  -1.827   4.288  -7.992
  270   1HD1  LEU  40          3HD1      LEU  40   0.124   6.063  -8.212
  271   2HD1  LEU  40          2HD1      LEU  40  -1.074   6.944  -9.155
  272   3HD1  LEU  40          1HD1      LEU  40  -1.414   6.516  -7.478
  273   1HD2  LEU  40          3HD2      LEU  40  -3.015   4.296 -10.299
  274   2HD2  LEU  40          2HD2      LEU  40  -3.607   5.406  -9.063
  275   3HD2  LEU  40          1HD2      LEU  40  -2.572   6.002 -10.359
  276    H    GLN  41           H        GLN  41  -0.159   1.190  -8.276
  277    HA   GLN  41           HA       GLN  41   1.471  -0.566  -9.895
  278   1HB   GLN  41          1HB       GLN  41   3.162   1.009 -10.067
  279   2HB   GLN  41          2HB       GLN  41   2.679   1.847  -8.602
  280   1HG   GLN  41          1HG       GLN  41   3.864  -0.901  -8.389
  281   2HG   GLN  41          2HG       GLN  41   4.921   0.473  -8.671
  282   1HE2  GLN  41          2HE2      GLN  41   2.784   1.322  -5.345
  283   2HE2  GLN  41          1HE2      GLN  41   2.060   1.307  -6.865
  284    H    TYR  42           H        TYR  42   2.560  -2.215  -8.342
  285    HA   TYR  42           HA       TYR  42   1.265  -2.154  -5.660
  286   1HB   TYR  42          1HB       TYR  42  -0.073  -3.473  -7.321
  287   2HB   TYR  42          2HB       TYR  42   1.289  -4.563  -7.504
  288    HD1  TYR  42           HD1      TYR  42  -0.665  -3.005  -4.678
  289    HD2  TYR  42           HD2      TYR  42   1.166  -6.528  -6.294
  290    HE1  TYR  42           HE1      TYR  42  -1.460  -4.319  -2.723
  291    HE2  TYR  42           HE2      TYR  42   0.363  -7.827  -4.365
  292    HH   TYR  42           HH       TYR  42  -1.998  -6.975  -2.367
  293    H    ASN  43           H        ASN  43   2.767  -5.154  -6.487
  294    HA   ASN  43           HA       ASN  43   5.473  -4.983  -6.181
  295   1HB   ASN  43          1HB       ASN  43   5.384  -3.520  -4.298
  296   2HB   ASN  43          2HB       ASN  43   4.150  -4.481  -3.509
  297   1HD2  ASN  43          2HD2      ASN  43   7.268  -5.163  -1.740
  298   2HD2  ASN  43          1HD2      ASN  43   6.187  -3.877  -1.931
  299    H    ALA  44           H        ALA  44   6.342  -7.010  -5.775
  300    HA   ALA  44           HA       ALA  44   4.550  -9.247  -6.050
  301   1HB   ALA  44          3HB       ALA  44   6.888  -9.105  -6.974
  302   2HB   ALA  44          2HB       ALA  44   7.487  -9.337  -5.332
  303   3HB   ALA  44          1HB       ALA  44   6.538 -10.604  -6.111
  304    H    ALA  45           H        ALA  45   6.779  -8.382  -3.359
  305    HA   ALA  45           HA       ALA  45   6.302 -10.424  -1.571
  306   1HB   ALA  45          3HB       ALA  45   6.558  -7.458  -1.051
  307   2HB   ALA  45          2HB       ALA  45   6.458  -8.630   0.263
  308   3HB   ALA  45          1HB       ALA  45   7.795  -8.706  -0.885
  309    H    GLU  46           H        GLU  46   4.274  -7.505  -1.727
  310    HA   GLU  46           HA       GLU  46   2.325  -8.460   0.137
  311   1HB   GLU  46          1HB       GLU  46   0.797  -6.774  -1.195
  312   2HB   GLU  46          2HB       GLU  46   2.112  -6.192  -0.203
  313   1HG   GLU  46          1HG       GLU  46   3.530  -5.874  -2.117
  314   2HG   GLU  46          2HG       GLU  46   2.367  -6.683  -3.164
  315    HE2  GLU  46           HE1      GLU  46   2.575  -3.299  -3.471
  316    H    GLY  47           H        GLY  47   2.447  -8.551  -3.367
  317   1HA   GLY  47          1HA       GLY  47  -0.094  -9.774  -3.793
  318   2HA   GLY  47          2HA       GLY  47   1.282  -9.917  -4.899
  319    H    ASP  48           H        ASP  48   2.797 -11.061  -2.398
  320    HA   ASP  48           HA       ASP  48   2.098 -13.855  -3.010
  321   1HB   ASP  48          1HB       ASP  48   4.479 -13.125  -2.780
  322   2HB   ASP  48          2HB       ASP  48   4.167 -12.744  -1.086
  323    H    ILE  49           H        ILE  49   1.703 -11.524  -0.432
  324    HA   ILE  49           HA       ILE  49   0.861 -13.446   1.550
  325    HB   ILE  49           HB       ILE  49   1.394 -10.624   1.339
  326   1HG1  ILE  49          1HG1      ILE  49   1.633 -11.210   3.949
  327   2HG1  ILE  49          2HG1      ILE  49   1.657 -12.840   3.275
  328   1HG2  ILE  49          2HG2      ILE  49  -1.093 -11.443   2.779
  329   2HG2  ILE  49          1HG2      ILE  49  -0.070 -10.188   3.475
  330   3HG2  ILE  49          3HG2      ILE  49  -0.757  -9.972   1.867
  331   1HD1  ILE  49          3HD1      ILE  49   3.305 -11.342   1.572
  332   2HD1  ILE  49          2HD1      ILE  49   3.720 -10.794   3.196
  333   3HD1  ILE  49          1HD1      ILE  49   3.833 -12.506   2.788
  334    H    THR  50           H        THR  50  -0.876 -11.032  -0.457
  335    HA   THR  50           HA       THR  50  -3.414 -12.431   0.254
  336    HB   THR  50           HB       THR  50  -4.577 -10.462  -0.124
  337    HG1  THR  50           HG1      THR  50  -2.454  -9.525  -1.744
  338   1HG2  THR  50          1HG2      THR  50  -2.658 -10.161   1.584
  339   2HG2  THR  50          3HG2      THR  50  -1.902  -9.167   0.340
  340   3HG2  THR  50          2HG2      THR  50  -3.476  -8.716   0.994
  341    H    GLY  51           H        GLY  51  -1.169 -12.344  -2.278
  342   1HA   GLY  51          1HA       GLY  51  -1.342 -13.515  -4.342
  343   2HA   GLY  51          2HA       GLY  51  -3.053 -13.749  -4.014
  344    H    ARG  52           H        ARG  52  -2.593 -10.555  -3.446
  345    HA   ARG  52           HA       ARG  52  -4.143  -9.482  -5.405
  346   1HB   ARG  52          1HB       ARG  52  -2.049  -8.443  -3.660
  347   2HB   ARG  52          2HB       ARG  52  -2.201  -7.517  -5.153
  348   1HG   ARG  52          1HG       ARG  52  -4.841  -8.031  -4.361
  349   2HG   ARG  52          2HG       ARG  52  -3.998  -7.616  -2.879
  350   1HD   ARG  52          1HD       ARG  52  -3.071  -5.828  -4.860
  351   2HD   ARG  52          2HD       ARG  52  -4.814  -5.891  -5.017
  352    HE   ARG  52           HE       ARG  52  -4.582  -5.463  -2.347
  353   1HH1  ARG  52          1HH2      ARG  52  -3.445  -3.910  -5.222
  354   2HH1  ARG  52          2HH2      ARG  52  -3.023  -2.444  -4.407
  355   1HH2  ARG  52          2HH1      ARG  52  -3.816  -3.634  -1.264
  356   2HH2  ARG  52          1HH1      ARG  52  -3.236  -2.286  -2.178
  357    H    ASP  53           H        ASP  53  -0.556  -9.501  -5.803
  358    HA   ASP  53           HA       ASP  53   0.682  -9.586  -7.812
  359   1HB   ASP  53          1HB       ASP  53  -1.501 -11.258  -8.283
  360   2HB   ASP  53          2HB       ASP  53  -1.560 -10.116  -9.626
  361    HA   PRO  54           HA       PRO  54  -0.226  -5.509  -9.233
  362   1HB   PRO  54          1HB       PRO  54   1.618  -5.334 -11.262
  363   2HB   PRO  54          2HB       PRO  54   2.031  -5.222  -9.543
  364   1HG   PRO  54          1HG       PRO  54   2.468  -7.486 -11.436
  365   2HG   PRO  54          2HG       PRO  54   3.373  -7.054  -9.975
  366   1HD   PRO  54          1HD       PRO  54   1.445  -9.114 -10.175
  367   2HD   PRO  54          2HD       PRO  54   2.102  -8.443  -8.667
  368    H    LYS  55           H        LYS  55   0.619  -7.335 -12.198
  369    HA   LYS  55           HA       LYS  55  -1.051  -5.992 -13.971
  370   1HB   LYS  55          1HB       LYS  55   0.567  -8.217 -14.120
  371   2HB   LYS  55          2HB       LYS  55  -1.031  -8.890 -14.447
  372   1HG   LYS  55          1HG       LYS  55  -0.186  -6.353 -15.819
  373   2HG   LYS  55          2HG       LYS  55   0.385  -7.906 -16.431
  374   1HD   LYS  55          1HD       LYS  55  -2.110  -8.624 -16.303
  375   2HD   LYS  55          2HD       LYS  55  -2.445  -6.895 -16.220
  376   1HE   LYS  55          1HE       LYS  55  -1.683  -6.500 -18.370
  377   2HE   LYS  55          2HE       LYS  55  -0.581  -7.876 -18.346
  378   1HZ   LYS  55          1HZ       LYS  55  -2.656  -9.292 -18.281
  379   2HZ   LYS  55          3HZ       LYS  55  -3.519  -7.892 -18.694
  380   3HZ   LYS  55          2HZ       LYS  55  -2.332  -8.498 -19.748
  381    H    GLN  56           H        GLN  56  -2.039  -8.274 -11.506
  382    HA   GLN  56           HA       GLN  56  -4.686  -8.622 -12.744
  383   1HB   GLN  56          1HB       GLN  56  -3.205 -10.212 -11.077
  384   2HB   GLN  56          2HB       GLN  56  -4.333  -9.472  -9.940
  385   1HG   GLN  56          1HG       GLN  56  -5.671 -10.276 -12.397
  386   2HG   GLN  56          2HG       GLN  56  -4.867 -11.641 -11.619
  387   1HE2  GLN  56          2HE2      GLN  56  -7.449 -11.923  -9.258
  388   2HE2  GLN  56          1HE2      GLN  56  -6.288 -12.687 -10.234
  389    H    VAL  57           H        VAL  57  -3.344  -7.054  -9.826
  390    HA   VAL  57           HA       VAL  57  -5.938  -5.932  -9.098
  391    HB   VAL  57           HB       VAL  57  -4.689  -4.710  -7.384
  392   1HG1  VAL  57          1HG1      VAL  57  -4.182  -7.612  -7.884
  393   2HG1  VAL  57          3HG1      VAL  57  -3.362  -6.841  -6.531
  394   3HG1  VAL  57          2HG1      VAL  57  -5.125  -6.849  -6.608
  395   1HG2  VAL  57          3HG2      VAL  57  -2.385  -5.517  -9.128
  396   2HG2  VAL  57          2HG2      VAL  57  -2.684  -3.982  -8.315
  397   3HG2  VAL  57          1HG2      VAL  57  -2.117  -5.372  -7.390
  398    H    ILE  58           H        ILE  58  -3.893  -5.206 -11.603
  399    HA   ILE  58           HA       ILE  58  -3.927  -2.326 -11.426
  400    HB   ILE  58           HB       ILE  58  -3.043  -4.386 -13.351
  401   1HG1  ILE  58          1HG1      ILE  58  -2.086  -1.556 -12.878
  402   2HG1  ILE  58          2HG1      ILE  58  -1.698  -2.890 -11.791
  403   1HG2  ILE  58          2HG2      ILE  58  -4.072  -1.707 -14.357
  404   2HG2  ILE  58          1HG2      ILE  58  -2.942  -2.719 -15.256
  405   3HG2  ILE  58          3HG2      ILE  58  -4.566  -3.309 -14.904
  406   1HD1  ILE  58          3HD1      ILE  58  -1.084  -2.842 -14.762
  407   2HD1  ILE  58          2HD1      ILE  58   0.090  -2.519 -13.486
  408   3HD1  ILE  58          1HD1      ILE  58  -0.639  -4.119 -13.630
  409    H    GLY  59           H        GLY  59  -5.622  -1.050 -11.766
  410   1HA   GLY  59          1HA       GLY  59  -7.584  -0.311 -12.992
  411   2HA   GLY  59          2HA       GLY  59  -7.827  -1.971 -13.539
  412    H    LYS  60           H        LYS  60  -7.206  -2.818 -10.631
  413    HA   LYS  60           HA       LYS  60  -9.992  -2.817  -9.752
  414   1HB   LYS  60          1HB       LYS  60  -7.567  -3.758  -8.195
  415   2HB   LYS  60          2HB       LYS  60  -9.240  -4.280  -7.997
  416   1HG   LYS  60          1HG       LYS  60  -7.530  -4.741 -10.458
  417   2HG   LYS  60          2HG       LYS  60  -7.941  -5.960  -9.251
  418   1HD   LYS  60          1HD       LYS  60 -10.410  -5.290  -9.774
  419   2HD   LYS  60          2HD       LYS  60  -9.734  -4.609 -11.254
  420   1HE   LYS  60          1HE       LYS  60  -9.576  -6.655 -12.174
  421   2HE   LYS  60          2HE       LYS  60  -8.625  -7.231 -10.806
  422   1HZ   LYS  60          2HZ       LYS  60 -11.457  -6.892 -10.298
  423   2HZ   LYS  60          1HZ       LYS  60 -11.066  -8.124 -11.402
  424   3HZ   LYS  60          3HZ       LYS  60 -10.411  -8.150  -9.837
  425    H    ASN  61           H        ASN  61 -10.807  -1.747  -7.908
  426    HA   ASN  61           HA       ASN  61  -9.288   0.665  -7.158
  427   1HB   ASN  61          1HB       ASN  61 -12.097  -0.266  -6.491
  428   2HB   ASN  61          2HB       ASN  61 -11.404   1.256  -5.928
  429   1HD2  ASN  61          2HD2      ASN  61 -11.103   2.328  -9.530
  430   2HD2  ASN  61          1HD2      ASN  61  -9.970   2.006  -8.311
  431    H    PHE  62           H        PHE  62  -7.958   0.611  -5.460
  432    HA   PHE  62           HA       PHE  62  -7.580  -1.504  -3.649
  433   1HB   PHE  62          1HB       PHE  62  -5.969   0.313  -3.934
  434   2HB   PHE  62          2HB       PHE  62  -7.108   1.459  -3.225
  435    HD1  PHE  62           HD1      PHE  62  -4.946  -1.441  -2.570
  436    HD2  PHE  62           HD2      PHE  62  -7.547   1.496  -0.848
  437    HE1  PHE  62           HE1      PHE  62  -4.119  -2.031  -0.289
  438    HE2  PHE  62           HE2      PHE  62  -6.750   0.889   1.420
  439    HZ   PHE  62           HZ       PHE  62  -5.045  -0.889   1.693
  440    H    PHE  63           H        PHE  63 -10.052   0.966  -3.641
  441    HA   PHE  63           HA       PHE  63 -10.819   0.145  -0.868
  442   1HB   PHE  63          1HB       PHE  63 -11.490   2.660  -2.415
  443   2HB   PHE  63          2HB       PHE  63 -12.082   2.285  -0.797
  444    HD1  PHE  63           HD2      PHE  63 -10.248   1.665   0.979
  445    HD2  PHE  63           HD1      PHE  63  -9.475   3.825  -2.651
  446    HE1  PHE  63           HE2      PHE  63  -8.160   2.568   1.960
  447    HE2  PHE  63           HE1      PHE  63  -7.386   4.731  -1.669
  448    HZ   PHE  63           HZ       PHE  63  -6.729   4.102   0.639
  449    H    LYS  64           H        LYS  64 -11.800  -0.161  -4.127
  450    HA   LYS  64           HA       LYS  64 -14.483  -1.048  -3.164
  451   1HB   LYS  64          1HB       LYS  64 -13.826   0.935  -5.295
  452   2HB   LYS  64          2HB       LYS  64 -15.175  -0.163  -5.589
  453   1HG   LYS  64          1HG       LYS  64 -16.492   0.975  -4.164
  454   2HG   LYS  64          2HG       LYS  64 -15.283   0.861  -2.884
  455   1HD   LYS  64          1HD       LYS  64 -14.047   2.760  -4.040
  456   2HD   LYS  64          2HD       LYS  64 -15.475   2.961  -5.055
  457   1HE   LYS  64          1HE       LYS  64 -16.040   2.792  -2.162
  458   2HE   LYS  64          2HE       LYS  64 -15.117   4.214  -2.650
  459   1HZ   LYS  64          2HZ       LYS  64 -16.846   4.466  -4.463
  460   2HZ   LYS  64          1HZ       LYS  64 -17.783   3.347  -3.593
  461   3HZ   LYS  64          3HZ       LYS  64 -17.347   4.823  -2.880
  462    H    ASP  65           H        ASP  65 -12.208  -2.718  -3.704
  463    HA   ASP  65           HA       ASP  65 -13.357  -4.731  -5.292
  464   1HB   ASP  65          1HB       ASP  65 -12.388  -2.606  -6.906
  465   2HB   ASP  65          2HB       ASP  65 -11.298  -3.973  -7.143
  466    H    VAL  66           H        VAL  66 -10.531  -3.407  -3.733
  467    HA   VAL  66           HA       VAL  66  -9.138  -6.014  -4.168
  468    HB   VAL  66           HB       VAL  66  -7.922  -3.430  -3.185
  469   1HG1  VAL  66          2HG1      VAL  66  -6.936  -6.091  -4.147
  470   2HG1  VAL  66          1HG1      VAL  66  -5.940  -4.647  -4.320
  471   3HG1  VAL  66          3HG1      VAL  66  -6.452  -5.170  -2.719
  472   1HG2  VAL  66          2HG2      VAL  66  -8.919  -3.214  -5.500
  473   2HG2  VAL  66          1HG2      VAL  66  -7.177  -2.947  -5.391
  474   3HG2  VAL  66          3HG2      VAL  66  -7.797  -4.479  -6.006
  475    H    ALA  67           H        ALA  67  -9.533  -3.394  -1.832
  476    HA   ALA  67           HA       ALA  67  -9.322  -5.407   0.357
  477   1HB   ALA  67          2HB       ALA  67  -8.528  -2.488   0.259
  478   2HB   ALA  67          1HB       ALA  67  -8.398  -3.523   1.682
  479   3HB   ALA  67          3HB       ALA  67  -7.429  -3.867   0.249
  480    HA   PRO  68           HA       PRO  68 -13.531  -3.686   0.798
  481   1HB   PRO  68          1HB       PRO  68 -14.573  -5.953   1.956
  482   2HB   PRO  68          2HB       PRO  68 -14.468  -5.706   0.204
  483   1HG   PRO  68          1HG       PRO  68 -12.784  -7.434   1.964
  484   2HG   PRO  68          2HG       PRO  68 -13.184  -7.631   0.249
  485   1HD   PRO  68          1HD       PRO  68 -10.741  -6.647   1.252
  486   2HD   PRO  68          2HD       PRO  68 -11.316  -6.476  -0.421
  487    H    CYS  69           H        CYS  69 -11.068  -4.534   2.927
  488    HA   CYS  69           HA       CYS  69 -12.672  -4.068   5.372
  489   1HB   CYS  69          1HB       CYS  69 -10.695  -4.753   6.585
  490   2HB   CYS  69          2HB       CYS  69 -10.932  -5.898   5.264
  491    H    THR  70           H        THR  70 -10.664  -2.357   3.159
  492    HA   THR  70           HA       THR  70  -9.872  -0.307   5.105
  493    HB   THR  70           HB       THR  70  -8.829   0.790   3.124
  494    HG1  THR  70           HG1      THR  70 -10.526  -0.194   1.708
  495   1HG2  THR  70          1HG2      THR  70  -7.859  -1.236   4.477
  496   2HG2  THR  70          3HG2      THR  70  -8.134  -2.127   2.983
  497   3HG2  THR  70          2HG2      THR  70  -7.062  -0.728   2.988
  498    H    ASP  71           H        ASP  71 -12.784  -0.954   3.953
  499    HA   ASP  71           HA       ASP  71 -13.477   1.744   2.977
  500   1HB   ASP  71          1HB       ASP  71 -15.761   0.802   2.743
  501   2HB   ASP  71          2HB       ASP  71 -14.564  -0.197   1.921
  502    H    SER  72           H        SER  72 -12.483   2.086   5.409
  503    HA   SER  72           HA       SER  72 -14.873   2.698   7.064
  504   1HB   SER  72          1HB       SER  72 -14.095   1.591   8.947
  505   2HB   SER  72          2HB       SER  72 -13.444   0.534   7.705
  506    HG   SER  72           HG       SER  72 -11.532   1.947   7.819
  507    HA   PRO  73           HA       PRO  73 -12.819   6.520   7.760
  508   1HB   PRO  73          1HB       PRO  73 -13.225   7.036  10.429
  509   2HB   PRO  73          2HB       PRO  73 -14.493   7.152   9.197
  510   1HG   PRO  73          1HG       PRO  73 -14.074   5.049  11.266
  511   2HG   PRO  73          2HG       PRO  73 -15.571   5.556  10.468
  512   1HD   PRO  73          1HD       PRO  73 -14.058   3.247   9.853
  513   2HD   PRO  73          2HD       PRO  73 -15.364   3.931   8.864
  514    H    GLU  74           H        GLU  74 -11.397   3.797   8.999
  515    HA   GLU  74           HA       GLU  74  -9.213   5.304  10.311
  516   1HB   GLU  74          1HB       GLU  74  -9.640   2.317  10.327
  517   2HB   GLU  74          2HB       GLU  74  -8.551   3.249  11.356
  518   1HG   GLU  74          1HG       GLU  74 -10.576   4.452  12.266
  519   2HG   GLU  74          2HG       GLU  74 -11.580   3.305  11.378
  520    H    PHE  75           H        PHE  75 -10.028   3.240   7.625
  521    HA   PHE  75           HA       PHE  75  -7.169   3.210   6.766
  522   1HB   PHE  75          1HB       PHE  75  -8.853   1.116   6.800
  523   2HB   PHE  75          2HB       PHE  75  -9.282   1.767   5.218
  524    HD1  PHE  75           HD1      PHE  75  -7.274   2.430   3.672
  525    HD2  PHE  75           HD2      PHE  75  -6.971  -0.285   6.986
  526    HE1  PHE  75           HE1      PHE  75  -5.203   1.483   2.703
  527    HE2  PHE  75           HE2      PHE  75  -4.883  -1.228   6.016
  528    HZ   PHE  75           HZ       PHE  75  -4.007  -0.346   3.874
  529    H    TYR  76           H        TYR  76 -10.308   3.386   5.023
  530    HA   TYR  76           HA       TYR  76  -9.174   5.197   3.061
  531   1HB   TYR  76          1HB       TYR  76 -11.174   3.603   2.718
  532   2HB   TYR  76          2HB       TYR  76 -12.130   4.814   3.571
  533    HD1  TYR  76           HD2      TYR  76  -9.292   5.215   1.150
  534    HD2  TYR  76           HD1      TYR  76 -13.460   5.874   1.953
  535    HE1  TYR  76           HE2      TYR  76  -9.481   6.539  -0.940
  536    HE2  TYR  76           HE1      TYR  76 -13.652   7.195  -0.137
  537    HH   TYR  76           HH       TYR  76 -12.127   7.141  -2.493
  538    H    GLY  77           H        GLY  77 -10.496   5.539   6.215
  539   1HA   GLY  77          1HA       GLY  77 -11.562   8.185   6.059
  540   2HA   GLY  77          2HA       GLY  77 -10.953   7.423   7.515
  541    H    LYS  78           H        LYS  78  -8.397   7.145   7.346
  542    HA   LYS  78           HA       LYS  78  -7.329   9.785   7.451
  543   1HB   LYS  78          1HB       LYS  78  -5.623   7.343   7.015
  544   2HB   LYS  78          2HB       LYS  78  -5.253   8.788   7.953
  545   1HG   LYS  78          1HG       LYS  78  -7.029   6.476   8.665
  546   2HG   LYS  78          2HG       LYS  78  -5.793   7.258   9.639
  547   1HD   LYS  78          1HD       LYS  78  -7.492   9.339   9.345
  548   2HD   LYS  78          2HD       LYS  78  -8.649   8.013   9.216
  549   1HE   LYS  78          1HE       LYS  78  -8.639   7.922  11.473
  550   2HE   LYS  78          2HE       LYS  78  -7.002   7.278  11.357
  551   1HZ   LYS  78          2HZ       LYS  78  -7.169  10.145  11.089
  552   2HZ   LYS  78          1HZ       LYS  78  -7.668   9.566  12.606
  553   3HZ   LYS  78          3HZ       LYS  78  -6.116   9.199  12.029
  554    H    PHE  79           H        PHE  79  -7.874   7.697   4.814
  555    HA   PHE  79           HA       PHE  79  -5.897   8.864   3.050
  556   1HB   PHE  79          1HB       PHE  79  -6.629   6.576   2.739
  557   2HB   PHE  79          2HB       PHE  79  -8.300   7.105   2.607
  558    HD1  PHE  79           HD1      PHE  79  -8.877   8.737   0.662
  559    HD2  PHE  79           HD2      PHE  79  -5.279   6.380   0.788
  560    HE1  PHE  79           HE1      PHE  79  -8.628   8.963  -1.802
  561    HE2  PHE  79           HE2      PHE  79  -5.073   6.584  -1.651
  562    HZ   PHE  79           HZ       PHE  79  -6.715   7.885  -2.944
  563    H    LYS  80           H        LYS  80  -9.371   9.240   3.621
  564    HA   LYS  80           HA       LYS  80  -9.704  11.071   1.443
  565   1HB   LYS  80          1HB       LYS  80 -11.389   9.819   3.467
  566   2HB   LYS  80          2HB       LYS  80 -11.827  11.502   3.170
  567   1HG   LYS  80          1HG       LYS  80 -11.252   9.907   0.746
  568   2HG   LYS  80          2HG       LYS  80 -12.698   9.426   1.635
  569   1HD   LYS  80          1HD       LYS  80 -12.485  12.325   1.415
  570   2HD   LYS  80          2HD       LYS  80 -12.505  11.549  -0.170
  571   1HE   LYS  80          1HE       LYS  80 -14.799  11.972   0.482
  572   2HE   LYS  80          2HE       LYS  80 -14.515  10.234   0.575
  573   1HZ   LYS  80          1HZ       LYS  80 -13.990  11.819   2.971
  574   2HZ   LYS  80          3HZ       LYS  80 -15.612  11.572   2.544
  575   3HZ   LYS  80          2HZ       LYS  80 -14.598  10.240   2.824
  576    H    GLU  81           H        GLU  81  -8.376  11.312   4.538
  577    HA   GLU  81           HA       GLU  81  -9.025  14.226   4.701
  578   1HB   GLU  81          1HB       GLU  81  -8.054  14.176   6.940
  579   2HB   GLU  81          2HB       GLU  81  -9.226  12.868   6.794
  580   1HG   GLU  81          1HG       GLU  81  -7.407  11.289   6.322
  581   2HG   GLU  81          2HG       GLU  81  -6.227  12.587   6.471
  582    H    GLY  82           H        GLY  82  -6.333  11.964   4.410
  583   1HA   GLY  82          1HA       GLY  82  -4.248  13.944   4.300
  584   2HA   GLY  82          2HA       GLY  82  -4.135  12.312   3.625
  585    H    VAL  83           H        VAL  83  -6.347  12.440   1.888
  586    HA   VAL  83           HA       VAL  83  -5.218  13.562  -0.468
  587    HB   VAL  83           HB       VAL  83  -8.120  12.948   0.182
  588   1HG1  VAL  83          2HG1      VAL  83  -6.900  14.184  -2.126
  589   2HG1  VAL  83          1HG1      VAL  83  -7.587  12.621  -2.571
  590   3HG1  VAL  83          3HG1      VAL  83  -8.604  13.851  -1.820
  591   1HG2  VAL  83          1HG2      VAL  83  -5.999  11.210   0.044
  592   2HG2  VAL  83          3HG2      VAL  83  -7.672  10.774  -0.298
  593   3HG2  VAL  83          2HG2      VAL  83  -6.584  11.193  -1.618
  594    H    ALA  84           H        ALA  84  -7.704  14.849   1.741
  595    HA   ALA  84           HA       ALA  84  -7.820  17.378   0.236
  596   1HB   ALA  84          2HB       ALA  84  -9.438  16.009   2.246
  597   2HB   ALA  84          1HB       ALA  84  -9.242  17.727   2.597
  598   3HB   ALA  84          3HB       ALA  84  -9.918  17.215   1.050
  599    H    SER  85           H        SER  85  -5.748  16.145   2.561
  600    HA   SER  85           HA       SER  85  -5.406  18.731   3.967
  601   1HB   SER  85          1HB       SER  85  -5.311  16.799   5.406
  602   2HB   SER  85          2HB       SER  85  -4.153  15.999   4.347
  603    HG   SER  85           HG       SER  85  -2.619  17.077   5.287
  604    H    GLY  86           H        GLY  86  -3.977  16.829   1.433
  605   1HA   GLY  86          1HA       GLY  86  -2.356  17.564  -0.139
  606   2HA   GLY  86          2HA       GLY  86  -2.112  19.018   0.838
  607    H    ASN  87           H        ASN  87  -2.023  15.882   2.345
  608    HA   ASN  87           HA       ASN  87   0.789  15.376   2.091
  609   1HB   ASN  87          1HB       ASN  87   0.024  17.411   3.997
  610   2HB   ASN  87          2HB       ASN  87   0.723  16.030   4.843
  611   1HD2  ASN  87          2HD2      ASN  87   3.236  18.528   3.113
  612   2HD2  ASN  87          1HD2      ASN  87   1.670  18.908   3.646
  613    H    LEU  88           H        LEU  88  -0.968  13.513   1.780
  614    HA   LEU  88           HA       LEU  88  -2.197  12.276   3.999
  615   1HB   LEU  88          1HB       LEU  88  -2.276  11.680   1.440
  616   2HB   LEU  88          2HB       LEU  88  -0.940  10.601   1.846
  617    HG   LEU  88           HG       LEU  88  -3.213  10.507   3.721
  618   1HD1  LEU  88          2HD1      LEU  88  -3.630  10.250   0.845
  619   2HD1  LEU  88          1HD1      LEU  88  -4.074   8.785   1.719
  620   3HD1  LEU  88          3HD1      LEU  88  -4.816  10.326   2.145
  621   1HD2  LEU  88          1HD2      LEU  88  -1.064   9.015   3.476
  622   2HD2  LEU  88          3HD2      LEU  88  -2.603   8.250   3.872
  623   3HD2  LEU  88          2HD2      LEU  88  -1.995   8.205   2.217
  624    H    ASN  89           H        ASN  89  -1.337  11.387   5.789
  625    HA   ASN  89           HA       ASN  89   1.122   9.814   5.672
  626   1HB   ASN  89          1HB       ASN  89   2.035  12.108   5.835
  627   2HB   ASN  89          2HB       ASN  89   1.065  12.385   7.281
  628   1HD2  ASN  89          2HD2      ASN  89   3.459  10.901   9.379
  629   2HD2  ASN  89          1HD2      ASN  89   2.133  11.948   9.213
  630    H    THR  90           H        THR  90  -0.440   8.244   6.462
  631    HA   THR  90           HA       THR  90  -0.867   8.536   9.398
  632    HB   THR  90           HB       THR  90  -2.996   9.120   8.294
  633    HG1  THR  90           HG1      THR  90  -3.232   6.499   9.309
  634   1HG2  THR  90          3HG2      THR  90  -2.231   7.258   6.408
  635   2HG2  THR  90          2HG2      THR  90  -3.506   6.413   7.284
  636   3HG2  THR  90          1HG2      THR  90  -3.837   7.974   6.534
  637    H    MET  91           H        MET  91  -1.562   6.343  10.325
  638    HA   MET  91           HA       MET  91  -0.747   3.965   8.826
  639   1HB   MET  91          1HB       MET  91   1.055   3.364  10.449
  640   2HB   MET  91          2HB       MET  91   1.452   4.804   9.511
  641   1HG   MET  91          2HG       MET  91   0.896   6.257  11.330
  642   2HG   MET  91          1HG       MET  91   0.135   4.947  12.230
  643   1HE   MET  91          3HE       MET  91   1.867   7.005  13.058
  644   2HE   MET  91          2HE       MET  91   2.545   6.065  14.384
  645   3HE   MET  91          1HE       MET  91   3.617   6.777  13.181
  646    H    PHE  92           H        PHE  92  -0.948   1.994  10.360
  647    HA   PHE  92           HA       PHE  92  -2.149   2.188  12.922
  648   1HB   PHE  92          1HB       PHE  92  -4.547   1.612  12.251
  649   2HB   PHE  92          2HB       PHE  92  -4.054   3.285  11.990
  650    HD1  PHE  92           HD1      PHE  92  -4.352  -0.018  10.284
  651    HD2  PHE  92           HD2      PHE  92  -4.112   4.239   9.838
  652    HE1  PHE  92           HE1      PHE  92  -4.839  -0.245   7.862
  653    HE2  PHE  92           HE2      PHE  92  -4.599   4.018   7.418
  654    HZ   PHE  92           HZ       PHE  92  -4.937   1.775   6.427
  655    H    GLU  93           H        GLU  93  -2.858   0.098  13.714
  656    HA   GLU  93           HA       GLU  93  -1.600  -2.112  12.259
  657   1HB   GLU  93          1HB       GLU  93  -2.275  -3.465  14.231
  658   2HB   GLU  93          2HB       GLU  93  -1.396  -2.011  14.705
  659   1HG   GLU  93          1HG       GLU  93  -4.066  -1.193  14.584
  660   2HG   GLU  93          2HG       GLU  93  -4.130  -2.791  15.330
  661    H    TYR  94           H        TYR  94  -2.756  -2.846  10.533
  662    HA   TYR  94           HA       TYR  94  -5.704  -3.148  10.877
  663   1HB   TYR  94          1HB       TYR  94  -4.208  -1.986   8.816
  664   2HB   TYR  94          2HB       TYR  94  -4.716  -3.546   8.169
  665    HD1  TYR  94           HD1      TYR  94  -6.196  -0.849  10.333
  666    HD2  TYR  94           HD2      TYR  94  -6.730  -3.529   7.018
  667    HE1  TYR  94           HE1      TYR  94  -8.484   0.041   9.980
  668    HE2  TYR  94           HE2      TYR  94  -9.016  -2.641   6.668
  669    HH   TYR  94           HH       TYR  94 -10.474  -0.370   8.932
  670    H    THR  95           H        THR  95  -6.474  -5.021   9.302
  671    HA   THR  95           HA       THR  95  -4.667  -7.358   9.397
  672    HB   THR  95           HB       THR  95  -7.397  -7.306  10.727
  673    HG1  THR  95           HG1      THR  95  -4.852  -7.857  11.831
  674   1HG2  THR  95          1HG2      THR  95  -6.294  -9.426   9.405
  675   2HG2  THR  95          3HG2      THR  95  -5.621  -9.648  11.018
  676   3HG2  THR  95          2HG2      THR  95  -7.368  -9.581  10.792
  677    H    PHE  96           H        PHE  96  -4.754  -7.923   7.271
  678    HA   PHE  96           HA       PHE  96  -7.179  -7.434   5.696
  679   1HB   PHE  96          1HB       PHE  96  -4.615  -8.875   4.950
  680   2HB   PHE  96          2HB       PHE  96  -5.887  -8.407   3.827
  681    HD1  PHE  96           HD1      PHE  96  -6.350  -5.704   5.586
  682    HD2  PHE  96           HD2      PHE  96  -3.014  -7.534   3.582
  683    HE1  PHE  96           HE1      PHE  96  -5.288  -3.483   5.322
  684    HE2  PHE  96           HE2      PHE  96  -1.956  -5.309   3.323
  685    HZ   PHE  96           HZ       PHE  96  -3.091  -3.284   4.191
  686    H    ASP  97           H        ASP  97  -8.863  -8.821   5.729
  687    HA   ASP  97           HA       ASP  97  -8.319 -11.731   5.682
  688   1HB   ASP  97          1HB       ASP  97 -10.054 -12.061   7.504
  689   2HB   ASP  97          2HB       ASP  97  -8.531 -11.359   8.051
  690    H    TYR  98           H        TYR  98  -9.266 -10.217   3.560
  691    HA   TYR  98           HA       TYR  98 -12.197 -10.318   3.509
  692   1HB   TYR  98          1HB       TYR  98 -11.947  -9.697   1.133
  693   2HB   TYR  98          2HB       TYR  98 -10.915  -8.667   2.124
  694    HD1  TYR  98           HD1      TYR  98 -10.919 -11.719  -0.004
  695    HD2  TYR  98           HD2      TYR  98  -8.551  -8.643   1.814
  696    HE1  TYR  98           HE1      TYR  98  -8.943 -12.502  -1.271
  697    HE2  TYR  98           HE2      TYR  98  -6.562  -9.414   0.533
  698    HH   TYR  98           HH       TYR  98  -6.142 -10.680  -1.611
  699    H    GLN  99           H        GLN  99 -13.393 -12.066   2.740
  700    HA   GLN  99           HA       GLN  99 -13.353 -14.565   2.864
  701   1HB   GLN  99          1HB       GLN  99 -13.652 -15.035   0.299
  702   2HB   GLN  99          2HB       GLN  99 -14.828 -14.044   1.156
  703   1HG   GLN  99          1HG       GLN  99 -12.675 -12.370   0.235
  704   2HG   GLN  99          2HG       GLN  99 -13.291 -13.321  -1.112
  705   1HE2  GLN  99          2HE2      GLN  99 -16.381 -11.602  -1.251
  706   2HE2  GLN  99          1HE2      GLN  99 -15.432 -12.863  -1.876
  707    H    MET 100           H        MET 100 -10.980 -14.662   3.615
  708    HA   MET 100           HA       MET 100  -9.566 -16.611   2.042
  709   1HB   MET 100          1HB       MET 100  -9.198 -14.065   1.048
  710   2HB   MET 100          2HB       MET 100  -7.869 -14.189   2.203
  711   1HG   MET 100          2HG       MET 100  -7.034 -16.191   1.131
  712   2HG   MET 100          1HG       MET 100  -8.457 -16.289   0.097
  713   1HE   MET 100          1HE       MET 100  -6.094 -13.825   1.497
  714   2HE   MET 100          3HE       MET 100  -4.812 -14.426   0.437
  715   3HE   MET 100          2HE       MET 100  -5.500 -12.826   0.174
  716    H    THR 101           H        THR 101  -7.061 -16.490   3.017
  717    HA   THR 101           HA       THR 101  -7.326 -17.051   5.814
  718    HB   THR 101           HB       THR 101  -5.525 -18.071   4.563
  719    HG1  THR 101           HG1      THR 101  -4.676 -17.846   6.486
  720   1HG2  THR 101          2HG2      THR 101  -5.204 -15.334   3.586
  721   2HG2  THR 101          1HG2      THR 101  -3.669 -16.083   4.027
  722   3HG2  THR 101          3HG2      THR 101  -4.718 -16.856   2.839
  723    HA   PRO 102           HA       PRO 102  -7.048 -12.956   7.434
  724   1HB   PRO 102          1HB       PRO 102  -6.133 -13.535   9.962
  725   2HB   PRO 102          2HB       PRO 102  -7.809 -13.784   9.440
  726   1HG   PRO 102          1HG       PRO 102  -5.655 -15.804   9.872
  727   2HG   PRO 102          2HG       PRO 102  -7.412 -15.993   9.998
  728   1HD   PRO 102          1HD       PRO 102  -5.824 -16.839   7.826
  729   2HD   PRO 102          2HD       PRO 102  -7.591 -16.670   7.812
  730    H    THR 103           H        THR 103  -5.472 -11.337   8.077
  731    HA   THR 103           HA       THR 103  -2.633 -12.165   8.164
  732    HB   THR 103           HB       THR 103  -3.875 -10.447   6.009
  733    HG1  THR 103           HG1      THR 103  -3.001 -11.917   4.729
  734   1HG2  THR 103          3HG2      THR 103  -1.121 -10.260   7.178
  735   2HG2  THR 103          2HG2      THR 103  -1.304 -10.092   5.431
  736   3HG2  THR 103          1HG2      THR 103  -2.146  -8.986   6.518
  737    H    LYS 104           H        LYS 104  -1.312 -10.619   9.164
  738    HA   LYS 104           HA       LYS 104  -2.741  -8.273  10.351
  739   1HB   LYS 104          1HB       LYS 104  -0.871  -8.527  12.162
  740   2HB   LYS 104          2HB       LYS 104  -2.243  -9.632  12.229
  741   1HG   LYS 104          1HG       LYS 104   0.077 -10.466  10.558
  742   2HG   LYS 104          2HG       LYS 104   0.301 -10.498  12.307
  743   1HD   LYS 104          1HD       LYS 104  -1.958 -11.754  12.380
  744   2HD   LYS 104          2HD       LYS 104  -1.720 -12.005  10.650
  745   1HE   LYS 104          1HE       LYS 104  -0.485 -13.809  11.221
  746   2HE   LYS 104          2HE       LYS 104   0.749 -12.663  11.742
  747   1HZ   LYS 104          3HZ       LYS 104  -0.451 -12.605  13.927
  748   2HZ   LYS 104          2HZ       LYS 104  -1.362 -13.934  13.387
  749   3HZ   LYS 104          1HZ       LYS 104   0.323 -14.070  13.564
  750    H    VAL 105           H        VAL 105  -1.615  -6.288  10.162
  751    HA   VAL 105           HA       VAL 105   1.208  -6.320   9.314
  752    HB   VAL 105           HB       VAL 105   0.869  -5.191   7.211
  753   1HG1  VAL 105          2HG1      VAL 105   0.643  -7.690   7.198
  754   2HG1  VAL 105          1HG1      VAL 105  -1.102  -7.500   7.325
  755   3HG1  VAL 105          3HG1      VAL 105  -0.253  -6.918   5.895
  756   1HG2  VAL 105          2HG2      VAL 105  -1.876  -4.830   8.245
  757   2HG2  VAL 105          1HG2      VAL 105  -0.947  -3.817   7.140
  758   3HG2  VAL 105          3HG2      VAL 105  -1.792  -5.242   6.532
  759    H    LYS 106           H        LYS 106   2.192  -4.304   9.696
  760    HA   LYS 106           HA       LYS 106   0.454  -2.264  10.996
  761   1HB   LYS 106          1HB       LYS 106   2.705  -1.104  11.454
  762   2HB   LYS 106          2HB       LYS 106   2.429  -2.614  12.320
  763   1HG   LYS 106          1HG       LYS 106   3.728  -2.801   9.658
  764   2HG   LYS 106          2HG       LYS 106   4.694  -2.136  10.972
  765   1HD   LYS 106          1HD       LYS 106   3.167  -4.522  11.751
  766   2HD   LYS 106          2HD       LYS 106   4.352  -4.836  10.483
  767   1HE   LYS 106          1HE       LYS 106   5.892  -4.938  12.136
  768   2HE   LYS 106          2HE       LYS 106   5.724  -3.186  12.248
  769   1HZ   LYS 106          3HZ       LYS 106   3.596  -4.369  13.638
  770   2HZ   LYS 106          2HZ       LYS 106   5.033  -5.117  14.151
  771   3HZ   LYS 106          1HZ       LYS 106   4.865  -3.431  14.259
  772    H    VAL 107           H        VAL 107  -0.409  -0.940   9.530
  773    HA   VAL 107           HA       VAL 107   0.702  -0.744   6.850
  774    HB   VAL 107           HB       VAL 107  -1.410   0.253   6.296
  775   1HG1  VAL 107          2HG1      VAL 107  -1.402  -1.990   7.877
  776   2HG1  VAL 107          1HG1      VAL 107  -2.579  -0.950   8.677
  777   3HG1  VAL 107          3HG1      VAL 107  -2.787  -1.371   6.977
  778   1HG2  VAL 107          3HG2      VAL 107  -0.985   1.960   8.402
  779   2HG2  VAL 107          2HG2      VAL 107  -2.481   1.833   7.521
  780   3HG2  VAL 107          1HG2      VAL 107  -2.266   0.954   9.019
  781    H    HIS 108           H        HIS 108   1.052   1.326   5.751
  782    HA   HIS 108           HA       HIS 108   1.418   3.755   7.335
  783   1HB   HIS 108          1HB       HIS 108   3.603   2.687   7.772
  784   2HB   HIS 108          2HB       HIS 108   3.851   2.472   6.036
  785    HD1  HIS 108           HD1      HIS 108   5.991   4.109   6.430
  786    HD2  HIS 108           HD2      HIS 108   2.235   5.859   6.857
  787    HE1  HIS 108           HE1      HIS 108   6.354   6.610   6.304
  788    H    MET 109           H        MET 109   0.033   4.780   5.854
  789    HA   MET 109           HA       MET 109   0.792   4.575   2.973
  790   1HB   MET 109          1HB       MET 109  -1.781   5.823   3.891
  791   2HB   MET 109          2HB       MET 109  -1.449   4.930   2.412
  792   1HG   MET 109          2HG       MET 109  -1.275   2.833   3.727
  793   2HG   MET 109          1HG       MET 109  -1.634   3.733   5.197
  794   1HE   MET 109          2HE       MET 109  -3.286   5.393   5.276
  795   2HE   MET 109          1HE       MET 109  -4.456   5.741   4.005
  796   3HE   MET 109          3HE       MET 109  -4.913   4.725   5.379
  797    H    LYS 110           H        LYS 110   1.175   6.520   1.716
  798    HA   LYS 110           HA       LYS 110   0.910   9.061   3.286
  799   1HB   LYS 110          1HB       LYS 110   3.322   7.802   3.125
  800   2HB   LYS 110          2HB       LYS 110   3.409   8.869   1.727
  801   1HG   LYS 110          1HG       LYS 110   2.949  10.804   3.130
  802   2HG   LYS 110          2HG       LYS 110   2.662   9.765   4.524
  803   1HD   LYS 110          1HD       LYS 110   4.876   9.467   4.920
  804   2HD   LYS 110          2HD       LYS 110   5.258   9.328   3.203
  805   1HE   LYS 110          1HE       LYS 110   4.879  11.842   3.043
  806   2HE   LYS 110          2HE       LYS 110   4.850  11.861   4.806
  807   1HZ   LYS 110          2HZ       LYS 110   7.048  10.747   4.745
  808   2HZ   LYS 110          1HZ       LYS 110   7.077  10.969   3.061
  809   3HZ   LYS 110          3HZ       LYS 110   7.059  12.315   4.092
  810    H    LYS 111           H        LYS 111   2.160  10.741   1.407
  811    HA   LYS 111           HA       LYS 111   0.249  10.482  -0.861
  812   1HB   LYS 111          1HB       LYS 111   0.080  12.566   0.429
  813   2HB   LYS 111          2HB       LYS 111   1.793  12.890   0.156
  814   1HG   LYS 111          1HG       LYS 111   1.278  12.796  -2.341
  815   2HG   LYS 111          2HG       LYS 111  -0.429  12.818  -1.895
  816   1HD   LYS 111          1HD       LYS 111   0.062  15.097  -2.220
  817   2HD   LYS 111          2HD       LYS 111   0.200  14.903  -0.472
  818   1HE   LYS 111          1HE       LYS 111   2.270  15.793  -0.687
  819   2HE   LYS 111          2HE       LYS 111   2.735  14.238  -1.378
  820   1HZ   LYS 111          3HZ       LYS 111   1.673  15.380  -3.507
  821   2HZ   LYS 111          2HZ       LYS 111   2.206  16.777  -2.702
  822   3HZ   LYS 111          1HZ       LYS 111   3.312  15.550  -3.103
  823    H    ALA 112           H        ALA 112   1.240   9.395  -2.488
  824    HA   ALA 112           HA       ALA 112   4.001   9.170  -2.973
  825   1HB   ALA 112          3HB       ALA 112   1.719   8.175  -4.115
  826   2HB   ALA 112          2HB       ALA 112   2.342   9.212  -5.398
  827   3HB   ALA 112          1HB       ALA 112   3.348   7.922  -4.738
  828    H    LEU 113           H        LEU 113   5.432  10.262  -4.384
  829    HA   LEU 113           HA       LEU 113   4.776  13.116  -4.767
  830   1HB   LEU 113          1HB       LEU 113   7.271  11.468  -4.736
  831   2HB   LEU 113          2HB       LEU 113   7.290  12.979  -5.647
  832    HG   LEU 113           HG       LEU 113   6.006  13.580  -3.211
  833   1HD1  LEU 113          1HD1      LEU 113   7.943  11.416  -2.921
  834   2HD1  LEU 113          3HD1      LEU 113   8.398  12.837  -1.983
  835   3HD1  LEU 113          2HD1      LEU 113   6.825  12.081  -1.733
  836   1HD2  LEU 113          2HD2      LEU 113   7.763  14.789  -4.785
  837   2HD2  LEU 113          1HD2      LEU 113   7.660  15.209  -3.077
  838   3HD2  LEU 113          3HD2      LEU 113   8.926  14.118  -3.642
  839    H    SER 114           H        SER 114   4.309  10.384  -6.594
  840    HA   SER 114           HA       SER 114   5.340  11.020  -9.146
  841   1HB   SER 114          1HB       SER 114   3.820   8.993  -8.167
  842   2HB   SER 114          2HB       SER 114   2.599   9.887  -9.067
  843    HG   SER 114           HG       SER 114   5.131   9.151 -10.118
  844    H    GLY 115           H        GLY 115   2.241  11.959  -7.654
  845   1HA   GLY 115          1HA       GLY 115   2.126  14.550  -8.715
  846   2HA   GLY 115          2HA       GLY 115   1.343  13.513  -9.909
  847    H    ASP 116           H        ASP 116   1.274  14.320  -6.436
  848    HA   ASP 116           HA       ASP 116  -0.524  14.350  -4.928
  849   1HB   ASP 116          1HB       ASP 116  -1.867  14.865  -7.580
  850   2HB   ASP 116          2HB       ASP 116  -2.814  14.739  -6.096
  851    H    SER 117           H        SER 117   0.267  11.891  -4.991
  852    HA   SER 117           HA       SER 117  -2.119  10.231  -5.694
  853   1HB   SER 117          1HB       SER 117   0.297   8.676  -5.332
  854   2HB   SER 117          2HB       SER 117  -0.770   8.761  -6.729
  855    HG   SER 117           HG       SER 117   0.324  10.779  -7.223
  856    H    TYR 118           H        TYR 118  -1.567   7.949  -4.334
  857    HA   TYR 118           HA       TYR 118  -0.964   8.601  -1.503
  858   1HB   TYR 118          1HB       TYR 118  -3.565   7.229  -2.124
  859   2HB   TYR 118          2HB       TYR 118  -3.132   8.098  -0.660
  860    HD1  TYR 118           HD2      TYR 118  -2.844  10.665  -0.854
  861    HD2  TYR 118           HD1      TYR 118  -4.716   8.221  -3.843
  862    HE1  TYR 118           HE2      TYR 118  -3.951  12.664  -1.805
  863    HE2  TYR 118           HE1      TYR 118  -5.815  10.203  -4.790
  864    HH   TYR 118           HH       TYR 118  -5.037  13.453  -3.682
  865    H    TRP 119           H        TRP 119   0.302   6.846  -0.827
  866    HA   TRP 119           HA       TRP 119  -0.364   4.237  -2.057
  867   1HB   TRP 119          1HB       TRP 119   2.078   3.660  -1.775
  868   2HB   TRP 119          2HB       TRP 119   1.657   4.774  -3.064
  869    HD1  TRP 119           HD1      TRP 119   2.944   6.965  -3.078
  870    HE1  TRP 119           HE1      TRP 119   4.570   8.154  -1.466
  871    HE3  TRP 119           HE3      TRP 119   2.364   4.009   0.847
  872    HZ2  TRP 119           HZ2      TRP 119   5.511   7.811   1.236
  873    HZ3  TRP 119           HZ3      TRP 119   3.621   4.378   2.980
  874    HH2  TRP 119           HH2      TRP 119   5.192   6.281   3.165
  875    H    VAL 120           H        VAL 120   0.069   2.319  -0.864
  876    HA   VAL 120           HA       VAL 120   0.001   2.772   2.087
  877    HB   VAL 120           HB       VAL 120  -1.503   0.651   0.503
  878   1HG1  VAL 120          3HG1      VAL 120  -0.837   0.982   3.308
  879   2HG1  VAL 120          2HG1      VAL 120  -2.584   1.010   3.071
  880   3HG1  VAL 120          1HG1      VAL 120  -1.638  -0.368   2.506
  881   1HG2  VAL 120          3HG2      VAL 120  -2.239   3.370   1.550
  882   2HG2  VAL 120          2HG2      VAL 120  -2.697   2.597   0.033
  883   3HG2  VAL 120          1HG2      VAL 120  -3.457   2.095   1.543
  884    H    PHE 121           H        PHE 121   1.886   1.964   2.891
  885    HA   PHE 121           HA       PHE 121   3.107  -0.408   1.626
  886   1HB   PHE 121          1HB       PHE 121   4.235   1.361   3.811
  887   2HB   PHE 121          2HB       PHE 121   5.103   0.088   2.955
  888    HD1  PHE 121           HD1      PHE 121   3.283   1.101   0.341
  889    HD2  PHE 121           HD2      PHE 121   6.229   2.778   2.979
  890    HE1  PHE 121           HE1      PHE 121   3.906   2.746  -1.405
  891    HE2  PHE 121           HE2      PHE 121   6.825   4.445   1.240
  892    HZ   PHE 121           HZ       PHE 121   5.667   4.414  -0.950
  893    H    VAL 122           H        VAL 122   2.355  -2.292   2.429
  894    HA   VAL 122           HA       VAL 122   1.491  -2.291   5.260
  895    HB   VAL 122           HB       VAL 122   0.690  -3.732   2.800
  896   1HG1  VAL 122          3HG1      VAL 122   1.119  -5.215   5.374
  897   2HG1  VAL 122          2HG1      VAL 122  -0.291  -5.602   4.397
  898   3HG1  VAL 122          1HG1      VAL 122   1.327  -5.775   3.720
  899   1HG2  VAL 122          3HG2      VAL 122  -0.441  -2.258   4.982
  900   2HG2  VAL 122          2HG2      VAL 122  -1.219  -2.774   3.487
  901   3HG2  VAL 122          1HG2      VAL 122  -1.231  -3.832   4.898
  902    H    LYS 123           H        LYS 123   2.867  -2.958   6.707
  903    HA   LYS 123           HA       LYS 123   5.147  -4.728   5.961
  904   1HB   LYS 123          1HB       LYS 123   4.941  -2.647   7.738
  905   2HB   LYS 123          2HB       LYS 123   4.717  -4.031   8.789
  906   1HG   LYS 123          1HG       LYS 123   7.093  -3.326   8.601
  907   2HG   LYS 123          2HG       LYS 123   6.812  -4.991   8.110
  908   1HD   LYS 123          1HD       LYS 123   7.228  -4.546   5.877
  909   2HD   LYS 123          2HD       LYS 123   6.726  -2.862   6.007
  910   1HE   LYS 123          1HE       LYS 123   9.217  -3.096   5.759
  911   2HE   LYS 123          2HE       LYS 123   8.765  -2.318   7.261
  912   1HZ   LYS 123          2HZ       LYS 123   8.888  -5.182   7.447
  913   2HZ   LYS 123          1HZ       LYS 123  10.376  -4.467   7.046
  914   3HZ   LYS 123          3HZ       LYS 123   9.566  -3.994   8.457
  915    H    ARG 124           H        ARG 124   4.847  -6.935   6.124
  916    HA   ARG 124           HA       ARG 124   2.469  -7.952   7.459
  917   1HB   ARG 124          1HB       ARG 124   3.472  -9.071   5.466
  918   2HB   ARG 124          2HB       ARG 124   4.879  -9.497   6.441
  919   1HG   ARG 124          1HG       ARG 124   3.411 -10.749   7.994
  920   2HG   ARG 124          2HG       ARG 124   2.019 -10.344   6.990
  921   1HD   ARG 124          1HD       ARG 124   2.514 -12.367   6.028
  922   2HD   ARG 124          2HD       ARG 124   3.632 -11.375   5.093
  923    HE   ARG 124           HE       ARG 124   5.270 -12.025   7.078
  924   1HH1  ARG 124          2HH1      ARG 124   3.581 -14.092   8.267
  925   2HH1  ARG 124          1HH1      ARG 124   4.026 -15.526   7.403
  926   1HH2  ARG 124          1HH2      ARG 124   5.524 -13.804   4.791
  927   2HH2  ARG 124          2HH2      ARG 124   5.127 -15.362   5.434
  928    H    VAL 125           H        VAL 125   2.279  -8.165   9.594
  929    HA   VAL 125           HA       VAL 125   4.672  -8.177  11.297
  930    HB   VAL 125           HB       VAL 125   2.016  -8.625  12.549
  931   1HG1  VAL 125          2HG1      VAL 125   4.374  -6.782  12.931
  932   2HG1  VAL 125          1HG1      VAL 125   2.911  -6.674  13.909
  933   3HG1  VAL 125          3HG1      VAL 125   3.886  -8.142  13.943
  934   1HG2  VAL 125          3HG2      VAL 125   2.573  -6.308  10.733
  935   2HG2  VAL 125          2HG2      VAL 125   1.040  -7.102  11.096
  936   3HG2  VAL 125          1HG2      VAL 125   1.750  -5.984  12.259
  937    H2   HC4  69           H2       HC4  69  -6.705  -4.480   3.133
  938    H3   HC4  69           H3       HC4  69  -7.509  -7.057   1.709
  939    H2'  HC4  69           H2'      HC4  69  -5.854  -7.781   0.059
  940    H3'  HC4  69           H3'      HC4  69  -3.695  -7.529  -1.118
  941    H5'  HC4  69           H5'      HC4  69  -2.927  -3.885   1.056
  942    H6'  HC4  69           H6'      HC4  69  -5.086  -4.156   2.234
   
  No H/Q in entry =         942
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1  14.356   2.665   9.976
    2   2H    MET   1           H3       MET   1  15.978   2.190   9.835
    3   3H    MET   1           H2       MET   1  14.858   1.167  10.603
    4    HA   MET   1           HA       MET   1  14.928   2.276  12.539
    5   1HB   MET   1          1HB       MET   1  17.285   1.745  12.015
    6   2HB   MET   1          2HB       MET   1  17.458   3.308  11.215
    7   1HG   MET   1          2HG       MET   1  17.682   4.407  13.180
    8   2HG   MET   1          1HG       MET   1  16.340   3.530  13.914
    9   1HE   MET   1          1HE       MET   1  19.752   3.532  12.621
   10   2HE   MET   1          3HE       MET   1  20.749   2.534  13.689
   11   3HE   MET   1          2HE       MET   1  19.800   1.784  12.408
   12    H    GLU   2           H        GLU   2  13.049   3.711  11.806
   13    HA   GLU   2           HA       GLU   2  12.060   5.839  11.686
   14   1HB   GLU   2          1HB       GLU   2  13.411   5.963  13.859
   15   2HB   GLU   2          2HB       GLU   2  14.630   6.837  12.932
   16   1HG   GLU   2          1HG       GLU   2  12.606   8.325  12.182
   17   2HG   GLU   2          2HG       GLU   2  11.825   7.667  13.619
   18    H    HIS   3           H        HIS   3  13.555   4.971   9.371
   19    HA   HIS   3           HA       HIS   3  14.554   7.619   8.396
   20   1HB   HIS   3          1HB       HIS   3  15.644   4.872   8.105
   21   2HB   HIS   3          2HB       HIS   3  15.719   5.898   6.673
   22    HD1  HIS   3           HD1      HIS   3  18.355   5.207   7.998
   23    HD2  HIS   3           HD2      HIS   3  16.116   8.555   9.076
   24    HE1  HIS   3           HE1      HIS   3  19.968   6.827   9.088
   25    H    VAL   4           H        VAL   4  12.481   4.861   7.771
   26    HA   VAL   4           HA       VAL   4  10.933   6.347   5.855
   27    HB   VAL   4           HB       VAL   4  12.875   5.871   4.401
   28   1HG1  VAL   4          2HG1      VAL   4  13.169   3.586   5.805
   29   2HG1  VAL   4          1HG1      VAL   4  12.282   2.954   4.418
   30   3HG1  VAL   4          3HG1      VAL   4  13.818   3.787   4.177
   31   1HG2  VAL   4          3HG2      VAL   4  10.168   5.279   3.879
   32   2HG2  VAL   4          2HG2      VAL   4  11.428   5.601   2.686
   33   3HG2  VAL   4          1HG2      VAL   4  11.080   3.941   3.177
   34    H    ALA   5           H        ALA   5   8.954   5.574   6.458
   35    HA   ALA   5           HA       ALA   5   7.268   4.019   7.010
   36   1HB   ALA   5          2HB       ALA   5   9.077   2.367   5.227
   37   2HB   ALA   5          1HB       ALA   5   7.482   1.829   5.751
   38   3HB   ALA   5          3HB       ALA   5   7.643   3.260   4.732
   39    H    PHE   6           H        PHE   6   7.351   1.320   7.567
   40    HA   PHE   6           HA       PHE   6   8.279   1.132  10.230
   41   1HB   PHE   6          1HB       PHE   6   8.493  -1.386   8.667
   42   2HB   PHE   6          2HB       PHE   6   7.651  -1.079  10.179
   43    HD1  PHE   6           HD1      PHE   6   5.422   0.088  10.135
   44    HD2  PHE   6           HD2      PHE   6   7.349  -1.330   6.559
   45    HE1  PHE   6           HE1      PHE   6   3.266   0.196   8.922
   46    HE2  PHE   6           HE2      PHE   6   5.177  -1.236   5.363
   47    HZ   PHE   6           HZ       PHE   6   3.154  -0.468   6.544
   48    H    GLY   7           H        GLY   7   9.758  -0.272   7.343
   49   1HA   GLY   7          1HA       GLY   7  12.447   0.528   8.101
   50   2HA   GLY   7          2HA       GLY   7  12.166  -1.210   8.276
   51    H    SER   8           H        SER   8  10.551   0.796   5.921
   52    HA   SER   8           HA       SER   8  11.236  -0.975   3.770
   53   1HB   SER   8          1HB       SER   8  10.133   1.788   3.361
   54   2HB   SER   8          2HB       SER   8   9.794   0.316   2.477
   55    HG   SER   8           HG       SER   8   8.083   0.640   3.815
   56    H    GLU   9           H        GLU   9  11.908   0.401   1.590
   57    HA   GLU   9           HA       GLU   9  14.552   1.659   2.262
   58   1HB   GLU   9          1HB       GLU   9  13.738  -0.432   0.306
   59   2HB   GLU   9          2HB       GLU   9  14.923   0.747  -0.257
   60   1HG   GLU   9          1HG       GLU   9  15.987   0.202   2.161
   61   2HG   GLU   9          2HG       GLU   9  15.182  -1.338   1.858
   62    H    ASP  10           H        ASP  10  13.030   3.721   2.145
   63    HA   ASP  10           HA       ASP  10  12.211   5.571   0.902
   64   1HB   ASP  10          1HB       ASP  10  14.836   5.021   0.143
   65   2HB   ASP  10          2HB       ASP  10  13.982   5.124  -1.396
   66    H    ILE  11           H        ILE  11  10.184   4.464   0.433
   67    HA   ILE  11           HA       ILE  11  10.000   2.882  -1.997
   68    HB   ILE  11           HB       ILE  11   7.597   3.778  -0.623
   69   1HG1  ILE  11          1HG1      ILE  11   8.937   3.419   1.353
   70   2HG1  ILE  11          2HG1      ILE  11   7.923   1.996   1.140
   71   1HG2  ILE  11          1HG2      ILE  11   8.180   1.912  -2.481
   72   2HG2  ILE  11          3HG2      ILE  11   8.197   0.945  -1.012
   73   3HG2  ILE  11          2HG2      ILE  11   6.754   1.856  -1.447
   74   1HD1  ILE  11          2HD1      ILE  11  10.507   1.875  -0.283
   75   2HD1  ILE  11          1HD1      ILE  11  10.622   1.893   1.470
   76   3HD1  ILE  11          3HD1      ILE  11   9.673   0.653   0.662
   77    H    GLU  12           H        GLU  12   8.197   5.770  -0.903
   78    HA   GLU  12           HA       GLU  12   6.953   6.327  -3.287
   79   1HB   GLU  12          1HB       GLU  12   7.118   8.785  -2.641
   80   2HB   GLU  12          2HB       GLU  12   6.491   7.719  -1.384
   81   1HG   GLU  12          1HG       GLU  12   8.793   7.567  -0.426
   82   2HG   GLU  12          2HG       GLU  12   9.335   8.745  -1.621
   83    H    ASN  13           H        ASN  13  10.379   6.647  -2.666
   84    HA   ASN  13           HA       ASN  13  10.879   8.306  -5.029
   85   1HB   ASN  13          1HB       ASN  13  12.304   7.818  -2.744
   86   2HB   ASN  13          2HB       ASN  13  13.122   6.758  -3.893
   87   1HD2  ASN  13          2HD2      ASN  13  13.815  10.704  -4.071
   88   2HD2  ASN  13          1HD2      ASN  13  13.011   9.961  -2.774
   89    H    THR  14           H        THR  14  11.370   4.872  -4.124
   90    HA   THR  14           HA       THR  14  12.377   4.115  -6.731
   91    HB   THR  14           HB       THR  14  11.485   2.682  -4.237
   92    HG1  THR  14           HG1      THR  14  13.702   2.620  -5.995
   93   1HG2  THR  14          2HG2      THR  14  11.462   1.475  -7.001
   94   2HG2  THR  14          1HG2      THR  14  11.941   0.497  -5.615
   95   3HG2  THR  14          3HG2      THR  14  10.333   1.220  -5.670
   96    H    LEU  15           H        LEU  15   9.300   3.495  -5.124
   97    HA   LEU  15           HA       LEU  15   7.697   2.404  -7.047
   98   1HB   LEU  15          1HB       LEU  15   6.840   4.749  -5.320
   99   2HB   LEU  15          2HB       LEU  15   5.784   3.527  -6.022
  100    HG   LEU  15           HG       LEU  15   7.995   2.889  -4.066
  101   1HD1  LEU  15          2HD1      LEU  15   5.366   4.036  -3.616
  102   2HD1  LEU  15          1HD1      LEU  15   5.538   2.471  -2.821
  103   3HD1  LEU  15          3HD1      LEU  15   6.680   3.769  -2.470
  104   1HD2  LEU  15          2HD2      LEU  15   6.753   1.227  -5.790
  105   2HD2  LEU  15          1HD2      LEU  15   7.271   0.715  -4.183
  106   3HD2  LEU  15          3HD2      LEU  15   5.594   1.188  -4.461
  107    H    ALA  16           H        ALA  16   8.857   5.731  -6.968
  108    HA   ALA  16           HA       ALA  16   7.132   6.818  -8.966
  109   1HB   ALA  16          3HB       ALA  16   9.496   7.635  -7.539
  110   2HB   ALA  16          2HB       ALA  16   9.688   8.016  -9.251
  111   3HB   ALA  16          1HB       ALA  16   8.302   8.642  -8.357
  112    H    LYS  17           H        LYS  17  10.516   5.687  -9.363
  113    HA   LYS  17           HA       LYS  17   9.943   5.304 -12.257
  114   1HB   LYS  17          1HB       LYS  17  12.134   6.373 -10.974
  115   2HB   LYS  17          2HB       LYS  17  12.664   4.721 -11.294
  116   1HG   LYS  17          1HG       LYS  17  13.266   5.791 -13.278
  117   2HG   LYS  17          2HG       LYS  17  11.669   5.165 -13.688
  118   1HD   LYS  17          1HD       LYS  17  11.781   7.488 -14.385
  119   2HD   LYS  17          2HD       LYS  17  10.693   7.375 -13.001
  120   1HE   LYS  17          1HE       LYS  17  12.087   8.564 -11.648
  121   2HE   LYS  17          2HE       LYS  17  13.534   7.810 -12.314
  122   1HZ   LYS  17          1HZ       LYS  17  13.075   9.186 -14.367
  123   2HZ   LYS  17          3HZ       LYS  17  11.975  10.066 -13.423
  124   3HZ   LYS  17          2HZ       LYS  17  13.620  10.031 -12.997
  125    H    MET  18           H        MET  18   8.887   3.498 -10.178
  126    HA   MET  18           HA       MET  18  10.436   1.012 -10.756
  127   1HB   MET  18          1HB       MET  18  10.035   1.486  -8.368
  128   2HB   MET  18          2HB       MET  18   8.298   1.543  -8.671
  129   1HG   MET  18          2HG       MET  18   9.437  -0.890  -9.756
  130   2HG   MET  18          1HG       MET  18   9.826  -0.738  -8.043
  131   1HE   MET  18          1HE       MET  18   8.803  -1.329  -6.462
  132   2HE   MET  18          3HE       MET  18   7.076  -1.387  -6.087
  133   3HE   MET  18          2HE       MET  18   7.847  -2.739  -6.910
  134    H    ASP  19           H        ASP  19   9.598  -0.332 -12.267
  135    HA   ASP  19           HA       ASP  19   6.941   0.172 -13.380
  136   1HB   ASP  19          1HB       ASP  19   8.912  -0.556 -14.762
  137   2HB   ASP  19          2HB       ASP  19   8.838  -2.124 -13.956
  138    H    ASP  20           H        ASP  20   8.496  -2.597 -11.720
  139    HA   ASP  20           HA       ASP  20   6.298  -3.181 -10.038
  140   1HB   ASP  20          1HB       ASP  20   5.853  -3.958 -12.763
  141   2HB   ASP  20          2HB       ASP  20   6.032  -5.416 -11.788
  142    H    GLY  21           H        GLY  21   8.941  -4.507 -11.982
  143   1HA   GLY  21          1HA       GLY  21   9.490  -6.472  -9.806
  144   2HA   GLY  21          2HA       GLY  21  10.111  -6.593 -11.452
  145    H    GLN  22           H        GLN  22  10.145  -3.529  -9.758
  146    HA   GLN  22           HA       GLN  22  13.096  -3.528  -9.934
  147   1HB   GLN  22          1HB       GLN  22  11.383  -1.563 -10.488
  148   2HB   GLN  22          2HB       GLN  22  11.556  -1.243  -8.761
  149   1HG   GLN  22          1HG       GLN  22  14.146  -1.549  -9.351
  150   2HG   GLN  22          2HG       GLN  22  13.586  -1.032 -10.941
  151   1HE2  GLN  22          2HE2      GLN  22  12.866   2.299  -9.907
  152   2HE2  GLN  22          1HE2      GLN  22  12.628   1.137 -11.120
  153    H    LEU  23           H        LEU  23  10.541  -3.414  -7.469
  154    HA   LEU  23           HA       LEU  23  12.622  -4.106  -5.452
  155   1HB   LEU  23          1HB       LEU  23  11.039  -1.659  -5.560
  156   2HB   LEU  23          2HB       LEU  23  10.770  -2.539  -4.058
  157    HG   LEU  23           HG       LEU  23  13.469  -1.739  -5.187
  158   1HD1  LEU  23          3HD1      LEU  23  11.617  -0.239  -3.729
  159   2HD1  LEU  23          2HD1      LEU  23  12.754  -0.818  -2.514
  160   3HD1  LEU  23          1HD1      LEU  23  13.338   0.109  -3.895
  161   1HD2  LEU  23          1HD2      LEU  23  12.640  -3.716  -3.194
  162   2HD2  LEU  23          3HD2      LEU  23  14.221  -3.474  -3.939
  163   3HD2  LEU  23          2HD2      LEU  23  13.754  -2.520  -2.529
  164    H    ASP  24           H        ASP  24  11.246  -6.132  -6.398
  165    HA   ASP  24           HA       ASP  24   8.690  -6.466  -4.982
  166   1HB   ASP  24          1HB       ASP  24   8.593  -8.639  -6.102
  167   2HB   ASP  24          2HB       ASP  24   9.026  -7.391  -7.270
  168    H    GLY  25           H        GLY  25  11.880  -6.700  -4.041
  169   1HA   GLY  25          1HA       GLY  25  11.523  -9.112  -2.371
  170   2HA   GLY  25          2HA       GLY  25  13.000  -8.156  -2.506
  171    H    LEU  26           H        LEU  26  10.033  -6.438  -1.994
  172    HA   LEU  26           HA       LEU  26  11.003  -5.460   0.560
  173   1HB   LEU  26          1HB       LEU  26   8.366  -4.930  -0.854
  174   2HB   LEU  26          2HB       LEU  26   9.011  -4.022   0.509
  175    HG   LEU  26           HG       LEU  26  10.408  -4.257  -2.172
  176   1HD1  LEU  26          3HD1      LEU  26   8.074  -2.825  -1.594
  177   2HD1  LEU  26          2HD1      LEU  26   9.362  -1.632  -1.442
  178   3HD1  LEU  26          1HD1      LEU  26   9.164  -2.530  -2.947
  179   1HD2  LEU  26          3HD2      LEU  26  10.865  -2.636   0.343
  180   2HD2  LEU  26          2HD2      LEU  26  11.993  -3.721  -0.467
  181   3HD2  LEU  26          1HD2      LEU  26  11.570  -2.178  -1.206
  182    H    ALA  27           H        ALA  27  10.160  -5.987   2.514
  183    HA   ALA  27           HA       ALA  27   8.596  -8.451   2.759
  184   1HB   ALA  27          1HB       ALA  27   9.724  -6.495   4.775
  185   2HB   ALA  27          3HB       ALA  27   8.747  -7.883   5.249
  186   3HB   ALA  27          2HB       ALA  27  10.287  -8.129   4.425
  187    H    PHE  28           H        PHE  28   7.690  -5.412   1.974
  188    HA   PHE  28           HA       PHE  28   5.016  -5.743   3.194
  189   1HB   PHE  28          1HB       PHE  28   5.044  -3.126   3.233
  190   2HB   PHE  28          2HB       PHE  28   5.866  -3.990   4.523
  191    HD1  PHE  28           HD1      PHE  28   8.354  -4.346   4.405
  192    HD2  PHE  28           HD2      PHE  28   6.260  -1.775   1.684
  193    HE1  PHE  28           HE1      PHE  28  10.506  -3.334   3.717
  194    HE2  PHE  28           HE2      PHE  28   8.417  -0.755   0.998
  195    HZ   PHE  28           HZ       PHE  28  10.536  -1.544   2.012
  196    H    GLY  29           H        GLY  29   3.373  -5.274   1.759
  197   1HA   GLY  29          1HA       GLY  29   4.076  -5.065  -1.050
  198   2HA   GLY  29          2HA       GLY  29   2.451  -5.054  -0.375
  199    H    ALA  30           H        ALA  30   4.309  -3.157  -2.222
  200    HA   ALA  30           HA       ALA  30   3.520  -0.671  -0.779
  201   1HB   ALA  30          1HB       ALA  30   5.888  -1.316  -2.184
  202   2HB   ALA  30          3HB       ALA  30   5.023  -0.161  -3.200
  203   3HB   ALA  30          2HB       ALA  30   5.434   0.261  -1.538
  204    H    ILE  31           H        ILE  31   1.588   0.155  -1.419
  205    HA   ILE  31           HA       ILE  31   0.806  -0.396  -4.248
  206    HB   ILE  31           HB       ILE  31  -1.448  -0.635  -3.607
  207   1HG1  ILE  31          1HG1      ILE  31  -2.073  -0.181  -1.129
  208   2HG1  ILE  31          2HG1      ILE  31  -0.646   0.856  -1.120
  209   1HG2  ILE  31          2HG2      ILE  31  -0.020  -2.487  -2.816
  210   2HG2  ILE  31          1HG2      ILE  31   0.161  -1.682  -1.266
  211   3HG2  ILE  31          3HG2      ILE  31  -1.422  -2.261  -1.776
  212   1HD1  ILE  31          3HD1      ILE  31  -2.229   1.341  -3.493
  213   2HD1  ILE  31          2HD1      ILE  31  -3.222   1.525  -2.046
  214   3HD1  ILE  31          1HD1      ILE  31  -1.748   2.477  -2.233
  215    H    GLN  32           H        GLN  32  -0.037   1.253  -5.473
  216    HA   GLN  32           HA       GLN  32   0.310   3.998  -4.356
  217   1HB   GLN  32          1HB       GLN  32   1.474   2.877  -6.570
  218   2HB   GLN  32          2HB       GLN  32   0.066   3.659  -7.276
  219   1HG   GLN  32          1HG       GLN  32   0.697   5.788  -6.204
  220   2HG   GLN  32          2HG       GLN  32   2.087   5.003  -5.455
  221   1HE2  GLN  32          2HE2      GLN  32   3.900   4.745  -8.572
  222   2HE2  GLN  32          1HE2      GLN  32   3.643   3.914  -7.116
  223    H    LEU  33           H        LEU  33  -1.362   5.615  -5.452
  224    HA   LEU  33           HA       LEU  33  -3.842   4.308  -6.318
  225   1HB   LEU  33          1HB       LEU  33  -3.583   5.637  -3.619
  226   2HB   LEU  33          2HB       LEU  33  -5.133   5.573  -4.452
  227    HG   LEU  33           HG       LEU  33  -3.414   3.202  -3.673
  228   1HD1  LEU  33          2HD1      LEU  33  -5.128   4.658  -2.110
  229   2HD1  LEU  33          1HD1      LEU  33  -6.212   3.431  -2.767
  230   3HD1  LEU  33          3HD1      LEU  33  -4.774   2.946  -1.868
  231   1HD2  LEU  33          1HD2      LEU  33  -5.524   3.520  -5.664
  232   2HD2  LEU  33          3HD2      LEU  33  -4.471   2.137  -5.368
  233   3HD2  LEU  33          2HD2      LEU  33  -5.957   2.328  -4.439
  234    H    ASP  34           H        ASP  34  -5.023   5.668  -7.589
  235    HA   ASP  34           HA       ASP  34  -4.086   8.456  -7.868
  236   1HB   ASP  34          1HB       ASP  34  -4.618   6.699  -9.817
  237   2HB   ASP  34          2HB       ASP  34  -6.258   7.298  -9.577
  238    H    GLY  35           H        GLY  35  -6.110   9.974  -8.328
  239   1HA   GLY  35          1HA       GLY  35  -7.467  10.489  -5.997
  240   2HA   GLY  35          2HA       GLY  35  -8.123  10.922  -7.569
  241    H    ASP  36           H        ASP  36  -8.990   8.615  -8.683
  242    HA   ASP  36           HA       ASP  36 -11.367   8.009  -7.228
  243   1HB   ASP  36          1HB       ASP  36 -10.203   7.289  -9.751
  244   2HB   ASP  36          2HB       ASP  36 -10.780   5.823  -8.957
  245    H    GLY  37           H        GLY  37  -8.197   6.784  -6.972
  246   1HA   GLY  37          1HA       GLY  37  -7.495   5.502  -5.008
  247   2HA   GLY  37          2HA       GLY  37  -9.099   4.755  -4.995
  248    H    ASN  38           H        ASN  38  -7.349   5.340  -7.955
  249    HA   ASN  38           HA       ASN  38  -7.472   2.430  -8.529
  250   1HB   ASN  38          1HB       ASN  38  -6.345   4.619 -10.296
  251   2HB   ASN  38          2HB       ASN  38  -6.883   3.012 -10.789
  252   1HD2  ASN  38          2HD2      ASN  38 -10.391   3.845 -10.424
  253   2HD2  ASN  38          1HD2      ASN  38  -9.310   2.556 -10.204
  254    H    ILE  39           H        ILE  39  -5.763   1.039  -8.383
  255    HA   ILE  39           HA       ILE  39  -3.329   1.882  -7.166
  256    HB   ILE  39           HB       ILE  39  -4.534  -0.584  -7.760
  257   1HG1  ILE  39          1HG1      ILE  39  -2.333  -1.371  -6.514
  258   2HG1  ILE  39          2HG1      ILE  39  -2.067   0.365  -6.344
  259   1HG2  ILE  39          1HG2      ILE  39  -3.102  -0.523  -9.885
  260   2HG2  ILE  39          3HG2      ILE  39  -1.711  -0.686  -8.819
  261   3HG2  ILE  39          2HG2      ILE  39  -2.944  -1.947  -8.863
  262   1HD1  ILE  39          1HD1      ILE  39  -4.716   0.140  -5.668
  263   2HD1  ILE  39          3HD1      ILE  39  -4.055  -1.365  -5.032
  264   3HD1  ILE  39          2HD1      ILE  39  -3.388   0.179  -4.509
  265    H    LEU  40           H        LEU  40  -1.449   2.650  -7.973
  266    HA   LEU  40           HA       LEU  40  -1.193   2.738 -10.959
  267   1HB   LEU  40          1HB       LEU  40   0.473   4.338  -8.999
  268   2HB   LEU  40          2HB       LEU  40   0.279   4.607 -10.728
  269    HG   LEU  40           HG       LEU  40  -2.312   4.798  -9.931
  270   1HD1  LEU  40          1HD1      LEU  40  -0.576   5.355  -7.601
  271   2HD1  LEU  40          3HD1      LEU  40  -1.938   6.423  -7.895
  272   3HD1  LEU  40          2HD1      LEU  40  -2.206   4.695  -7.675
  273   1HD2  LEU  40          1HD2      LEU  40  -0.139   6.891  -9.975
  274   2HD2  LEU  40          3HD2      LEU  40  -1.282   6.496 -11.259
  275   3HD2  LEU  40          2HD2      LEU  40  -1.846   7.294  -9.790
  276    H    GLN  41           H        GLN  41   0.053   1.411  -8.028
  277    HA   GLN  41           HA       GLN  41   1.980  -0.226  -9.531
  278   1HB   GLN  41          1HB       GLN  41   3.416   1.639  -9.155
  279   2HB   GLN  41          2HB       GLN  41   2.817   1.875  -7.524
  280   1HG   GLN  41          1HG       GLN  41   4.210  -0.687  -8.279
  281   2HG   GLN  41          2HG       GLN  41   5.146   0.745  -7.865
  282   1HE2  GLN  41          2HE2      GLN  41   3.405   0.697  -4.494
  283   2HE2  GLN  41          1HE2      GLN  41   3.348   1.779  -5.790
  284    H    TYR  42           H        TYR  42   2.835  -2.015  -8.062
  285    HA   TYR  42           HA       TYR  42   1.366  -2.278  -5.493
  286   1HB   TYR  42          1HB       TYR  42   0.041  -3.252  -7.504
  287   2HB   TYR  42          2HB       TYR  42   1.251  -4.535  -7.489
  288    HD1  TYR  42           HD1      TYR  42  -0.628  -2.594  -4.897
  289    HD2  TYR  42           HD2      TYR  42   0.525  -6.457  -6.367
  290    HE1  TYR  42           HE1      TYR  42  -1.823  -3.666  -3.003
  291    HE2  TYR  42           HE2      TYR  42  -0.681  -7.535  -4.483
  292    HH   TYR  42           HH       TYR  42  -1.635  -7.148  -2.449
  293    H    ASN  43           H        ASN  43   3.255  -4.327  -7.710
  294    HA   ASN  43           HA       ASN  43   5.458  -5.164  -7.414
  295   1HB   ASN  43          1HB       ASN  43   6.733  -4.795  -5.541
  296   2HB   ASN  43          2HB       ASN  43   5.541  -3.527  -5.297
  297   1HD2  ASN  43          2HD2      ASN  43   5.948  -5.687  -2.190
  298   2HD2  ASN  43          1HD2      ASN  43   7.097  -4.964  -3.206
  299    H    ALA  44           H        ALA  44   6.252  -7.293  -6.137
  300    HA   ALA  44           HA       ALA  44   3.919  -9.110  -6.333
  301   1HB   ALA  44          2HB       ALA  44   6.556  -9.266  -7.229
  302   2HB   ALA  44          1HB       ALA  44   6.477 -10.414  -5.894
  303   3HB   ALA  44          3HB       ALA  44   5.363 -10.563  -7.252
  304    H    ALA  45           H        ALA  45   5.933  -7.807  -3.821
  305    HA   ALA  45           HA       ALA  45   5.949  -9.935  -1.959
  306   1HB   ALA  45          2HB       ALA  45   6.823  -7.398  -1.862
  307   2HB   ALA  45          1HB       ALA  45   5.345  -7.211  -0.918
  308   3HB   ALA  45          3HB       ALA  45   6.579  -8.361  -0.404
  309    H    GLU  46           H        GLU  46   3.619  -7.272  -1.929
  310    HA   GLU  46           HA       GLU  46   1.789  -8.484  -0.135
  311   1HB   GLU  46          1HB       GLU  46   0.050  -7.034  -1.589
  312   2HB   GLU  46          2HB       GLU  46   1.108  -6.316  -0.403
  313   1HG   GLU  46          1HG       GLU  46   2.765  -5.940  -2.303
  314   2HG   GLU  46          2HG       GLU  46   1.463  -6.376  -3.401
  315    HE1  GLU  46           HE1      GLU  46   0.440  -4.045  -0.637
  316    H    GLY  47           H        GLY  47   1.553  -8.283  -3.664
  317   1HA   GLY  47          1HA       GLY  47  -0.708  -9.972  -3.937
  318   2HA   GLY  47          2HA       GLY  47   0.538  -9.783  -5.186
  319    H    ASP  48           H        ASP  48   2.500 -10.804  -2.933
  320    HA   ASP  48           HA       ASP  48   2.475 -13.562  -3.801
  321   1HB   ASP  48          1HB       ASP  48   4.319 -11.874  -2.537
  322   2HB   ASP  48          2HB       ASP  48   3.943 -13.096  -1.326
  323    H    ILE  49           H        ILE  49   1.589 -11.890  -0.785
  324    HA   ILE  49           HA       ILE  49   0.657 -14.393   0.407
  325    HB   ILE  49           HB       ILE  49   1.403 -11.778   1.297
  326   1HG1  ILE  49          1HG1      ILE  49   1.165 -13.313   3.532
  327   2HG1  ILE  49          2HG1      ILE  49   1.250 -14.548   2.273
  328   1HG2  ILE  49          1HG2      ILE  49  -1.288 -12.748   2.221
  329   2HG2  ILE  49          3HG2      ILE  49  -0.252 -11.791   3.279
  330   3HG2  ILE  49          2HG2      ILE  49  -0.802 -11.121   1.746
  331   1HD1  ILE  49          1HD1      ILE  49   3.247 -13.095   1.374
  332   2HD1  ILE  49          3HD1      ILE  49   3.284 -12.467   3.020
  333   3HD1  ILE  49          2HD1      ILE  49   3.514 -14.191   2.730
  334    H    THR  50           H        THR  50  -0.900 -11.283  -0.429
  335    HA   THR  50           HA       THR  50  -3.580 -12.339  -0.116
  336    HB   THR  50           HB       THR  50  -4.319 -10.195  -0.962
  337    HG1  THR  50           HG1      THR  50  -1.685 -10.098  -1.969
  338   1HG2  THR  50          3HG2      THR  50  -2.479 -10.488   1.138
  339   2HG2  THR  50          2HG2      THR  50  -1.968  -9.046   0.263
  340   3HG2  THR  50          1HG2      THR  50  -3.609  -9.162   0.897
  341    H    GLY  51           H        GLY  51  -1.288 -12.368  -2.707
  342   1HA   GLY  51          1HA       GLY  51  -1.491 -13.621  -4.725
  343   2HA   GLY  51          2HA       GLY  51  -3.201 -13.827  -4.373
  344    H    ARG  52           H        ARG  52  -2.837 -10.653  -3.857
  345    HA   ARG  52           HA       ARG  52  -4.216  -9.791  -6.161
  346   1HB   ARG  52          1HB       ARG  52  -2.549  -8.377  -4.095
  347   2HB   ARG  52          2HB       ARG  52  -3.197  -7.490  -5.469
  348   1HG   ARG  52          1HG       ARG  52  -5.371  -7.672  -4.725
  349   2HG   ARG  52          2HG       ARG  52  -5.091  -9.257  -4.013
  350   1HD   ARG  52          1HD       ARG  52  -5.070  -8.214  -2.033
  351   2HD   ARG  52          2HD       ARG  52  -3.485  -7.650  -2.509
  352    HE   ARG  52           HE       ARG  52  -5.822  -5.988  -2.178
  353   1HH1  ARG  52          2HH1      ARG  52  -4.415  -6.094  -5.146
  354   2HH1  ARG  52          1HH1      ARG  52  -3.642  -4.554  -5.058
  355   1HH2  ARG  52          1HH2      ARG  52  -4.250  -4.125  -1.687
  356   2HH2  ARG  52          2HH2      ARG  52  -3.606  -3.416  -3.125
  357    H    ASP  53           H        ASP  53  -3.185 -10.516  -8.076
  358    HA   ASP  53           HA       ASP  53  -0.405 -10.170  -8.661
  359   1HB   ASP  53          1HB       ASP  53  -2.865 -10.432 -10.402
  360   2HB   ASP  53          2HB       ASP  53  -1.260 -10.213 -11.100
  361    HA   PRO  54           HA       PRO  54  -0.282  -5.839  -9.452
  362   1HB   PRO  54          1HB       PRO  54   1.710  -5.697 -11.338
  363   2HB   PRO  54          2HB       PRO  54   2.006  -6.022  -9.621
  364   1HG   PRO  54          1HG       PRO  54   2.099  -7.910 -11.927
  365   2HG   PRO  54          2HG       PRO  54   2.945  -7.994 -10.374
  366   1HD   PRO  54          1HD       PRO  54   0.625  -9.463 -11.092
  367   2HD   PRO  54          2HD       PRO  54   1.304  -9.308  -9.457
  368    H    LYS  55           H        LYS  55   0.277  -7.369 -12.654
  369    HA   LYS  55           HA       LYS  55  -0.974  -5.357 -14.184
  370   1HB   LYS  55          1HB       LYS  55  -0.396  -8.265 -14.634
  371   2HB   LYS  55          2HB       LYS  55  -1.416  -7.410 -15.792
  372   1HG   LYS  55          1HG       LYS  55   0.315  -6.151 -16.584
  373   2HG   LYS  55          2HG       LYS  55   1.053  -5.985 -14.990
  374   1HD   LYS  55          1HD       LYS  55   2.459  -7.702 -15.382
  375   2HD   LYS  55          2HD       LYS  55   1.129  -8.746 -15.886
  376   1HE   LYS  55          1HE       LYS  55   1.258  -8.017 -18.134
  377   2HE   LYS  55          2HE       LYS  55   2.218  -6.602 -17.708
  378   1HZ   LYS  55          2HZ       LYS  55   3.950  -8.245 -16.928
  379   2HZ   LYS  55          1HZ       LYS  55   3.059  -9.437 -17.749
  380   3HZ   LYS  55          3HZ       LYS  55   3.722  -8.132 -18.607
  381    H    GLN  56           H        GLN  56  -2.425  -7.795 -12.186
  382    HA   GLN  56           HA       GLN  56  -5.026  -7.550 -13.559
  383   1HB   GLN  56          1HB       GLN  56  -4.125  -9.132 -11.139
  384   2HB   GLN  56          2HB       GLN  56  -5.787  -9.125 -11.731
  385   1HG   GLN  56          1HG       GLN  56  -4.935  -9.870 -13.968
  386   2HG   GLN  56          2HG       GLN  56  -3.326 -10.017 -13.259
  387   1HE2  GLN  56          2HE2      GLN  56  -4.044 -13.274 -12.165
  388   2HE2  GLN  56          1HE2      GLN  56  -2.920 -12.184 -12.817
  389    H    VAL  57           H        VAL  57  -3.668  -6.787 -10.340
  390    HA   VAL  57           HA       VAL  57  -6.085  -5.437  -9.481
  391    HB   VAL  57           HB       VAL  57  -4.784  -4.706  -7.563
  392   1HG1  VAL  57          3HG1      VAL  57  -4.815  -7.461  -8.546
  393   2HG1  VAL  57          2HG1      VAL  57  -3.547  -7.172  -7.356
  394   3HG1  VAL  57          1HG1      VAL  57  -5.229  -6.832  -6.952
  395   1HG2  VAL  57          3HG2      VAL  57  -2.529  -5.240  -9.427
  396   2HG2  VAL  57          2HG2      VAL  57  -2.673  -4.028  -8.153
  397   3HG2  VAL  57          1HG2      VAL  57  -2.263  -5.694  -7.744
  398    H    ILE  58           H        ILE  58  -3.765  -4.588 -11.746
  399    HA   ILE  58           HA       ILE  58  -3.533  -1.791 -11.132
  400    HB   ILE  58           HB       ILE  58  -2.722  -3.617 -13.305
  401   1HG1  ILE  58          1HG1      ILE  58  -1.433  -1.028 -12.493
  402   2HG1  ILE  58          2HG1      ILE  58  -1.425  -2.403 -11.389
  403   1HG2  ILE  58          2HG2      ILE  58  -3.617  -0.804 -13.924
  404   2HG2  ILE  58          1HG2      ILE  58  -2.234  -1.492 -14.775
  405   3HG2  ILE  58          3HG2      ILE  58  -3.816  -2.267 -14.888
  406   1HD1  ILE  58          2HD1      ILE  58  -0.505  -2.618 -14.265
  407   2HD1  ILE  58          1HD1      ILE  58   0.595  -2.229 -12.941
  408   3HD1  ILE  58          3HD1      ILE  58  -0.249  -3.778 -12.959
  409    H    GLY  59           H        GLY  59  -5.044  -0.281 -11.362
  410   1HA   GLY  59          1HA       GLY  59  -6.822   0.874 -12.519
  411   2HA   GLY  59          2HA       GLY  59  -7.151  -0.602 -13.429
  412    H    LYS  60           H        LYS  60  -6.889  -2.027 -10.658
  413    HA   LYS  60           HA       LYS  60  -9.751  -1.975 -10.090
  414   1HB   LYS  60          1HB       LYS  60  -7.533  -3.334  -8.519
  415   2HB   LYS  60          2HB       LYS  60  -9.254  -3.718  -8.467
  416   1HG   LYS  60          1HG       LYS  60  -7.500  -3.965 -10.930
  417   2HG   LYS  60          2HG       LYS  60  -7.981  -5.309  -9.894
  418   1HD   LYS  60          1HD       LYS  60  -9.953  -5.476 -10.961
  419   2HD   LYS  60          2HD       LYS  60 -10.317  -3.787 -10.605
  420   1HE   LYS  60          1HE       LYS  60  -8.662  -3.286 -12.573
  421   2HE   LYS  60          2HE       LYS  60  -8.980  -4.960 -13.029
  422   1HZ   LYS  60          3HZ       LYS  60 -11.449  -4.139 -12.601
  423   2HZ   LYS  60          2HZ       LYS  60 -10.761  -2.655 -13.059
  424   3HZ   LYS  60          1HZ       LYS  60 -10.690  -3.988 -14.110
  425    H    ASN  61           H        ASN  61 -10.744  -0.951  -8.362
  426    HA   ASN  61           HA       ASN  61  -9.243   1.148  -7.005
  427   1HB   ASN  61          1HB       ASN  61 -12.018   0.462  -7.422
  428   2HB   ASN  61          2HB       ASN  61 -11.735   0.750  -5.704
  429   1HD2  ASN  61          2HD2      ASN  61 -10.894   3.840  -8.299
  430   2HD2  ASN  61          1HD2      ASN  61 -10.662   2.241  -8.821
  431    H    PHE  62           H        PHE  62  -7.778   0.399  -5.545
  432    HA   PHE  62           HA       PHE  62  -7.923  -2.000  -4.043
  433   1HB   PHE  62          1HB       PHE  62  -5.821  -0.951  -4.205
  434   2HB   PHE  62          2HB       PHE  62  -6.446   0.603  -3.668
  435    HD1  PHE  62           HD1      PHE  62  -5.949  -2.915  -2.518
  436    HD2  PHE  62           HD2      PHE  62  -6.264   1.215  -1.390
  437    HE1  PHE  62           HE1      PHE  62  -5.310  -3.496  -0.201
  438    HE2  PHE  62           HE2      PHE  62  -5.575   0.636   0.927
  439    HZ   PHE  62           HZ       PHE  62  -5.124  -1.728   1.522
  440    H    PHE  63           H        PHE  63  -9.560   1.008  -3.543
  441    HA   PHE  63           HA       PHE  63  -9.955   0.505  -0.686
  442   1HB   PHE  63          1HB       PHE  63 -10.863   2.634  -2.608
  443   2HB   PHE  63          2HB       PHE  63 -11.570   2.522  -0.995
  444    HD1  PHE  63           HD1      PHE  63  -9.539   1.862   0.824
  445    HD2  PHE  63           HD2      PHE  63  -9.187   4.233  -2.734
  446    HE1  PHE  63           HE1      PHE  63  -7.562   3.005   1.783
  447    HE2  PHE  63           HE2      PHE  63  -7.207   5.379  -1.776
  448    HZ   PHE  63           HZ       PHE  63  -6.398   4.764   0.490
  449    H    LYS  64           H        LYS  64 -12.099   0.563  -3.572
  450    HA   LYS  64           HA       LYS  64 -13.977  -1.159  -2.002
  451   1HB   LYS  64          1HB       LYS  64 -15.852  -0.043  -3.150
  452   2HB   LYS  64          2HB       LYS  64 -14.891   1.123  -2.239
  453   1HG   LYS  64          1HG       LYS  64 -14.309   2.243  -4.110
  454   2HG   LYS  64          2HG       LYS  64 -13.876   0.754  -4.950
  455   1HD   LYS  64          1HD       LYS  64 -15.694   1.291  -6.234
  456   2HD   LYS  64          2HD       LYS  64 -16.571   0.496  -4.926
  457   1HE   LYS  64          1HE       LYS  64 -16.310   3.014  -3.909
  458   2HE   LYS  64          2HE       LYS  64 -16.433   3.364  -5.633
  459   1HZ   LYS  64          2HZ       LYS  64 -18.412   1.840  -5.637
  460   2HZ   LYS  64          1HZ       LYS  64 -18.355   1.880  -3.939
  461   3HZ   LYS  64          3HZ       LYS  64 -18.620   3.311  -4.811
  462    H    ASP  65           H        ASP  65 -11.910  -2.058  -3.786
  463    HA   ASP  65           HA       ASP  65 -13.620  -3.542  -5.687
  464   1HB   ASP  65          1HB       ASP  65 -12.220  -1.320  -6.576
  465   2HB   ASP  65          2HB       ASP  65 -11.164  -2.665  -7.006
  466    H    VAL  66           H        VAL  66 -10.475  -3.166  -4.067
  467    HA   VAL  66           HA       VAL  66  -9.856  -5.992  -4.800
  468    HB   VAL  66           HB       VAL  66  -7.986  -4.007  -3.515
  469   1HG1  VAL  66          2HG1      VAL  66  -7.704  -6.557  -5.093
  470   2HG1  VAL  66          1HG1      VAL  66  -6.346  -5.490  -4.760
  471   3HG1  VAL  66          3HG1      VAL  66  -7.212  -6.248  -3.430
  472   1HG2  VAL  66          1HG2      VAL  66  -8.939  -3.101  -5.677
  473   2HG2  VAL  66          3HG2      VAL  66  -7.188  -3.310  -5.653
  474   3HG2  VAL  66          2HG2      VAL  66  -8.205  -4.486  -6.486
  475    H    ALA  67           H        ALA  67  -9.358  -3.676  -2.207
  476    HA   ALA  67           HA       ALA  67  -9.582  -5.847  -0.206
  477   1HB   ALA  67          2HB       ALA  67  -7.881  -3.612  -0.621
  478   2HB   ALA  67          1HB       ALA  67  -8.777  -3.328   0.872
  479   3HB   ALA  67          3HB       ALA  67  -7.816  -4.795   0.683
  480    HA   PRO  68           HA       PRO  68 -13.598  -3.811   0.442
  481   1HB   PRO  68          1HB       PRO  68 -14.735  -5.946   1.748
  482   2HB   PRO  68          2HB       PRO  68 -14.673  -5.791  -0.017
  483   1HG   PRO  68          1HG       PRO  68 -13.054  -7.544   1.775
  484   2HG   PRO  68          2HG       PRO  68 -13.504  -7.784   0.078
  485   1HD   PRO  68          1HD       PRO  68 -10.984  -6.908   1.003
  486   2HD   PRO  68          2HD       PRO  68 -11.570  -6.804  -0.671
  487    H    CYS  69           H        CYS  69 -11.099  -4.476   2.522
  488    HA   CYS  69           HA       CYS  69 -12.696  -3.772   4.935
  489   1HB   CYS  69          1HB       CYS  69 -11.013  -4.778   6.263
  490   2HB   CYS  69          2HB       CYS  69 -11.175  -5.861   4.885
  491    H    THR  70           H        THR  70 -10.422  -2.517   2.673
  492    HA   THR  70           HA       THR  70  -9.337  -0.506   4.508
  493    HB   THR  70           HB       THR  70  -8.292   0.394   2.379
  494    HG1  THR  70           HG1      THR  70  -9.959  -0.505   1.019
  495   1HG2  THR  70          3HG2      THR  70  -7.589  -1.725   3.956
  496   2HG2  THR  70          2HG2      THR  70  -7.612  -2.478   2.361
  497   3HG2  THR  70          1HG2      THR  70  -6.583  -1.076   2.660
  498    H    ASP  71           H        ASP  71 -12.328  -0.810   3.272
  499    HA   ASP  71           HA       ASP  71 -12.625   2.038   2.490
  500   1HB   ASP  71          1HB       ASP  71 -13.703  -0.024   1.259
  501   2HB   ASP  71          2HB       ASP  71 -14.886   0.058   2.563
  502    H    SER  72           H        SER  72 -11.943   1.894   5.067
  503    HA   SER  72           HA       SER  72 -14.511   2.419   6.497
  504   1HB   SER  72          1HB       SER  72 -13.898   1.125   8.307
  505   2HB   SER  72          2HB       SER  72 -13.048   0.240   7.049
  506    HG   SER  72           HG       SER  72 -11.185   1.019   7.737
  507    HA   PRO  73           HA       PRO  73 -12.644   6.166   7.840
  508   1HB   PRO  73          1HB       PRO  73 -13.065   6.292  10.552
  509   2HB   PRO  73          2HB       PRO  73 -14.341   6.506   9.343
  510   1HG   PRO  73          1HG       PRO  73 -13.816   4.176  11.119
  511   2HG   PRO  73          2HG       PRO  73 -15.333   4.692  10.365
  512   1HD   PRO  73          1HD       PRO  73 -13.651   2.583   9.488
  513   2HD   PRO  73          2HD       PRO  73 -15.020   3.276   8.591
  514    H    GLU  74           H        GLU  74 -11.081   3.375   8.738
  515    HA   GLU  74           HA       GLU  74  -8.937   4.844  10.165
  516   1HB   GLU  74          1HB       GLU  74  -9.366   1.857  10.006
  517   2HB   GLU  74          2HB       GLU  74  -8.174   2.695  10.999
  518   1HG   GLU  74          1HG       GLU  74  -9.719   2.762  12.642
  519   2HG   GLU  74          2HG       GLU  74 -10.619   3.906  11.645
  520    H    PHE  75           H        PHE  75  -9.744   2.936   7.375
  521    HA   PHE  75           HA       PHE  75  -6.908   3.022   6.457
  522   1HB   PHE  75          1HB       PHE  75  -8.654   0.931   6.375
  523   2HB   PHE  75          2HB       PHE  75  -8.972   1.665   4.801
  524    HD1  PHE  75           HD2      PHE  75  -6.831   2.360   3.430
  525    HD2  PHE  75           HD1      PHE  75  -6.845  -0.552   6.586
  526    HE1  PHE  75           HE2      PHE  75  -4.737   1.386   2.536
  527    HE2  PHE  75           HE1      PHE  75  -4.737  -1.521   5.694
  528    HZ   PHE  75           HZ       PHE  75  -3.688  -0.554   3.669
  529    H    TYR  76           H        TYR  76 -10.090   3.256   4.821
  530    HA   TYR  76           HA       TYR  76  -9.085   5.196   2.921
  531   1HB   TYR  76          1HB       TYR  76 -11.133   3.629   2.651
  532   2HB   TYR  76          2HB       TYR  76 -12.006   4.822   3.613
  533    HD1  TYR  76           HD2      TYR  76  -9.342   5.205   1.005
  534    HD2  TYR  76           HD1      TYR  76 -13.390   6.049   2.164
  535    HE1  TYR  76           HE2      TYR  76  -9.618   6.618  -1.013
  536    HE2  TYR  76           HE1      TYR  76 -13.668   7.466   0.146
  537    HH   TYR  76           HH       TYR  76 -10.944   8.170  -2.000
  538    H    GLY  77           H        GLY  77 -10.209   5.349   6.170
  539   1HA   GLY  77          1HA       GLY  77 -11.280   7.997   6.243
  540   2HA   GLY  77          2HA       GLY  77 -10.599   7.141   7.612
  541    H    LYS  78           H        LYS  78  -8.070   6.904   7.357
  542    HA   LYS  78           HA       LYS  78  -7.002   9.542   7.543
  543   1HB   LYS  78          1HB       LYS  78  -5.269   7.165   6.923
  544   2HB   LYS  78          2HB       LYS  78  -4.919   8.545   7.959
  545   1HG   LYS  78          1HG       LYS  78  -6.618   6.136   8.530
  546   2HG   LYS  78          2HG       LYS  78  -5.370   6.867   9.529
  547   1HD   LYS  78          1HD       LYS  78  -7.125   8.922   9.444
  548   2HD   LYS  78          2HD       LYS  78  -8.251   7.580   9.253
  549   1HE   LYS  78          1HE       LYS  78  -7.750   6.676  11.341
  550   2HE   LYS  78          2HE       LYS  78  -6.148   7.409  11.390
  551   1HZ   LYS  78          3HZ       LYS  78  -7.773   9.557  11.285
  552   2HZ   LYS  78          2HZ       LYS  78  -8.688   8.478  12.226
  553   3HZ   LYS  78          1HZ       LYS  78  -7.116   8.908  12.708
  554    H    PHE  79           H        PHE  79  -7.658   7.593   4.832
  555    HA   PHE  79           HA       PHE  79  -5.723   8.811   3.067
  556   1HB   PHE  79          1HB       PHE  79  -6.445   6.551   2.671
  557   2HB   PHE  79          2HB       PHE  79  -8.128   7.057   2.654
  558    HD1  PHE  79           HD1      PHE  79  -8.932   8.596   0.810
  559    HD2  PHE  79           HD2      PHE  79  -5.109   6.629   0.675
  560    HE1  PHE  79           HE1      PHE  79  -8.830   8.943  -1.645
  561    HE2  PHE  79           HE2      PHE  79  -5.038   6.958  -1.759
  562    HZ   PHE  79           HZ       PHE  79  -6.870   8.118  -2.924
  563    H    LYS  80           H        LYS  80  -9.194   9.191   3.715
  564    HA   LYS  80           HA       LYS  80  -9.531  11.108   1.604
  565   1HB   LYS  80          1HB       LYS  80 -11.212   9.976   3.777
  566   2HB   LYS  80          2HB       LYS  80 -11.675  11.564   3.165
  567   1HG   LYS  80          1HG       LYS  80 -11.178  10.224   0.831
  568   2HG   LYS  80          2HG       LYS  80 -11.813   8.926   1.845
  569   1HD   LYS  80          1HD       LYS  80 -13.882   9.705   1.418
  570   2HD   LYS  80          2HD       LYS  80 -13.470  11.141   2.356
  571   1HE   LYS  80          1HE       LYS  80 -12.915  12.384   0.455
  572   2HE   LYS  80          2HE       LYS  80 -12.615  10.944  -0.519
  573   1HZ   LYS  80          1HZ       LYS  80 -15.305  11.547   0.539
  574   2HZ   LYS  80          3HZ       LYS  80 -14.765  12.230  -0.916
  575   3HZ   LYS  80          2HZ       LYS  80 -14.875  10.542  -0.762
  576    H    GLU  81           H        GLU  81  -8.173  11.208   4.694
  577    HA   GLU  81           HA       GLU  81  -8.771  14.122   4.977
  578   1HB   GLU  81          1HB       GLU  81  -7.822  13.962   7.212
  579   2HB   GLU  81          2HB       GLU  81  -8.989  12.659   7.003
  580   1HG   GLU  81          1HG       GLU  81  -7.161  11.103   6.473
  581   2HG   GLU  81          2HG       GLU  81  -5.987  12.398   6.688
  582    H    GLY  82           H        GLY  82  -6.113  11.832   4.610
  583   1HA   GLY  82          1HA       GLY  82  -3.995  13.776   4.570
  584   2HA   GLY  82          2HA       GLY  82  -3.914  12.173   3.824
  585    H    VAL  83           H        VAL  83  -6.129  12.414   2.101
  586    HA   VAL  83           HA       VAL  83  -4.974  13.651  -0.197
  587    HB   VAL  83           HB       VAL  83  -7.875  12.968   0.393
  588   1HG1  VAL  83          1HG1      VAL  83  -6.453  13.943  -2.055
  589   2HG1  VAL  83          3HG1      VAL  83  -7.753  12.765  -2.248
  590   3HG1  VAL  83          2HG1      VAL  83  -8.076  14.319  -1.477
  591   1HG2  VAL  83          2HG2      VAL  83  -5.745  11.258   0.230
  592   2HG2  VAL  83          1HG2      VAL  83  -7.401  10.825  -0.194
  593   3HG2  VAL  83          3HG2      VAL  83  -6.270  11.316  -1.452
  594    H    ALA  84           H        ALA  84  -7.738  14.729   1.808
  595    HA   ALA  84           HA       ALA  84  -7.792  17.351   0.536
  596   1HB   ALA  84          2HB       ALA  84  -9.565  15.834   2.060
  597   2HB   ALA  84          1HB       ALA  84  -9.136  17.177   3.118
  598   3HB   ALA  84          3HB       ALA  84  -9.816  17.495   1.524
  599    H    SER  85           H        SER  85  -5.692  16.041   2.771
  600    HA   SER  85           HA       SER  85  -5.444  18.487   4.408
  601   1HB   SER  85          1HB       SER  85  -5.164  16.377   5.576
  602   2HB   SER  85          2HB       SER  85  -3.942  15.853   4.422
  603    HG   SER  85           HG       SER  85  -2.707  16.690   5.951
  604    H    GLY  86           H        GLY  86  -3.747  16.784   1.821
  605   1HA   GLY  86          1HA       GLY  86  -2.360  17.929   0.209
  606   2HA   GLY  86          2HA       GLY  86  -2.142  19.243   1.371
  607    H    ASN  87           H        ASN  87  -1.822  16.032   2.600
  608    HA   ASN  87           HA       ASN  87   0.953  15.585   2.058
  609   1HB   ASN  87          1HB       ASN  87   1.865  16.171   4.299
  610   2HB   ASN  87          2HB       ASN  87   1.295  17.594   3.426
  611   1HD2  ASN  87          2HD2      ASN  87  -1.375  18.250   5.686
  612   2HD2  ASN  87          1HD2      ASN  87  -0.720  18.603   4.160
  613    H    LEU  88           H        LEU  88  -0.751  13.691   1.850
  614    HA   LEU  88           HA       LEU  88  -1.835  12.352   4.057
  615   1HB   LEU  88          1HB       LEU  88  -1.897  11.794   1.491
  616   2HB   LEU  88          2HB       LEU  88  -0.504  10.782   1.871
  617    HG   LEU  88           HG       LEU  88  -2.686  10.479   3.793
  618   1HD1  LEU  88          3HD1      LEU  88  -3.131   9.864   0.870
  619   2HD1  LEU  88          2HD1      LEU  88  -4.032   9.069   2.158
  620   3HD1  LEU  88          1HD1      LEU  88  -4.162  10.815   1.940
  621   1HD2  LEU  88          3HD2      LEU  88  -0.776   8.807   2.219
  622   2HD2  LEU  88          2HD2      LEU  88  -1.100   8.806   3.953
  623   3HD2  LEU  88          1HD2      LEU  88  -2.229   8.025   2.845
  624    H    ASN  89           H        ASN  89  -0.903  11.494   5.838
  625    HA   ASN  89           HA       ASN  89   1.619  10.028   5.678
  626   1HB   ASN  89          1HB       ASN  89   2.300  12.477   5.846
  627   2HB   ASN  89          2HB       ASN  89   1.546  12.493   7.440
  628   1HD2  ASN  89          2HD2      ASN  89   4.438  11.168   8.924
  629   2HD2  ASN  89          1HD2      ASN  89   3.082  12.182   9.049
  630    H    THR  90           H        THR  90   0.281   8.340   6.556
  631    HA   THR  90           HA       THR  90  -0.056   8.583   9.487
  632    HB   THR  90           HB       THR  90  -2.187   9.447   8.575
  633    HG1  THR  90           HG1      THR  90  -3.512   7.783   9.608
  634   1HG2  THR  90          1HG2      THR  90  -1.796   7.339   6.708
  635   2HG2  THR  90          3HG2      THR  90  -3.280   6.986   7.592
  636   3HG2  THR  90          2HG2      THR  90  -3.102   8.523   6.746
  637    H    MET  91           H        MET  91  -0.966   6.434  10.369
  638    HA   MET  91           HA       MET  91  -0.504   4.056   8.716
  639   1HB   MET  91          1HB       MET  91   1.254   3.182  10.318
  640   2HB   MET  91          2HB       MET  91   1.798   4.512   9.296
  641   1HG   MET  91          2HG       MET  91   2.083   5.897  11.064
  642   2HG   MET  91          1HG       MET  91   0.552   5.413  11.794
  643   1HE   MET  91          3HE       MET  91   2.173   6.199  13.512
  644   2HE   MET  91          2HE       MET  91   2.669   4.993  14.697
  645   3HE   MET  91          1HE       MET  91   3.843   5.611  13.538
  646    H    PHE  92           H        PHE  92  -0.737   2.036  10.315
  647    HA   PHE  92           HA       PHE  92  -1.942   2.372  12.873
  648   1HB   PHE  92          1HB       PHE  92  -4.339   1.874  12.234
  649   2HB   PHE  92          2HB       PHE  92  -3.782   3.492  11.807
  650    HD1  PHE  92           HD1      PHE  92  -3.966   0.024  10.359
  651    HD2  PHE  92           HD2      PHE  92  -4.070   4.250   9.627
  652    HE1  PHE  92           HE1      PHE  92  -4.503  -0.403   7.985
  653    HE2  PHE  92           HE2      PHE  92  -4.608   3.817   7.249
  654    HZ   PHE  92           HZ       PHE  92  -4.788   1.486   6.425
  655    H    GLU  93           H        GLU  93  -2.657   0.357  13.773
  656    HA   GLU  93           HA       GLU  93  -1.509  -1.975  12.425
  657   1HB   GLU  93          1HB       GLU  93  -2.431  -3.184  14.490
  658   2HB   GLU  93          2HB       GLU  93  -1.209  -1.950  14.793
  659   1HG   GLU  93          1HG       GLU  93  -2.781  -0.414  15.620
  660   2HG   GLU  93          2HG       GLU  93  -4.135  -1.232  14.842
  661    H    TYR  94           H        TYR  94  -2.659  -3.068  10.905
  662    HA   TYR  94           HA       TYR  94  -5.632  -3.135  11.220
  663   1HB   TYR  94          1HB       TYR  94  -4.207  -2.041   9.127
  664   2HB   TYR  94          2HB       TYR  94  -4.583  -3.656   8.528
  665    HD1  TYR  94           HD1      TYR  94  -6.285  -0.926  10.472
  666    HD2  TYR  94           HD2      TYR  94  -6.593  -3.904   7.391
  667    HE1  TYR  94           HE1      TYR  94  -8.620  -0.223  10.027
  668    HE2  TYR  94           HE2      TYR  94  -8.928  -3.201   6.944
  669    HH   TYR  94           HH       TYR  94 -10.690  -2.018   7.819
  670    H    THR  95           H        THR  95  -6.538  -5.037   9.855
  671    HA   THR  95           HA       THR  95  -4.819  -7.441   9.883
  672    HB   THR  95           HB       THR  95  -7.391  -7.187  11.481
  673    HG1  THR  95           HG1      THR  95  -5.462  -6.463  12.491
  674   1HG2  THR  95          3HG2      THR  95  -5.759  -9.579  10.637
  675   2HG2  THR  95          2HG2      THR  95  -6.775  -9.620  12.077
  676   3HG2  THR  95          1HG2      THR  95  -7.499  -9.335  10.495
  677    H    PHE  96           H        PHE  96  -5.117  -8.057   7.784
  678    HA   PHE  96           HA       PHE  96  -7.629  -7.466   6.406
  679   1HB   PHE  96          1HB       PHE  96  -5.256  -9.101   5.463
  680   2HB   PHE  96          2HB       PHE  96  -6.576  -8.517   4.453
  681    HD1  PHE  96           HD1      PHE  96  -6.848  -5.773   5.898
  682    HD2  PHE  96           HD2      PHE  96  -3.484  -7.931   4.318
  683    HE1  PHE  96           HE1      PHE  96  -5.638  -3.637   5.555
  684    HE2  PHE  96           HE2      PHE  96  -2.277  -5.794   3.977
  685    HZ   PHE  96           HZ       PHE  96  -3.352  -3.648   4.595
  686    H    ASP  97           H        ASP  97  -9.374  -8.716   6.529
  687    HA   ASP  97           HA       ASP  97  -9.022 -11.668   6.788
  688   1HB   ASP  97          1HB       ASP  97 -11.133 -11.620   8.212
  689   2HB   ASP  97          2HB       ASP  97  -9.700 -10.943   8.984
  690    H    TYR  98           H        TYR  98  -9.351 -10.265   4.406
  691    HA   TYR  98           HA       TYR  98 -12.157 -10.190   3.625
  692   1HB   TYR  98          1HB       TYR  98 -11.253  -9.766   1.350
  693   2HB   TYR  98          2HB       TYR  98 -10.570  -8.682   2.551
  694    HD1  TYR  98           HD2      TYR  98  -9.073 -11.832   3.157
  695    HD2  TYR  98           HD1      TYR  98  -9.006  -8.568   0.356
  696    HE1  TYR  98           HE2      TYR  98  -6.808 -12.489   2.440
  697    HE2  TYR  98           HE1      TYR  98  -6.722  -9.237  -0.359
  698    HH   TYR  98           HH       TYR  98  -4.759 -11.155   1.355
  699    H    GLN  99           H        GLN  99 -12.672 -12.418   4.257
  700    HA   GLN  99           HA       GLN  99 -13.031 -14.683   3.854
  701   1HB   GLN  99          1HB       GLN  99 -13.559 -15.296   1.601
  702   2HB   GLN  99          2HB       GLN  99 -14.072 -13.627   1.804
  703   1HG   GLN  99          1HG       GLN  99 -12.368 -12.796   0.450
  704   2HG   GLN  99          2HG       GLN  99 -11.321 -14.187   0.716
  705   1HE2  GLN  99          2HE2      GLN  99 -12.920 -16.188  -1.797
  706   2HE2  GLN  99          1HE2      GLN  99 -12.009 -16.270  -0.367
  707    H    MET 100           H        MET 100 -10.400 -13.998   4.578
  708    HA   MET 100           HA       MET 100  -8.994 -16.347   3.502
  709   1HB   MET 100          1HB       MET 100  -8.510 -13.817   2.380
  710   2HB   MET 100          2HB       MET 100  -7.165 -14.094   3.487
  711   1HG   MET 100          2HG       MET 100  -6.329 -15.815   2.247
  712   2HG   MET 100          1HG       MET 100  -7.931 -16.427   1.835
  713   1HE   MET 100          1HE       MET 100  -5.328 -13.837   1.471
  714   2HE   MET 100          3HE       MET 100  -4.817 -14.934   0.180
  715   3HE   MET 100          2HE       MET 100  -5.356 -13.303  -0.208
  716    H    THR 101           H        THR 101  -6.517 -15.937   4.576
  717    HA   THR 101           HA       THR 101  -6.968 -16.290   7.400
  718    HB   THR 101           HB       THR 101  -5.067 -17.382   6.407
  719    HG1  THR 101           HG1      THR 101  -4.079 -16.944   8.186
  720   1HG2  THR 101          3HG2      THR 101  -4.515 -14.639   5.326
  721   2HG2  THR 101          2HG2      THR 101  -3.178 -15.767   5.548
  722   3HG2  THR 101          1HG2      THR 101  -4.520 -16.190   4.486
  723    HA   PRO 102           HA       PRO 102  -6.860 -12.066   8.661
  724   1HB   PRO 102          1HB       PRO 102  -6.001 -12.384  11.257
  725   2HB   PRO 102          2HB       PRO 102  -7.654 -12.731  10.717
  726   1HG   PRO 102          1HG       PRO 102  -5.450 -14.637  11.376
  727   2HG   PRO 102          2HG       PRO 102  -7.204 -14.864  11.494
  728   1HD   PRO 102          1HD       PRO 102  -5.571 -15.873   9.439
  729   2HD   PRO 102          2HD       PRO 102  -7.339 -15.723   9.367
  730    H    THR 103           H        THR 103  -5.017 -11.616   7.192
  731    HA   THR 103           HA       THR 103  -2.287 -11.942   8.063
  732    HB   THR 103           HB       THR 103  -3.596 -10.243   5.923
  733    HG1  THR 103           HG1      THR 103  -2.642 -11.770   4.598
  734   1HG2  THR 103          2HG2      THR 103  -0.918 -10.006   7.062
  735   2HG2  THR 103          1HG2      THR 103  -0.869 -10.392   5.342
  736   3HG2  THR 103          3HG2      THR 103  -1.736  -8.960   5.901
  737    H    LYS 104           H        LYS 104  -1.895 -10.980  10.072
  738    HA   LYS 104           HA       LYS 104  -2.850  -8.301  10.698
  739   1HB   LYS 104          1HB       LYS 104  -2.010 -10.270  12.301
  740   2HB   LYS 104          2HB       LYS 104  -0.450  -9.484  12.061
  741   1HG   LYS 104          1HG       LYS 104  -1.027  -7.973  13.622
  742   2HG   LYS 104          2HG       LYS 104  -2.289  -7.398  12.533
  743   1HD   LYS 104          1HD       LYS 104  -3.856  -8.177  13.944
  744   2HD   LYS 104          2HD       LYS 104  -3.221  -9.810  13.739
  745   1HE   LYS 104          1HE       LYS 104  -3.061  -9.387  16.073
  746   2HE   LYS 104          2HE       LYS 104  -1.426  -9.150  15.456
  747   1HZ   LYS 104          2HZ       LYS 104  -3.269  -6.865  15.561
  748   2HZ   LYS 104          1HZ       LYS 104  -2.508  -7.378  16.991
  749   3HZ   LYS 104          3HZ       LYS 104  -1.572  -6.888  15.663
  750    H    VAL 105           H        VAL 105  -1.784  -6.390  10.217
  751    HA   VAL 105           HA       VAL 105   1.077  -6.505   9.412
  752    HB   VAL 105           HB       VAL 105   0.665  -5.373   7.308
  753   1HG1  VAL 105          2HG1      VAL 105   0.369  -7.948   7.573
  754   2HG1  VAL 105          1HG1      VAL 105  -1.347  -7.624   7.348
  755   3HG1  VAL 105          3HG1      VAL 105  -0.197  -7.202   6.081
  756   1HG2  VAL 105          2HG2      VAL 105  -2.168  -5.283   8.321
  757   2HG2  VAL 105          1HG2      VAL 105  -1.211  -4.000   7.581
  758   3HG2  VAL 105          3HG2      VAL 105  -1.872  -5.296   6.582
  759    H    LYS 106           H        LYS 106   2.110  -4.471   9.688
  760    HA   LYS 106           HA       LYS 106   0.442  -2.376  11.011
  761   1HB   LYS 106          1HB       LYS 106   2.668  -1.274  11.503
  762   2HB   LYS 106          2HB       LYS 106   2.482  -2.853  12.263
  763   1HG   LYS 106          1HG       LYS 106   3.605  -3.050   9.586
  764   2HG   LYS 106          2HG       LYS 106   4.601  -2.057  10.643
  765   1HD   LYS 106          1HD       LYS 106   3.540  -4.742  11.532
  766   2HD   LYS 106          2HD       LYS 106   5.065  -4.593  10.658
  767   1HE   LYS 106          1HE       LYS 106   5.561  -2.734  12.472
  768   2HE   LYS 106          2HE       LYS 106   4.356  -3.625  13.403
  769   1HZ   LYS 106          2HZ       LYS 106   6.463  -5.150  12.063
  770   2HZ   LYS 106          1HZ       LYS 106   6.882  -4.280  13.461
  771   3HZ   LYS 106          3HZ       LYS 106   5.667  -5.460  13.531
  772    H    VAL 107           H        VAL 107  -0.360  -0.914   9.565
  773    HA   VAL 107           HA       VAL 107   0.814  -0.861   6.882
  774    HB   VAL 107           HB       VAL 107  -1.271  -0.126   6.156
  775   1HG1  VAL 107          1HG1      VAL 107  -1.524  -1.939   8.029
  776   2HG1  VAL 107          3HG1      VAL 107  -2.408  -0.642   8.829
  777   3HG1  VAL 107          2HG1      VAL 107  -2.923  -1.212   7.242
  778   1HG2  VAL 107          1HG2      VAL 107  -0.850   2.123   7.596
  779   2HG2  VAL 107          3HG2      VAL 107  -2.378   1.740   6.843
  780   3HG2  VAL 107          2HG2      VAL 107  -2.127   1.403   8.549
  781    H    HIS 108           H        HIS 108   1.083   1.175   5.743
  782    HA   HIS 108           HA       HIS 108   1.693   3.576   7.334
  783   1HB   HIS 108          1HB       HIS 108   3.874   2.300   7.232
  784   2HB   HIS 108          2HB       HIS 108   3.769   2.355   5.471
  785    HD1  HIS 108           HD1      HIS 108   5.951   3.838   5.440
  786    HD2  HIS 108           HD2      HIS 108   2.689   5.620   7.335
  787    HE1  HIS 108           HE1      HIS 108   6.523   6.290   5.695
  788    H    MET 109           H        MET 109   1.426   5.432   5.911
  789    HA   MET 109           HA       MET 109   0.954   4.871   3.055
  790   1HB   MET 109          1HB       MET 109  -1.249   6.438   4.241
  791   2HB   MET 109          2HB       MET 109  -1.302   5.201   2.997
  792   1HG   MET 109          2HG       MET 109  -1.616   3.475   4.537
  793   2HG   MET 109          1HG       MET 109  -0.792   4.335   5.838
  794   1HE   MET 109          3HE       MET 109  -3.602   2.954   4.618
  795   2HE   MET 109          2HE       MET 109  -5.029   3.746   5.280
  796   3HE   MET 109          1HE       MET 109  -4.354   4.298   3.749
  797    H    LYS 110           H        LYS 110   1.428   6.708   1.779
  798    HA   LYS 110           HA       LYS 110   1.393   9.330   3.169
  799   1HB   LYS 110          1HB       LYS 110   3.718   8.037   3.349
  800   2HB   LYS 110          2HB       LYS 110   3.940   8.694   1.727
  801   1HG   LYS 110          1HG       LYS 110   3.213  10.949   2.738
  802   2HG   LYS 110          2HG       LYS 110   3.482  10.193   4.307
  803   1HD   LYS 110          1HD       LYS 110   5.804   9.693   3.700
  804   2HD   LYS 110          2HD       LYS 110   5.547  10.371   2.092
  805   1HE   LYS 110          1HE       LYS 110   4.782  12.505   3.436
  806   2HE   LYS 110          2HE       LYS 110   5.733  11.784   4.734
  807   1HZ   LYS 110          3HZ       LYS 110   6.806  12.134   1.999
  808   2HZ   LYS 110          2HZ       LYS 110   6.937  13.348   3.181
  809   3HZ   LYS 110          1HZ       LYS 110   7.663  11.832   3.431
  810    H    LYS 111           H        LYS 111   1.660  11.134   1.600
  811    HA   LYS 111           HA       LYS 111   0.338  10.572  -0.909
  812   1HB   LYS 111          1HB       LYS 111  -0.042  12.685   0.259
  813   2HB   LYS 111          2HB       LYS 111   1.670  13.091   0.134
  814   1HG   LYS 111          1HG       LYS 111   1.542  13.521  -2.138
  815   2HG   LYS 111          2HG       LYS 111   0.160  12.460  -2.369
  816   1HD   LYS 111          1HD       LYS 111  -0.199  14.863  -0.629
  817   2HD   LYS 111          2HD       LYS 111  -0.149  15.098  -2.376
  818   1HE   LYS 111          1HE       LYS 111  -2.084  13.875  -2.741
  819   2HE   LYS 111          2HE       LYS 111  -1.877  12.914  -1.277
  820   1HZ   LYS 111          2HZ       LYS 111  -2.216  15.753  -0.837
  821   2HZ   LYS 111          1HZ       LYS 111  -3.571  14.973  -1.502
  822   3HZ   LYS 111          3HZ       LYS 111  -2.921  14.435  -0.031
  823    H    ALA 112           H        ALA 112   1.449   9.542  -2.486
  824    HA   ALA 112           HA       ALA 112   4.319   9.604  -2.726
  825   1HB   ALA 112          1HB       ALA 112   2.159   8.155  -3.820
  826   2HB   ALA 112          3HB       ALA 112   3.086   8.812  -5.168
  827   3HB   ALA 112          2HB       ALA 112   3.886   7.814  -3.956
  828    H    LEU 113           H        LEU 113   5.247  10.100  -5.042
  829    HA   LEU 113           HA       LEU 113   5.778  11.729  -6.642
  830   1HB   LEU 113          1HB       LEU 113   2.966  11.455  -6.694
  831   2HB   LEU 113          2HB       LEU 113   3.285  13.189  -6.692
  832    HG   LEU 113           HG       LEU 113   4.934  11.456  -8.487
  833   1HD1  LEU 113          2HD1      LEU 113   2.246  11.103  -8.589
  834   2HD1  LEU 113          1HD1      LEU 113   2.408  12.517  -9.630
  835   3HD1  LEU 113          3HD1      LEU 113   3.283  11.034 -10.014
  836   1HD2  LEU 113          3HD2      LEU 113   4.169  14.283  -8.162
  837   2HD2  LEU 113          2HD2      LEU 113   5.615  13.586  -8.892
  838   3HD2  LEU 113          1HD2      LEU 113   4.131  13.722  -9.834
  839    H    SER 114           H        SER 114   5.731  12.235  -3.610
  840    HA   SER 114           HA       SER 114   6.189  14.035  -2.177
  841   1HB   SER 114          1HB       SER 114   7.020  15.165  -4.858
  842   2HB   SER 114          2HB       SER 114   7.236  16.050  -3.351
  843    HG   SER 114           HG       SER 114   8.463  13.705  -4.268
  844    H    GLY 115           H        GLY 115   3.491  13.752  -3.536
  845   1HA   GLY 115          1HA       GLY 115   1.741  15.350  -2.540
  846   2HA   GLY 115          2HA       GLY 115   2.656  16.623  -3.337
  847    H    ASP 116           H        ASP 116   0.864  13.602  -4.086
  848    HA   ASP 116           HA       ASP 116  -0.671  14.799  -6.152
  849   1HB   ASP 116          1HB       ASP 116   1.930  14.544  -6.987
  850   2HB   ASP 116          2HB       ASP 116   1.212  13.047  -7.580
  851    H    SER 117           H        SER 117   0.979  11.764  -5.233
  852    HA   SER 117           HA       SER 117  -1.542  10.327  -5.948
  853   1HB   SER 117          1HB       SER 117   1.328   9.378  -5.851
  854   2HB   SER 117          2HB       SER 117  -0.042   8.283  -6.006
  855    HG   SER 117           HG       SER 117  -0.103   8.789  -8.033
  856    H    TYR 118           H        TYR 118  -1.585   8.136  -4.582
  857    HA   TYR 118           HA       TYR 118  -0.971   8.765  -1.719
  858   1HB   TYR 118          1HB       TYR 118  -3.494   7.367  -2.620
  859   2HB   TYR 118          2HB       TYR 118  -3.170   8.061  -1.030
  860    HD1  TYR 118           HD2      TYR 118  -2.896  10.612  -0.873
  861    HD2  TYR 118           HD1      TYR 118  -4.457   8.572  -4.316
  862    HE1  TYR 118           HE2      TYR 118  -3.916  12.721  -1.675
  863    HE2  TYR 118           HE1      TYR 118  -5.471  10.658  -5.105
  864    HH   TYR 118           HH       TYR 118  -4.745  13.392  -4.556
  865    H    TRP 119           H        TRP 119   0.021   7.019  -0.702
  866    HA   TRP 119           HA       TRP 119  -0.355   4.364  -1.936
  867   1HB   TRP 119          1HB       TRP 119   2.017   3.885  -1.870
  868   2HB   TRP 119          2HB       TRP 119   1.696   5.295  -2.869
  869    HD1  TRP 119           HD1      TRP 119   3.012   7.353  -2.320
  870    HE1  TRP 119           HE1      TRP 119   4.580   8.107  -0.464
  871    HE3  TRP 119           HE3      TRP 119   2.213   3.598   0.865
  872    HZ2  TRP 119           HZ2      TRP 119   5.393   7.167   2.157
  873    HZ3  TRP 119           HZ3      TRP 119   3.354   3.497   3.075
  874    HH2  TRP 119           HH2      TRP 119   4.958   5.277   3.704
  875    H    VAL 120           H        VAL 120   0.098   2.550  -0.611
  876    HA   VAL 120           HA       VAL 120   0.346   3.136   2.287
  877    HB   VAL 120           HB       VAL 120  -1.844   1.407   1.059
  878   1HG1  VAL 120          3HG1      VAL 120  -0.808   1.802   3.845
  879   2HG1  VAL 120          2HG1      VAL 120  -2.539   1.559   3.612
  880   3HG1  VAL 120          1HG1      VAL 120  -1.394   0.334   3.065
  881   1HG2  VAL 120          1HG2      VAL 120  -1.792   4.170   1.422
  882   2HG2  VAL 120          3HG2      VAL 120  -3.237   3.175   1.269
  883   3HG2  VAL 120          2HG2      VAL 120  -2.608   3.578   2.863
  884    H    PHE 121           H        PHE 121   2.191   1.969   2.789
  885    HA   PHE 121           HA       PHE 121   2.688  -0.621   1.470
  886   1HB   PHE 121          1HB       PHE 121   4.414   0.693   3.584
  887   2HB   PHE 121          2HB       PHE 121   4.894  -0.512   2.388
  888    HD1  PHE 121           HD1      PHE 121   3.128   0.864   0.155
  889    HD2  PHE 121           HD2      PHE 121   6.167   2.269   2.836
  890    HE1  PHE 121           HE1      PHE 121   3.698   2.660  -1.453
  891    HE2  PHE 121           HE2      PHE 121   6.708   4.097   1.245
  892    HZ   PHE 121           HZ       PHE 121   5.481   4.274  -0.899
  893    H    VAL 122           H        VAL 122   2.415  -2.565   2.495
  894    HA   VAL 122           HA       VAL 122   1.465  -2.424   5.306
  895    HB   VAL 122           HB       VAL 122   0.607  -3.946   2.908
  896   1HG1  VAL 122          2HG1      VAL 122   1.097  -5.326   5.510
  897   2HG1  VAL 122          1HG1      VAL 122  -0.421  -5.667   4.689
  898   3HG1  VAL 122          3HG1      VAL 122   1.114  -5.977   3.877
  899   1HG2  VAL 122          3HG2      VAL 122  -0.502  -2.166   4.634
  900   2HG2  VAL 122          2HG2      VAL 122  -1.436  -3.278   3.631
  901   3HG2  VAL 122          1HG2      VAL 122  -1.084  -3.686   5.312
  902    H    LYS 123           H        LYS 123   2.856  -3.135   6.748
  903    HA   LYS 123           HA       LYS 123   5.120  -4.895   5.962
  904   1HB   LYS 123          1HB       LYS 123   4.942  -2.827   7.771
  905   2HB   LYS 123          2HB       LYS 123   4.722  -4.226   8.806
  906   1HG   LYS 123          1HG       LYS 123   7.109  -3.504   8.588
  907   2HG   LYS 123          2HG       LYS 123   6.817  -5.177   8.121
  908   1HD   LYS 123          1HD       LYS 123   7.213  -4.769   5.895
  909   2HD   LYS 123          2HD       LYS 123   6.638  -3.108   5.987
  910   1HE   LYS 123          1HE       LYS 123   8.854  -2.583   5.906
  911   2HE   LYS 123          2HE       LYS 123   8.818  -2.980   7.623
  912   1HZ   LYS 123          2HZ       LYS 123   9.085  -5.385   6.293
  913   2HZ   LYS 123          1HZ       LYS 123  10.151  -4.317   5.513
  914   3HZ   LYS 123          3HZ       LYS 123  10.278  -4.568   7.185
  915    H    ARG 124           H        ARG 124   4.499  -7.057   5.838
  916    HA   ARG 124           HA       ARG 124   2.262  -8.042   7.376
  917   1HB   ARG 124          1HB       ARG 124   3.312  -9.024   5.193
  918   2HB   ARG 124          2HB       ARG 124   4.419  -9.856   6.287
  919   1HG   ARG 124          1HG       ARG 124   2.577 -10.930   7.435
  920   2HG   ARG 124          2HG       ARG 124   1.401  -9.973   6.533
  921   1HD   ARG 124          1HD       ARG 124   1.347 -11.671   5.044
  922   2HD   ARG 124          2HD       ARG 124   2.959 -11.155   4.547
  923    HE   ARG 124           HE       ARG 124   2.353 -13.562   6.008
  924   1HH1  ARG 124          2HH1      ARG 124   3.856 -13.072   8.168
  925   2HH1  ARG 124          1HH1      ARG 124   5.521 -13.059   7.691
  926   1HH2  ARG 124          1HH2      ARG 124   4.828 -12.634   4.321
  927   2HH2  ARG 124          2HH2      ARG 124   6.071 -12.811   5.514
  928    H    VAL 125           H        VAL 125   2.243  -8.347   9.484
  929    HA   VAL 125           HA       VAL 125   4.755  -8.648  10.990
  930    HB   VAL 125           HB       VAL 125   2.268  -8.878  12.547
  931   1HG1  VAL 125          3HG1      VAL 125   4.584  -6.929  12.537
  932   2HG1  VAL 125          2HG1      VAL 125   3.366  -7.062  13.806
  933   3HG1  VAL 125          1HG1      VAL 125   4.475  -8.401  13.502
  934   1HG2  VAL 125          2HG2      VAL 125   2.603  -6.632  10.597
  935   2HG2  VAL 125          1HG2      VAL 125   1.127  -7.369  11.215
  936   3HG2  VAL 125          3HG2      VAL 125   2.034  -6.240  12.219
  937    H2   HC4  69           H2       HC4  69  -6.781  -4.626   3.124
  938    H3   HC4  69           H3       HC4  69  -7.279  -7.400   1.953
  939    H2'  HC4  69           H2'      HC4  69  -5.452  -8.103   0.443
  940    H3'  HC4  69           H3'      HC4  69  -3.288  -7.695  -0.700
  941    H5'  HC4  69           H5'      HC4  69  -3.054  -3.792   1.112
  942    H6'  HC4  69           H6'      HC4  69  -5.221  -4.208   2.240
   
  No H/Q in entry =         942
  Start of MODEL   15
    1   1H    MET   1           H3       MET   1  18.149   8.985   7.470
    2   2H    MET   1           H2       MET   1  18.739  10.245   8.446
    3   3H    MET   1           H1       MET   1  18.848   8.634   8.974
    4    HA   MET   1           HA       MET   1  16.673   8.503   9.566
    5   1HB   MET   1          1HB       MET   1  17.672  11.313   9.844
    6   2HB   MET   1          2HB       MET   1  15.994  10.973  10.271
    7   1HG   MET   1          2HG       MET   1  16.615   9.415  11.945
    8   2HG   MET   1          1HG       MET   1  18.260   9.277  11.322
    9   1HE   MET   1          2HE       MET   1  16.039  10.273  13.598
   10   2HE   MET   1          1HE       MET   1  16.947  11.234  14.763
   11   3HE   MET   1          3HE       MET   1  15.907  12.029  13.573
   12    H    GLU   2           H        GLU   2  16.362   8.205   6.939
   13    HA   GLU   2           HA       GLU   2  14.842  10.314   5.660
   14   1HB   GLU   2          1HB       GLU   2  15.198   7.371   5.039
   15   2HB   GLU   2          2HB       GLU   2  14.264   8.467   4.020
   16   1HG   GLU   2          1HG       GLU   2  16.802   9.676   4.643
   17   2HG   GLU   2          2HG       GLU   2  17.068   8.060   3.988
   18    H    HIS   3           H        HIS   3  13.998   7.371   7.459
   19    HA   HIS   3           HA       HIS   3  11.952   6.727   8.417
   20   1HB   HIS   3          1HB       HIS   3  12.106   9.234   9.111
   21   2HB   HIS   3          2HB       HIS   3  10.904   9.494   7.847
   22    HD1  HIS   3           HD1      HIS   3   9.904  10.072  10.593
   23    HD2  HIS   3           HD2      HIS   3   9.800   6.216   9.013
   24    HE1  HIS   3           HE1      HIS   3   8.134   8.812  11.896
   25    H    VAL   4           H        VAL   4  10.801   5.347   7.149
   26    HA   VAL   4           HA       VAL   4   8.868   6.410   5.232
   27    HB   VAL   4           HB       VAL   4  10.892   6.370   3.824
   28   1HG1  VAL   4          1HG1      VAL   4  11.178   3.708   5.105
   29   2HG1  VAL   4          3HG1      VAL   4  11.582   3.780   3.392
   30   3HG1  VAL   4          2HG1      VAL   4  12.419   4.823   4.542
   31   1HG2  VAL   4          3HG2      VAL   4   8.485   5.400   3.136
   32   2HG2  VAL   4          2HG2      VAL   4   9.848   5.386   2.018
   33   3HG2  VAL   4          1HG2      VAL   4   9.431   3.928   2.917
   34    H    ALA   5           H        ALA   5   7.257   4.882   4.768
   35    HA   ALA   5           HA       ALA   5   5.856   3.097   5.342
   36   1HB   ALA   5          2HB       ALA   5   8.109   2.191   3.940
   37   2HB   ALA   5          1HB       ALA   5   7.897   1.024   5.235
   38   3HB   ALA   5          3HB       ALA   5   6.576   1.346   4.123
   39    H    PHE   6           H        PHE   6   8.699   1.513   6.713
   40    HA   PHE   6           HA       PHE   6   8.020   2.058   9.487
   41   1HB   PHE   6          1HB       PHE   6   7.858  -0.824   9.199
   42   2HB   PHE   6          2HB       PHE   6   6.718   0.266   9.979
   43    HD1  PHE   6           HD2      PHE   6   7.810  -0.716   6.523
   44    HD2  PHE   6           HD1      PHE   6   4.557   0.412   9.073
   45    HE1  PHE   6           HE2      PHE   6   6.250  -1.052   4.660
   46    HE2  PHE   6           HE1      PHE   6   2.997   0.083   7.181
   47    HZ   PHE   6           HZ       PHE   6   3.850  -0.643   4.986
   48    H    GLY   7           H        GLY   7   9.492  -0.144   7.173
   49   1HA   GLY   7          1HA       GLY   7  12.153   0.297   8.328
   50   2HA   GLY   7          2HA       GLY   7  11.572  -1.374   8.354
   51    H    SER   8           H        SER   8  10.515   0.750   5.804
   52    HA   SER   8           HA       SER   8  11.635  -1.008   3.777
   53   1HB   SER   8          1HB       SER   8  10.583   0.554   2.173
   54   2HB   SER   8          2HB       SER   8   9.452   0.115   3.451
   55    HG   SER   8           HG       SER   8   9.965   2.067   4.486
   56    H    GLU   9           H        GLU   9  13.370  -0.579   2.411
   57    HA   GLU   9           HA       GLU   9  15.557   0.971   3.294
   58   1HB   GLU   9          1HB       GLU   9  14.903  -0.654   1.061
   59   2HB   GLU   9          2HB       GLU   9  15.464   0.883   0.404
   60   1HG   GLU   9          1HG       GLU   9  17.362  -0.657   0.739
   61   2HG   GLU   9          2HG       GLU   9  17.499   0.737   1.812
   62    H    ASP  10           H        ASP  10  12.838   1.745   1.280
   63    HA   ASP  10           HA       ASP  10  12.407   4.394   1.751
   64   1HB   ASP  10          1HB       ASP  10  14.876   4.049   0.130
   65   2HB   ASP  10          2HB       ASP  10  13.704   5.187  -0.536
   66    H    ILE  11           H        ILE  11  10.322   3.661   1.079
   67    HA   ILE  11           HA       ILE  11  10.022   2.278  -1.423
   68    HB   ILE  11           HB       ILE  11   7.741   3.624  -0.222
   69   1HG1  ILE  11          1HG1      ILE  11   9.494   1.957   1.368
   70   2HG1  ILE  11          2HG1      ILE  11   8.062   2.834   1.872
   71   1HG2  ILE  11          3HG2      ILE  11   8.006   1.982  -2.256
   72   2HG2  ILE  11          2HG2      ILE  11   7.881   0.757  -1.010
   73   3HG2  ILE  11          1HG2      ILE  11   6.571   1.916  -1.237
   74   1HD1  ILE  11          2HD1      ILE  11   7.890   0.172   0.461
   75   2HD1  ILE  11          1HD1      ILE  11   8.040   0.290   2.208
   76   3HD1  ILE  11          3HD1      ILE  11   6.646   0.977   1.389
   77    H    GLU  12           H        GLU  12   8.519   5.368  -0.456
   78    HA   GLU  12           HA       GLU  12   7.619   6.280  -2.847
   79   1HB   GLU  12          1HB       GLU  12   7.851   7.483  -0.506
   80   2HB   GLU  12          2HB       GLU  12   9.253   8.239  -1.265
   81   1HG   GLU  12          1HG       GLU  12   6.530   8.182  -2.579
   82   2HG   GLU  12          2HG       GLU  12   7.047   9.496  -1.521
   83    H    ASN  13           H        ASN  13  11.059   6.180  -1.979
   84    HA   ASN  13           HA       ASN  13  11.863   7.593  -4.433
   85   1HB   ASN  13          1HB       ASN  13  13.146   6.676  -1.979
   86   2HB   ASN  13          2HB       ASN  13  14.096   6.243  -3.400
   87   1HD2  ASN  13          2HD2      ASN  13  15.273   9.525  -3.807
   88   2HD2  ASN  13          1HD2      ASN  13  15.495   7.865  -4.080
   89    H    THR  14           H        THR  14  11.929   4.291  -3.165
   90    HA   THR  14           HA       THR  14  13.066   3.076  -5.520
   91    HB   THR  14           HB       THR  14  11.575   2.078  -3.088
   92    HG1  THR  14           HG1      THR  14  13.537   1.850  -2.434
   93   1HG2  THR  14          1HG2      THR  14  12.357   0.515  -5.551
   94   2HG2  THR  14          3HG2      THR  14  12.270  -0.256  -3.966
   95   3HG2  THR  14          2HG2      THR  14  10.831   0.485  -4.667
   96    H    LEU  15           H        LEU  15  10.019   4.447  -4.967
   97    HA   LEU  15           HA       LEU  15   8.649   2.613  -6.839
   98   1HB   LEU  15          1HB       LEU  15   7.596   4.945  -5.199
   99   2HB   LEU  15          2HB       LEU  15   6.613   3.828  -6.144
  100    HG   LEU  15           HG       LEU  15   8.464   2.872  -3.976
  101   1HD1  LEU  15          2HD1      LEU  15   5.913   4.298  -3.727
  102   2HD1  LEU  15          1HD1      LEU  15   5.924   2.730  -2.919
  103   3HD1  LEU  15          3HD1      LEU  15   7.129   3.946  -2.500
  104   1HD2  LEU  15          2HD2      LEU  15   6.805   1.630  -5.914
  105   2HD2  LEU  15          1HD2      LEU  15   7.698   0.854  -4.605
  106   3HD2  LEU  15          3HD2      LEU  15   6.036   1.387  -4.345
  107    H    ALA  16           H        ALA  16  10.125   5.744  -6.662
  108    HA   ALA  16           HA       ALA  16   8.826   6.649  -9.164
  109   1HB   ALA  16          3HB       ALA  16   9.674   7.996  -6.908
  110   2HB   ALA  16          2HB       ALA  16  10.979   8.309  -8.051
  111   3HB   ALA  16          1HB       ALA  16   9.321   8.749  -8.463
  112    H    LYS  17           H        LYS  17  11.781   5.201  -8.058
  113    HA   LYS  17           HA       LYS  17  12.834   5.402 -10.841
  114   1HB   LYS  17          1HB       LYS  17  13.903   6.925  -8.883
  115   2HB   LYS  17          2HB       LYS  17  14.828   5.443  -8.635
  116   1HG   LYS  17          1HG       LYS  17  15.254   5.471 -11.163
  117   2HG   LYS  17          2HG       LYS  17  14.644   7.126 -11.138
  118   1HD   LYS  17          1HD       LYS  17  16.402   7.878  -9.746
  119   2HD   LYS  17          2HD       LYS  17  16.830   6.238  -9.256
  120   1HE   LYS  17          1HE       LYS  17  18.208   5.984 -11.021
  121   2HE   LYS  17          2HE       LYS  17  16.973   6.551 -12.143
  122   1HZ   LYS  17          1HZ       LYS  17  18.219   8.556 -10.438
  123   2HZ   LYS  17          3HZ       LYS  17  19.189   7.898 -11.663
  124   3HZ   LYS  17          2HZ       LYS  17  17.726   8.663 -12.059
  125    H    MET  18           H        MET  18  11.787   3.170 -10.742
  126    HA   MET  18           HA       MET  18  13.833   1.215  -9.834
  127   1HB   MET  18          1HB       MET  18  12.154   1.206  -8.097
  128   2HB   MET  18          2HB       MET  18  10.854   1.095  -9.281
  129   1HG   MET  18          2HG       MET  18  12.930  -1.010  -9.439
  130   2HG   MET  18          1HG       MET  18  11.905  -1.048  -8.004
  131   1HE   MET  18          3HE       MET  18   9.660  -0.640  -7.960
  132   2HE   MET  18          2HE       MET  18   8.800  -0.026  -9.371
  133   3HE   MET  18          1HE       MET  18   8.549  -1.690  -8.850
  134    H    ASP  19           H        ASP  19  14.437   0.160 -11.659
  135    HA   ASP  19           HA       ASP  19  12.958   0.207 -14.104
  136   1HB   ASP  19          1HB       ASP  19  15.410  -0.191 -13.973
  137   2HB   ASP  19          2HB       ASP  19  15.098  -1.768 -13.249
  138    H    ASP  20           H        ASP  20  13.761  -2.818 -12.368
  139    HA   ASP  20           HA       ASP  20  11.046  -3.645 -11.987
  140   1HB   ASP  20          1HB       ASP  20  11.837  -3.755 -14.665
  141   2HB   ASP  20          2HB       ASP  20  12.027  -5.413 -14.094
  142    H    GLY  21           H        GLY  21  12.938  -3.845 -10.195
  143   1HA   GLY  21          1HA       GLY  21  13.102  -6.556  -9.463
  144   2HA   GLY  21          2HA       GLY  21  14.612  -6.183 -10.298
  145    H    GLN  22           H        GLN  22  12.726  -3.965  -8.290
  146    HA   GLN  22           HA       GLN  22  14.926  -4.031  -6.274
  147   1HB   GLN  22          1HB       GLN  22  14.986  -2.064  -7.952
  148   2HB   GLN  22          2HB       GLN  22  13.565  -1.470  -7.093
  149   1HG   GLN  22          1HG       GLN  22  14.891  -1.682  -4.948
  150   2HG   GLN  22          2HG       GLN  22  16.313  -2.002  -5.942
  151   1HE2  GLN  22          2HE2      GLN  22  15.853   1.406  -7.483
  152   2HE2  GLN  22          1HE2      GLN  22  15.750  -0.174  -8.094
  153    H    LEU  23           H        LEU  23  11.501  -3.544  -6.957
  154    HA   LEU  23           HA       LEU  23  11.031  -3.163  -4.048
  155   1HB   LEU  23          1HB       LEU  23   9.262  -1.847  -4.588
  156   2HB   LEU  23          2HB       LEU  23  10.011  -1.778  -6.176
  157    HG   LEU  23           HG       LEU  23   7.872  -3.762  -5.337
  158   1HD1  LEU  23          1HD1      LEU  23   7.812  -1.177  -6.892
  159   2HD1  LEU  23          3HD1      LEU  23   6.579  -2.415  -7.127
  160   3HD1  LEU  23          2HD1      LEU  23   6.790  -1.670  -5.543
  161   1HD2  LEU  23          1HD2      LEU  23   9.690  -3.571  -7.638
  162   2HD2  LEU  23          3HD2      LEU  23   8.709  -4.931  -7.093
  163   3HD2  LEU  23          2HD2      LEU  23   7.992  -3.673  -8.100
  164    H    ASP  24           H        ASP  24  10.894  -5.582  -6.454
  165    HA   ASP  24           HA       ASP  24   8.658  -7.098  -5.449
  166   1HB   ASP  24          1HB       ASP  24   9.764  -9.006  -6.686
  167   2HB   ASP  24          2HB       ASP  24   9.473  -7.570  -7.669
  168    H    GLY  25           H        GLY  25  11.855  -6.601  -4.262
  169   1HA   GLY  25          1HA       GLY  25  11.714  -9.051  -2.578
  170   2HA   GLY  25          2HA       GLY  25  13.155  -8.057  -2.810
  171    H    LEU  26           H        LEU  26   9.935  -6.827  -2.116
  172    HA   LEU  26           HA       LEU  26  11.017  -5.551   0.323
  173   1HB   LEU  26          1HB       LEU  26   8.504  -5.044  -1.296
  174   2HB   LEU  26          2HB       LEU  26   8.904  -4.190   0.194
  175    HG   LEU  26           HG       LEU  26  10.767  -4.271  -2.191
  176   1HD1  LEU  26          2HD1      LEU  26   8.442  -2.477  -1.557
  177   2HD1  LEU  26          1HD1      LEU  26   9.863  -1.792  -2.344
  178   3HD1  LEU  26          3HD1      LEU  26   8.972  -3.102  -3.119
  179   1HD2  LEU  26          3HD2      LEU  26  11.110  -3.469   0.462
  180   2HD2  LEU  26          2HD2      LEU  26  12.138  -3.018  -0.897
  181   3HD2  LEU  26          1HD2      LEU  26  10.814  -1.962  -0.405
  182    H    ALA  27           H        ALA  27  10.496  -6.381   2.246
  183    HA   ALA  27           HA       ALA  27   8.778  -8.640   2.639
  184   1HB   ALA  27          3HB       ALA  27  10.477  -6.978   4.255
  185   2HB   ALA  27          2HB       ALA  27   8.921  -7.148   5.064
  186   3HB   ALA  27          1HB       ALA  27   9.846  -8.583   4.625
  187    H    PHE  28           H        PHE  28   8.072  -5.342   2.121
  188    HA   PHE  28           HA       PHE  28   5.338  -5.682   3.229
  189   1HB   PHE  28          1HB       PHE  28   5.373  -3.062   2.889
  190   2HB   PHE  28          2HB       PHE  28   6.160  -3.754   4.303
  191    HD1  PHE  28           HD2      PHE  28   6.751  -2.344   0.914
  192    HD2  PHE  28           HD1      PHE  28   8.553  -3.713   4.554
  193    HE1  PHE  28           HE2      PHE  28   8.930  -1.373   0.214
  194    HE2  PHE  28           HE1      PHE  28  10.718  -2.725   3.868
  195    HZ   PHE  28           HZ       PHE  28  10.906  -1.548   1.692
  196    H    GLY  29           H        GLY  29   3.968  -3.842   1.831
  197   1HA   GLY  29          1HA       GLY  29   4.407  -4.589  -1.028
  198   2HA   GLY  29          2HA       GLY  29   2.798  -4.522  -0.299
  199    H    ALA  30           H        ALA  30   4.373  -2.814  -2.450
  200    HA   ALA  30           HA       ALA  30   3.702  -0.199  -1.153
  201   1HB   ALA  30          2HB       ALA  30   6.126  -0.593  -1.899
  202   2HB   ALA  30          1HB       ALA  30   5.515  -0.539  -3.553
  203   3HB   ALA  30          3HB       ALA  30   5.351   0.870  -2.506
  204    H    ILE  31           H        ILE  31   1.706   0.403  -1.831
  205    HA   ILE  31           HA       ILE  31   1.088  -0.065  -4.713
  206    HB   ILE  31           HB       ILE  31  -1.118  -0.669  -4.228
  207   1HG1  ILE  31          1HG1      ILE  31  -1.997  -0.354  -1.793
  208   2HG1  ILE  31          2HG1      ILE  31  -0.740   0.881  -1.679
  209   1HG2  ILE  31          3HG2      ILE  31   0.534  -2.292  -3.305
  210   2HG2  ILE  31          2HG2      ILE  31   0.331  -1.555  -1.723
  211   3HG2  ILE  31          1HG2      ILE  31  -1.029  -2.359  -2.506
  212   1HD1  ILE  31          1HD1      ILE  31  -2.246   1.103  -4.166
  213   2HD1  ILE  31          3HD1      ILE  31  -3.297   1.227  -2.755
  214   3HD1  ILE  31          2HD1      ILE  31  -1.933   2.331  -2.939
  215    H    GLN  32           H        GLN  32   0.258   1.658  -5.862
  216    HA   GLN  32           HA       GLN  32   0.195   4.255  -4.391
  217   1HB   GLN  32          1HB       GLN  32   1.149   3.430  -7.067
  218   2HB   GLN  32          2HB       GLN  32   0.218   4.928  -7.046
  219   1HG   GLN  32          1HG       GLN  32   1.729   6.007  -5.622
  220   2HG   GLN  32          2HG       GLN  32   2.388   4.490  -5.013
  221   1HE2  GLN  32          2HE2      GLN  32   4.876   5.878  -7.416
  222   2HE2  GLN  32          1HE2      GLN  32   4.215   6.378  -5.934
  223    H    LEU  33           H        LEU  33  -1.459   5.845  -5.468
  224    HA   LEU  33           HA       LEU  33  -3.782   4.438  -6.617
  225   1HB   LEU  33          1HB       LEU  33  -3.839   5.846  -3.933
  226   2HB   LEU  33          2HB       LEU  33  -5.295   5.486  -4.859
  227    HG   LEU  33           HG       LEU  33  -3.257   3.413  -3.990
  228   1HD1  LEU  33          2HD1      LEU  33  -4.638   4.527  -2.148
  229   2HD1  LEU  33          1HD1      LEU  33  -6.055   3.812  -2.918
  230   3HD1  LEU  33          3HD1      LEU  33  -4.784   2.773  -2.273
  231   1HD2  LEU  33          2HD2      LEU  33  -5.475   3.423  -5.867
  232   2HD2  LEU  33          1HD2      LEU  33  -4.292   2.154  -5.551
  233   3HD2  LEU  33          3HD2      LEU  33  -5.752   2.259  -4.570
  234    H    ASP  34           H        ASP  34  -5.091   5.863  -7.842
  235    HA   ASP  34           HA       ASP  34  -4.196   8.718  -7.839
  236   1HB   ASP  34          1HB       ASP  34  -4.561   6.836 -10.015
  237   2HB   ASP  34          2HB       ASP  34  -5.578   8.259 -10.231
  238    H    GLY  35           H        GLY  35  -5.688  10.238  -7.612
  239   1HA   GLY  35          1HA       GLY  35  -7.806  10.559  -6.219
  240   2HA   GLY  35          2HA       GLY  35  -7.909  11.228  -7.842
  241    H    ASP  36           H        ASP  36  -8.510   8.250  -6.053
  242    HA   ASP  36           HA       ASP  36 -11.202   7.876  -6.552
  243   1HB   ASP  36          1HB       ASP  36  -9.705   7.550  -9.014
  244   2HB   ASP  36          2HB       ASP  36 -10.461   6.024  -8.560
  245    H    GLY  37           H        GLY  37  -8.025   6.500  -6.300
  246   1HA   GLY  37          1HA       GLY  37  -7.496   4.872  -4.600
  247   2HA   GLY  37          2HA       GLY  37  -9.152   4.270  -4.713
  248    H    ASN  38           H        ASN  38  -7.615   5.035  -7.722
  249    HA   ASN  38           HA       ASN  38  -7.660   2.159  -8.397
  250   1HB   ASN  38          1HB       ASN  38  -7.175   2.852 -10.677
  251   2HB   ASN  38          2HB       ASN  38  -8.468   3.859 -10.031
  252   1HD2  ASN  38          2HD2      ASN  38  -5.236   5.676 -11.441
  253   2HD2  ASN  38          1HD2      ASN  38  -5.709   4.093 -11.834
  254    H    ILE  39           H        ILE  39  -5.899   0.879  -8.377
  255    HA   ILE  39           HA       ILE  39  -3.447   1.788  -7.241
  256    HB   ILE  39           HB       ILE  39  -4.557  -0.741  -8.218
  257   1HG1  ILE  39          1HG1      ILE  39  -3.018  -1.533  -6.324
  258   2HG1  ILE  39          2HG1      ILE  39  -2.648   0.174  -6.073
  259   1HG2  ILE  39          3HG2      ILE  39  -1.616  -0.190  -8.668
  260   2HG2  ILE  39          2HG2      ILE  39  -2.216  -1.816  -8.340
  261   3HG2  ILE  39          1HG2      ILE  39  -2.768  -0.945  -9.771
  262   1HD1  ILE  39          1HD1      ILE  39  -5.219   0.509  -6.054
  263   2HD1  ILE  39          3HD1      ILE  39  -5.294  -1.233  -5.800
  264   3HD1  ILE  39          2HD1      ILE  39  -4.468  -0.208  -4.626
  265    H    LEU  40           H        LEU  40  -1.576   2.438  -8.066
  266    HA   LEU  40           HA       LEU  40  -1.382   2.794 -11.027
  267   1HB   LEU  40          1HB       LEU  40   0.500   4.208  -9.187
  268   2HB   LEU  40          2HB       LEU  40  -0.225   4.771 -10.689
  269    HG   LEU  40           HG       LEU  40  -1.714   4.476  -8.060
  270   1HD1  LEU  40          1HD1      LEU  40   0.146   6.401  -8.699
  271   2HD1  LEU  40          3HD1      LEU  40  -1.357   7.144  -9.247
  272   3HD1  LEU  40          2HD1      LEU  40  -1.190   6.626  -7.569
  273   1HD2  LEU  40          3HD2      LEU  40  -2.911   4.266 -10.362
  274   2HD2  LEU  40          2HD2      LEU  40  -3.577   5.382  -9.169
  275   3HD2  LEU  40          1HD2      LEU  40  -2.601   5.995 -10.503
  276    H    GLN  41           H        GLN  41   0.067   1.488  -8.136
  277    HA   GLN  41           HA       GLN  41   1.844  -0.221  -9.730
  278   1HB   GLN  41          1HB       GLN  41   3.440   1.472  -9.587
  279   2HB   GLN  41          2HB       GLN  41   2.821   2.081  -8.061
  280   1HG   GLN  41          1HG       GLN  41   4.087  -0.642  -8.162
  281   2HG   GLN  41          2HG       GLN  41   5.107   0.787  -8.138
  282   1HE2  GLN  41          2HE2      GLN  41   2.754   1.126  -4.889
  283   2HE2  GLN  41          1HE2      GLN  41   2.156   1.391  -6.443
  284    H    TYR  42           H        TYR  42   2.792  -1.968  -8.243
  285    HA   TYR  42           HA       TYR  42   1.498  -2.117  -5.579
  286   1HB   TYR  42          1HB       TYR  42  -0.081  -3.022  -7.330
  287   2HB   TYR  42          2HB       TYR  42   1.099  -4.278  -7.665
  288    HD1  TYR  42           HD1      TYR  42  -0.763  -2.757  -4.778
  289    HD2  TYR  42           HD2      TYR  42   0.986  -6.273  -6.493
  290    HE1  TYR  42           HE1      TYR  42  -1.680  -4.113  -2.910
  291    HE2  TYR  42           HE2      TYR  42   0.071  -7.624  -4.653
  292    HH   TYR  42           HH       TYR  42  -2.313  -6.594  -2.583
  293    H    ASN  43           H        ASN  43   2.966  -4.585  -7.695
  294    HA   ASN  43           HA       ASN  43   5.241  -5.391  -7.578
  295   1HB   ASN  43          1HB       ASN  43   6.642  -5.202  -5.733
  296   2HB   ASN  43          2HB       ASN  43   5.699  -3.723  -5.624
  297   1HD2  ASN  43          2HD2      ASN  43   5.761  -5.366  -2.254
  298   2HD2  ASN  43          1HD2      ASN  43   6.954  -4.789  -3.314
  299    H    ALA  44           H        ALA  44   6.084  -7.449  -6.185
  300    HA   ALA  44           HA       ALA  44   3.744  -9.265  -6.245
  301   1HB   ALA  44          1HB       ALA  44   6.581  -9.480  -6.870
  302   2HB   ALA  44          3HB       ALA  44   6.004 -10.833  -5.898
  303   3HB   ALA  44          2HB       ALA  44   5.228 -10.459  -7.437
  304    H    ALA  45           H        ALA  45   6.060  -8.070  -3.851
  305    HA   ALA  45           HA       ALA  45   5.943 -10.127  -1.939
  306   1HB   ALA  45          1HB       ALA  45   5.889  -7.131  -1.465
  307   2HB   ALA  45          3HB       ALA  45   6.191  -8.327  -0.206
  308   3HB   ALA  45          2HB       ALA  45   7.321  -8.156  -1.549
  309    H    GLU  46           H        GLU  46   3.854  -7.287  -1.850
  310    HA   GLU  46           HA       GLU  46   2.026  -8.283   0.066
  311   1HB   GLU  46          1HB       GLU  46   0.366  -6.683  -1.376
  312   2HB   GLU  46          2HB       GLU  46   1.515  -6.077  -0.205
  313   1HG   GLU  46          1HG       GLU  46   3.155  -5.712  -2.003
  314   2HG   GLU  46          2HG       GLU  46   1.988  -6.313  -3.180
  315    HE2  GLU  46           HE1      GLU  46   1.750  -3.601  -4.043
  316    H    GLY  47           H        GLY  47   1.653  -8.195  -3.442
  317   1HA   GLY  47          1HA       GLY  47  -0.781  -9.664  -3.561
  318   2HA   GLY  47          2HA       GLY  47   0.403  -9.585  -4.869
  319    H    ASP  48           H        ASP  48   2.368 -10.761  -2.691
  320    HA   ASP  48           HA       ASP  48   1.983 -13.517  -3.567
  321   1HB   ASP  48          1HB       ASP  48   4.102 -11.943  -2.372
  322   2HB   ASP  48          2HB       ASP  48   3.903 -13.466  -1.505
  323    H    ILE  49           H        ILE  49   1.488 -11.671  -0.588
  324    HA   ILE  49           HA       ILE  49   0.762 -14.079   0.897
  325    HB   ILE  49           HB       ILE  49   1.402 -11.306   1.449
  326   1HG1  ILE  49          1HG1      ILE  49   1.908 -12.701   3.714
  327   2HG1  ILE  49          2HG1      ILE  49   1.873 -14.007   2.529
  328   1HG2  ILE  49          1HG2      ILE  49  -0.895 -12.598   2.860
  329   2HG2  ILE  49          3HG2      ILE  49   0.204 -11.557   3.766
  330   3HG2  ILE  49          2HG2      ILE  49  -0.684 -10.913   2.387
  331   1HD1  ILE  49          3HD1      ILE  49   3.321 -11.908   1.321
  332   2HD1  ILE  49          2HD1      ILE  49   3.925 -12.024   2.973
  333   3HD1  ILE  49          1HD1      ILE  49   3.962 -13.438   1.919
  334    H    THR  50           H        THR  50  -0.903 -11.139  -0.253
  335    HA   THR  50           HA       THR  50  -3.506 -12.294   0.489
  336    HB   THR  50           HB       THR  50  -4.314 -10.180   0.446
  337    HG1  THR  50           HG1      THR  50  -2.973  -9.294  -1.823
  338   1HG2  THR  50          2HG2      THR  50  -1.848  -9.902   1.247
  339   2HG2  THR  50          1HG2      THR  50  -1.610  -9.095  -0.301
  340   3HG2  THR  50          3HG2      THR  50  -2.778  -8.458   0.856
  341    H    GLY  51           H        GLY  51  -1.605 -11.789  -2.433
  342   1HA   GLY  51          1HA       GLY  51  -1.907 -13.245  -4.350
  343   2HA   GLY  51          2HA       GLY  51  -3.586 -13.443  -3.874
  344    H    ARG  52           H        ARG  52  -3.078 -10.247  -3.464
  345    HA   ARG  52           HA       ARG  52  -4.738  -9.249  -5.393
  346   1HB   ARG  52          1HB       ARG  52  -2.619  -8.152  -3.731
  347   2HB   ARG  52          2HB       ARG  52  -2.788  -7.267  -5.244
  348   1HG   ARG  52          1HG       ARG  52  -5.412  -7.679  -4.489
  349   2HG   ARG  52          2HG       ARG  52  -4.611  -7.399  -2.950
  350   1HD   ARG  52          1HD       ARG  52  -3.535  -5.522  -4.783
  351   2HD   ARG  52          2HD       ARG  52  -5.276  -5.480  -4.990
  352    HE   ARG  52           HE       ARG  52  -5.124  -5.274  -2.299
  353   1HH1  ARG  52          2HH1      ARG  52  -4.232  -3.409  -4.971
  354   2HH1  ARG  52          1HH1      ARG  52  -3.493  -2.139  -4.052
  355   1HH2  ARG  52          1HH2      ARG  52  -3.737  -3.816  -1.032
  356   2HH2  ARG  52          2HH2      ARG  52  -3.212  -2.372  -1.826
  357    H    ASP  53           H        ASP  53  -1.203  -9.619  -5.894
  358    HA   ASP  53           HA       ASP  53  -0.014  -9.769  -7.922
  359   1HB   ASP  53          1HB       ASP  53  -2.572 -10.936  -8.474
  360   2HB   ASP  53          2HB       ASP  53  -2.138  -9.913  -9.843
  361    HA   PRO  54           HA       PRO  54  -0.365  -5.552  -9.163
  362   1HB   PRO  54          1HB       PRO  54   1.509  -5.537 -11.171
  363   2HB   PRO  54          2HB       PRO  54   1.914  -5.565  -9.446
  364   1HG   PRO  54          1HG       PRO  54   2.074  -7.770 -11.445
  365   2HG   PRO  54          2HG       PRO  54   2.992  -7.545  -9.948
  366   1HD   PRO  54          1HD       PRO  54   0.786  -9.292 -10.309
  367   2HD   PRO  54          2HD       PRO  54   1.522  -8.837  -8.757
  368    H    LYS  55           H        LYS  55   0.168  -7.450 -12.166
  369    HA   LYS  55           HA       LYS  55  -1.284  -5.746 -13.868
  370   1HB   LYS  55          1HB       LYS  55  -1.398  -7.642 -15.422
  371   2HB   LYS  55          2HB       LYS  55   0.191  -7.567 -14.661
  372   1HG   LYS  55          1HG       LYS  55  -0.301  -9.373 -13.199
  373   2HG   LYS  55          2HG       LYS  55  -2.030  -9.271 -13.528
  374   1HD   LYS  55          1HD       LYS  55  -1.745 -10.837 -15.118
  375   2HD   LYS  55          2HD       LYS  55  -0.828  -9.645 -16.040
  376   1HE   LYS  55          1HE       LYS  55   0.907 -11.089 -15.839
  377   2HE   LYS  55          2HE       LYS  55   1.022 -10.498 -14.181
  378   1HZ   LYS  55          2HZ       LYS  55  -0.710 -12.266 -13.664
  379   2HZ   LYS  55          1HZ       LYS  55  -0.319 -12.936 -15.175
  380   3HZ   LYS  55          3HZ       LYS  55   0.872 -12.799 -13.975
  381    H    GLN  56           H        GLN  56  -2.535  -8.022 -11.547
  382    HA   GLN  56           HA       GLN  56  -5.176  -8.075 -12.856
  383   1HB   GLN  56          1HB       GLN  56  -4.149 -10.035 -11.558
  384   2HB   GLN  56          2HB       GLN  56  -4.518  -9.118 -10.096
  385   1HG   GLN  56          1HG       GLN  56  -6.823  -9.280 -10.411
  386   2HG   GLN  56          2HG       GLN  56  -6.667  -9.539 -12.150
  387   1HE2  GLN  56          2HE2      GLN  56  -7.264 -12.960 -11.395
  388   2HE2  GLN  56          1HE2      GLN  56  -7.904 -11.549 -12.088
  389    H    VAL  57           H        VAL  57  -3.691  -6.666  -9.951
  390    HA   VAL  57           HA       VAL  57  -6.198  -5.362  -9.179
  391    HB   VAL  57           HB       VAL  57  -4.905  -4.415  -7.358
  392   1HG1  VAL  57          1HG1      VAL  57  -4.778  -7.261  -8.091
  393   2HG1  VAL  57          3HG1      VAL  57  -3.592  -6.776  -6.885
  394   3HG1  VAL  57          2HG1      VAL  57  -5.309  -6.512  -6.589
  395   1HG2  VAL  57          2HG2      VAL  57  -2.577  -5.305  -9.068
  396   2HG2  VAL  57          1HG2      VAL  57  -2.866  -3.723  -8.344
  397   3HG2  VAL  57          3HG2      VAL  57  -2.387  -5.084  -7.328
  398    H    ILE  58           H        ILE  58  -4.149  -4.763 -11.666
  399    HA   ILE  58           HA       ILE  58  -3.746  -1.927 -11.349
  400    HB   ILE  58           HB       ILE  58  -3.220  -3.987 -13.401
  401   1HG1  ILE  58          1HG1      ILE  58  -1.731  -1.425 -12.960
  402   2HG1  ILE  58          2HG1      ILE  58  -1.736  -2.650 -11.692
  403   1HG2  ILE  58          2HG2      ILE  58  -3.929  -1.149 -14.192
  404   2HG2  ILE  58          1HG2      ILE  58  -2.789  -2.111 -15.133
  405   3HG2  ILE  58          3HG2      ILE  58  -4.456  -2.654 -14.944
  406   1HD1  ILE  58          1HD1      ILE  58  -1.250  -3.811 -14.327
  407   2HD1  ILE  58          3HD1      ILE  58  -0.039  -2.600 -13.907
  408   3HD1  ILE  58          2HD1      ILE  58  -0.314  -3.979 -12.842
  409    H    GLY  59           H        GLY  59  -5.262  -0.435 -11.471
  410   1HA   GLY  59          1HA       GLY  59  -7.106   0.738 -12.466
  411   2HA   GLY  59          2HA       GLY  59  -7.498  -0.714 -13.388
  412    H    LYS  60           H        LYS  60  -7.071  -2.073 -10.518
  413    HA   LYS  60           HA       LYS  60  -9.932  -2.096  -9.910
  414   1HB   LYS  60          1HB       LYS  60  -7.669  -3.364  -8.335
  415   2HB   LYS  60          2HB       LYS  60  -9.377  -3.798  -8.278
  416   1HG   LYS  60          1HG       LYS  60  -7.521  -4.102 -10.660
  417   2HG   LYS  60          2HG       LYS  60  -8.193  -5.406  -9.680
  418   1HD   LYS  60          1HD       LYS  60 -10.421  -3.903 -10.467
  419   2HD   LYS  60          2HD       LYS  60  -9.403  -3.967 -11.905
  420   1HE   LYS  60          1HE       LYS  60  -9.186  -6.528 -11.195
  421   2HE   LYS  60          2HE       LYS  60 -10.734  -6.195 -10.421
  422   1HZ   LYS  60          3HZ       LYS  60 -10.697  -5.080 -13.019
  423   2HZ   LYS  60          2HZ       LYS  60 -10.265  -6.720 -13.102
  424   3HZ   LYS  60          1HZ       LYS  60 -11.733  -6.262 -12.382
  425    H    ASN  61           H        ASN  61 -10.929  -1.157  -8.127
  426    HA   ASN  61           HA       ASN  61  -9.469   1.033  -6.832
  427   1HB   ASN  61          1HB       ASN  61 -12.224   0.347  -7.318
  428   2HB   ASN  61          2HB       ASN  61 -11.998   0.645  -5.594
  429   1HD2  ASN  61          2HD2      ASN  61 -10.894   3.724  -8.098
  430   2HD2  ASN  61          1HD2      ASN  61 -10.530   2.128  -8.545
  431    H    PHE  62           H        PHE  62  -7.933   0.014  -5.508
  432    HA   PHE  62           HA       PHE  62  -8.301  -2.208  -3.826
  433   1HB   PHE  62          1HB       PHE  62  -6.097  -1.445  -4.077
  434   2HB   PHE  62          2HB       PHE  62  -6.521   0.215  -3.674
  435    HD1  PHE  62           HD1      PHE  62  -6.414  -3.224  -2.238
  436    HD2  PHE  62           HD2      PHE  62  -6.225   0.989  -1.462
  437    HE1  PHE  62           HE1      PHE  62  -5.797  -3.684   0.114
  438    HE2  PHE  62           HE2      PHE  62  -5.575   0.532   0.891
  439    HZ   PHE  62           HZ       PHE  62  -5.374  -1.812   1.683
  440    H    PHE  63           H        PHE  63  -9.513   1.013  -3.458
  441    HA   PHE  63           HA       PHE  63  -9.950   0.671  -0.583
  442   1HB   PHE  63          1HB       PHE  63 -10.329   2.859  -2.559
  443   2HB   PHE  63          2HB       PHE  63 -11.375   2.881  -1.138
  444    HD1  PHE  63           HD2      PHE  63 -10.142   2.330   1.148
  445    HD2  PHE  63           HD1      PHE  63  -8.218   3.841  -2.381
  446    HE1  PHE  63           HE2      PHE  63  -8.266   3.165   2.528
  447    HE2  PHE  63           HE1      PHE  63  -6.334   4.675  -0.993
  448    HZ   PHE  63           HZ       PHE  63  -6.359   4.336   1.462
  449    H    LYS  64           H        LYS  64 -11.841   0.387  -3.543
  450    HA   LYS  64           HA       LYS  64 -14.013  -0.841  -1.936
  451   1HB   LYS  64          1HB       LYS  64 -15.728   0.439  -3.223
  452   2HB   LYS  64          2HB       LYS  64 -14.737   1.481  -2.202
  453   1HG   LYS  64          1HG       LYS  64 -13.270   1.916  -4.205
  454   2HG   LYS  64          2HG       LYS  64 -14.444   1.037  -5.184
  455   1HD   LYS  64          1HD       LYS  64 -15.760   2.855  -5.314
  456   2HD   LYS  64          2HD       LYS  64 -15.825   2.967  -3.554
  457   1HE   LYS  64          1HE       LYS  64 -14.576   4.834  -3.686
  458   2HE   LYS  64          2HE       LYS  64 -13.243   3.845  -4.282
  459   1HZ   LYS  64          1HZ       LYS  64 -14.720   4.095  -6.485
  460   2HZ   LYS  64          3HZ       LYS  64 -15.060   5.577  -5.734
  461   3HZ   LYS  64          2HZ       LYS  64 -13.452   5.151  -6.080
  462    H    ASP  65           H        ASP  65 -12.171  -2.210  -3.444
  463    HA   ASP  65           HA       ASP  65 -13.881  -3.532  -5.386
  464   1HB   ASP  65          1HB       ASP  65 -12.653  -1.366  -6.433
  465   2HB   ASP  65          2HB       ASP  65 -11.391  -2.571  -6.685
  466    H    VAL  66           H        VAL  66 -10.630  -3.151  -3.966
  467    HA   VAL  66           HA       VAL  66 -10.090  -6.015  -4.618
  468    HB   VAL  66           HB       VAL  66  -8.181  -4.035  -3.396
  469   1HG1  VAL  66          3HG1      VAL  66  -8.085  -6.773  -3.961
  470   2HG1  VAL  66          2HG1      VAL  66  -7.097  -6.003  -5.201
  471   3HG1  VAL  66          1HG1      VAL  66  -6.744  -5.731  -3.493
  472   1HG2  VAL  66          3HG2      VAL  66  -8.610  -4.559  -6.346
  473   2HG2  VAL  66          2HG2      VAL  66  -8.982  -3.056  -5.501
  474   3HG2  VAL  66          1HG2      VAL  66  -7.309  -3.592  -5.653
  475    H    ALA  67           H        ALA  67  -9.557  -3.654  -2.081
  476    HA   ALA  67           HA       ALA  67  -9.676  -5.789  -0.029
  477   1HB   ALA  67          3HB       ALA  67  -8.650  -2.945  -0.046
  478   2HB   ALA  67          2HB       ALA  67  -8.599  -4.010   1.358
  479   3HB   ALA  67          1HB       ALA  67  -7.679  -4.416  -0.091
  480    HA   PRO  68           HA       PRO  68 -13.718  -3.793   0.662
  481   1HB   PRO  68          1HB       PRO  68 -14.848  -5.982   1.884
  482   2HB   PRO  68          2HB       PRO  68 -14.807  -5.751   0.127
  483   1HG   PRO  68          1HG       PRO  68 -13.166  -7.584   1.820
  484   2HG   PRO  68          2HG       PRO  68 -13.645  -7.750   0.123
  485   1HD   PRO  68          1HD       PRO  68 -11.107  -6.921   1.037
  486   2HD   PRO  68          2HD       PRO  68 -11.729  -6.735  -0.616
  487    H    CYS  69           H        CYS  69 -11.203  -4.717   2.669
  488    HA   CYS  69           HA       CYS  69 -12.688  -4.118   5.163
  489   1HB   CYS  69          1HB       CYS  69 -10.874  -5.121   6.337
  490   2HB   CYS  69          2HB       CYS  69 -11.131  -6.148   4.931
  491    H    THR  70           H        THR  70 -10.387  -2.755   2.930
  492    HA   THR  70           HA       THR  70  -9.421  -0.745   4.830
  493    HB   THR  70           HB       THR  70  -8.410   0.245   2.678
  494    HG1  THR  70           HG1      THR  70  -9.849  -0.782   1.249
  495   1HG2  THR  70          2HG2      THR  70  -7.726  -2.046   4.255
  496   2HG2  THR  70          1HG2      THR  70  -7.228  -2.340   2.590
  497   3HG2  THR  70          3HG2      THR  70  -6.650  -0.913   3.446
  498    H    ASP  71           H        ASP  71 -12.359  -1.106   3.433
  499    HA   ASP  71           HA       ASP  71 -12.706   1.727   2.664
  500   1HB   ASP  71          1HB       ASP  71 -13.801  -0.115   1.349
  501   2HB   ASP  71          2HB       ASP  71 -14.770  -0.494   2.773
  502    H    SER  72           H        SER  72 -11.952   1.627   5.227
  503    HA   SER  72           HA       SER  72 -14.483   2.059   6.768
  504   1HB   SER  72          1HB       SER  72 -12.022   1.589   8.321
  505   2HB   SER  72          2HB       SER  72 -13.634   0.915   8.540
  506    HG   SER  72           HG       SER  72 -13.153  -0.418   6.677
  507    HA   PRO  73           HA       PRO  73 -12.982   6.092   7.713
  508   1HB   PRO  73          1HB       PRO  73 -13.328   6.368  10.424
  509   2HB   PRO  73          2HB       PRO  73 -14.664   6.360   9.259
  510   1HG   PRO  73          1HG       PRO  73 -13.822   4.229  11.162
  511   2HG   PRO  73          2HG       PRO  73 -15.418   4.538  10.458
  512   1HD   PRO  73          1HD       PRO  73 -13.584   2.542   9.631
  513   2HD   PRO  73          2HD       PRO  73 -15.041   3.054   8.752
  514    H    GLU  74           H        GLU  74 -11.241   3.469   9.011
  515    HA   GLU  74           HA       GLU  74  -9.161   5.243  10.148
  516   1HB   GLU  74          1HB       GLU  74  -9.431   2.235  10.298
  517   2HB   GLU  74          2HB       GLU  74  -8.202   3.201  11.114
  518   1HG   GLU  74          1HG       GLU  74 -11.074   3.916  11.547
  519   2HG   GLU  74          2HG       GLU  74 -10.437   2.495  12.374
  520    H    PHE  75           H        PHE  75  -9.854   3.128   7.491
  521    HA   PHE  75           HA       PHE  75  -7.003   3.257   6.603
  522   1HB   PHE  75          1HB       PHE  75  -8.641   1.100   6.663
  523   2HB   PHE  75          2HB       PHE  75  -9.023   1.709   5.053
  524    HD1  PHE  75           HD1      PHE  75  -6.986   2.363   3.559
  525    HD2  PHE  75           HD2      PHE  75  -6.721  -0.226   6.966
  526    HE1  PHE  75           HE1      PHE  75  -4.888   1.429   2.668
  527    HE2  PHE  75           HE2      PHE  75  -4.598  -1.164   6.082
  528    HZ   PHE  75           HZ       PHE  75  -3.680  -0.336   3.931
  529    H    TYR  76           H        TYR  76 -10.174   3.269   4.896
  530    HA   TYR  76           HA       TYR  76  -9.167   5.114   2.888
  531   1HB   TYR  76          1HB       TYR  76 -11.024   3.443   2.488
  532   2HB   TYR  76          2HB       TYR  76 -12.065   4.451   3.492
  533    HD1  TYR  76           HD1      TYR  76  -9.482   5.272   0.883
  534    HD2  TYR  76           HD2      TYR  76 -13.575   5.611   2.138
  535    HE1  TYR  76           HE1      TYR  76  -9.953   6.720  -1.074
  536    HE2  TYR  76           HE2      TYR  76 -14.049   7.066   0.186
  537    HH   TYR  76           HH       TYR  76 -11.905   7.390  -2.430
  538    H    GLY  77           H        GLY  77 -10.561   5.429   6.031
  539   1HA   GLY  77          1HA       GLY  77 -11.736   8.027   5.811
  540   2HA   GLY  77          2HA       GLY  77 -11.138   7.306   7.295
  541    H    LYS  78           H        LYS  78  -8.587   7.126   7.221
  542    HA   LYS  78           HA       LYS  78  -7.611   9.815   7.279
  543   1HB   LYS  78          1HB       LYS  78  -5.795   7.423   7.034
  544   2HB   LYS  78          2HB       LYS  78  -5.547   8.907   7.952
  545   1HG   LYS  78          1HG       LYS  78  -7.288   6.544   8.613
  546   2HG   LYS  78          2HG       LYS  78  -6.119   7.371   9.636
  547   1HD   LYS  78          1HD       LYS  78  -7.860   9.405   9.188
  548   2HD   LYS  78          2HD       LYS  78  -8.966   8.036   9.080
  549   1HE   LYS  78          1HE       LYS  78  -9.004   8.533  11.376
  550   2HE   LYS  78          2HE       LYS  78  -7.811   7.237  11.288
  551   1HZ   LYS  78          2HZ       LYS  78  -6.087   8.998  11.111
  552   2HZ   LYS  78          1HZ       LYS  78  -7.289  10.154  11.432
  553   3HZ   LYS  78          3HZ       LYS  78  -6.909   8.983  12.598
  554    H    PHE  79           H        PHE  79  -8.015   7.634   4.690
  555    HA   PHE  79           HA       PHE  79  -5.964   8.758   2.987
  556   1HB   PHE  79          1HB       PHE  79  -6.661   6.497   2.569
  557   2HB   PHE  79          2HB       PHE  79  -8.352   6.978   2.521
  558    HD1  PHE  79           HD1      PHE  79  -9.114   8.551   0.641
  559    HD2  PHE  79           HD2      PHE  79  -5.337   6.488   0.571
  560    HE1  PHE  79           HE1      PHE  79  -8.978   8.862  -1.818
  561    HE2  PHE  79           HE2      PHE  79  -5.234   6.785  -1.871
  562    HZ   PHE  79           HZ       PHE  79  -7.038   7.970  -3.061
  563    H    LYS  80           H        LYS  80  -9.451   9.159   3.438
  564    HA   LYS  80           HA       LYS  80  -9.652  11.115   1.335
  565   1HB   LYS  80          1HB       LYS  80 -11.467   9.837   3.279
  566   2HB   LYS  80          2HB       LYS  80 -11.889  11.491   2.840
  567   1HG   LYS  80          1HG       LYS  80 -11.325  10.504   0.385
  568   2HG   LYS  80          2HG       LYS  80 -11.893   9.032   1.173
  569   1HD   LYS  80          1HD       LYS  80 -13.931   9.844   0.493
  570   2HD   LYS  80          2HD       LYS  80 -13.809  10.723   2.017
  571   1HE   LYS  80          1HE       LYS  80 -13.127  12.716   0.950
  572   2HE   LYS  80          2HE       LYS  80 -12.682  11.872  -0.533
  573   1HZ   LYS  80          3HZ       LYS  80 -15.463  11.724   0.371
  574   2HZ   LYS  80          2HZ       LYS  80 -14.929  13.170  -0.340
  575   3HZ   LYS  80          1HZ       LYS  80 -14.837  11.710  -1.204
  576    H    GLU  81           H        GLU  81  -8.382  11.118   4.426
  577    HA   GLU  81           HA       GLU  81  -9.101  13.959   4.967
  578   1HB   GLU  81          1HB       GLU  81  -7.367  12.118   6.643
  579   2HB   GLU  81          2HB       GLU  81  -8.137  13.620   7.152
  580   1HG   GLU  81          1HG       GLU  81 -10.134  11.852   6.071
  581   2HG   GLU  81          2HG       GLU  81  -9.204  10.999   7.304
  582    H    GLY  82           H        GLY  82  -6.376  11.852   4.287
  583   1HA   GLY  82          1HA       GLY  82  -4.361  13.933   4.358
  584   2HA   GLY  82          2HA       GLY  82  -4.165  12.335   3.621
  585    H    VAL  83           H        VAL  83  -6.283  12.362   1.832
  586    HA   VAL  83           HA       VAL  83  -5.204  13.709  -0.427
  587    HB   VAL  83           HB       VAL  83  -8.079  12.858   0.050
  588   1HG1  VAL  83          3HG1      VAL  83  -6.853  14.263  -2.094
  589   2HG1  VAL  83          2HG1      VAL  83  -7.174  12.624  -2.663
  590   3HG1  VAL  83          1HG1      VAL  83  -8.489  13.610  -2.025
  591   1HG2  VAL  83          2HG2      VAL  83  -5.844  11.245   0.063
  592   2HG2  VAL  83          1HG2      VAL  83  -7.468  10.712  -0.371
  593   3HG2  VAL  83          3HG2      VAL  83  -6.331  11.189  -1.629
  594    H    ALA  84           H        ALA  84  -7.689  14.669   1.903
  595    HA   ALA  84           HA       ALA  84  -8.110  17.228   0.474
  596   1HB   ALA  84          3HB       ALA  84  -9.614  15.589   2.375
  597   2HB   ALA  84          2HB       ALA  84  -9.631  17.304   2.788
  598   3HB   ALA  84          1HB       ALA  84 -10.197  16.772   1.205
  599    H    SER  85           H        SER  85  -5.987  16.102   2.828
  600    HA   SER  85           HA       SER  85  -5.959  18.699   4.280
  601   1HB   SER  85          1HB       SER  85  -4.608  16.047   4.826
  602   2HB   SER  85          2HB       SER  85  -4.281  17.506   5.757
  603    HG   SER  85           HG       SER  85  -6.593  17.584   6.134
  604    H    GLY  86           H        GLY  86  -4.259  16.982   1.817
  605   1HA   GLY  86          1HA       GLY  86  -2.504  17.806   0.457
  606   2HA   GLY  86          2HA       GLY  86  -2.414  19.230   1.501
  607    H    ASN  87           H        ASN  87  -2.376  16.225   3.165
  608    HA   ASN  87           HA       ASN  87   0.535  15.894   3.099
  609   1HB   ASN  87          1HB       ASN  87  -0.367  17.778   4.860
  610   2HB   ASN  87          2HB       ASN  87  -0.453  16.326   5.856
  611   1HD2  ASN  87          2HD2      ASN  87   3.218  17.644   4.569
  612   2HD2  ASN  87          1HD2      ASN  87   1.817  18.178   3.774
  613    H    LEU  88           H        LEU  88  -0.915  13.936   2.293
  614    HA   LEU  88           HA       LEU  88  -2.234  12.305   4.245
  615   1HB   LEU  88          1HB       LEU  88  -2.172  12.212   1.586
  616   2HB   LEU  88          2HB       LEU  88  -0.888  11.043   1.898
  617    HG   LEU  88           HG       LEU  88  -3.135  10.583   3.667
  618   1HD1  LEU  88          1HD1      LEU  88  -3.833  11.401   1.009
  619   2HD1  LEU  88          3HD1      LEU  88  -4.159   9.676   1.168
  620   3HD1  LEU  88          2HD1      LEU  88  -4.897  10.818   2.288
  621   1HD2  LEU  88          3HD2      LEU  88  -1.149   9.100   2.736
  622   2HD2  LEU  88          2HD2      LEU  88  -2.707   8.363   3.114
  623   3HD2  LEU  88          1HD2      LEU  88  -2.296   8.754   1.443
  624    H    ASN  89           H        ASN  89  -1.225  11.486   5.990
  625    HA   ASN  89           HA       ASN  89   1.123   9.784   5.646
  626   1HB   ASN  89          1HB       ASN  89   2.451  11.080   7.383
  627   2HB   ASN  89          2HB       ASN  89   2.318  11.869   5.811
  628   1HD2  ASN  89          2HD2      ASN  89   1.437  14.600   8.036
  629   2HD2  ASN  89          1HD2      ASN  89   2.798  13.822   7.386
  630    H    THR  90           H        THR  90  -0.469   8.275   6.516
  631    HA   THR  90           HA       THR  90  -0.760   8.592   9.476
  632    HB   THR  90           HB       THR  90  -2.912   9.130   8.407
  633    HG1  THR  90           HG1      THR  90  -3.024   8.049  10.355
  634   1HG2  THR  90          1HG2      THR  90  -2.157   6.887   6.747
  635   2HG2  THR  90          3HG2      THR  90  -3.756   6.625   7.442
  636   3HG2  THR  90          2HG2      THR  90  -3.435   8.076   6.492
  637    H    MET  91           H        MET  91  -0.583   6.693  10.663
  638    HA   MET  91           HA       MET  91  -0.094   4.165   9.146
  639   1HB   MET  91          1HB       MET  91   1.725   3.672  10.838
  640   2HB   MET  91          2HB       MET  91   2.109   4.980   9.718
  641   1HG   MET  91          2HG       MET  91   1.966   6.601  11.344
  642   2HG   MET  91          1HG       MET  91   0.730   5.730  12.251
  643   1HE   MET  91          2HE       MET  91   4.061   6.595  11.454
  644   2HE   MET  91          1HE       MET  91   5.113   5.969  12.721
  645   3HE   MET  91          3HE       MET  91   4.775   4.993  11.284
  646    H    PHE  92           H        PHE  92  -0.575   2.258  10.423
  647    HA   PHE  92           HA       PHE  92  -1.624   2.456  13.103
  648   1HB   PHE  92          1HB       PHE  92  -3.993   1.766  12.398
  649   2HB   PHE  92          2HB       PHE  92  -3.563   3.459  12.185
  650    HD1  PHE  92           HD2      PHE  92  -2.968   4.320   9.907
  651    HD2  PHE  92           HD1      PHE  92  -4.444   0.337  10.510
  652    HE1  PHE  92           HE2      PHE  92  -3.515   4.153   7.491
  653    HE2  PHE  92           HE1      PHE  92  -4.988   0.171   8.100
  654    HZ   PHE  92           HZ       PHE  92  -4.534   2.076   6.591
  655    H    GLU  93           H        GLU  93  -3.156   0.286  13.338
  656    HA   GLU  93           HA       GLU  93  -1.478  -1.891  12.154
  657   1HB   GLU  93          1HB       GLU  93  -2.237  -1.334  14.867
  658   2HB   GLU  93          2HB       GLU  93  -3.009  -2.842  14.375
  659   1HG   GLU  93          1HG       GLU  93  -0.486  -3.137  13.327
  660   2HG   GLU  93          2HG       GLU  93  -0.159  -2.253  14.817
  661    H    TYR  94           H        TYR  94  -2.592  -2.755  10.478
  662    HA   TYR  94           HA       TYR  94  -5.540  -3.105  10.824
  663   1HB   TYR  94          1HB       TYR  94  -4.225  -1.716   8.845
  664   2HB   TYR  94          2HB       TYR  94  -4.460  -3.294   8.093
  665    HD1  TYR  94           HD1      TYR  94  -6.270  -0.609   9.966
  666    HD2  TYR  94           HD2      TYR  94  -6.559  -3.901   7.222
  667    HE1  TYR  94           HE1      TYR  94  -8.654  -0.060   9.561
  668    HE2  TYR  94           HE2      TYR  94  -8.941  -3.352   6.816
  669    HH   TYR  94           HH       TYR  94 -10.404  -0.431   8.122
  670    H    THR  95           H        THR  95  -6.330  -5.008   9.384
  671    HA   THR  95           HA       THR  95  -4.357  -7.219   9.281
  672    HB   THR  95           HB       THR  95  -7.022  -7.399  10.723
  673    HG1  THR  95           HG1      THR  95  -5.820  -7.469  12.543
  674   1HG2  THR  95          3HG2      THR  95  -5.963  -9.418   9.379
  675   2HG2  THR  95          2HG2      THR  95  -4.896  -9.508  10.780
  676   3HG2  THR  95          1HG2      THR  95  -6.639  -9.672  10.988
  677    H    PHE  96           H        PHE  96  -4.520  -7.814   7.173
  678    HA   PHE  96           HA       PHE  96  -7.072  -7.504   5.737
  679   1HB   PHE  96          1HB       PHE  96  -4.467  -8.731   4.783
  680   2HB   PHE  96          2HB       PHE  96  -5.827  -8.252   3.770
  681    HD1  PHE  96           HD1      PHE  96  -6.369  -5.682   5.595
  682    HD2  PHE  96           HD2      PHE  96  -2.935  -7.254   3.547
  683    HE1  PHE  96           HE1      PHE  96  -5.429  -3.396   5.417
  684    HE2  PHE  96           HE2      PHE  96  -2.003  -4.969   3.362
  685    HZ   PHE  96           HZ       PHE  96  -3.244  -3.036   4.305
  686    H    ASP  97           H        ASP  97  -8.607  -9.059   5.883
  687    HA   ASP  97           HA       ASP  97  -7.768 -11.898   5.749
  688   1HB   ASP  97          1HB       ASP  97  -7.880 -11.380   8.163
  689   2HB   ASP  97          2HB       ASP  97  -9.528 -10.782   7.960
  690    H    TYR  98           H        TYR  98  -8.982 -10.474   3.710
  691    HA   TYR  98           HA       TYR  98 -11.883 -10.883   3.834
  692   1HB   TYR  98          1HB       TYR  98 -11.860 -10.184   1.472
  693   2HB   TYR  98          2HB       TYR  98 -10.878  -9.075   2.424
  694    HD1  TYR  98           HD1      TYR  98 -10.666 -12.117   0.268
  695    HD2  TYR  98           HD2      TYR  98  -8.599  -8.716   1.882
  696    HE1  TYR  98           HE1      TYR  98  -8.711 -12.632  -1.161
  697    HE2  TYR  98           HE2      TYR  98  -6.635  -9.228   0.444
  698    HH   TYR  98           HH       TYR  98  -5.729 -11.489  -0.683
  699    H    GLN  99           H        GLN  99 -12.943 -12.709   3.093
  700    HA   GLN  99           HA       GLN  99 -12.681 -15.195   3.147
  701   1HB   GLN  99          1HB       GLN  99 -13.227 -15.689   0.718
  702   2HB   GLN  99          2HB       GLN  99 -14.270 -14.512   1.514
  703   1HG   GLN  99          1HG       GLN  99 -12.754 -12.700   0.573
  704   2HG   GLN  99          2HG       GLN  99 -11.999 -13.959  -0.408
  705   1HE2  GLN  99          2HE2      GLN  99 -15.884 -12.877  -1.228
  706   2HE2  GLN  99          1HE2      GLN  99 -15.248 -12.575   0.316
  707    H    MET 100           H        MET 100 -10.236 -15.102   3.742
  708    HA   MET 100           HA       MET 100  -8.825 -16.767   1.804
  709   1HB   MET 100          1HB       MET 100  -8.406 -14.498   0.885
  710   2HB   MET 100          2HB       MET 100  -7.760 -13.989   2.443
  711   1HG   MET 100          2HG       MET 100  -5.989 -15.695   2.279
  712   2HG   MET 100          1HG       MET 100  -6.640 -16.230   0.731
  713   1HE   MET 100          1HE       MET 100  -5.849 -13.403   2.818
  714   2HE   MET 100          3HE       MET 100  -4.220 -13.043   2.228
  715   3HE   MET 100          2HE       MET 100  -5.579 -12.029   1.750
  716    H    THR 101           H        THR 101  -7.046 -14.666   4.008
  717    HA   THR 101           HA       THR 101  -7.093 -16.690   6.145
  718    HB   THR 101           HB       THR 101  -4.408 -16.269   5.997
  719    HG1  THR 101           HG1      THR 101  -4.183 -15.354   4.095
  720   1HG2  THR 101          1HG2      THR 101  -5.639 -18.434   6.220
  721   2HG2  THR 101          3HG2      THR 101  -5.897 -18.422   4.476
  722   3HG2  THR 101          2HG2      THR 101  -4.261 -18.534   5.123
  723    HA   PRO 102           HA       PRO 102  -6.572 -13.054   8.571
  724   1HB   PRO 102          1HB       PRO 102  -5.269 -14.054  10.777
  725   2HB   PRO 102          2HB       PRO 102  -6.989 -14.323  10.447
  726   1HG   PRO 102          1HG       PRO 102  -4.705 -16.220  10.165
  727   2HG   PRO 102          2HG       PRO 102  -6.418 -16.562  10.464
  728   1HD   PRO 102          1HD       PRO 102  -5.089 -16.812   7.978
  729   2HD   PRO 102          2HD       PRO 102  -6.848 -16.821   8.226
  730    H    THR 103           H        THR 103  -5.144 -11.484   7.927
  731    HA   THR 103           HA       THR 103  -2.223 -12.057   8.232
  732    HB   THR 103           HB       THR 103  -3.725 -10.648   6.021
  733    HG1  THR 103           HG1      THR 103  -2.975 -12.939   6.068
  734   1HG2  THR 103          3HG2      THR 103  -0.883 -10.170   6.915
  735   2HG2  THR 103          2HG2      THR 103  -1.322 -10.023   5.213
  736   3HG2  THR 103          1HG2      THR 103  -2.097  -8.991   6.416
  737    H    LYS 104           H        LYS 104  -1.197 -10.683   9.572
  738    HA   LYS 104           HA       LYS 104  -2.598  -8.157  10.334
  739   1HB   LYS 104          1HB       LYS 104  -1.745 -10.018  12.057
  740   2HB   LYS 104          2HB       LYS 104  -0.200  -9.204  11.815
  741   1HG   LYS 104          1HG       LYS 104  -0.860  -7.662  13.314
  742   2HG   LYS 104          2HG       LYS 104  -2.073  -7.135  12.146
  743   1HD   LYS 104          1HD       LYS 104  -3.458  -9.156  13.085
  744   2HD   LYS 104          2HD       LYS 104  -2.380  -9.010  14.473
  745   1HE   LYS 104          1HE       LYS 104  -3.439  -6.433  13.540
  746   2HE   LYS 104          2HE       LYS 104  -4.686  -7.542  14.106
  747   1HZ   LYS 104          1HZ       LYS 104  -2.972  -7.888  16.037
  748   2HZ   LYS 104          3HZ       LYS 104  -2.464  -6.336  15.580
  749   3HZ   LYS 104          2HZ       LYS 104  -4.072  -6.592  16.061
  750    H    VAL 105           H        VAL 105  -1.412  -6.180  10.056
  751    HA   VAL 105           HA       VAL 105   1.380  -6.396   9.078
  752    HB   VAL 105           HB       VAL 105   0.946  -5.220   7.006
  753   1HG1  VAL 105          3HG1      VAL 105   0.642  -7.744   7.130
  754   2HG1  VAL 105          2HG1      VAL 105  -1.094  -7.457   7.230
  755   3HG1  VAL 105          1HG1      VAL 105  -0.201  -6.967   5.792
  756   1HG2  VAL 105          2HG2      VAL 105  -1.668  -4.733   8.259
  757   2HG2  VAL 105          1HG2      VAL 105  -0.842  -3.828   6.992
  758   3HG2  VAL 105          3HG2      VAL 105  -1.796  -5.250   6.577
  759    H    LYS 106           H        LYS 106   2.533  -4.499   9.447
  760    HA   LYS 106           HA       LYS 106   1.098  -2.367  10.917
  761   1HB   LYS 106          1HB       LYS 106   3.382  -1.291  11.081
  762   2HB   LYS 106          2HB       LYS 106   3.308  -2.885  11.824
  763   1HG   LYS 106          1HG       LYS 106   4.081  -2.879   8.971
  764   2HG   LYS 106          2HG       LYS 106   5.235  -2.109  10.055
  765   1HD   LYS 106          1HD       LYS 106   4.285  -4.528  11.279
  766   2HD   LYS 106          2HD       LYS 106   4.833  -4.897   9.645
  767   1HE   LYS 106          1HE       LYS 106   7.013  -4.158  10.067
  768   2HE   LYS 106          2HE       LYS 106   6.511  -3.143  11.418
  769   1HZ   LYS 106          2HZ       LYS 106   6.122  -6.048  11.589
  770   2HZ   LYS 106          1HZ       LYS 106   7.676  -5.410  11.845
  771   3HZ   LYS 106          3HZ       LYS 106   6.386  -4.920  12.832
  772    H    VAL 107           H        VAL 107   0.077  -0.896   9.636
  773    HA   VAL 107           HA       VAL 107   0.947  -0.742   6.809
  774    HB   VAL 107           HB       VAL 107  -1.272   0.387   6.506
  775   1HG1  VAL 107          1HG1      VAL 107  -1.306  -2.137   8.148
  776   2HG1  VAL 107          3HG1      VAL 107  -2.703  -1.493   7.288
  777   3HG1  VAL 107          2HG1      VAL 107  -1.278  -2.014   6.388
  778   1HG2  VAL 107          2HG2      VAL 107  -0.924   0.785   9.318
  779   2HG2  VAL 107          1HG2      VAL 107  -2.126   1.486   8.251
  780   3HG2  VAL 107          3HG2      VAL 107  -2.434  -0.066   9.025
  781    H    HIS 108           H        HIS 108   1.147   1.311   5.766
  782    HA   HIS 108           HA       HIS 108   1.212   3.790   7.307
  783   1HB   HIS 108          1HB       HIS 108   3.459   2.722   7.828
  784   2HB   HIS 108          2HB       HIS 108   3.836   2.866   6.108
  785    HD1  HIS 108           HD1      HIS 108   5.728   4.641   6.855
  786    HD2  HIS 108           HD2      HIS 108   1.782   5.822   7.498
  787    HE1  HIS 108           HE1      HIS 108   5.791   7.136   7.272
  788    H    MET 109           H        MET 109  -0.010   4.839   5.801
  789    HA   MET 109           HA       MET 109   0.849   4.641   2.933
  790   1HB   MET 109          1HB       MET 109  -1.754   5.896   3.679
  791   2HB   MET 109          2HB       MET 109  -1.355   4.878   2.302
  792   1HG   MET 109          2HG       MET 109  -1.386   2.879   3.702
  793   2HG   MET 109          1HG       MET 109  -1.590   3.851   5.155
  794   1HE   MET 109          2HE       MET 109  -3.093   5.613   5.294
  795   2HE   MET 109          1HE       MET 109  -4.617   5.853   4.443
  796   3HE   MET 109          3HE       MET 109  -4.542   4.767   5.838
  797    H    LYS 110           H        LYS 110   1.241   6.639   1.713
  798    HA   LYS 110           HA       LYS 110   0.911   9.129   3.366
  799   1HB   LYS 110          1HB       LYS 110   3.345   7.971   3.172
  800   2HB   LYS 110          2HB       LYS 110   3.379   8.965   1.717
  801   1HG   LYS 110          1HG       LYS 110   3.167  10.957   2.934
  802   2HG   LYS 110          2HG       LYS 110   2.493  10.134   4.339
  803   1HD   LYS 110          1HD       LYS 110   4.584   9.294   5.010
  804   2HD   LYS 110          2HD       LYS 110   5.297   9.543   3.416
  805   1HE   LYS 110          1HE       LYS 110   4.292  12.036   4.528
  806   2HE   LYS 110          2HE       LYS 110   5.473  11.284   5.599
  807   1HZ   LYS 110          1HZ       LYS 110   5.862  11.815   2.703
  808   2HZ   LYS 110          3HZ       LYS 110   6.535  12.720   3.971
  809   3HZ   LYS 110          2HZ       LYS 110   7.000  11.101   3.743
  810    H    LYS 111           H        LYS 111   1.676  11.059   1.732
  811    HA   LYS 111           HA       LYS 111  -0.092  10.723  -0.611
  812   1HB   LYS 111          1HB       LYS 111  -0.383  12.753   0.732
  813   2HB   LYS 111          2HB       LYS 111   1.317  13.166   0.514
  814   1HG   LYS 111          1HG       LYS 111   0.986  13.393  -1.899
  815   2HG   LYS 111          2HG       LYS 111  -0.696  12.886  -1.736
  816   1HD   LYS 111          1HD       LYS 111   0.465  15.317  -0.347
  817   2HD   LYS 111          2HD       LYS 111  -0.386  15.386  -1.890
  818   1HE   LYS 111          1HE       LYS 111  -1.934  13.845  -0.008
  819   2HE   LYS 111          2HE       LYS 111  -1.528  15.409   0.699
  820   1HZ   LYS 111          2HZ       LYS 111  -2.211  16.248  -1.664
  821   2HZ   LYS 111          1HZ       LYS 111  -3.105  14.804  -1.695
  822   3HZ   LYS 111          3HZ       LYS 111  -3.388  15.949  -0.476
  823    H    ALA 112           H        ALA 112   1.065   9.589  -2.142
  824    HA   ALA 112           HA       ALA 112   3.799   9.593  -2.652
  825   1HB   ALA 112          3HB       ALA 112   1.717   8.376  -3.796
  826   2HB   ALA 112          2HB       ALA 112   1.983   9.621  -5.018
  827   3HB   ALA 112          1HB       ALA 112   3.279   8.498  -4.605
  828    H    LEU 113           H        LEU 113   5.199  11.174  -3.234
  829    HA   LEU 113           HA       LEU 113   4.159  13.783  -4.093
  830   1HB   LEU 113          1HB       LEU 113   6.912  12.737  -3.420
  831   2HB   LEU 113          2HB       LEU 113   6.670  14.348  -4.096
  832    HG   LEU 113           HG       LEU 113   4.792  13.903  -1.951
  833   1HD1  LEU 113          3HD1      LEU 113   7.531  12.903  -1.544
  834   2HD1  LEU 113          2HD1      LEU 113   7.011  14.079  -0.335
  835   3HD1  LEU 113          1HD1      LEU 113   6.074  12.606  -0.597
  836   1HD2  LEU 113          1HD2      LEU 113   6.771  15.871  -2.882
  837   2HD2  LEU 113          3HD2      LEU 113   5.191  16.133  -2.145
  838   3HD2  LEU 113          2HD2      LEU 113   6.599  15.825  -1.128
  839    H    SER 114           H        SER 114   5.406  10.946  -5.611
  840    HA   SER 114           HA       SER 114   6.670  11.976  -7.907
  841   1HB   SER 114          1HB       SER 114   5.023   9.520  -7.381
  842   2HB   SER 114          2HB       SER 114   5.525   9.889  -9.029
  843    HG   SER 114           HG       SER 114   7.695  10.138  -8.045
  844    H    GLY 115           H        GLY 115   3.296  11.961  -7.014
  845   1HA   GLY 115          1HA       GLY 115   2.655  13.872  -9.100
  846   2HA   GLY 115          2HA       GLY 115   1.952  12.285  -9.420
  847    H    ASP 116           H        ASP 116   2.444  13.597  -6.182
  848    HA   ASP 116           HA       ASP 116   0.888  14.043  -4.481
  849   1HB   ASP 116          1HB       ASP 116   0.330  15.809  -6.337
  850   2HB   ASP 116          2HB       ASP 116  -1.097  14.809  -6.609
  851    H    SER 117           H        SER 117   0.968  11.379  -5.679
  852    HA   SER 117           HA       SER 117  -1.819  10.486  -5.857
  853   1HB   SER 117          1HB       SER 117   0.759   9.455  -6.594
  854   2HB   SER 117          2HB       SER 117  -0.062   8.272  -5.580
  855    HG   SER 117           HG       SER 117  -0.703   9.248  -8.099
  856    H    TYR 118           H        TYR 118  -1.669   8.037  -4.526
  857    HA   TYR 118           HA       TYR 118  -1.155   8.714  -1.662
  858   1HB   TYR 118          1HB       TYR 118  -3.688   7.358  -2.615
  859   2HB   TYR 118          2HB       TYR 118  -3.380   8.020  -1.008
  860    HD1  TYR 118           HD2      TYR 118  -2.939  10.587  -0.883
  861    HD2  TYR 118           HD1      TYR 118  -4.712   8.590  -4.244
  862    HE1  TYR 118           HE2      TYR 118  -3.886  12.732  -1.666
  863    HE2  TYR 118           HE1      TYR 118  -5.655  10.718  -5.021
  864    HH   TYR 118           HH       TYR 118  -4.656  13.586  -4.232
  865    H    TRP 119           H        TRP 119   0.291   7.067  -1.064
  866    HA   TRP 119           HA       TRP 119  -0.329   4.398  -2.156
  867   1HB   TRP 119          1HB       TRP 119   2.091   3.841  -1.852
  868   2HB   TRP 119          2HB       TRP 119   1.713   4.981  -3.129
  869    HD1  TRP 119           HD1      TRP 119   3.080   7.138  -3.094
  870    HE1  TRP 119           HE1      TRP 119   4.651   8.287  -1.409
  871    HE3  TRP 119           HE3      TRP 119   2.317   4.137   0.804
  872    HZ2  TRP 119           HZ2      TRP 119   5.497   7.906   1.308
  873    HZ3  TRP 119           HZ3      TRP 119   3.535   4.475   2.967
  874    HH2  TRP 119           HH2      TRP 119   5.107   6.365   3.211
  875    H    VAL 120           H        VAL 120  -0.389   2.628  -0.957
  876    HA   VAL 120           HA       VAL 120  -0.350   3.038   1.997
  877    HB   VAL 120           HB       VAL 120  -1.913   1.028   0.325
  878   1HG1  VAL 120          3HG1      VAL 120  -1.194   1.022   3.077
  879   2HG1  VAL 120          2HG1      VAL 120  -2.913   1.403   2.982
  880   3HG1  VAL 120          1HG1      VAL 120  -2.295  -0.072   2.239
  881   1HG2  VAL 120          3HG2      VAL 120  -2.578   3.709   1.486
  882   2HG2  VAL 120          2HG2      VAL 120  -3.053   3.013  -0.060
  883   3HG2  VAL 120          1HG2      VAL 120  -3.830   2.474   1.427
  884    H    PHE 121           H        PHE 121   1.450   2.065   2.883
  885    HA   PHE 121           HA       PHE 121   2.626  -0.258   1.462
  886   1HB   PHE 121          1HB       PHE 121   3.781   1.327   3.788
  887   2HB   PHE 121          2HB       PHE 121   4.602   0.029   2.923
  888    HD1  PHE 121           HD1      PHE 121   3.133   1.107   0.198
  889    HD2  PHE 121           HD2      PHE 121   5.745   2.784   3.170
  890    HE1  PHE 121           HE1      PHE 121   3.978   2.735  -1.462
  891    HE2  PHE 121           HE2      PHE 121   6.587   4.413   1.501
  892    HZ   PHE 121           HZ       PHE 121   5.697   4.383  -0.811
  893    H    VAL 122           H        VAL 122   2.315  -2.288   2.260
  894    HA   VAL 122           HA       VAL 122   1.399  -2.429   5.083
  895    HB   VAL 122           HB       VAL 122   0.421  -3.786   2.617
  896   1HG1  VAL 122          3HG1      VAL 122   1.044  -5.270   5.124
  897   2HG1  VAL 122          2HG1      VAL 122  -0.567  -5.517   4.469
  898   3HG1  VAL 122          1HG1      VAL 122   0.849  -5.875   3.483
  899   1HG2  VAL 122          2HG2      VAL 122  -0.549  -2.073   4.549
  900   2HG2  VAL 122          1HG2      VAL 122  -1.533  -2.995   3.412
  901   3HG2  VAL 122          3HG2      VAL 122  -1.229  -3.630   5.028
  902    H    LYS 123           H        LYS 123   2.970  -3.133   6.306
  903    HA   LYS 123           HA       LYS 123   5.006  -4.999   5.156
  904   1HB   LYS 123          1HB       LYS 123   5.408  -2.828   6.696
  905   2HB   LYS 123          2HB       LYS 123   5.211  -4.036   7.965
  906   1HG   LYS 123          1HG       LYS 123   7.165  -5.093   7.449
  907   2HG   LYS 123          2HG       LYS 123   6.965  -4.827   5.714
  908   1HD   LYS 123          1HD       LYS 123   7.734  -2.585   5.858
  909   2HD   LYS 123          2HD       LYS 123   7.573  -2.569   7.614
  910   1HE   LYS 123          1HE       LYS 123   9.530  -4.308   6.089
  911   2HE   LYS 123          2HE       LYS 123   9.942  -2.788   6.882
  912   1HZ   LYS 123          2HZ       LYS 123   8.636  -4.168   8.817
  913   2HZ   LYS 123          1HZ       LYS 123   9.514  -5.389   8.024
  914   3HZ   LYS 123          3HZ       LYS 123  10.323  -4.045   8.666
  915    H    ARG 124           H        ARG 124   4.683  -7.166   5.494
  916    HA   ARG 124           HA       ARG 124   2.544  -8.076   7.197
  917   1HB   ARG 124          1HB       ARG 124   3.550  -9.329   5.212
  918   2HB   ARG 124          2HB       ARG 124   4.886  -9.767   6.280
  919   1HG   ARG 124          1HG       ARG 124   3.460 -10.984   7.742
  920   2HG   ARG 124          2HG       ARG 124   2.006 -10.273   7.039
  921   1HD   ARG 124          1HD       ARG 124   1.888 -11.962   5.560
  922   2HD   ARG 124          2HD       ARG 124   3.481 -11.531   4.937
  923    HE   ARG 124           HE       ARG 124   3.473 -13.138   7.408
  924   1HH1  ARG 124          1HH2      ARG 124   5.696 -12.910   5.325
  925   2HH1  ARG 124          2HH2      ARG 124   5.600 -14.465   4.567
  926   1HH2  ARG 124          2HH1      ARG 124   2.466 -15.195   5.857
  927   2HH2  ARG 124          1HH1      ARG 124   3.772 -15.760   4.872
  928    H    VAL 125           H        VAL 125   2.528  -8.203   9.347
  929    HA   VAL 125           HA       VAL 125   5.030  -7.932  10.862
  930    HB   VAL 125           HB       VAL 125   2.496  -8.522  12.314
  931   1HG1  VAL 125          2HG1      VAL 125   4.917  -7.638  13.042
  932   2HG1  VAL 125          1HG1      VAL 125   4.161  -6.083  12.691
  933   3HG1  VAL 125          3HG1      VAL 125   3.450  -7.157  13.896
  934   1HG2  VAL 125          2HG2      VAL 125   2.800  -6.257  10.386
  935   2HG2  VAL 125          1HG2      VAL 125   1.344  -7.109  10.898
  936   3HG2  VAL 125          3HG2      VAL 125   2.075  -5.904  11.955
  937    H2   HC4  69           H2       HC4  69  -6.702  -4.896   3.102
  938    H3   HC4  69           H3       HC4  69  -7.663  -7.145   1.265
  939    H2'  HC4  69           H2'      HC4  69  -5.944  -7.775  -0.410
  940    H3'  HC4  69           H3'      HC4  69  -3.681  -7.548  -1.394
  941    H5'  HC4  69           H5'      HC4  69  -2.774  -4.378   1.373
  942    H6'  HC4  69           H6'      HC4  69  -5.029  -4.619   2.370
   
  No H/Q in entry =         942
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1  12.754  -1.384  14.295
    2   2H    MET   1           H3       MET   1  11.628  -1.215  15.552
    3   3H    MET   1           H2       MET   1  13.063  -0.307  15.573
    4    HA   MET   1           HA       MET   1  14.387  -2.244  15.920
    5   1HB   MET   1          1HB       MET   1  12.636  -1.171  17.759
    6   2HB   MET   1          2HB       MET   1  12.258  -2.893  17.846
    7   1HG   MET   1          2HG       MET   1  15.142  -2.311  17.734
    8   2HG   MET   1          1HG       MET   1  14.341  -1.680  19.173
    9   1HE   MET   1          2HE       MET   1  15.082  -2.596  20.771
   10   2HE   MET   1          1HE       MET   1  13.946  -3.762  21.444
   11   3HE   MET   1          3HE       MET   1  15.599  -4.256  21.050
   12    H    GLU   2           H        GLU   2  14.352  -4.618  16.405
   13    HA   GLU   2           HA       GLU   2  13.839  -6.799  15.735
   14   1HB   GLU   2          1HB       GLU   2  11.885  -6.491  17.154
   15   2HB   GLU   2          2HB       GLU   2  11.034  -5.648  15.861
   16   1HG   GLU   2          1HG       GLU   2  10.639  -7.587  14.668
   17   2HG   GLU   2          2HG       GLU   2  12.088  -8.384  15.281
   18    H    HIS   3           H        HIS   3  11.032  -5.657  13.933
   19    HA   HIS   3           HA       HIS   3  11.978  -6.835  11.503
   20   1HB   HIS   3          1HB       HIS   3   9.658  -5.217  12.351
   21   2HB   HIS   3          2HB       HIS   3  10.097  -5.042  10.652
   22    HD1  HIS   3           HD1      HIS   3   8.050  -6.426   9.837
   23    HD2  HIS   3           HD2      HIS   3  10.588  -8.529  12.389
   24    HE1  HIS   3           HE1      HIS   3   7.356  -8.857   9.694
   25    H    VAL   4           H        VAL   4  11.977  -5.312   9.415
   26    HA   VAL   4           HA       VAL   4  14.257  -3.543   9.776
   27    HB   VAL   4           HB       VAL   4  13.555  -5.088   7.733
   28   1HG1  VAL   4          3HG1      VAL   4  11.523  -3.298   7.490
   29   2HG1  VAL   4          2HG1      VAL   4  12.721  -2.570   6.423
   30   3HG1  VAL   4          1HG1      VAL   4  12.178  -4.225   6.140
   31   1HG2  VAL   4          2HG2      VAL   4  15.289  -2.823   8.103
   32   2HG2  VAL   4          1HG2      VAL   4  15.542  -4.258   7.111
   33   3HG2  VAL   4          3HG2      VAL   4  14.712  -2.855   6.437
   34    H    ALA   5           H        ALA   5  13.600  -1.493   7.907
   35    HA   ALA   5           HA       ALA   5  12.082   0.284   9.684
   36   1HB   ALA   5          3HB       ALA   5  13.629   0.643   7.117
   37   2HB   ALA   5          2HB       ALA   5  12.635   1.943   7.774
   38   3HB   ALA   5          1HB       ALA   5  13.988   1.308   8.710
   39    H    PHE   6           H        PHE   6   9.959   0.955   9.325
   40    HA   PHE   6           HA       PHE   6   8.394  -0.339   7.265
   41   1HB   PHE   6          1HB       PHE   6   7.604   0.842   9.505
   42   2HB   PHE   6          2HB       PHE   6   7.505   2.262   8.464
   43    HD1  PHE   6           HD2      PHE   6   6.944   0.276   5.938
   44    HD2  PHE   6           HD1      PHE   6   5.112   0.967   9.772
   45    HE1  PHE   6           HE2      PHE   6   4.787  -0.547   5.058
   46    HE2  PHE   6           HE1      PHE   6   2.955   0.141   8.872
   47    HZ   PHE   6           HZ       PHE   6   2.806  -0.620   6.520
   48    H    GLY   7           H        GLY   7   9.437   3.065   7.718
   49   1HA   GLY   7          1HA       GLY   7   8.753   4.005   5.128
   50   2HA   GLY   7          2HA       GLY   7  10.064   4.673   6.112
   51    H    SER   8           H        SER   8  11.330   1.992   6.293
   52    HA   SER   8           HA       SER   8  13.130   0.944   5.226
   53   1HB   SER   8          1HB       SER   8  10.674   0.415   3.947
   54   2HB   SER   8          2HB       SER   8  11.861   0.627   2.662
   55    HG   SER   8           HG       SER   8  12.647  -1.236   3.200
   56    H    GLU   9           H        GLU   9  13.890   0.765   2.668
   57    HA   GLU   9           HA       GLU   9  15.564   3.009   2.229
   58   1HB   GLU   9          1HB       GLU   9  15.016   0.433   1.078
   59   2HB   GLU   9          2HB       GLU   9  15.137   1.615  -0.223
   60   1HG   GLU   9          1HG       GLU   9  17.375   0.992   0.067
   61   2HG   GLU   9          2HG       GLU   9  17.268   2.435   1.076
   62    H    ASP  10           H        ASP  10  13.953   4.858   2.258
   63    HA   ASP  10           HA       ASP  10  12.208   6.196   1.261
   64   1HB   ASP  10          1HB       ASP  10  14.503   5.972  -0.700
   65   2HB   ASP  10          2HB       ASP  10  13.193   7.138  -0.889
   66    H    ILE  11           H        ILE  11  10.616   4.373   0.978
   67    HA   ILE  11           HA       ILE  11  10.507   2.759  -1.313
   68    HB   ILE  11           HB       ILE  11   7.952   3.704  -0.324
   69   1HG1  ILE  11          1HG1      ILE  11   9.145   3.732   1.811
   70   2HG1  ILE  11          2HG1      ILE  11   8.045   2.363   1.740
   71   1HG2  ILE  11          3HG2      ILE  11   8.655   1.714  -1.861
   72   2HG2  ILE  11          2HG2      ILE  11   8.899   0.896  -0.318
   73   3HG2  ILE  11          1HG2      ILE  11   7.312   1.537  -0.735
   74   1HD1  ILE  11          3HD1      ILE  11  10.218   1.202   0.674
   75   2HD1  ILE  11          2HD1      ILE  11  11.010   2.391   1.706
   76   3HD1  ILE  11          1HD1      ILE  11   9.887   1.223   2.403
   77    H    GLU  12           H        GLU  12   8.362   5.527  -0.748
   78    HA   GLU  12           HA       GLU  12   7.257   5.824  -3.190
   79   1HB   GLU  12          1HB       GLU  12   7.284   8.334  -2.803
   80   2HB   GLU  12          2HB       GLU  12   6.678   7.368  -1.457
   81   1HG   GLU  12          1HG       GLU  12   8.229   8.330  -0.141
   82   2HG   GLU  12          2HG       GLU  12   9.473   7.522  -1.097
   83    H    ASN  13           H        ASN  13  10.644   6.554  -2.534
   84    HA   ASN  13           HA       ASN  13  11.071   8.017  -5.005
   85   1HB   ASN  13          1HB       ASN  13  12.927   6.660  -3.042
   86   2HB   ASN  13          2HB       ASN  13  13.524   7.433  -4.511
   87   1HD2  ASN  13          2HD2      ASN  13  12.922  10.744  -3.338
   88   2HD2  ASN  13          1HD2      ASN  13  13.219   9.796  -4.713
   89    H    THR  14           H        THR  14  11.828   4.667  -3.995
   90    HA   THR  14           HA       THR  14  12.717   3.842  -6.616
   91    HB   THR  14           HB       THR  14  12.032   2.520  -4.009
   92    HG1  THR  14           HG1      THR  14  14.109   2.778  -4.093
   93   1HG2  THR  14          2HG2      THR  14  12.122   1.080  -6.666
   94   2HG2  THR  14          1HG2      THR  14  12.514   0.275  -5.148
   95   3HG2  THR  14          3HG2      THR  14  10.905   0.952  -5.396
   96    H    LEU  15           H        LEU  15   9.752   3.215  -4.809
   97    HA   LEU  15           HA       LEU  15   8.165   1.854  -6.593
   98   1HB   LEU  15          1HB       LEU  15   7.218   4.219  -4.943
   99   2HB   LEU  15          2HB       LEU  15   6.227   2.883  -5.523
  100    HG   LEU  15           HG       LEU  15   8.564   2.551  -3.626
  101   1HD1  LEU  15          2HD1      LEU  15   5.809   3.413  -3.202
  102   2HD1  LEU  15          1HD1      LEU  15   6.224   1.972  -2.276
  103   3HD1  LEU  15          3HD1      LEU  15   7.180   3.440  -2.092
  104   1HD2  LEU  15          3HD2      LEU  15   7.309   0.696  -5.223
  105   2HD2  LEU  15          2HD2      LEU  15   8.134   0.328  -3.707
  106   3HD2  LEU  15          1HD2      LEU  15   6.388   0.583  -3.722
  107    H    ALA  16           H        ALA  16   9.038   5.269  -6.736
  108    HA   ALA  16           HA       ALA  16   7.149   5.894  -8.865
  109   1HB   ALA  16          2HB       ALA  16   8.576   7.406  -7.084
  110   2HB   ALA  16          1HB       ALA  16   9.522   7.624  -8.558
  111   3HB   ALA  16          3HB       ALA  16   7.809   8.047  -8.538
  112    H    LYS  17           H        LYS  17  10.662   5.261  -8.704
  113    HA   LYS  17           HA       LYS  17  10.612   4.992 -11.685
  114   1HB   LYS  17          1HB       LYS  17  12.128   6.762 -10.505
  115   2HB   LYS  17          2HB       LYS  17  13.133   5.374 -10.085
  116   1HG   LYS  17          1HG       LYS  17  13.599   4.870 -12.331
  117   2HG   LYS  17          2HG       LYS  17  12.208   5.782 -12.921
  118   1HD   LYS  17          1HD       LYS  17  13.316   7.779 -12.849
  119   2HD   LYS  17          2HD       LYS  17  14.219   7.341 -11.399
  120   1HE   LYS  17          1HE       LYS  17  15.967   7.169 -12.858
  121   2HE   LYS  17          2HE       LYS  17  15.276   5.578 -13.176
  122   1HZ   LYS  17          1HZ       LYS  17  14.305   7.929 -14.657
  123   2HZ   LYS  17          3HZ       LYS  17  15.744   7.169 -15.134
  124   3HZ   LYS  17          2HZ       LYS  17  14.289   6.291 -15.112
  125    H    MET  18           H        MET  18   9.715   2.763 -10.756
  126    HA   MET  18           HA       MET  18  12.066   0.930 -10.584
  127   1HB   MET  18          1HB       MET  18  11.044   1.024  -8.378
  128   2HB   MET  18          2HB       MET  18   9.443   0.764  -9.068
  129   1HG   MET  18          2HG       MET  18  11.408  -1.289  -9.829
  130   2HG   MET  18          1HG       MET  18  11.077  -1.225  -8.099
  131   1HE   MET  18          2HE       MET  18   8.992  -0.723  -7.218
  132   2HE   MET  18          1HE       MET  18   7.392  -0.990  -7.906
  133   3HE   MET  18          3HE       MET  18   8.275  -2.330  -7.163
  134    H    ASP  19           H        ASP  19  11.879  -0.952 -11.842
  135    HA   ASP  19           HA       ASP  19   9.844  -0.861 -13.949
  136   1HB   ASP  19          1HB       ASP  19  12.251  -1.527 -14.342
  137   2HB   ASP  19          2HB       ASP  19  11.922  -3.009 -13.445
  138    H    ASP  20           H        ASP  20  10.890  -3.532 -11.793
  139    HA   ASP  20           HA       ASP  20   8.272  -4.037 -10.755
  140   1HB   ASP  20          1HB       ASP  20   8.583  -4.892 -13.419
  141   2HB   ASP  20          2HB       ASP  20   8.727  -6.351 -12.439
  142    H    GLY  21           H        GLY  21  11.224  -5.728 -11.865
  143   1HA   GLY  21          1HA       GLY  21  11.164  -7.347  -9.380
  144   2HA   GLY  21          2HA       GLY  21  12.227  -7.626 -10.761
  145    H    GLN  22           H        GLN  22  11.824  -4.404  -9.491
  146    HA   GLN  22           HA       GLN  22  14.692  -4.350  -8.807
  147   1HB   GLN  22          1HB       GLN  22  13.351  -2.506 -10.067
  148   2HB   GLN  22          2HB       GLN  22  12.786  -2.049  -8.460
  149   1HG   GLN  22          1HG       GLN  22  15.341  -2.153  -7.844
  150   2HG   GLN  22          2HG       GLN  22  15.566  -1.948  -9.582
  151   1HE2  GLN  22          2HE2      GLN  22  14.782   1.487  -9.488
  152   2HE2  GLN  22          1HE2      GLN  22  15.438   0.183 -10.357
  153    H    LEU  23           H        LEU  23  11.692  -3.281  -7.154
  154    HA   LEU  23           HA       LEU  23  12.949  -4.201  -4.599
  155   1HB   LEU  23          1HB       LEU  23  11.982  -1.549  -5.343
  156   2HB   LEU  23          2HB       LEU  23  11.167  -2.157  -3.903
  157    HG   LEU  23           HG       LEU  23  13.463  -2.765  -2.997
  158   1HD1  LEU  23          3HD1      LEU  23  14.359  -2.368  -5.499
  159   2HD1  LEU  23          2HD1      LEU  23  14.629  -0.747  -4.857
  160   3HD1  LEU  23          1HD1      LEU  23  15.390  -2.139  -4.086
  161   1HD2  LEU  23          3HD2      LEU  23  12.012  -0.453  -2.826
  162   2HD2  LEU  23          2HD2      LEU  23  13.487  -0.761  -1.908
  163   3HD2  LEU  23          1HD2      LEU  23  13.560   0.162  -3.409
  164    H    ASP  24           H        ASP  24  11.497  -6.082  -5.668
  165    HA   ASP  24           HA       ASP  24   8.710  -5.762  -4.640
  166   1HB   ASP  24          1HB       ASP  24   8.109  -7.618  -6.118
  167   2HB   ASP  24          2HB       ASP  24   8.918  -6.354  -7.044
  168    H    GLY  25           H        GLY  25  11.695  -7.240  -3.939
  169   1HA   GLY  25          1HA       GLY  25  10.432  -9.490  -2.477
  170   2HA   GLY  25          2HA       GLY  25  12.163  -9.286  -2.748
  171    H    LEU  26           H        LEU  26  10.187  -6.614  -1.636
  172    HA   LEU  26           HA       LEU  26  11.859  -6.226   0.682
  173   1HB   LEU  26          1HB       LEU  26   9.136  -5.014   0.125
  174   2HB   LEU  26          2HB       LEU  26  10.386  -4.372   1.188
  175    HG   LEU  26           HG       LEU  26  11.282  -4.845  -1.580
  176   1HD1  LEU  26          3HD1      LEU  26   9.112  -2.835  -0.920
  177   2HD1  LEU  26          2HD1      LEU  26  10.141  -2.709  -2.346
  178   3HD1  LEU  26          1HD1      LEU  26   9.064  -4.093  -2.155
  179   1HD2  LEU  26          2HD2      LEU  26  12.433  -3.613   0.396
  180   2HD2  LEU  26          1HD2      LEU  26  12.486  -2.843  -1.191
  181   3HD2  LEU  26          3HD2      LEU  26  11.333  -2.286   0.023
  182    H    ALA  27           H        ALA  27  10.188  -5.621   2.671
  183    HA   ALA  27           HA       ALA  27   8.877  -8.222   3.347
  184   1HB   ALA  27          2HB       ALA  27  10.873  -7.530   4.749
  185   2HB   ALA  27          1HB       ALA  27   9.924  -6.149   5.294
  186   3HB   ALA  27          3HB       ALA  27   9.389  -7.787   5.664
  187    H    PHE  28           H        PHE  28   8.252  -5.060   2.487
  188    HA   PHE  28           HA       PHE  28   5.572  -5.203   3.746
  189   1HB   PHE  28          1HB       PHE  28   5.679  -2.670   3.941
  190   2HB   PHE  28          2HB       PHE  28   6.734  -3.542   5.053
  191    HD1  PHE  28           HD1      PHE  28   9.182  -3.965   4.310
  192    HD2  PHE  28           HD2      PHE  28   6.585  -1.128   2.412
  193    HE1  PHE  28           HE1      PHE  28  11.153  -2.856   3.288
  194    HE2  PHE  28           HE2      PHE  28   8.552  -0.015   1.381
  195    HZ   PHE  28           HZ       PHE  28  10.854  -0.875   1.820
  196    H    GLY  29           H        GLY  29   4.261  -5.434   2.070
  197   1HA   GLY  29          1HA       GLY  29   4.735  -4.955  -0.633
  198   2HA   GLY  29          2HA       GLY  29   3.144  -4.929   0.121
  199    H    ALA  30           H        ALA  30   3.847  -3.157  -2.061
  200    HA   ALA  30           HA       ALA  30   3.372  -0.624  -0.599
  201   1HB   ALA  30          3HB       ALA  30   5.760  -1.148  -2.344
  202   2HB   ALA  30          2HB       ALA  30   5.037   0.460  -2.338
  203   3HB   ALA  30          1HB       ALA  30   5.657  -0.233  -0.840
  204    H    ILE  31           H        ILE  31   1.769   0.499  -1.615
  205    HA   ILE  31           HA       ILE  31   1.292  -0.157  -4.484
  206    HB   ILE  31           HB       ILE  31  -1.068  -0.385  -4.098
  207   1HG1  ILE  31          1HG1      ILE  31  -1.784  -0.272  -1.557
  208   2HG1  ILE  31          2HG1      ILE  31  -0.388   0.793  -1.417
  209   1HG2  ILE  31          3HG2      ILE  31   0.490  -1.770  -1.896
  210   2HG2  ILE  31          2HG2      ILE  31  -1.102  -2.258  -2.477
  211   3HG2  ILE  31          1HG2      ILE  31   0.295  -2.340  -3.550
  212   1HD1  ILE  31          2HD1      ILE  31  -1.706   1.674  -3.722
  213   2HD1  ILE  31          1HD1      ILE  31  -3.004   1.330  -2.579
  214   3HD1  ILE  31          3HD1      ILE  31  -1.723   2.463  -2.146
  215    H    GLN  32           H        GLN  32   0.097   1.485  -5.655
  216    HA   GLN  32           HA       GLN  32   0.323   4.193  -4.411
  217   1HB   GLN  32          1HB       GLN  32   0.812   3.217  -7.228
  218   2HB   GLN  32          2HB       GLN  32   0.405   4.906  -6.918
  219   1HG   GLN  32          1HG       GLN  32   2.308   5.026  -5.305
  220   2HG   GLN  32          2HG       GLN  32   2.747   3.376  -5.749
  221   1HE2  GLN  32          2HE2      GLN  32   3.649   6.453  -8.266
  222   2HE2  GLN  32          1HE2      GLN  32   2.736   6.724  -6.861
  223    H    LEU  33           H        LEU  33  -1.419   5.718  -5.286
  224    HA   LEU  33           HA       LEU  33  -3.755   4.291  -6.390
  225   1HB   LEU  33          1HB       LEU  33  -3.635   5.538  -3.664
  226   2HB   LEU  33          2HB       LEU  33  -5.151   5.553  -4.560
  227    HG   LEU  33           HG       LEU  33  -3.509   3.075  -3.960
  228   1HD1  LEU  33          3HD1      LEU  33  -5.641   4.503  -2.508
  229   2HD1  LEU  33          2HD1      LEU  33  -5.954   2.784  -2.741
  230   3HD1  LEU  33          1HD1      LEU  33  -4.485   3.309  -1.919
  231   1HD2  LEU  33          3HD2      LEU  33  -5.553   3.631  -5.892
  232   2HD2  LEU  33          2HD2      LEU  33  -4.767   2.090  -5.550
  233   3HD2  LEU  33          1HD2      LEU  33  -6.226   2.551  -4.670
  234    H    ASP  34           H        ASP  34  -5.145   5.651  -7.530
  235    HA   ASP  34           HA       ASP  34  -4.191   8.427  -7.936
  236   1HB   ASP  34          1HB       ASP  34  -4.553   7.025  -9.968
  237   2HB   ASP  34          2HB       ASP  34  -6.236   6.796  -9.493
  238    H    GLY  35           H        GLY  35  -6.039  10.061  -8.078
  239   1HA   GLY  35          1HA       GLY  35  -7.372  10.387  -5.702
  240   2HA   GLY  35          2HA       GLY  35  -7.972  11.066  -7.205
  241    H    ASP  36           H        ASP  36  -8.438   8.141  -8.195
  242    HA   ASP  36           HA       ASP  36 -11.105   7.951  -6.888
  243   1HB   ASP  36          1HB       ASP  36 -10.046   7.412  -9.546
  244   2HB   ASP  36          2HB       ASP  36 -10.994   6.057  -8.934
  245    H    GLY  37           H        GLY  37  -8.364   6.806  -5.926
  246   1HA   GLY  37          1HA       GLY  37  -7.814   5.001  -4.539
  247   2HA   GLY  37          2HA       GLY  37  -9.462   4.415  -4.746
  248    H    ASN  38           H        ASN  38  -7.469   5.138  -7.556
  249    HA   ASN  38           HA       ASN  38  -7.664   2.246  -8.268
  250   1HB   ASN  38          1HB       ASN  38  -7.117   4.751  -9.820
  251   2HB   ASN  38          2HB       ASN  38  -6.648   3.188 -10.488
  252   1HD2  ASN  38          2HD2      ASN  38 -10.566   4.242 -10.438
  253   2HD2  ASN  38          1HD2      ASN  38  -9.363   5.289  -9.856
  254    H    ILE  39           H        ILE  39  -5.937   0.880  -8.274
  255    HA   ILE  39           HA       ILE  39  -3.475   1.684  -7.077
  256    HB   ILE  39           HB       ILE  39  -4.623  -0.772  -7.708
  257   1HG1  ILE  39          1HG1      ILE  39  -2.396  -1.644  -6.702
  258   2HG1  ILE  39          2HG1      ILE  39  -1.918   0.054  -6.635
  259   1HG2  ILE  39          3HG2      ILE  39  -3.418  -0.494  -9.985
  260   2HG2  ILE  39          2HG2      ILE  39  -1.946  -0.810  -9.071
  261   3HG2  ILE  39          1HG2      ILE  39  -3.232  -2.017  -9.116
  262   1HD1  ILE  39          2HD1      ILE  39  -4.572  -0.807  -5.504
  263   2HD1  ILE  39          1HD1      ILE  39  -3.099  -1.004  -4.556
  264   3HD1  ILE  39          3HD1      ILE  39  -3.595   0.601  -5.091
  265    H    LEU  40           H        LEU  40  -1.562   2.310  -7.859
  266    HA   LEU  40           HA       LEU  40  -1.340   2.750 -10.811
  267   1HB   LEU  40          1HB       LEU  40   0.506   4.137  -8.906
  268   2HB   LEU  40          2HB       LEU  40  -0.163   4.711 -10.430
  269    HG   LEU  40           HG       LEU  40  -1.741   4.412  -7.856
  270   1HD1  LEU  40          1HD1      LEU  40   0.132   6.291  -8.251
  271   2HD1  LEU  40          3HD1      LEU  40  -1.196   7.049  -9.131
  272   3HD1  LEU  40          2HD1      LEU  40  -1.387   6.642  -7.426
  273   1HD2  LEU  40          2HD2      LEU  40  -2.963   4.157 -10.063
  274   2HD2  LEU  40          1HD2      LEU  40  -3.527   5.484  -9.049
  275   3HD2  LEU  40          3HD2      LEU  40  -2.485   5.814 -10.433
  276    H    GLN  41           H        GLN  41   0.046   1.394  -7.923
  277    HA   GLN  41           HA       GLN  41   1.899  -0.268  -9.498
  278   1HB   GLN  41          1HB       GLN  41   3.030   1.965  -8.817
  279   2HB   GLN  41          2HB       GLN  41   2.958   1.359  -7.170
  280   1HG   GLN  41          1HG       GLN  41   4.249  -0.136  -9.472
  281   2HG   GLN  41          2HG       GLN  41   5.138   0.885  -8.343
  282   1HE2  GLN  41          2HE2      GLN  41   3.899  -1.527  -5.645
  283   2HE2  GLN  41          1HE2      GLN  41   3.478   0.070  -5.987
  284    H    TYR  42           H        TYR  42   2.442  -2.235  -8.230
  285    HA   TYR  42           HA       TYR  42   1.023  -2.375  -5.601
  286   1HB   TYR  42          1HB       TYR  42  -0.120  -3.489  -7.704
  287   2HB   TYR  42          2HB       TYR  42   1.048  -4.780  -7.395
  288    HD1  TYR  42           HD1      TYR  42  -1.166  -2.502  -5.401
  289    HD2  TYR  42           HD2      TYR  42   0.313  -6.499  -5.990
  290    HE1  TYR  42           HE1      TYR  42  -2.464  -3.285  -3.427
  291    HE2  TYR  42           HE2      TYR  42  -1.004  -7.263  -4.023
  292    HH   TYR  42           HH       TYR  42  -1.896  -6.196  -1.921
  293    H    ASN  43           H        ASN  43   3.288  -4.222  -7.657
  294    HA   ASN  43           HA       ASN  43   5.447  -4.992  -7.142
  295   1HB   ASN  43          1HB       ASN  43   6.549  -4.241  -5.312
  296   2HB   ASN  43          2HB       ASN  43   5.125  -3.243  -5.066
  297   1HD2  ASN  43          2HD2      ASN  43   6.042  -5.382  -2.005
  298   2HD2  ASN  43          1HD2      ASN  43   7.041  -4.501  -3.057
  299    H    ALA  44           H        ALA  44   6.312  -6.934  -5.598
  300    HA   ALA  44           HA       ALA  44   4.200  -8.988  -5.912
  301   1HB   ALA  44          3HB       ALA  44   6.644  -9.069  -6.839
  302   2HB   ALA  44          2HB       ALA  44   7.041  -9.625  -5.213
  303   3HB   ALA  44          1HB       ALA  44   5.902 -10.536  -6.203
  304    H    ALA  45           H        ALA  45   6.364  -7.833  -3.293
  305    HA   ALA  45           HA       ALA  45   6.025  -9.807  -1.386
  306   1HB   ALA  45          1HB       ALA  45   6.814  -7.110  -1.330
  307   2HB   ALA  45          3HB       ALA  45   5.546  -7.246  -0.111
  308   3HB   ALA  45          2HB       ALA  45   6.971  -8.283  -0.021
  309    H    GLU  46           H        GLU  46   3.834  -7.031  -1.496
  310    HA   GLU  46           HA       GLU  46   1.927  -8.136   0.284
  311   1HB   GLU  46          1HB       GLU  46   0.322  -6.567  -1.308
  312   2HB   GLU  46          2HB       GLU  46   1.204  -6.032   0.091
  313   1HG   GLU  46          1HG       GLU  46   2.009  -4.473  -1.328
  314   2HG   GLU  46          2HG       GLU  46   3.122  -5.723  -1.791
  315    HE2  GLU  46           HE1      GLU  46   0.153  -4.231  -2.628
  316    H    GLY  47           H        GLY  47   1.889  -8.129  -3.225
  317   1HA   GLY  47          1HA       GLY  47  -0.549  -9.579  -3.505
  318   2HA   GLY  47          2HA       GLY  47   0.726  -9.527  -4.731
  319    H    ASP  48           H        ASP  48   2.521 -10.637  -2.364
  320    HA   ASP  48           HA       ASP  48   2.107 -13.442  -3.134
  321   1HB   ASP  48          1HB       ASP  48   4.367 -12.108  -2.652
  322   2HB   ASP  48          2HB       ASP  48   4.051 -12.647  -1.002
  323    H    ILE  49           H        ILE  49   1.533 -11.349  -0.387
  324    HA   ILE  49           HA       ILE  49   0.887 -13.552   1.406
  325    HB   ILE  49           HB       ILE  49   1.410 -10.751   1.580
  326   1HG1  ILE  49          1HG1      ILE  49   2.639 -12.482   2.772
  327   2HG1  ILE  49          2HG1      ILE  49   1.926 -11.357   3.928
  328   1HG2  ILE  49          3HG2      ILE  49  -1.133 -11.664   2.894
  329   2HG2  ILE  49          2HG2      ILE  49  -0.143 -10.398   3.617
  330   3HG2  ILE  49          1HG2      ILE  49  -0.819 -10.172   2.007
  331   1HD1  ILE  49          2HD1      ILE  49  -0.027 -13.353   3.418
  332   2HD1  ILE  49          1HD1      ILE  49   1.499 -14.192   3.693
  333   3HD1  ILE  49          3HD1      ILE  49   0.870 -13.082   4.912
  334    H    THR  50           H        THR  50  -1.003 -10.880  -0.064
  335    HA   THR  50           HA       THR  50  -3.510 -12.279   0.584
  336    HB   THR  50           HB       THR  50  -4.631 -10.332   0.009
  337    HG1  THR  50           HG1      THR  50  -2.542  -9.520  -1.697
  338   1HG2  THR  50          1HG2      THR  50  -2.651  -9.870   1.632
  339   2HG2  THR  50          3HG2      THR  50  -1.942  -9.009   0.267
  340   3HG2  THR  50          2HG2      THR  50  -3.496  -8.500   0.926
  341    H    GLY  51           H        GLY  51  -1.271 -12.373  -1.986
  342   1HA   GLY  51          1HA       GLY  51  -1.409 -13.797  -3.884
  343   2HA   GLY  51          2HA       GLY  51  -3.128 -14.001  -3.559
  344    H    ARG  52           H        ARG  52  -2.791 -10.791  -3.311
  345    HA   ARG  52           HA       ARG  52  -4.161 -10.078  -5.641
  346   1HB   ARG  52          1HB       ARG  52  -2.627  -8.669  -3.567
  347   2HB   ARG  52          2HB       ARG  52  -2.636  -7.844  -5.122
  348   1HG   ARG  52          1HG       ARG  52  -5.279  -8.626  -4.833
  349   2HG   ARG  52          2HG       ARG  52  -4.815  -8.177  -3.195
  350   1HD   ARG  52          1HD       ARG  52  -3.705  -6.255  -4.976
  351   2HD   ARG  52          2HD       ARG  52  -5.395  -6.475  -5.385
  352    HE   ARG  52           HE       ARG  52  -5.570  -6.146  -2.713
  353   1HH1  ARG  52          2HH1      ARG  52  -5.177  -4.184  -5.337
  354   2HH1  ARG  52          1HH1      ARG  52  -4.575  -2.807  -4.477
  355   1HH2  ARG  52          1HH2      ARG  52  -4.160  -4.514  -1.496
  356   2HH2  ARG  52          2HH2      ARG  52  -4.010  -2.993  -2.299
  357    H    ASP  53           H        ASP  53  -3.548 -10.085  -7.742
  358    HA   ASP  53           HA       ASP  53  -0.665 -10.269  -8.398
  359   1HB   ASP  53          1HB       ASP  53  -3.235 -10.804  -9.828
  360   2HB   ASP  53          2HB       ASP  53  -1.873 -10.269 -10.813
  361    HA   PRO  54           HA       PRO  54  -0.487  -5.983  -9.331
  362   1HB   PRO  54          1HB       PRO  54   1.505  -5.954 -11.227
  363   2HB   PRO  54          2HB       PRO  54   1.797  -6.197  -9.496
  364   1HG   PRO  54          1HG       PRO  54   1.857  -8.198 -11.708
  365   2HG   PRO  54          2HG       PRO  54   2.716  -8.212 -10.159
  366   1HD   PRO  54          1HD       PRO  54   0.388  -9.699 -10.778
  367   2HD   PRO  54          2HD       PRO  54   1.062  -9.441  -9.153
  368    H    LYS  55           H        LYS  55  -0.180  -7.839 -12.397
  369    HA   LYS  55           HA       LYS  55  -1.286  -5.778 -14.029
  370   1HB   LYS  55          1HB       LYS  55  -0.479  -8.567 -14.351
  371   2HB   LYS  55          2HB       LYS  55  -1.881  -8.155 -15.338
  372   1HG   LYS  55          1HG       LYS  55  -0.716  -6.643 -16.616
  373   2HG   LYS  55          2HG       LYS  55   0.354  -6.189 -15.290
  374   1HD   LYS  55          1HD       LYS  55   1.914  -7.497 -16.266
  375   2HD   LYS  55          2HD       LYS  55   0.949  -8.873 -15.728
  376   1HE   LYS  55          1HE       LYS  55   0.596  -7.427 -18.369
  377   2HE   LYS  55          2HE       LYS  55   1.413  -8.975 -18.162
  378   1HZ   LYS  55          3HZ       LYS  55  -1.416  -8.428 -17.443
  379   2HZ   LYS  55          2HZ       LYS  55  -0.903  -9.233 -18.848
  380   3HZ   LYS  55          1HZ       LYS  55  -0.624  -9.922 -17.321
  381    H    GLN  56           H        GLN  56  -2.827  -8.132 -11.971
  382    HA   GLN  56           HA       GLN  56  -5.410  -7.784 -13.352
  383   1HB   GLN  56          1HB       GLN  56  -4.284  -9.691 -11.472
  384   2HB   GLN  56          2HB       GLN  56  -5.868  -9.128 -10.937
  385   1HG   GLN  56          1HG       GLN  56  -6.598  -9.536 -13.400
  386   2HG   GLN  56          2HG       GLN  56  -5.136 -10.516 -13.511
  387   1HE2  GLN  56          2HE2      GLN  56  -7.079 -13.204 -12.283
  388   2HE2  GLN  56          1HE2      GLN  56  -6.173 -12.587 -13.580
  389    H    VAL  57           H        VAL  57  -3.924  -6.907 -10.234
  390    HA   VAL  57           HA       VAL  57  -6.326  -5.503  -9.361
  391    HB   VAL  57           HB       VAL  57  -5.014  -4.797  -7.458
  392   1HG1  VAL  57          2HG1      VAL  57  -4.630  -7.613  -8.441
  393   2HG1  VAL  57          1HG1      VAL  57  -4.001  -7.115  -6.871
  394   3HG1  VAL  57          3HG1      VAL  57  -5.731  -7.016  -7.200
  395   1HG2  VAL  57          2HG2      VAL  57  -2.768  -5.343  -9.326
  396   2HG2  VAL  57          1HG2      VAL  57  -2.892  -4.143  -8.040
  397   3HG2  VAL  57          3HG2      VAL  57  -2.496  -5.817  -7.649
  398    H    ILE  58           H        ILE  58  -4.099  -4.793 -11.720
  399    HA   ILE  58           HA       ILE  58  -3.684  -1.996 -11.150
  400    HB   ILE  58           HB       ILE  58  -2.998  -3.908 -13.285
  401   1HG1  ILE  58          1HG1      ILE  58  -1.682  -1.296 -12.554
  402   2HG1  ILE  58          2HG1      ILE  58  -1.579  -2.710 -11.504
  403   1HG2  ILE  58          2HG2      ILE  58  -3.587  -1.020 -14.038
  404   2HG2  ILE  58          1HG2      ILE  58  -2.625  -2.126 -15.018
  405   3HG2  ILE  58          3HG2      ILE  58  -4.333  -2.458 -14.732
  406   1HD1  ILE  58          3HD1      ILE  58  -1.001  -3.239 -14.355
  407   2HD1  ILE  58          2HD1      ILE  58   0.168  -2.199 -13.541
  408   3HD1  ILE  58          1HD1      ILE  58  -0.165  -3.812 -12.911
  409    H    GLY  59           H        GLY  59  -5.162  -0.454 -11.299
  410   1HA   GLY  59          1HA       GLY  59  -6.943   0.779 -12.352
  411   2HA   GLY  59          2HA       GLY  59  -7.308  -0.640 -13.337
  412    H    LYS  60           H        LYS  60  -7.018  -2.170 -10.599
  413    HA   LYS  60           HA       LYS  60  -9.874  -2.153 -10.013
  414   1HB   LYS  60          1HB       LYS  60  -7.619  -3.570  -8.544
  415   2HB   LYS  60          2HB       LYS  60  -9.340  -3.943  -8.434
  416   1HG   LYS  60          1HG       LYS  60  -7.639  -4.168 -10.938
  417   2HG   LYS  60          2HG       LYS  60  -8.206  -5.517  -9.953
  418   1HD   LYS  60          1HD       LYS  60 -10.519  -4.045 -10.483
  419   2HD   LYS  60          2HD       LYS  60  -9.628  -4.010 -12.005
  420   1HE   LYS  60          1HE       LYS  60  -9.447  -6.438 -12.010
  421   2HE   LYS  60          2HE       LYS  60 -10.199  -6.529 -10.418
  422   1HZ   LYS  60          1HZ       LYS  60 -12.107  -5.257 -11.565
  423   2HZ   LYS  60          3HZ       LYS  60 -11.416  -5.827 -13.005
  424   3HZ   LYS  60          2HZ       LYS  60 -11.956  -6.928 -11.829
  425    H    ASN  61           H        ASN  61 -10.847  -1.205  -8.235
  426    HA   ASN  61           HA       ASN  61  -9.328   0.845  -6.830
  427   1HB   ASN  61          1HB       ASN  61 -12.162  -0.171  -6.437
  428   2HB   ASN  61          2HB       ASN  61 -11.478   1.238  -5.624
  429   1HD2  ASN  61          2HD2      ASN  61 -11.090   2.867  -8.997
  430   2HD2  ASN  61          1HD2      ASN  61  -9.990   2.350  -7.815
  431    H    PHE  62           H        PHE  62  -7.915   0.175  -5.298
  432    HA   PHE  62           HA       PHE  62  -8.181  -2.309  -3.866
  433   1HB   PHE  62          1HB       PHE  62  -5.969  -1.551  -3.999
  434   2HB   PHE  62          2HB       PHE  62  -6.414   0.112  -3.630
  435    HD1  PHE  62           HD1      PHE  62  -6.576  -3.290  -2.047
  436    HD2  PHE  62           HD2      PHE  62  -5.955   0.913  -1.484
  437    HE1  PHE  62           HE1      PHE  62  -6.046  -3.691   0.340
  438    HE2  PHE  62           HE2      PHE  62  -5.382   0.515   0.898
  439    HZ   PHE  62           HZ       PHE  62  -5.450  -1.793   1.810
  440    H    PHE  63           H        PHE  63  -9.472   0.857  -3.370
  441    HA   PHE  63           HA       PHE  63  -9.839   0.437  -0.513
  442   1HB   PHE  63          1HB       PHE  63 -10.264   2.649  -2.420
  443   2HB   PHE  63          2HB       PHE  63 -11.391   2.602  -1.062
  444    HD1  PHE  63           HD2      PHE  63 -10.426   2.329   1.295
  445    HD2  PHE  63           HD1      PHE  63  -8.046   3.413  -2.110
  446    HE1  PHE  63           HE2      PHE  63  -8.659   3.187   2.804
  447    HE2  PHE  63           HE1      PHE  63  -6.275   4.268  -0.599
  448    HZ   PHE  63           HZ       PHE  63  -6.582   4.156   1.860
  449    H    LYS  64           H        LYS  64 -11.506  -0.731  -3.188
  450    HA   LYS  64           HA       LYS  64 -13.808  -1.407  -1.481
  451   1HB   LYS  64          1HB       LYS  64 -14.204   0.149  -4.054
  452   2HB   LYS  64          2HB       LYS  64 -15.485  -0.507  -3.036
  453   1HG   LYS  64          1HG       LYS  64 -14.603   0.899  -1.144
  454   2HG   LYS  64          2HG       LYS  64 -13.492   1.650  -2.290
  455   1HD   LYS  64          1HD       LYS  64 -15.661   2.070  -3.703
  456   2HD   LYS  64          2HD       LYS  64 -16.489   1.839  -2.163
  457   1HE   LYS  64          1HE       LYS  64 -14.380   3.526  -1.513
  458   2HE   LYS  64          2HE       LYS  64 -14.904   4.113  -3.092
  459   1HZ   LYS  64          2HZ       LYS  64 -17.244   3.912  -2.092
  460   2HZ   LYS  64          1HZ       LYS  64 -16.449   3.900  -0.591
  461   3HZ   LYS  64          3HZ       LYS  64 -16.277   5.231  -1.629
  462    H    ASP  65           H        ASP  65 -12.550  -1.488  -4.826
  463    HA   ASP  65           HA       ASP  65 -14.033  -3.927  -5.415
  464   1HB   ASP  65          1HB       ASP  65 -13.240  -1.991  -7.010
  465   2HB   ASP  65          2HB       ASP  65 -11.770  -2.963  -7.119
  466    H    VAL  66           H        VAL  66 -11.148  -3.502  -3.667
  467    HA   VAL  66           HA       VAL  66 -10.283  -6.251  -4.488
  468    HB   VAL  66           HB       VAL  66  -8.478  -4.114  -3.371
  469   1HG1  VAL  66          2HG1      VAL  66  -8.155  -6.799  -4.662
  470   2HG1  VAL  66          1HG1      VAL  66  -6.867  -5.605  -4.772
  471   3HG1  VAL  66          3HG1      VAL  66  -7.403  -6.169  -3.195
  472   1HG2  VAL  66          2HG2      VAL  66  -9.588  -3.511  -5.629
  473   2HG2  VAL  66          1HG2      VAL  66  -7.830  -3.424  -5.513
  474   3HG2  VAL  66          3HG2      VAL  66  -8.592  -4.810  -6.289
  475    H    ALA  67           H        ALA  67  -9.787  -3.843  -1.956
  476    HA   ALA  67           HA       ALA  67  -9.898  -5.998   0.090
  477   1HB   ALA  67          1HB       ALA  67  -8.529  -3.361  -0.216
  478   2HB   ALA  67          3HB       ALA  67  -8.904  -3.913   1.417
  479   3HB   ALA  67          2HB       ALA  67  -7.883  -4.896   0.365
  480    HA   PRO  68           HA       PRO  68 -13.863  -3.924   0.881
  481   1HB   PRO  68          1HB       PRO  68 -14.940  -5.989   2.341
  482   2HB   PRO  68          2HB       PRO  68 -14.967  -5.912   0.571
  483   1HG   PRO  68          1HG       PRO  68 -13.266  -7.596   2.354
  484   2HG   PRO  68          2HG       PRO  68 -13.799  -7.903   0.693
  485   1HD   PRO  68          1HD       PRO  68 -11.235  -6.997   1.458
  486   2HD   PRO  68          2HD       PRO  68 -11.901  -6.968  -0.189
  487    H    CYS  69           H        CYS  69 -11.280  -4.536   2.899
  488    HA   CYS  69           HA       CYS  69 -12.786  -3.688   5.330
  489   1HB   CYS  69          1HB       CYS  69 -10.863  -4.428   6.625
  490   2HB   CYS  69          2HB       CYS  69 -11.350  -5.727   5.536
  491    H    THR  70           H        THR  70 -10.554  -2.573   2.937
  492    HA   THR  70           HA       THR  70  -9.361  -0.492   4.580
  493    HB   THR  70           HB       THR  70  -8.449   0.341   2.467
  494    HG1  THR  70           HG1      THR  70  -9.848  -1.669   1.137
  495   1HG2  THR  70          2HG2      THR  70  -8.288  -2.436   3.353
  496   2HG2  THR  70          1HG2      THR  70  -7.853  -2.236   1.657
  497   3HG2  THR  70          3HG2      THR  70  -6.992  -1.328   2.901
  498    H    ASP  71           H        ASP  71 -12.480  -0.843   3.468
  499    HA   ASP  71           HA       ASP  71 -12.874   2.023   2.867
  500   1HB   ASP  71          1HB       ASP  71 -14.086   0.166   1.616
  501   2HB   ASP  71          2HB       ASP  71 -14.987  -0.134   3.102
  502    H    SER  72           H        SER  72 -11.898   1.880   5.338
  503    HA   SER  72           HA       SER  72 -14.287   2.241   7.104
  504   1HB   SER  72          1HB       SER  72 -12.078   0.461   7.422
  505   2HB   SER  72          2HB       SER  72 -11.940   1.711   8.657
  506    HG   SER  72           HG       SER  72 -13.343   0.382   9.580
  507    HA   PRO  73           HA       PRO  73 -12.640   6.188   8.157
  508   1HB   PRO  73          1HB       PRO  73 -12.804   6.310  10.897
  509   2HB   PRO  73          2HB       PRO  73 -14.210   6.401   9.821
  510   1HG   PRO  73          1HG       PRO  73 -13.308   4.141  11.542
  511   2HG   PRO  73          2HG       PRO  73 -14.934   4.523  10.952
  512   1HD   PRO  73          1HD       PRO  73 -13.197   2.545   9.902
  513   2HD   PRO  73          2HD       PRO  73 -14.693   3.136   9.147
  514    H    GLU  74           H        GLU  74 -10.817   3.500   9.020
  515    HA   GLU  74           HA       GLU  74  -8.645   5.177  10.148
  516   1HB   GLU  74          1HB       GLU  74  -9.555   2.440  10.659
  517   2HB   GLU  74          2HB       GLU  74  -7.813   2.565  10.415
  518   1HG   GLU  74          1HG       GLU  74  -7.899   3.033  12.674
  519   2HG   GLU  74          2HG       GLU  74  -8.113   4.665  12.038
  520    H    PHE  75           H        PHE  75  -9.592   3.125   7.519
  521    HA   PHE  75           HA       PHE  75  -6.841   3.226   6.378
  522   1HB   PHE  75          1HB       PHE  75  -8.537   1.114   6.482
  523   2HB   PHE  75          2HB       PHE  75  -9.034   1.814   4.943
  524    HD1  PHE  75           HD1      PHE  75  -6.925   2.670   3.470
  525    HD2  PHE  75           HD2      PHE  75  -6.836  -0.489   6.379
  526    HE1  PHE  75           HE1      PHE  75  -4.933   1.712   2.365
  527    HE2  PHE  75           HE2      PHE  75  -4.823  -1.442   5.275
  528    HZ   PHE  75           HZ       PHE  75  -3.877  -0.343   3.264
  529    H    TYR  76           H        TYR  76 -10.138   3.412   4.977
  530    HA   TYR  76           HA       TYR  76  -9.250   5.325   2.978
  531   1HB   TYR  76          1HB       TYR  76 -11.238   3.673   2.813
  532   2HB   TYR  76          2HB       TYR  76 -12.126   4.860   3.768
  533    HD1  TYR  76           HD1      TYR  76  -9.555   5.306   1.065
  534    HD2  TYR  76           HD2      TYR  76 -13.611   5.947   2.324
  535    HE1  TYR  76           HE1      TYR  76  -9.973   6.637  -0.984
  536    HE2  TYR  76           HE2      TYR  76 -14.032   7.281   0.278
  537    HH   TYR  76           HH       TYR  76 -13.126   8.203  -1.547
  538    H    GLY  77           H        GLY  77 -10.301   5.515   6.250
  539   1HA   GLY  77          1HA       GLY  77 -11.429   8.145   6.277
  540   2HA   GLY  77          2HA       GLY  77 -10.724   7.327   7.658
  541    H    LYS  78           H        LYS  78  -8.214   7.152   7.457
  542    HA   LYS  78           HA       LYS  78  -7.182   9.806   7.540
  543   1HB   LYS  78          1HB       LYS  78  -5.437   7.395   7.105
  544   2HB   LYS  78          2HB       LYS  78  -5.096   8.843   8.049
  545   1HG   LYS  78          1HG       LYS  78  -6.828   6.489   8.753
  546   2HG   LYS  78          2HG       LYS  78  -5.596   7.284   9.724
  547   1HD   LYS  78          1HD       LYS  78  -7.379   9.327   9.393
  548   2HD   LYS  78          2HD       LYS  78  -8.467   7.940   9.397
  549   1HE   LYS  78          1HE       LYS  78  -8.100   8.829  11.691
  550   2HE   LYS  78          2HE       LYS  78  -7.516   7.172  11.530
  551   1HZ   LYS  78          3HZ       LYS  78  -5.650   9.357  10.967
  552   2HZ   LYS  78          2HZ       LYS  78  -6.038   9.040  12.591
  553   3HZ   LYS  78          1HZ       LYS  78  -5.352   7.821  11.624
  554    H    PHE  79           H        PHE  79  -7.726   7.714   4.917
  555    HA   PHE  79           HA       PHE  79  -5.747   8.885   3.159
  556   1HB   PHE  79          1HB       PHE  79  -6.328   6.595   2.839
  557   2HB   PHE  79          2HB       PHE  79  -8.043   6.980   2.826
  558    HD1  PHE  79           HD1      PHE  79  -8.971   8.376   0.915
  559    HD2  PHE  79           HD2      PHE  79  -5.047   6.614   0.803
  560    HE1  PHE  79           HE1      PHE  79  -8.941   8.580  -1.554
  561    HE2  PHE  79           HE2      PHE  79  -5.043   6.805  -1.653
  562    HZ   PHE  79           HZ       PHE  79  -6.974   7.787  -2.834
  563    H    LYS  80           H        LYS  80  -9.219   9.209   3.725
  564    HA   LYS  80           HA       LYS  80  -9.599  10.959   1.479
  565   1HB   LYS  80          1HB       LYS  80 -11.254   9.795   3.602
  566   2HB   LYS  80          2HB       LYS  80 -11.718  11.442   3.178
  567   1HG   LYS  80          1HG       LYS  80 -11.337  10.376   0.698
  568   2HG   LYS  80          2HG       LYS  80 -11.910   8.960   1.580
  569   1HD   LYS  80          1HD       LYS  80 -13.846  10.101   0.679
  570   2HD   LYS  80          2HD       LYS  80 -13.830  10.356   2.425
  571   1HE   LYS  80          1HE       LYS  80 -13.619  12.587   2.180
  572   2HE   LYS  80          2HE       LYS  80 -12.287  12.399   1.041
  573   1HZ   LYS  80          1HZ       LYS  80 -15.104  11.940   0.262
  574   2HZ   LYS  80          3HZ       LYS  80 -14.382  13.472   0.167
  575   3HZ   LYS  80          2HZ       LYS  80 -13.760  12.182  -0.748
  576    H    GLU  81           H        GLU  81  -8.266  11.304   4.567
  577    HA   GLU  81           HA       GLU  81  -8.917  14.221   4.629
  578   1HB   GLU  81          1HB       GLU  81  -7.830  14.218   6.864
  579   2HB   GLU  81          2HB       GLU  81  -9.172  13.080   6.780
  580   1HG   GLU  81          1HG       GLU  81  -7.613  11.234   6.408
  581   2HG   GLU  81          2HG       GLU  81  -6.252  12.354   6.430
  582    H    GLY  82           H        GLY  82  -6.217  11.953   4.510
  583   1HA   GLY  82          1HA       GLY  82  -4.110  13.882   4.342
  584   2HA   GLY  82          2HA       GLY  82  -4.030  12.244   3.679
  585    H    VAL  83           H        VAL  83  -6.250  12.412   1.953
  586    HA   VAL  83           HA       VAL  83  -5.071  13.517  -0.398
  587    HB   VAL  83           HB       VAL  83  -7.964  12.831   0.218
  588   1HG1  VAL  83          1HG1      VAL  83  -6.554  13.552  -2.352
  589   2HG1  VAL  83          3HG1      VAL  83  -8.032  12.589  -2.342
  590   3HG1  VAL  83          2HG1      VAL  83  -8.042  14.229  -1.694
  591   1HG2  VAL  83          3HG2      VAL  83  -5.851  11.138   0.165
  592   2HG2  VAL  83          2HG2      VAL  83  -7.469  10.675  -0.359
  593   3HG2  VAL  83          1HG2      VAL  83  -6.263  11.160  -1.549
  594    H    ALA  84           H        ALA  84  -7.644  14.783   1.738
  595    HA   ALA  84           HA       ALA  84  -7.803  17.282   0.205
  596   1HB   ALA  84          1HB       ALA  84  -9.648  15.985   1.637
  597   2HB   ALA  84          3HB       ALA  84  -9.023  17.028   2.916
  598   3HB   ALA  84          2HB       ALA  84  -9.689  17.739   1.445
  599    H    SER  85           H        SER  85  -5.633  16.149   2.487
  600    HA   SER  85           HA       SER  85  -5.288  18.802   3.775
  601   1HB   SER  85          1HB       SER  85  -4.627  16.033   4.472
  602   2HB   SER  85          2HB       SER  85  -3.289  17.145   4.745
  603    HG   SER  85           HG       SER  85  -5.944  17.660   5.596
  604    H    GLY  86           H        GLY  86  -3.876  16.721   1.369
  605   1HA   GLY  86          1HA       GLY  86  -2.269  17.346  -0.266
  606   2HA   GLY  86          2HA       GLY  86  -2.020  18.864   0.604
  607    H    ASN  87           H        ASN  87  -1.916  16.080   2.597
  608    HA   ASN  87           HA       ASN  87   0.954  15.594   2.259
  609   1HB   ASN  87          1HB       ASN  87  -0.128  16.843   4.807
  610   2HB   ASN  87          2HB       ASN  87   1.512  16.230   4.590
  611   1HD2  ASN  87          2HD2      ASN  87   2.405  18.911   2.298
  612   2HD2  ASN  87          1HD2      ASN  87   2.629  17.240   2.500
  613    H    LEU  88           H        LEU  88  -0.876  13.744   1.836
  614    HA   LEU  88           HA       LEU  88  -2.060  12.319   3.926
  615   1HB   LEU  88          1HB       LEU  88  -1.922  11.884   1.305
  616   2HB   LEU  88          2HB       LEU  88  -0.662  10.752   1.799
  617    HG   LEU  88           HG       LEU  88  -2.922  10.508   3.570
  618   1HD1  LEU  88          2HD1      LEU  88  -3.853  11.372   1.189
  619   2HD1  LEU  88          1HD1      LEU  88  -3.721   9.649   0.835
  620   3HD1  LEU  88          3HD1      LEU  88  -4.721  10.201   2.178
  621   1HD2  LEU  88          2HD2      LEU  88  -1.227   8.835   1.782
  622   2HD2  LEU  88          1HD2      LEU  88  -1.660   8.589   3.473
  623   3HD2  LEU  88          3HD2      LEU  88  -2.808   8.175   2.199
  624    H    ASN  89           H        ASN  89  -1.200  11.460   5.733
  625    HA   ASN  89           HA       ASN  89   1.268   9.903   5.632
  626   1HB   ASN  89          1HB       ASN  89   2.341  11.318   7.459
  627   2HB   ASN  89          2HB       ASN  89   2.319  12.051   5.855
  628   1HD2  ASN  89          2HD2      ASN  89   1.040  14.813   7.800
  629   2HD2  ASN  89          1HD2      ASN  89   2.493  14.125   7.254
  630    H    THR  90           H        THR  90  -0.185   8.271   6.426
  631    HA   THR  90           HA       THR  90  -0.647   8.509   9.347
  632    HB   THR  90           HB       THR  90  -2.749   9.268   8.288
  633    HG1  THR  90           HG1      THR  90  -2.931   8.111  10.191
  634   1HG2  THR  90          1HG2      THR  90  -2.125   7.366   6.366
  635   2HG2  THR  90          3HG2      THR  90  -3.485   6.645   7.227
  636   3HG2  THR  90          2HG2      THR  90  -3.652   8.240   6.491
  637    H    MET  91           H        MET  91  -1.394   6.334  10.235
  638    HA   MET  91           HA       MET  91  -0.769   3.986   8.586
  639   1HB   MET  91          1HB       MET  91   0.993   3.163  10.120
  640   2HB   MET  91          2HB       MET  91   1.474   4.675   9.351
  641   1HG   MET  91          2HG       MET  91   1.335   5.875  11.308
  642   2HG   MET  91          1HG       MET  91   0.020   4.887  11.943
  643   1HE   MET  91          1HE       MET  91   2.143   6.018  13.518
  644   2HE   MET  91          3HE       MET  91   3.348   4.923  14.207
  645   3HE   MET  91          2HE       MET  91   3.668   5.744  12.682
  646    H    PHE  92           H        PHE  92  -1.067   1.939  10.041
  647    HA   PHE  92           HA       PHE  92  -2.390   2.137  12.561
  648   1HB   PHE  92          1HB       PHE  92  -4.742   1.610  11.745
  649   2HB   PHE  92          2HB       PHE  92  -4.201   3.270  11.486
  650    HD1  PHE  92           HD1      PHE  92  -4.204  -0.071   9.775
  651    HD2  PHE  92           HD2      PHE  92  -4.362   4.195   9.352
  652    HE1  PHE  92           HE1      PHE  92  -4.581  -0.328   7.348
  653    HE2  PHE  92           HE2      PHE  92  -4.723   3.936   6.912
  654    HZ   PHE  92           HZ       PHE  92  -4.792   1.666   5.912
  655    H    GLU  93           H        GLU  93  -3.091   0.073  13.329
  656    HA   GLU  93           HA       GLU  93  -1.832  -2.174  11.936
  657   1HB   GLU  93          1HB       GLU  93  -3.332  -1.891  14.548
  658   2HB   GLU  93          2HB       GLU  93  -2.816  -3.462  13.933
  659   1HG   GLU  93          1HG       GLU  93  -0.549  -2.955  14.159
  660   2HG   GLU  93          2HG       GLU  93  -0.830  -1.214  14.096
  661    H    TYR  94           H        TYR  94  -2.943  -3.074  10.247
  662    HA   TYR  94           HA       TYR  94  -5.913  -3.264  10.514
  663   1HB   TYR  94          1HB       TYR  94  -4.320  -2.235   8.430
  664   2HB   TYR  94          2HB       TYR  94  -4.924  -3.785   7.842
  665    HD1  TYR  94           HD1      TYR  94  -6.346  -1.109  10.057
  666    HD2  TYR  94           HD2      TYR  94  -6.821  -3.504   6.522
  667    HE1  TYR  94           HE1      TYR  94  -8.571  -0.091   9.668
  668    HE2  TYR  94           HE2      TYR  94  -9.047  -2.491   6.128
  669    HH   TYR  94           HH       TYR  94 -10.086   0.051   7.016
  670    H    THR  95           H        THR  95  -6.654  -5.177   8.921
  671    HA   THR  95           HA       THR  95  -4.884  -7.531   9.208
  672    HB   THR  95           HB       THR  95  -7.698  -7.402  10.346
  673    HG1  THR  95           HG1      THR  95  -6.207  -6.538  11.750
  674   1HG2  THR  95          1HG2      THR  95  -7.036  -9.557   9.169
  675   2HG2  THR  95          3HG2      THR  95  -5.761  -9.728  10.377
  676   3HG2  THR  95          2HG2      THR  95  -7.454  -9.728  10.873
  677    H    PHE  96           H        PHE  96  -4.816  -8.149   7.092
  678    HA   PHE  96           HA       PHE  96  -7.105  -7.705   5.318
  679   1HB   PHE  96          1HB       PHE  96  -4.461  -9.137   4.906
  680   2HB   PHE  96          2HB       PHE  96  -5.668  -8.939   3.645
  681    HD1  PHE  96           HD1      PHE  96  -6.188  -6.015   5.315
  682    HD2  PHE  96           HD2      PHE  96  -3.070  -7.930   3.055
  683    HE1  PHE  96           HE1      PHE  96  -5.230  -3.800   4.754
  684    HE2  PHE  96           HE2      PHE  96  -2.115  -5.711   2.499
  685    HZ   PHE  96           HZ       PHE  96  -3.192  -3.645   3.347
  686    H    ASP  97           H        ASP  97  -8.794  -8.983   6.148
  687    HA   ASP  97           HA       ASP  97  -8.292 -11.932   6.136
  688   1HB   ASP  97          1HB       ASP  97  -9.042 -10.681   8.313
  689   2HB   ASP  97          2HB       ASP  97 -10.627 -10.653   7.541
  690    H    TYR  98           H        TYR  98  -8.996 -10.235   3.823
  691    HA   TYR  98           HA       TYR  98 -11.815 -10.804   3.272
  692   1HB   TYR  98          1HB       TYR  98 -11.530  -9.542   1.332
  693   2HB   TYR  98          2HB       TYR  98 -10.228  -8.878   2.310
  694    HD1  TYR  98           HD2      TYR  98  -8.197 -11.020   2.179
  695    HD2  TYR  98           HD1      TYR  98 -10.765  -9.460  -0.879
  696    HE1  TYR  98           HE2      TYR  98  -6.572 -11.748   0.458
  697    HE2  TYR  98           HE1      TYR  98  -9.136 -10.178  -2.614
  698    HH   TYR  98           HH       TYR  98  -7.187 -12.201  -2.573
  699    H    GLN  99           H        GLN  99 -12.428 -12.279   1.483
  700    HA   GLN  99           HA       GLN  99 -12.290 -14.811   1.399
  701   1HB   GLN  99          1HB       GLN  99 -11.789 -14.996  -1.037
  702   2HB   GLN  99          2HB       GLN  99 -12.918 -13.695  -0.656
  703   1HG   GLN  99          1HG       GLN  99 -11.535 -12.212  -1.623
  704   2HG   GLN  99          2HG       GLN  99 -10.276 -12.636  -0.463
  705   1HE2  GLN  99          2HE2      GLN  99  -9.203 -13.429  -4.031
  706   2HE2  GLN  99          1HE2      GLN  99  -9.889 -12.035  -3.346
  707    H    MET 100           H        MET 100 -10.403 -15.007   3.024
  708    HA   MET 100           HA       MET 100  -8.389 -16.721   1.949
  709   1HB   MET 100          1HB       MET 100  -7.846 -13.979   1.507
  710   2HB   MET 100          2HB       MET 100  -6.830 -14.449   2.869
  711   1HG   MET 100          2HG       MET 100  -6.774 -16.539   0.886
  712   2HG   MET 100          1HG       MET 100  -6.397 -15.000   0.115
  713   1HE   MET 100          1HE       MET 100  -5.105 -13.243   1.369
  714   2HE   MET 100          3HE       MET 100  -5.058 -13.609   3.099
  715   3HE   MET 100          2HE       MET 100  -3.564 -13.543   2.168
  716    H    THR 101           H        THR 101  -6.302 -16.047   3.818
  717    HA   THR 101           HA       THR 101  -7.629 -16.913   6.317
  718    HB   THR 101           HB       THR 101  -4.847 -16.645   6.739
  719    HG1  THR 101           HG1      THR 101  -4.212 -18.037   4.904
  720   1HG2  THR 101          2HG2      THR 101  -6.750 -18.474   7.240
  721   2HG2  THR 101          1HG2      THR 101  -5.973 -19.257   5.866
  722   3HG2  THR 101          3HG2      THR 101  -5.031 -18.863   7.304
  723    HA   PRO 102           HA       PRO 102  -7.107 -13.046   8.357
  724   1HB   PRO 102          1HB       PRO 102  -6.114 -13.731  10.824
  725   2HB   PRO 102          2HB       PRO 102  -7.787 -14.027  10.327
  726   1HG   PRO 102          1HG       PRO 102  -5.548 -15.970  10.622
  727   2HG   PRO 102          2HG       PRO 102  -7.294 -16.247  10.726
  728   1HD   PRO 102          1HD       PRO 102  -5.633 -16.847   8.505
  729   2HD   PRO 102          2HD       PRO 102  -7.410 -16.851   8.519
  730    H    THR 103           H        THR 103  -5.475 -11.820   7.346
  731    HA   THR 103           HA       THR 103  -2.649 -12.397   8.079
  732    HB   THR 103           HB       THR 103  -3.912 -10.702   5.908
  733    HG1  THR 103           HG1      THR 103  -1.986 -12.760   5.733
  734   1HG2  THR 103          3HG2      THR 103  -1.949  -9.496   6.878
  735   2HG2  THR 103          2HG2      THR 103  -0.950 -10.913   6.559
  736   3HG2  THR 103          1HG2      THR 103  -1.664 -10.014   5.219
  737    H    LYS 104           H        LYS 104  -1.383 -10.836   9.118
  738    HA   LYS 104           HA       LYS 104  -2.876  -8.468  10.175
  739   1HB   LYS 104          1HB       LYS 104  -1.890 -10.509  11.707
  740   2HB   LYS 104          2HB       LYS 104  -0.505  -9.417  11.681
  741   1HG   LYS 104          1HG       LYS 104  -1.598  -8.410  13.413
  742   2HG   LYS 104          2HG       LYS 104  -2.511  -7.640  12.117
  743   1HD   LYS 104          1HD       LYS 104  -4.354  -8.540  13.065
  744   2HD   LYS 104          2HD       LYS 104  -3.787 -10.087  12.434
  745   1HE   LYS 104          1HE       LYS 104  -2.818 -10.712  14.474
  746   2HE   LYS 104          2HE       LYS 104  -2.738  -9.049  15.055
  747   1HZ   LYS 104          1HZ       LYS 104  -5.155  -9.023  15.184
  748   2HZ   LYS 104          3HZ       LYS 104  -5.218 -10.631  14.647
  749   3HZ   LYS 104          2HZ       LYS 104  -4.508 -10.265  16.146
  750    H    VAL 105           H        VAL 105  -1.854  -6.490   9.839
  751    HA   VAL 105           HA       VAL 105   1.021  -6.467   9.154
  752    HB   VAL 105           HB       VAL 105   0.720  -5.410   7.001
  753   1HG1  VAL 105          1HG1      VAL 105   0.586  -7.933   7.155
  754   2HG1  VAL 105          3HG1      VAL 105  -1.168  -7.776   7.123
  755   3HG1  VAL 105          2HG1      VAL 105  -0.212  -7.255   5.737
  756   1HG2  VAL 105          1HG2      VAL 105  -2.041  -5.100   7.968
  757   2HG2  VAL 105          3HG2      VAL 105  -1.152  -4.144   6.781
  758   3HG2  VAL 105          2HG2      VAL 105  -1.941  -5.644   6.293
  759    H    LYS 106           H        LYS 106   1.953  -4.445   9.456
  760    HA   LYS 106           HA       LYS 106   0.209  -2.383  10.707
  761   1HB   LYS 106          1HB       LYS 106   2.356  -1.283  11.340
  762   2HB   LYS 106          2HB       LYS 106   2.288  -2.936  11.948
  763   1HG   LYS 106          1HG       LYS 106   3.378  -3.150   9.373
  764   2HG   LYS 106          2HG       LYS 106   4.180  -1.752  10.089
  765   1HD   LYS 106          1HD       LYS 106   3.923  -4.471  11.414
  766   2HD   LYS 106          2HD       LYS 106   5.369  -3.885  10.588
  767   1HE   LYS 106          1HE       LYS 106   5.269  -1.869  12.171
  768   2HE   LYS 106          2HE       LYS 106   4.090  -2.794  13.100
  769   1HZ   LYS 106          2HZ       LYS 106   6.378  -4.365  12.443
  770   2HZ   LYS 106          1HZ       LYS 106   6.818  -2.964  13.296
  771   3HZ   LYS 106          3HZ       LYS 106   5.692  -4.040  13.964
  772    H    VAL 107           H        VAL 107  -0.594  -0.982   9.185
  773    HA   VAL 107           HA       VAL 107   0.757  -0.828   6.585
  774    HB   VAL 107           HB       VAL 107  -1.298  -0.185   5.729
  775   1HG1  VAL 107          1HG1      VAL 107  -1.673  -1.978   7.588
  776   2HG1  VAL 107          3HG1      VAL 107  -2.597  -0.681   8.340
  777   3HG1  VAL 107          2HG1      VAL 107  -3.027  -1.252   6.726
  778   1HG2  VAL 107          3HG2      VAL 107  -1.000   2.104   7.064
  779   2HG2  VAL 107          2HG2      VAL 107  -2.510   1.650   6.330
  780   3HG2  VAL 107          1HG2      VAL 107  -2.268   1.402   8.058
  781    H    HIS 108           H        HIS 108   1.062   1.298   5.542
  782    HA   HIS 108           HA       HIS 108   1.422   3.678   7.205
  783   1HB   HIS 108          1HB       HIS 108   3.530   2.531   7.751
  784   2HB   HIS 108          2HB       HIS 108   3.859   2.282   6.036
  785    HD1  HIS 108           HD1      HIS 108   6.093   3.748   6.750
  786    HD2  HIS 108           HD2      HIS 108   2.464   5.797   6.562
  787    HE1  HIS 108           HE1      HIS 108   6.666   6.211   6.607
  788    H    MET 109           H        MET 109   0.220   4.853   5.691
  789    HA   MET 109           HA       MET 109   1.130   4.676   2.847
  790   1HB   MET 109          1HB       MET 109  -1.423   6.032   3.179
  791   2HB   MET 109          2HB       MET 109  -1.036   4.638   2.192
  792   1HG   MET 109          2HG       MET 109  -2.226   3.336   3.595
  793   2HG   MET 109          1HG       MET 109  -1.144   3.729   4.914
  794   1HE   MET 109          3HE       MET 109  -4.163   3.355   3.693
  795   2HE   MET 109          2HE       MET 109  -5.274   4.111   4.830
  796   3HE   MET 109          1HE       MET 109  -4.871   4.934   3.326
  797    H    LYS 110           H        LYS 110   1.439   6.688   1.637
  798    HA   LYS 110           HA       LYS 110   1.112   9.181   3.258
  799   1HB   LYS 110          1HB       LYS 110   3.555   7.991   3.212
  800   2HB   LYS 110          2HB       LYS 110   3.675   9.008   1.779
  801   1HG   LYS 110          1HG       LYS 110   3.125  10.983   3.089
  802   2HG   LYS 110          2HG       LYS 110   2.835   9.992   4.517
  803   1HD   LYS 110          1HD       LYS 110   5.254   9.173   4.239
  804   2HD   LYS 110          2HD       LYS 110   5.458  10.519   3.117
  805   1HE   LYS 110          1HE       LYS 110   5.708  11.950   4.833
  806   2HE   LYS 110          2HE       LYS 110   4.142  11.470   5.488
  807   1HZ   LYS 110          2HZ       LYS 110   5.312   9.481   6.422
  808   2HZ   LYS 110          1HZ       LYS 110   6.781  10.224   6.000
  809   3HZ   LYS 110          3HZ       LYS 110   5.747  10.968   7.121
  810    H    LYS 111           H        LYS 111   1.880  11.115   1.659
  811    HA   LYS 111           HA       LYS 111   0.272  10.730  -0.767
  812   1HB   LYS 111          1HB       LYS 111   0.857  13.170  -1.152
  813   2HB   LYS 111          2HB       LYS 111  -0.019  12.843   0.343
  814   1HG   LYS 111          1HG       LYS 111   1.688  13.621   1.591
  815   2HG   LYS 111          2HG       LYS 111   2.840  12.580   0.753
  816   1HD   LYS 111          1HD       LYS 111   2.906  14.227  -1.121
  817   2HD   LYS 111          2HD       LYS 111   1.855  15.289  -0.185
  818   1HE   LYS 111          1HE       LYS 111   3.555  15.978   1.142
  819   2HE   LYS 111          2HE       LYS 111   4.172  14.337   1.338
  820   1HZ   LYS 111          1HZ       LYS 111   4.505  15.689  -1.246
  821   2HZ   LYS 111          3HZ       LYS 111   5.536  16.108   0.033
  822   3HZ   LYS 111          2HZ       LYS 111   5.476  14.501  -0.517
  823    H    ALA 112           H        ALA 112   1.302   9.626  -2.347
  824    HA   ALA 112           HA       ALA 112   4.056   9.333  -2.733
  825   1HB   ALA 112          2HB       ALA 112   1.940   8.263  -3.911
  826   2HB   ALA 112          1HB       ALA 112   2.296   9.482  -5.135
  827   3HB   ALA 112          3HB       ALA 112   3.514   8.282  -4.705
  828    H    LEU 113           H        LEU 113   5.517  10.298  -4.272
  829    HA   LEU 113           HA       LEU 113   4.989  13.202  -4.639
  830   1HB   LEU 113          1HB       LEU 113   7.242  11.740  -3.784
  831   2HB   LEU 113          2HB       LEU 113   7.653  12.356  -5.385
  832    HG   LEU 113           HG       LEU 113   6.296  14.245  -3.526
  833   1HD1  LEU 113          2HD1      LEU 113   9.174  13.338  -3.219
  834   2HD1  LEU 113          1HD1      LEU 113   8.516  14.806  -2.496
  835   3HD1  LEU 113          3HD1      LEU 113   7.897  13.228  -2.008
  836   1HD2  LEU 113          1HD2      LEU 113   7.738  14.302  -5.982
  837   2HD2  LEU 113          3HD2      LEU 113   7.023  15.663  -5.118
  838   3HD2  LEU 113          2HD2      LEU 113   8.692  15.195  -4.796
  839    H    SER 114           H        SER 114   5.143  10.263  -6.424
  840    HA   SER 114           HA       SER 114   6.168  11.017  -8.918
  841   1HB   SER 114          1HB       SER 114   5.437   8.745  -8.551
  842   2HB   SER 114          2HB       SER 114   3.780   9.269  -8.260
  843    HG   SER 114           HG       SER 114   3.483   9.231 -10.332
  844    H    GLY 115           H        GLY 115   3.227  12.055  -7.366
  845   1HA   GLY 115          1HA       GLY 115   2.830  14.325  -8.958
  846   2HA   GLY 115          2HA       GLY 115   1.884  13.044  -9.719
  847    H    ASP 116           H        ASP 116   2.527  13.747  -6.277
  848    HA   ASP 116           HA       ASP 116   1.028  14.015  -4.493
  849   1HB   ASP 116          1HB       ASP 116  -0.380  15.325  -6.803
  850   2HB   ASP 116          2HB       ASP 116  -1.231  15.125  -5.272
  851    H    SER 117           H        SER 117   1.130  11.472  -5.169
  852    HA   SER 117           HA       SER 117  -1.625  10.535  -5.778
  853   1HB   SER 117          1HB       SER 117   0.504   8.533  -5.380
  854   2HB   SER 117          2HB       SER 117  -0.672   8.679  -6.682
  855    HG   SER 117           HG       SER 117   0.615  10.155  -7.678
  856    H    TYR 118           H        TYR 118  -1.324   8.009  -4.463
  857    HA   TYR 118           HA       TYR 118  -1.025   8.674  -1.579
  858   1HB   TYR 118          1HB       TYR 118  -3.513   7.283  -2.593
  859   2HB   TYR 118          2HB       TYR 118  -3.262   8.015  -1.006
  860    HD1  TYR 118           HD2      TYR 118  -2.878  10.591  -0.967
  861    HD2  TYR 118           HD1      TYR 118  -4.509   8.438  -4.305
  862    HE1  TYR 118           HE2      TYR 118  -3.863  12.683  -1.844
  863    HE2  TYR 118           HE1      TYR 118  -5.488  10.517  -5.175
  864    HH   TYR 118           HH       TYR 118  -5.346  12.837  -5.016
  865    H    TRP 119           H        TRP 119   0.612   7.091  -1.240
  866    HA   TRP 119           HA       TRP 119  -0.047   4.394  -2.230
  867   1HB   TRP 119          1HB       TRP 119   2.365   3.849  -1.889
  868   2HB   TRP 119          2HB       TRP 119   2.016   5.004  -3.162
  869    HD1  TRP 119           HD1      TRP 119   3.358   7.141  -3.075
  870    HE1  TRP 119           HE1      TRP 119   4.893   8.286  -1.359
  871    HE3  TRP 119           HE3      TRP 119   2.525   4.122   0.792
  872    HZ2  TRP 119           HZ2      TRP 119   5.683   7.895   1.388
  873    HZ3  TRP 119           HZ3      TRP 119   3.669   4.463   2.986
  874    HH2  TRP 119           HH2      TRP 119   5.244   6.348   3.281
  875    H    VAL 120           H        VAL 120  -0.052   2.605  -1.006
  876    HA   VAL 120           HA       VAL 120   0.049   3.050   1.944
  877    HB   VAL 120           HB       VAL 120  -1.729   1.108   0.424
  878   1HG1  VAL 120          3HG1      VAL 120  -1.039   1.537   3.247
  879   2HG1  VAL 120          2HG1      VAL 120  -2.775   1.508   2.937
  880   3HG1  VAL 120          1HG1      VAL 120  -1.771   0.137   2.465
  881   1HG2  VAL 120          3HG2      VAL 120  -2.010   3.906   0.734
  882   2HG2  VAL 120          2HG2      VAL 120  -3.233   2.765   0.183
  883   3HG2  VAL 120          1HG2      VAL 120  -3.119   3.174   1.893
  884    H    PHE 121           H        PHE 121   1.936   2.092   2.571
  885    HA   PHE 121           HA       PHE 121   2.865  -0.398   1.272
  886   1HB   PHE 121          1HB       PHE 121   4.170   1.121   3.545
  887   2HB   PHE 121          2HB       PHE 121   4.909  -0.110   2.531
  888    HD1  PHE 121           HD1      PHE 121   3.318   1.161   0.006
  889    HD2  PHE 121           HD2      PHE 121   6.067   2.611   2.961
  890    HE1  PHE 121           HE1      PHE 121   4.098   2.898  -1.582
  891    HE2  PHE 121           HE2      PHE 121   6.827   4.369   1.384
  892    HZ   PHE 121           HZ       PHE 121   5.850   4.497  -0.887
  893    H    VAL 122           H        VAL 122   2.311  -2.349   2.160
  894    HA   VAL 122           HA       VAL 122   1.454  -2.308   4.996
  895    HB   VAL 122           HB       VAL 122   0.627  -3.860   2.610
  896   1HG1  VAL 122          2HG1      VAL 122   1.237  -5.220   5.200
  897   2HG1  VAL 122          1HG1      VAL 122  -0.275  -5.639   4.402
  898   3HG1  VAL 122          3HG1      VAL 122   1.259  -5.868   3.563
  899   1HG2  VAL 122          3HG2      VAL 122  -0.502  -2.248   4.629
  900   2HG2  VAL 122          2HG2      VAL 122  -1.341  -3.045   3.298
  901   3HG2  VAL 122          1HG2      VAL 122  -1.179  -3.861   4.854
  902    H    LYS 123           H        LYS 123   2.862  -2.923   6.424
  903    HA   LYS 123           HA       LYS 123   5.163  -4.633   5.610
  904   1HB   LYS 123          1HB       LYS 123   5.227  -2.393   7.054
  905   2HB   LYS 123          2HB       LYS 123   4.850  -3.505   8.364
  906   1HG   LYS 123          1HG       LYS 123   6.942  -4.289   8.410
  907   2HG   LYS 123          2HG       LYS 123   6.920  -4.595   6.674
  908   1HD   LYS 123          1HD       LYS 123   7.480  -2.248   6.230
  909   2HD   LYS 123          2HD       LYS 123   7.430  -1.894   7.952
  910   1HE   LYS 123          1HE       LYS 123   9.719  -2.492   6.638
  911   2HE   LYS 123          2HE       LYS 123   9.474  -2.842   8.346
  912   1HZ   LYS 123          1HZ       LYS 123   8.834  -4.761   6.173
  913   2HZ   LYS 123          3HZ       LYS 123  10.321  -4.738   6.990
  914   3HZ   LYS 123          2HZ       LYS 123   8.890  -5.071   7.841
  915    H    ARG 124           H        ARG 124   4.556  -6.798   5.744
  916    HA   ARG 124           HA       ARG 124   2.485  -7.828   7.365
  917   1HB   ARG 124          1HB       ARG 124   3.477  -9.163   5.583
  918   2HB   ARG 124          2HB       ARG 124   5.022  -9.207   6.431
  919   1HG   ARG 124          1HG       ARG 124   4.227 -10.658   8.081
  920   2HG   ARG 124          2HG       ARG 124   2.544 -10.202   7.810
  921   1HD   ARG 124          1HD       ARG 124   2.272 -11.748   6.177
  922   2HD   ARG 124          2HD       ARG 124   3.828 -11.365   5.439
  923    HE   ARG 124           HE       ARG 124   4.481 -12.742   7.769
  924   1HH1  ARG 124          1HH2      ARG 124   1.832 -14.122   7.230
  925   2HH1  ARG 124          2HH2      ARG 124   2.338 -15.465   6.260
  926   1HH2  ARG 124          2HH1      ARG 124   5.453 -14.119   5.546
  927   2HH2  ARG 124          1HH1      ARG 124   4.386 -15.464   5.307
  928    H    VAL 125           H        VAL 125   2.331  -8.414   9.488
  929    HA   VAL 125           HA       VAL 125   4.648  -7.726  11.216
  930    HB   VAL 125           HB       VAL 125   2.071  -8.557  12.457
  931   1HG1  VAL 125          3HG1      VAL 125   3.988  -7.718  13.752
  932   2HG1  VAL 125          2HG1      VAL 125   3.952  -6.214  12.830
  933   3HG1  VAL 125          1HG1      VAL 125   2.607  -6.631  13.892
  934   1HG2  VAL 125          2HG2      VAL 125   2.329  -6.249  10.573
  935   2HG2  VAL 125          1HG2      VAL 125   0.924  -7.250  10.934
  936   3HG2  VAL 125          3HG2      VAL 125   1.426  -5.999  12.067
  937    H2   HC4  69           H2       HC4  69  -7.199  -5.274   2.862
  938    H3   HC4  69           H3       HC4  69  -8.660  -7.728   1.763
  939    H2'  HC4  69           H2'      HC4  69  -7.473  -8.828  -0.060
  940    H3'  HC4  69           H3'      HC4  69  -5.556  -9.012  -1.637
  941    H5'  HC4  69           H5'      HC4  69  -3.750  -5.511   0.120
  942    H6'  HC4  69           H6'      HC4  69  -5.681  -5.316   1.709
   
  No H/Q in entry =         942
  Start of MODEL   17
    1   1H    MET   1           H2       MET   1  15.329   6.099  18.300
    2   2H    MET   1           H1       MET   1  16.637   6.837  17.502
    3   3H    MET   1           H3       MET   1  15.140   6.689  16.717
    4    HA   MET   1           HA       MET   1  16.471   5.013  15.794
    5   1HB   MET   1          1HB       MET   1  17.821   5.194  18.232
    6   2HB   MET   1          2HB       MET   1  17.130   3.570  18.244
    7   1HG   MET   1          2HG       MET   1  19.331   3.505  17.184
    8   2HG   MET   1          1HG       MET   1  18.088   3.185  15.974
    9   1HE   MET   1          3HE       MET   1  19.982   3.360  14.655
   10   2HE   MET   1          2HE       MET   1  20.016   4.724  13.541
   11   3HE   MET   1          1HE       MET   1  21.215   4.616  14.828
   12    H    GLU   2           H        GLU   2  15.149   3.413  15.062
   13    HA   GLU   2           HA       GLU   2  13.744   1.603  16.812
   14   1HB   GLU   2          1HB       GLU   2  11.432   2.450  15.753
   15   2HB   GLU   2          2HB       GLU   2  12.041   3.080  17.281
   16   1HG   GLU   2          1HG       GLU   2  12.500   5.136  16.401
   17   2HG   GLU   2          2HG       GLU   2  13.030   4.469  14.857
   18    H    HIS   3           H        HIS   3  12.557   2.945  13.730
   19    HA   HIS   3           HA       HIS   3  13.523   0.476  12.369
   20   1HB   HIS   3          1HB       HIS   3  10.719   1.601  12.103
   21   2HB   HIS   3          2HB       HIS   3  11.355   0.176  11.284
   22    HD1  HIS   3           HD1      HIS   3  12.115  -1.842  12.935
   23    HD2  HIS   3           HD2      HIS   3   9.670   1.082  14.621
   24    HE1  HIS   3           HE1      HIS   3  11.178  -2.835  15.069
   25    H    VAL   4           H        VAL   4  12.638   0.898   9.854
   26    HA   VAL   4           HA       VAL   4  13.737   3.594   9.168
   27    HB   VAL   4           HB       VAL   4  15.176   1.767   8.372
   28   1HG1  VAL   4          2HG1      VAL   4  12.652   0.504   7.881
   29   2HG1  VAL   4          1HG1      VAL   4  13.527   0.592   6.355
   30   3HG1  VAL   4          3HG1      VAL   4  14.261  -0.198   7.752
   31   1HG2  VAL   4          3HG2      VAL   4  13.775   3.626   6.602
   32   2HG2  VAL   4          2HG2      VAL   4  15.488   3.207   6.654
   33   3HG2  VAL   4          1HG2      VAL   4  14.362   2.204   5.739
   34    H    ALA   5           H        ALA   5  11.673   4.663   9.141
   35    HA   ALA   5           HA       ALA   5   9.668   5.365   8.103
   36   1HB   ALA   5          3HB       ALA   5  11.095   5.280   6.052
   37   2HB   ALA   5          2HB       ALA   5  10.657   3.588   5.849
   38   3HB   ALA   5          1HB       ALA   5   9.423   4.833   5.718
   39    H    PHE   6           H        PHE   6   9.228   3.229   9.902
   40    HA   PHE   6           HA       PHE   6   7.584   1.567  10.307
   41   1HB   PHE   6          1HB       PHE   6   5.723   2.397   9.331
   42   2HB   PHE   6          2HB       PHE   6   6.628   3.114   8.025
   43    HD1  PHE   6           HD2      PHE   6   7.075   1.629   5.863
   44    HD2  PHE   6           HD1      PHE   6   4.420   0.480   9.065
   45    HE1  PHE   6           HE2      PHE   6   5.897   0.110   4.345
   46    HE2  PHE   6           HE1      PHE   6   3.255  -1.037   7.503
   47    HZ   PHE   6           HZ       PHE   6   3.978  -1.225   5.153
   48    H    GLY   7           H        GLY   7  10.224   1.354   8.643
   49   1HA   GLY   7          1HA       GLY   7  11.366  -0.779   8.401
   50   2HA   GLY   7          2HA       GLY   7   9.847  -1.486   7.872
   51    H    SER   8           H        SER   8   9.673   1.297   6.277
   52    HA   SER   8           HA       SER   8  10.618   0.135   3.797
   53   1HB   SER   8          1HB       SER   8   9.903   2.520   2.943
   54   2HB   SER   8          2HB       SER   8   8.691   1.322   3.361
   55    HG   SER   8           HG       SER   8   8.395   3.441   4.296
   56    H    GLU   9           H        GLU   9  12.179   0.873   2.408
   57    HA   GLU   9           HA       GLU   9  14.353   2.485   3.646
   58   1HB   GLU   9          1HB       GLU   9  14.140   0.488   1.420
   59   2HB   GLU   9          2HB       GLU   9  15.397   1.719   1.301
   60   1HG   GLU   9          1HG       GLU   9  15.170   0.428   3.955
   61   2HG   GLU   9          2HG       GLU   9  15.704  -0.635   2.653
   62    H    ASP  10           H        ASP  10  12.264   4.129   3.100
   63    HA   ASP  10           HA       ASP  10  11.660   6.027   1.837
   64   1HB   ASP  10          1HB       ASP  10  14.497   5.683   1.468
   65   2HB   ASP  10          2HB       ASP  10  13.780   6.180  -0.066
   66    H    ILE  11           H        ILE  11  10.055   4.383   1.006
   67    HA   ILE  11           HA       ILE  11  10.566   3.035  -1.488
   68    HB   ILE  11           HB       ILE  11   7.837   3.638  -0.598
   69   1HG1  ILE  11          1HG1      ILE  11   8.848   3.090   1.525
   70   2HG1  ILE  11          2HG1      ILE  11   7.939   1.691   0.971
   71   1HG2  ILE  11          2HG2      ILE  11   8.888   2.064  -2.524
   72   2HG2  ILE  11          1HG2      ILE  11   8.687   0.911  -1.209
   73   3HG2  ILE  11          3HG2      ILE  11   7.297   1.814  -1.805
   74   1HD1  ILE  11          1HD1      ILE  11  10.052   0.791  -0.041
   75   2HD1  ILE  11          3HD1      ILE  11  10.925   2.112   0.731
   76   3HD1  ILE  11          2HD1      ILE  11  10.099   0.910   1.711
   77    H    GLU  12           H        GLU  12   8.365   5.708  -0.663
   78    HA   GLU  12           HA       GLU  12   7.308   6.367  -3.048
   79   1HB   GLU  12          1HB       GLU  12   7.013   7.701  -0.971
   80   2HB   GLU  12          2HB       GLU  12   8.591   8.442  -1.249
   81   1HG   GLU  12          1HG       GLU  12   7.382   8.809  -3.683
   82   2HG   GLU  12          2HG       GLU  12   6.012   8.963  -2.581
   83    H    ASN  13           H        ASN  13  10.723   6.902  -2.291
   84    HA   ASN  13           HA       ASN  13  11.159   8.327  -4.835
   85   1HB   ASN  13          1HB       ASN  13  12.741   7.708  -2.416
   86   2HB   ASN  13          2HB       ASN  13  13.661   7.668  -3.921
   87   1HD2  ASN  13          2HD2      ASN  13  13.913  11.178  -3.848
   88   2HD2  ASN  13          1HD2      ASN  13  14.686   9.682  -4.073
   89    H    THR  14           H        THR  14  11.886   5.183  -3.389
   90    HA   THR  14           HA       THR  14  13.191   4.061  -5.704
   91    HB   THR  14           HB       THR  14  11.935   2.940  -3.186
   92    HG1  THR  14           HG1      THR  14  14.199   2.274  -2.987
   93   1HG2  THR  14          3HG2      THR  14  13.027   1.404  -5.552
   94   2HG2  THR  14          2HG2      THR  14  12.999   0.727  -3.925
   95   3HG2  THR  14          1HG2      THR  14  11.490   1.177  -4.718
   96    H    LEU  15           H        LEU  15   9.942   4.867  -5.169
   97    HA   LEU  15           HA       LEU  15   8.937   2.663  -6.870
   98   1HB   LEU  15          1HB       LEU  15   7.404   4.885  -5.478
   99   2HB   LEU  15          2HB       LEU  15   6.714   3.450  -6.235
  100    HG   LEU  15           HG       LEU  15   8.754   3.188  -4.053
  101   1HD1  LEU  15          3HD1      LEU  15   6.238   4.439  -3.720
  102   2HD1  LEU  15          2HD1      LEU  15   6.072   2.805  -3.078
  103   3HD1  LEU  15          1HD1      LEU  15   7.322   3.873  -2.456
  104   1HD2  LEU  15          1HD2      LEU  15   6.896   1.474  -5.545
  105   2HD2  LEU  15          3HD2      LEU  15   8.398   1.057  -4.720
  106   3HD2  LEU  15          2HD2      LEU  15   6.896   1.198  -3.803
  107    H    ALA  16           H        ALA  16   9.799   6.018  -6.996
  108    HA   ALA  16           HA       ALA  16   8.246   6.649  -9.372
  109   1HB   ALA  16          1HB       ALA  16   9.897   8.062  -7.527
  110   2HB   ALA  16          3HB       ALA  16  10.579   8.305  -9.135
  111   3HB   ALA  16          2HB       ALA  16   8.898   8.733  -8.817
  112    H    LYS  17           H        LYS  17  11.433   5.332  -8.676
  113    HA   LYS  17           HA       LYS  17  11.767   4.872 -11.607
  114   1HB   LYS  17          1HB       LYS  17  13.757   6.017  -9.654
  115   2HB   LYS  17          2HB       LYS  17  14.292   5.170 -11.106
  116   1HG   LYS  17          1HG       LYS  17  13.369   6.763 -12.541
  117   2HG   LYS  17          2HG       LYS  17  12.218   7.330 -11.332
  118   1HD   LYS  17          1HD       LYS  17  15.219   7.727 -11.173
  119   2HD   LYS  17          2HD       LYS  17  14.070   8.952 -11.714
  120   1HE   LYS  17          1HE       LYS  17  13.576   9.502  -9.588
  121   2HE   LYS  17          2HE       LYS  17  13.198   7.825  -9.200
  122   1HZ   LYS  17          3HZ       LYS  17  15.683   7.490  -9.072
  123   2HZ   LYS  17          2HZ       LYS  17  15.825   9.183  -9.080
  124   3HZ   LYS  17          1HZ       LYS  17  14.985   8.405  -7.824
  125    H    MET  18           H        MET  18  11.051   3.292  -8.980
  126    HA   MET  18           HA       MET  18  11.409   1.094  -8.244
  127   1HB   MET  18          1HB       MET  18  11.857   1.124 -11.049
  128   2HB   MET  18          2HB       MET  18  13.101   0.104 -10.326
  129   1HG   MET  18          2HG       MET  18  11.340  -1.410 -10.629
  130   2HG   MET  18          1HG       MET  18  11.111  -0.906  -8.955
  131   1HE   MET  18          3HE       MET  18   9.553   0.221  -8.010
  132   2HE   MET  18          2HE       MET  18   9.471   1.807  -8.774
  133   3HE   MET  18          1HE       MET  18   8.014   0.825  -8.641
  134    H    ASP  19           H        ASP  19  13.175  -0.383  -7.504
  135    HA   ASP  19           HA       ASP  19  15.922   0.053  -7.656
  136   1HB   ASP  19          1HB       ASP  19  14.643   2.213  -6.261
  137   2HB   ASP  19          2HB       ASP  19  15.608   1.294  -5.105
  138    H    ASP  20           H        ASP  20  17.066  -1.228  -6.049
  139    HA   ASP  20           HA       ASP  20  17.221  -3.130  -4.671
  140   1HB   ASP  20          1HB       ASP  20  15.514  -1.188  -3.347
  141   2HB   ASP  20          2HB       ASP  20  15.051  -2.834  -2.914
  142    H    GLY  21           H        GLY  21  16.569  -4.613  -6.351
  143   1HA   GLY  21          1HA       GLY  21  15.226  -6.357  -7.171
  144   2HA   GLY  21          2HA       GLY  21  14.256  -6.185  -5.708
  145    H    GLN  22           H        GLN  22  14.708  -3.361  -7.663
  146    HA   GLN  22           HA       GLN  22  13.130  -2.034  -8.776
  147   1HB   GLN  22          1HB       GLN  22  12.431  -4.793  -9.807
  148   2HB   GLN  22          2HB       GLN  22  11.806  -3.294 -10.494
  149   1HG   GLN  22          1HG       GLN  22  14.761  -3.878 -10.197
  150   2HG   GLN  22          2HG       GLN  22  13.851  -4.216 -11.669
  151   1HE2  GLN  22          2HE2      GLN  22  13.382  -0.727 -12.457
  152   2HE2  GLN  22          1HE2      GLN  22  12.632  -2.242 -12.601
  153    H    LEU  23           H        LEU  23  12.389  -2.898  -6.101
  154    HA   LEU  23           HA       LEU  23  10.492  -2.860  -4.723
  155   1HB   LEU  23          1HB       LEU  23  10.014  -0.912  -6.368
  156   2HB   LEU  23          2HB       LEU  23   8.887  -2.026  -7.135
  157    HG   LEU  23           HG       LEU  23   7.763  -0.602  -5.469
  158   1HD1  LEU  23          1HD1      LEU  23   7.090  -3.008  -5.908
  159   2HD1  LEU  23          3HD1      LEU  23   7.911  -3.414  -4.401
  160   3HD1  LEU  23          2HD1      LEU  23   6.531  -2.315  -4.385
  161   1HD2  LEU  23          3HD2      LEU  23  10.031  -0.759  -4.013
  162   2HD2  LEU  23          2HD2      LEU  23   8.469  -0.360  -3.299
  163   3HD2  LEU  23          1HD2      LEU  23   9.083  -2.008  -3.208
  164    H    ASP  24           H        ASP  24  10.635  -5.233  -4.673
  165    HA   ASP  24           HA       ASP  24   8.138  -6.485  -5.406
  166   1HB   ASP  24          1HB       ASP  24  10.299  -6.627  -7.329
  167   2HB   ASP  24          2HB       ASP  24   9.916  -8.235  -6.717
  168    H    GLY  25           H        GLY  25  11.539  -6.940  -4.499
  169   1HA   GLY  25          1HA       GLY  25  10.817  -9.345  -2.925
  170   2HA   GLY  25          2HA       GLY  25  12.457  -8.754  -3.209
  171    H    LEU  26           H        LEU  26   9.981  -6.512  -2.225
  172    HA   LEU  26           HA       LEU  26  11.460  -5.802   0.153
  173   1HB   LEU  26          1HB       LEU  26   8.941  -4.857  -1.199
  174   2HB   LEU  26          2HB       LEU  26   9.249  -4.389   0.470
  175    HG   LEU  26           HG       LEU  26  11.646  -3.773  -0.526
  176   1HD1  LEU  26          2HD1      LEU  26   9.766  -3.884  -2.866
  177   2HD1  LEU  26          1HD1      LEU  26  11.023  -2.648  -2.824
  178   3HD1  LEU  26          3HD1      LEU  26  11.463  -4.356  -2.782
  179   1HD2  LEU  26          2HD2      LEU  26   9.241  -2.370   0.101
  180   2HD2  LEU  26          1HD2      LEU  26  10.888  -1.742   0.115
  181   3HD2  LEU  26          3HD2      LEU  26   9.914  -1.628  -1.351
  182    H    ALA  27           H        ALA  27  10.519  -5.899   2.260
  183    HA   ALA  27           HA       ALA  27   8.953  -8.363   2.732
  184   1HB   ALA  27          3HB       ALA  27  10.978  -7.787   4.125
  185   2HB   ALA  27          2HB       ALA  27  10.074  -6.418   4.772
  186   3HB   ALA  27          1HB       ALA  27   9.516  -8.064   5.071
  187    H    PHE  28           H        PHE  28   8.025  -5.503   1.744
  188    HA   PHE  28           HA       PHE  28   5.466  -5.601   3.126
  189   1HB   PHE  28          1HB       PHE  28   5.563  -3.125   3.634
  190   2HB   PHE  28          2HB       PHE  28   6.636  -4.100   4.623
  191    HD1  PHE  28           HD1      PHE  28   9.049  -4.530   3.457
  192    HD2  PHE  28           HD2      PHE  28   6.475  -1.146   2.809
  193    HE1  PHE  28           HE1      PHE  28  10.994  -3.203   2.696
  194    HE2  PHE  28           HE2      PHE  28   8.415   0.146   1.997
  195    HZ   PHE  28           HZ       PHE  28  10.681  -0.870   1.965
  196    H    GLY  29           H        GLY  29   4.188  -5.651   1.430
  197   1HA   GLY  29          1HA       GLY  29   4.774  -5.030  -1.215
  198   2HA   GLY  29          2HA       GLY  29   3.142  -5.004  -0.559
  199    H    ALA  30           H        ALA  30   4.079  -3.202  -2.578
  200    HA   ALA  30           HA       ALA  30   3.693  -0.682  -1.061
  201   1HB   ALA  30          2HB       ALA  30   6.035  -1.374  -2.654
  202   2HB   ALA  30          1HB       ALA  30   5.241   0.076  -3.270
  203   3HB   ALA  30          3HB       ALA  30   5.782   0.011  -1.592
  204    H    ILE  31           H        ILE  31   1.749   0.087  -1.773
  205    HA   ILE  31           HA       ILE  31   1.095  -0.377  -4.655
  206    HB   ILE  31           HB       ILE  31  -1.209  -0.590  -4.081
  207   1HG1  ILE  31          1HG1      ILE  31  -1.745  -0.391  -1.497
  208   2HG1  ILE  31          2HG1      ILE  31  -0.352   0.689  -1.505
  209   1HG2  ILE  31          3HG2      ILE  31   0.179  -2.552  -3.528
  210   2HG2  ILE  31          2HG2      ILE  31   0.424  -1.918  -1.904
  211   3HG2  ILE  31          1HG2      ILE  31  -1.187  -2.404  -2.424
  212   1HD1  ILE  31          3HD1      ILE  31  -2.189   1.186  -3.732
  213   2HD1  ILE  31          2HD1      ILE  31  -2.946   1.414  -2.155
  214   3HD1  ILE  31          1HD1      ILE  31  -1.496   2.324  -2.578
  215    H    GLN  32           H        GLN  32  -0.195   1.288  -5.700
  216    HA   GLN  32           HA       GLN  32   0.093   3.980  -4.436
  217   1HB   GLN  32          1HB       GLN  32   0.596   3.158  -7.304
  218   2HB   GLN  32          2HB       GLN  32   0.399   4.835  -6.808
  219   1HG   GLN  32          1HG       GLN  32   2.359   3.162  -5.300
  220   2HG   GLN  32          2HG       GLN  32   2.809   3.700  -6.918
  221   1HE2  GLN  32          2HE2      GLN  32   3.984   6.512  -4.988
  222   2HE2  GLN  32          1HE2      GLN  32   4.473   4.990  -5.554
  223    H    LEU  33           H        LEU  33  -1.487   5.560  -5.598
  224    HA   LEU  33           HA       LEU  33  -3.842   4.276  -6.783
  225   1HB   LEU  33          1HB       LEU  33  -3.945   5.605  -4.052
  226   2HB   LEU  33          2HB       LEU  33  -5.370   5.250  -5.022
  227    HG   LEU  33           HG       LEU  33  -3.372   3.189  -4.037
  228   1HD1  LEU  33          1HD1      LEU  33  -6.189   3.858  -3.147
  229   2HD1  LEU  33          3HD1      LEU  33  -5.264   2.461  -2.597
  230   3HD1  LEU  33          2HD1      LEU  33  -4.715   4.091  -2.207
  231   1HD2  LEU  33          2HD2      LEU  33  -5.249   3.120  -6.173
  232   2HD2  LEU  33          1HD2      LEU  33  -4.338   1.768  -5.500
  233   3HD2  LEU  33          3HD2      LEU  33  -5.934   2.162  -4.861
  234    H    ASP  34           H        ASP  34  -5.172   5.853  -7.845
  235    HA   ASP  34           HA       ASP  34  -4.209   8.670  -7.592
  236   1HB   ASP  34          1HB       ASP  34  -4.613   7.025 -10.044
  237   2HB   ASP  34          2HB       ASP  34  -5.029   8.735 -10.116
  238    H    GLY  35           H        GLY  35  -5.733  10.021  -7.130
  239   1HA   GLY  35          1HA       GLY  35  -7.782  10.850  -6.388
  240   2HA   GLY  35          2HA       GLY  35  -8.157  10.643  -8.092
  241    H    ASP  36           H        ASP  36  -9.068   8.528  -8.684
  242    HA   ASP  36           HA       ASP  36 -11.299   7.885  -6.981
  243   1HB   ASP  36          1HB       ASP  36 -10.229   6.524  -9.467
  244   2HB   ASP  36          2HB       ASP  36 -11.755   6.104  -8.687
  245    H    GLY  37           H        GLY  37  -8.119   6.902  -6.714
  246   1HA   GLY  37          1HA       GLY  37  -7.293   5.384  -5.083
  247   2HA   GLY  37          2HA       GLY  37  -8.909   4.693  -4.948
  248    H    ASN  38           H        ASN  38  -7.758   5.141  -8.177
  249    HA   ASN  38           HA       ASN  38  -7.825   2.261  -8.624
  250   1HB   ASN  38          1HB       ASN  38  -6.967   2.921 -10.932
  251   2HB   ASN  38          2HB       ASN  38  -8.514   3.625 -10.461
  252   1HD2  ASN  38          2HD2      ASN  38  -7.319   6.918 -10.738
  253   2HD2  ASN  38          1HD2      ASN  38  -8.651   5.872 -10.638
  254    H    ILE  39           H        ILE  39  -6.141   0.863  -8.475
  255    HA   ILE  39           HA       ILE  39  -3.675   1.628  -7.306
  256    HB   ILE  39           HB       ILE  39  -4.944  -0.800  -8.060
  257   1HG1  ILE  39          1HG1      ILE  39  -2.318  -1.146  -6.846
  258   2HG1  ILE  39          2HG1      ILE  39  -3.218   0.172  -6.095
  259   1HG2  ILE  39          2HG2      ILE  39  -3.385  -0.660 -10.096
  260   2HG2  ILE  39          1HG2      ILE  39  -2.066  -0.911  -8.957
  261   3HG2  ILE  39          3HG2      ILE  39  -3.319  -2.139  -9.141
  262   1HD1  ILE  39          3HD1      ILE  39  -5.212  -1.565  -6.172
  263   2HD1  ILE  39          2HD1      ILE  39  -3.901  -2.742  -6.254
  264   3HD1  ILE  39          1HD1      ILE  39  -4.013  -1.643  -4.879
  265    H    LEU  40           H        LEU  40  -1.741   2.249  -8.108
  266    HA   LEU  40           HA       LEU  40  -1.549   2.666 -11.056
  267   1HB   LEU  40          1HB       LEU  40   0.441   3.782  -9.094
  268   2HB   LEU  40          2HB       LEU  40  -0.062   4.431 -10.650
  269    HG   LEU  40           HG       LEU  40  -1.869   4.306  -8.213
  270   1HD1  LEU  40          2HD1      LEU  40   0.328   5.945  -8.520
  271   2HD1  LEU  40          1HD1      LEU  40  -0.974   6.929  -9.188
  272   3HD1  LEU  40          3HD1      LEU  40  -1.086   6.322  -7.537
  273   1HD2  LEU  40          3HD2      LEU  40  -2.795   4.365 -10.632
  274   2HD2  LEU  40          2HD2      LEU  40  -3.397   5.569  -9.493
  275   3HD2  LEU  40          1HD2      LEU  40  -2.172   6.014 -10.681
  276    H    GLN  41           H        GLN  41  -0.209   1.085  -8.262
  277    HA   GLN  41           HA       GLN  41   1.153  -0.880  -9.904
  278   1HB   GLN  41          1HB       GLN  41   3.357  -0.469  -8.496
  279   2HB   GLN  41          2HB       GLN  41   3.085   0.396 -10.002
  280   1HG   GLN  41          1HG       GLN  41   3.523   2.243  -8.764
  281   2HG   GLN  41          2HG       GLN  41   1.874   2.063  -8.185
  282   1HE2  GLN  41          2HE2      GLN  41   2.854   0.743  -5.010
  283   2HE2  GLN  41          1HE2      GLN  41   1.605   0.718  -6.156
  284    H    TYR  42           H        TYR  42   2.400  -2.434  -8.194
  285    HA   TYR  42           HA       TYR  42   1.073  -2.428  -5.554
  286   1HB   TYR  42          1HB       TYR  42  -0.451  -3.475  -7.409
  287   2HB   TYR  42          2HB       TYR  42   0.651  -4.836  -7.311
  288    HD1  TYR  42           HD1      TYR  42  -1.597  -2.676  -5.272
  289    HD2  TYR  42           HD2      TYR  42   0.458  -6.436  -5.563
  290    HE1  TYR  42           HE1      TYR  42  -2.831  -3.505  -3.286
  291    HE2  TYR  42           HE2      TYR  42  -0.779  -7.265  -3.577
  292    HH   TYR  42           HH       TYR  42  -2.127  -6.692  -1.870
  293    H    ASN  43           H        ASN  43   2.903  -4.424  -7.866
  294    HA   ASN  43           HA       ASN  43   5.049  -5.345  -7.633
  295   1HB   ASN  43          1HB       ASN  43   6.417  -4.815  -5.900
  296   2HB   ASN  43          2HB       ASN  43   5.166  -3.634  -5.548
  297   1HD2  ASN  43          2HD2      ASN  43   6.040  -5.728  -2.492
  298   2HD2  ASN  43          1HD2      ASN  43   7.022  -4.935  -3.621
  299    H    ALA  44           H        ALA  44   5.980  -7.356  -6.292
  300    HA   ALA  44           HA       ALA  44   3.737  -9.289  -6.303
  301   1HB   ALA  44          3HB       ALA  44   5.776  -9.677  -7.697
  302   2HB   ALA  44          2HB       ALA  44   6.717  -9.815  -6.211
  303   3HB   ALA  44          1HB       ALA  44   5.449 -10.989  -6.564
  304    H    ALA  45           H        ALA  45   5.893  -7.830  -3.965
  305    HA   ALA  45           HA       ALA  45   5.990  -9.898  -2.039
  306   1HB   ALA  45          3HB       ALA  45   7.002  -7.439  -2.036
  307   2HB   ALA  45          2HB       ALA  45   5.554  -7.089  -1.094
  308   3HB   ALA  45          1HB       ALA  45   6.709  -8.294  -0.522
  309    H    GLU  46           H        GLU  46   3.720  -7.160  -1.851
  310    HA   GLU  46           HA       GLU  46   2.024  -8.427   0.044
  311   1HB   GLU  46          1HB       GLU  46   0.245  -6.789  -0.928
  312   2HB   GLU  46          2HB       GLU  46   1.647  -6.138  -0.110
  313   1HG   GLU  46          1HG       GLU  46   2.752  -5.813  -2.311
  314   2HG   GLU  46          2HG       GLU  46   1.281  -6.360  -3.098
  315    HE1  GLU  46           HE1      GLU  46  -0.072  -4.033  -0.680
  316    H    GLY  47           H        GLY  47   1.670  -8.138  -3.466
  317   1HA   GLY  47          1HA       GLY  47  -0.754  -9.643  -3.633
  318   2HA   GLY  47          2HA       GLY  47   0.400  -9.445  -4.962
  319    H    ASP  48           H        ASP  48   2.439 -10.686  -2.845
  320    HA   ASP  48           HA       ASP  48   2.070 -13.416  -3.851
  321   1HB   ASP  48          1HB       ASP  48   4.344 -12.508  -3.655
  322   2HB   ASP  48          2HB       ASP  48   4.116 -12.266  -1.922
  323    H    ILE  49           H        ILE  49   1.644 -11.669  -0.810
  324    HA   ILE  49           HA       ILE  49   1.024 -14.117   0.656
  325    HB   ILE  49           HB       ILE  49   1.658 -11.391   1.256
  326   1HG1  ILE  49          1HG1      ILE  49   2.115 -12.482   3.522
  327   2HG1  ILE  49          2HG1      ILE  49   1.564 -13.983   2.778
  328   1HG2  ILE  49          2HG2      ILE  49  -0.836 -12.463   2.547
  329   2HG2  ILE  49          1HG2      ILE  49   0.230 -11.353   3.410
  330   3HG2  ILE  49          3HG2      ILE  49  -0.531 -10.851   1.902
  331   1HD1  ILE  49          3HD1      ILE  49   3.485 -12.518   1.116
  332   2HD1  ILE  49          2HD1      ILE  49   4.152 -13.010   2.671
  333   3HD1  ILE  49          1HD1      ILE  49   3.472 -14.218   1.581
  334    H    THR  50           H        THR  50  -0.812 -11.199  -0.272
  335    HA   THR  50           HA       THR  50  -3.373 -12.464   0.333
  336    HB   THR  50           HB       THR  50  -4.359 -10.392  -0.388
  337    HG1  THR  50           HG1      THR  50  -1.828  -9.824  -1.531
  338   1HG2  THR  50          3HG2      THR  50  -2.373 -10.500   1.534
  339   2HG2  THR  50          2HG2      THR  50  -1.914  -9.107   0.555
  340   3HG2  THR  50          1HG2      THR  50  -3.510  -9.175   1.302
  341    H    GLY  51           H        GLY  51  -1.317 -12.157  -2.460
  342   1HA   GLY  51          1HA       GLY  51  -1.563 -13.585  -4.392
  343   2HA   GLY  51          2HA       GLY  51  -3.277 -13.724  -4.015
  344    H    ARG  52           H        ARG  52  -3.035 -10.619  -3.529
  345    HA   ARG  52           HA       ARG  52  -4.237  -9.786  -5.950
  346   1HB   ARG  52          1HB       ARG  52  -2.764  -8.214  -3.819
  347   2HB   ARG  52          2HB       ARG  52  -3.687  -7.466  -5.120
  348   1HG   ARG  52          1HG       ARG  52  -5.678  -7.990  -4.165
  349   2HG   ARG  52          2HG       ARG  52  -5.130  -9.595  -3.703
  350   1HD   ARG  52          1HD       ARG  52  -4.800  -8.923  -1.603
  351   2HD   ARG  52          2HD       ARG  52  -3.727  -7.659  -2.172
  352    HE   ARG  52           HE       ARG  52  -5.512  -6.088  -1.957
  353   1HH1  ARG  52          1HH2      ARG  52  -7.062  -8.953  -2.827
  354   2HH1  ARG  52          2HH2      ARG  52  -8.412  -8.741  -1.769
  355   1HH2  ARG  52          2HH1      ARG  52  -7.066  -6.009  -0.153
  356   2HH2  ARG  52          1HH1      ARG  52  -8.400  -7.100  -0.248
  357    H    ASP  53           H        ASP  53  -2.934 -10.502  -7.717
  358    HA   ASP  53           HA       ASP  53  -0.148  -9.954  -7.998
  359   1HB   ASP  53          1HB       ASP  53  -2.343 -10.873  -9.716
  360   2HB   ASP  53          2HB       ASP  53  -1.132  -9.929 -10.585
  361    HA   PRO  54           HA       PRO  54  -0.084  -5.699  -9.105
  362   1HB   PRO  54          1HB       PRO  54   1.870  -5.634 -11.037
  363   2HB   PRO  54          2HB       PRO  54   2.205  -5.851  -9.312
  364   1HG   PRO  54          1HG       PRO  54   2.286  -7.867 -11.506
  365   2HG   PRO  54          2HG       PRO  54   3.167  -7.846  -9.970
  366   1HD   PRO  54          1HD       PRO  54   0.871  -9.399 -10.546
  367   2HD   PRO  54          2HD       PRO  54   1.568  -9.120  -8.937
  368    H    LYS  55           H        LYS  55   0.227  -7.594 -12.148
  369    HA   LYS  55           HA       LYS  55  -1.030  -5.600 -13.766
  370   1HB   LYS  55          1HB       LYS  55  -1.179  -7.359 -15.471
  371   2HB   LYS  55          2HB       LYS  55   0.403  -7.390 -14.693
  372   1HG   LYS  55          1HG       LYS  55  -0.927  -9.077 -13.056
  373   2HG   LYS  55          2HG       LYS  55  -1.814  -9.363 -14.553
  374   1HD   LYS  55          1HD       LYS  55   0.246  -9.889 -15.733
  375   2HD   LYS  55          2HD       LYS  55   1.205  -9.472 -14.311
  376   1HE   LYS  55          1HE       LYS  55   0.676 -11.416 -13.213
  377   2HE   LYS  55          2HE       LYS  55  -0.938 -11.497 -13.921
  378   1HZ   LYS  55          3HZ       LYS  55   0.424 -11.891 -16.095
  379   2HZ   LYS  55          2HZ       LYS  55   1.623 -12.417 -15.012
  380   3HZ   LYS  55          1HZ       LYS  55   0.102 -13.175 -15.035
  381    H    GLN  56           H        GLN  56  -2.303  -8.099 -11.699
  382    HA   GLN  56           HA       GLN  56  -4.955  -8.054 -12.937
  383   1HB   GLN  56          1HB       GLN  56  -3.578  -9.713 -11.071
  384   2HB   GLN  56          2HB       GLN  56  -5.033  -9.111 -10.274
  385   1HG   GLN  56          1HG       GLN  56  -5.339 -10.020 -13.088
  386   2HG   GLN  56          2HG       GLN  56  -5.055 -11.273 -11.881
  387   1HE2  GLN  56          2HE2      GLN  56  -8.304 -11.049 -10.533
  388   2HE2  GLN  56          1HE2      GLN  56  -6.811 -11.856 -10.542
  389    H    VAL  57           H        VAL  57  -3.494  -6.779  -9.948
  390    HA   VAL  57           HA       VAL  57  -5.955  -5.499  -9.093
  391    HB   VAL  57           HB       VAL  57  -4.538  -4.389  -7.418
  392   1HG1  VAL  57          1HG1      VAL  57  -4.634  -7.266  -7.922
  393   2HG1  VAL  57          3HG1      VAL  57  -3.263  -6.804  -6.913
  394   3HG1  VAL  57          2HG1      VAL  57  -4.902  -6.380  -6.420
  395   1HG2  VAL  57          2HG2      VAL  57  -2.400  -5.328  -9.287
  396   2HG2  VAL  57          1HG2      VAL  57  -2.508  -3.823  -8.377
  397   3HG2  VAL  57          3HG2      VAL  57  -2.035  -5.314  -7.564
  398    H    ILE  58           H        ILE  58  -3.895  -4.803 -11.635
  399    HA   ILE  58           HA       ILE  58  -3.782  -1.940 -11.368
  400    HB   ILE  58           HB       ILE  58  -3.006  -3.955 -13.359
  401   1HG1  ILE  58          1HG1      ILE  58  -1.999  -1.157 -12.800
  402   2HG1  ILE  58          2HG1      ILE  58  -1.551  -2.572 -11.847
  403   1HG2  ILE  58          2HG2      ILE  58  -4.654  -2.693 -14.756
  404   2HG2  ILE  58          1HG2      ILE  58  -3.799  -1.199 -14.371
  405   3HG2  ILE  58          3HG2      ILE  58  -2.994  -2.462 -15.305
  406   1HD1  ILE  58          1HD1      ILE  58  -1.233  -3.108 -14.680
  407   2HD1  ILE  58          3HD1      ILE  58  -0.314  -1.678 -14.211
  408   3HD1  ILE  58          2HD1      ILE  58  -0.036  -3.213 -13.389
  409    H    GLY  59           H        GLY  59  -5.409  -0.561 -11.585
  410   1HA   GLY  59          1HA       GLY  59  -7.345   0.383 -12.662
  411   2HA   GLY  59          2HA       GLY  59  -7.649  -1.179 -13.425
  412    H    LYS  60           H        LYS  60  -7.093  -2.390 -10.619
  413    HA   LYS  60           HA       LYS  60  -9.893  -2.416  -9.793
  414   1HB   LYS  60          1HB       LYS  60  -7.545  -3.621  -8.306
  415   2HB   LYS  60          2HB       LYS  60  -9.235  -4.122  -8.244
  416   1HG   LYS  60          1HG       LYS  60  -7.381  -4.341 -10.637
  417   2HG   LYS  60          2HG       LYS  60  -7.984  -5.676  -9.655
  418   1HD   LYS  60          1HD       LYS  60 -10.344  -4.672 -10.297
  419   2HD   LYS  60          2HD       LYS  60  -9.448  -3.980 -11.649
  420   1HE   LYS  60          1HE       LYS  60  -8.650  -6.212 -12.289
  421   2HE   LYS  60          2HE       LYS  60  -9.494  -6.922 -10.912
  422   1HZ   LYS  60          1HZ       LYS  60 -10.897  -5.324 -12.969
  423   2HZ   LYS  60          3HZ       LYS  60 -10.675  -6.999 -13.127
  424   3HZ   LYS  60          2HZ       LYS  60 -11.567  -6.380 -11.820
  425    H    ASN  61           H        ASN  61 -10.767  -1.075  -8.287
  426    HA   ASN  61           HA       ASN  61  -9.191   0.989  -7.043
  427   1HB   ASN  61          1HB       ASN  61 -12.019   0.181  -7.108
  428   2HB   ASN  61          2HB       ASN  61 -11.518   0.872  -5.564
  429   1HD2  ASN  61          2HD2      ASN  61 -10.601   3.354  -8.680
  430   2HD2  ASN  61          1HD2      ASN  61 -10.023   1.759  -8.663
  431    H    PHE  62           H        PHE  62  -7.652   0.334  -5.617
  432    HA   PHE  62           HA       PHE  62  -7.664  -1.966  -3.986
  433   1HB   PHE  62          1HB       PHE  62  -5.645  -0.684  -4.355
  434   2HB   PHE  62          2HB       PHE  62  -6.342   0.728  -3.569
  435    HD1  PHE  62           HD1      PHE  62  -5.312  -2.802  -2.988
  436    HD2  PHE  62           HD2      PHE  62  -6.232   1.005  -1.222
  437    HE1  PHE  62           HE1      PHE  62  -4.485  -3.623  -0.795
  438    HE2  PHE  62           HE2      PHE  62  -5.391   0.189   0.964
  439    HZ   PHE  62           HZ       PHE  62  -4.527  -2.127   1.181
  440    H    PHE  63           H        PHE  63  -9.488   0.936  -3.600
  441    HA   PHE  63           HA       PHE  63  -9.858   0.474  -0.705
  442   1HB   PHE  63          1HB       PHE  63 -10.609   2.668  -2.614
  443   2HB   PHE  63          2HB       PHE  63 -11.404   2.548  -1.042
  444    HD1  PHE  63           HD2      PHE  63  -9.706   2.040   0.977
  445    HD2  PHE  63           HD1      PHE  63  -8.655   3.942  -2.723
  446    HE1  PHE  63           HE2      PHE  63  -7.741   3.077   2.067
  447    HE2  PHE  63           HE1      PHE  63  -6.683   4.974  -1.631
  448    HZ   PHE  63           HZ       PHE  63  -6.226   4.541   0.767
  449    H    LYS  64           H        LYS  64 -11.759   0.334  -3.714
  450    HA   LYS  64           HA       LYS  64 -13.789  -1.227  -2.186
  451   1HB   LYS  64          1HB       LYS  64 -15.585  -0.121  -3.518
  452   2HB   LYS  64          2HB       LYS  64 -14.731   1.011  -2.470
  453   1HG   LYS  64          1HG       LYS  64 -13.362   0.842  -4.993
  454   2HG   LYS  64          2HG       LYS  64 -15.068   1.182  -5.279
  455   1HD   LYS  64          1HD       LYS  64 -13.405   2.700  -3.255
  456   2HD   LYS  64          2HD       LYS  64 -13.610   3.234  -4.925
  457   1HE   LYS  64          1HE       LYS  64 -15.974   3.486  -4.654
  458   2HE   LYS  64          2HE       LYS  64 -15.956   2.630  -3.112
  459   1HZ   LYS  64          2HZ       LYS  64 -14.278   5.009  -3.356
  460   2HZ   LYS  64          1HZ       LYS  64 -15.957   5.250  -3.251
  461   3HZ   LYS  64          3HZ       LYS  64 -15.140   4.421  -2.016
  462    H    ASP  65           H        ASP  65 -11.712  -2.300  -3.705
  463    HA   ASP  65           HA       ASP  65 -13.245  -3.827  -5.674
  464   1HB   ASP  65          1HB       ASP  65 -11.582  -1.607  -6.511
  465   2HB   ASP  65          2HB       ASP  65 -10.984  -3.125  -7.182
  466    H    VAL  66           H        VAL  66 -10.141  -3.194  -4.049
  467    HA   VAL  66           HA       VAL  66  -9.341  -6.011  -4.618
  468    HB   VAL  66           HB       VAL  66  -7.641  -3.822  -3.413
  469   1HG1  VAL  66          1HG1      VAL  66  -7.232  -6.511  -3.684
  470   2HG1  VAL  66          3HG1      VAL  66  -6.466  -5.881  -5.138
  471   3HG1  VAL  66          2HG1      VAL  66  -5.953  -5.304  -3.557
  472   1HG2  VAL  66          3HG2      VAL  66  -8.566  -3.188  -5.679
  473   2HG2  VAL  66          2HG2      VAL  66  -6.806  -3.257  -5.562
  474   3HG2  VAL  66          1HG2      VAL  66  -7.692  -4.576  -6.327
  475    H    ALA  67           H        ALA  67  -9.318  -3.513  -2.140
  476    HA   ALA  67           HA       ALA  67  -9.482  -5.618  -0.042
  477   1HB   ALA  67          1HB       ALA  67  -7.725  -3.432  -0.483
  478   2HB   ALA  67          3HB       ALA  67  -8.660  -3.088   0.971
  479   3HB   ALA  67          2HB       ALA  67  -7.724  -4.572   0.855
  480    HA   PRO  68           HA       PRO  68 -13.477  -3.453   0.305
  481   1HB   PRO  68          1HB       PRO  68 -14.790  -5.608   1.403
  482   2HB   PRO  68          2HB       PRO  68 -14.603  -5.351  -0.339
  483   1HG   PRO  68          1HG       PRO  68 -13.163  -7.265   1.447
  484   2HG   PRO  68          2HG       PRO  68 -13.536  -7.405  -0.279
  485   1HD   PRO  68          1HD       PRO  68 -11.027  -6.705   0.783
  486   2HD   PRO  68          2HD       PRO  68 -11.547  -6.434  -0.895
  487    H    CYS  69           H        CYS  69 -11.201  -4.511   2.537
  488    HA   CYS  69           HA       CYS  69 -12.887  -3.916   4.899
  489   1HB   CYS  69          1HB       CYS  69 -11.103  -4.816   6.219
  490   2HB   CYS  69          2HB       CYS  69 -11.243  -5.880   4.820
  491    H    THR  70           H        THR  70 -10.364  -2.515   2.921
  492    HA   THR  70           HA       THR  70  -9.442  -0.549   4.794
  493    HB   THR  70           HB       THR  70  -8.500   0.564   2.809
  494    HG1  THR  70           HG1      THR  70  -9.265  -1.147   0.923
  495   1HG2  THR  70          2HG2      THR  70  -8.331  -2.415   3.122
  496   2HG2  THR  70          1HG2      THR  70  -7.465  -1.642   1.794
  497   3HG2  THR  70          3HG2      THR  70  -7.112  -1.187   3.462
  498    H    ASP  71           H        ASP  71 -12.099  -0.584   2.455
  499    HA   ASP  71           HA       ASP  71 -12.772   2.176   2.565
  500   1HB   ASP  71          1HB       ASP  71 -14.074  -0.314   1.740
  501   2HB   ASP  71          2HB       ASP  71 -15.215   0.861   2.396
  502    H    SER  72           H        SER  72 -12.547   2.934   4.725
  503    HA   SER  72           HA       SER  72 -14.855   2.881   6.373
  504   1HB   SER  72          1HB       SER  72 -13.009   0.641   6.753
  505   2HB   SER  72          2HB       SER  72 -13.254   1.569   8.229
  506    HG   SER  72           HG       SER  72 -15.134   0.656   8.352
  507    HA   PRO  73           HA       PRO  73 -12.593   6.090   8.362
  508   1HB   PRO  73          1HB       PRO  73 -13.475   5.953  10.962
  509   2HB   PRO  73          2HB       PRO  73 -14.456   6.573   9.624
  510   1HG   PRO  73          1HG       PRO  73 -14.657   3.957  11.043
  511   2HG   PRO  73          2HG       PRO  73 -15.919   4.884  10.213
  512   1HD   PRO  73          1HD       PRO  73 -14.593   2.619   9.175
  513   2HD   PRO  73          2HD       PRO  73 -15.570   3.769   8.240
  514    H    GLU  74           H        GLU  74 -10.523   4.881   8.100
  515    HA   GLU  74           HA       GLU  74  -8.848   4.903  10.331
  516   1HB   GLU  74          1HB       GLU  74 -10.516   2.513  10.217
  517   2HB   GLU  74          2HB       GLU  74  -8.797   2.121  10.175
  518   1HG   GLU  74          1HG       GLU  74  -8.408   2.957  12.285
  519   2HG   GLU  74          2HG       GLU  74  -9.676   4.176  12.149
  520    H    PHE  75           H        PHE  75  -9.736   3.201   7.400
  521    HA   PHE  75           HA       PHE  75  -6.864   3.156   6.582
  522   1HB   PHE  75          1HB       PHE  75  -8.580   1.042   6.603
  523   2HB   PHE  75          2HB       PHE  75  -8.893   1.675   4.987
  524    HD1  PHE  75           HD1      PHE  75  -6.980   2.018   3.408
  525    HD2  PHE  75           HD2      PHE  75  -6.536  -0.102   7.106
  526    HE1  PHE  75           HE1      PHE  75  -4.863   1.039   2.583
  527    HE2  PHE  75           HE2      PHE  75  -4.413  -1.093   6.283
  528    HZ   PHE  75           HZ       PHE  75  -3.575  -0.515   4.017
  529    H    TYR  76           H        TYR  76 -10.068   3.332   4.973
  530    HA   TYR  76           HA       TYR  76  -8.996   5.185   2.986
  531   1HB   TYR  76          1HB       TYR  76 -10.920   3.531   2.581
  532   2HB   TYR  76          2HB       TYR  76 -11.928   4.642   3.509
  533    HD1  TYR  76           HD2      TYR  76  -9.151   5.336   1.079
  534    HD2  TYR  76           HD1      TYR  76 -13.337   5.716   1.965
  535    HE1  TYR  76           HE2      TYR  76  -9.439   6.758  -0.932
  536    HE2  TYR  76           HE1      TYR  76 -13.627   7.143  -0.042
  537    HH   TYR  76           HH       TYR  76 -10.853   8.049  -2.087
  538    H    GLY  77           H        GLY  77 -10.307   5.389   6.153
  539   1HA   GLY  77          1HA       GLY  77 -11.465   8.003   6.073
  540   2HA   GLY  77          2HA       GLY  77 -10.825   7.218   7.509
  541    H    LYS  78           H        LYS  78  -8.263   6.943   7.220
  542    HA   LYS  78           HA       LYS  78  -7.199   9.585   7.437
  543   1HB   LYS  78          1HB       LYS  78  -5.497   7.184   6.802
  544   2HB   LYS  78          2HB       LYS  78  -5.105   8.573   7.813
  545   1HG   LYS  78          1HG       LYS  78  -6.836   6.201   8.442
  546   2HG   LYS  78          2HG       LYS  78  -5.573   6.939   9.421
  547   1HD   LYS  78          1HD       LYS  78  -7.336   9.010   9.263
  548   2HD   LYS  78          2HD       LYS  78  -8.451   7.647   9.182
  549   1HE   LYS  78          1HE       LYS  78  -8.259   7.403  11.415
  550   2HE   LYS  78          2HE       LYS  78  -6.550   7.025  11.199
  551   1HZ   LYS  78          2HZ       LYS  78  -7.281   9.836  11.057
  552   2HZ   LYS  78          1HZ       LYS  78  -7.404   9.110  12.588
  553   3HZ   LYS  78          3HZ       LYS  78  -5.923   9.099  11.763
  554    H    PHE  79           H        PHE  79  -7.809   7.622   4.708
  555    HA   PHE  79           HA       PHE  79  -5.915   8.932   2.952
  556   1HB   PHE  79          1HB       PHE  79  -6.635   6.642   2.554
  557   2HB   PHE  79          2HB       PHE  79  -8.307   7.173   2.459
  558    HD1  PHE  79           HD2      PHE  79  -8.877   8.942   0.617
  559    HD2  PHE  79           HD1      PHE  79  -5.325   6.507   0.574
  560    HE1  PHE  79           HE2      PHE  79  -8.653   9.289  -1.836
  561    HE2  PHE  79           HE1      PHE  79  -5.152   6.827  -1.856
  562    HZ   PHE  79           HZ       PHE  79  -6.787   8.219  -3.058
  563    H    LYS  80           H        LYS  80  -9.372   9.204   3.663
  564    HA   LYS  80           HA       LYS  80  -9.837  11.130   1.598
  565   1HB   LYS  80          1HB       LYS  80 -11.398   9.807   3.701
  566   2HB   LYS  80          2HB       LYS  80 -11.889  11.474   3.401
  567   1HG   LYS  80          1HG       LYS  80 -11.575  10.557   0.846
  568   2HG   LYS  80          2HG       LYS  80 -12.134   9.097   1.663
  569   1HD   LYS  80          1HD       LYS  80 -14.228   9.912   1.528
  570   2HD   LYS  80          2HD       LYS  80 -13.749  11.175   2.661
  571   1HE   LYS  80          1HE       LYS  80 -14.717  12.063   0.519
  572   2HE   LYS  80          2HE       LYS  80 -13.079  12.633   0.842
  573   1HZ   LYS  80          1HZ       LYS  80 -13.347  10.160  -0.677
  574   2HZ   LYS  80          3HZ       LYS  80 -13.787  11.591  -1.472
  575   3HZ   LYS  80          2HZ       LYS  80 -12.220  11.420  -0.841
  576    H    GLU  81           H        GLU  81  -8.365  11.260   4.645
  577    HA   GLU  81           HA       GLU  81  -9.019  14.163   4.952
  578   1HB   GLU  81          1HB       GLU  81  -7.917  14.024   7.139
  579   2HB   GLU  81          2HB       GLU  81  -9.123  12.746   7.004
  580   1HG   GLU  81          1HG       GLU  81  -7.366  11.149   6.379
  581   2HG   GLU  81          2HG       GLU  81  -6.152  12.416   6.515
  582    H    GLY  82           H        GLY  82  -6.343  11.923   4.480
  583   1HA   GLY  82          1HA       GLY  82  -4.246  13.877   4.345
  584   2HA   GLY  82          2HA       GLY  82  -4.194  12.280   3.586
  585    H    VAL  83           H        VAL  83  -6.498  12.544   1.979
  586    HA   VAL  83           HA       VAL  83  -5.445  13.782  -0.369
  587    HB   VAL  83           HB       VAL  83  -8.314  13.075   0.336
  588   1HG1  VAL  83          3HG1      VAL  83  -7.300  14.532  -1.867
  589   2HG1  VAL  83          2HG1      VAL  83  -7.663  12.914  -2.467
  590   3HG1  VAL  83          1HG1      VAL  83  -8.920  13.863  -1.676
  591   1HG2  VAL  83          1HG2      VAL  83  -6.152  11.388   0.060
  592   2HG2  VAL  83          3HG2      VAL  83  -7.834  10.930  -0.211
  593   3HG2  VAL  83          2HG2      VAL  83  -6.826  11.408  -1.569
  594    H    ALA  84           H        ALA  84  -7.782  14.943   2.053
  595    HA   ALA  84           HA       ALA  84  -8.043  17.509   0.600
  596   1HB   ALA  84          3HB       ALA  84 -10.012  16.273   1.618
  597   2HB   ALA  84          2HB       ALA  84  -9.360  16.707   3.197
  598   3HB   ALA  84          1HB       ALA  84  -9.866  17.970   2.075
  599    H    SER  85           H        SER  85  -5.879  16.311   2.820
  600    HA   SER  85           HA       SER  85  -5.673  18.912   4.265
  601   1HB   SER  85          1HB       SER  85  -5.715  16.564   5.437
  602   2HB   SER  85          2HB       SER  85  -4.025  16.493   4.945
  603    HG   SER  85           HG       SER  85  -4.156  17.452   6.964
  604    H    GLY  86           H        GLY  86  -4.048  16.885   1.944
  605   1HA   GLY  86          1HA       GLY  86  -2.259  17.501   0.520
  606   2HA   GLY  86          2HA       GLY  86  -2.138  19.031   1.396
  607    H    ASN  87           H        ASN  87  -2.196  16.239   3.397
  608    HA   ASN  87           HA       ASN  87   0.747  15.979   3.436
  609   1HB   ASN  87          1HB       ASN  87  -0.846  16.775   5.896
  610   2HB   ASN  87          2HB       ASN  87   0.884  16.429   5.849
  611   1HD2  ASN  87          2HD2      ASN  87   1.697  19.517   4.179
  612   2HD2  ASN  87          1HD2      ASN  87   2.204  17.906   4.347
  613    H    LEU  88           H        LEU  88  -0.671  13.989   2.523
  614    HA   LEU  88           HA       LEU  88  -1.873  12.248   4.478
  615   1HB   LEU  88          1HB       LEU  88  -1.979  12.286   1.819
  616   2HB   LEU  88          2HB       LEU  88  -0.646  11.151   1.988
  617    HG   LEU  88           HG       LEU  88  -2.842  10.572   3.821
  618   1HD1  LEU  88          2HD1      LEU  88  -3.502  11.282   1.104
  619   2HD1  LEU  88          1HD1      LEU  88  -3.810   9.565   1.364
  620   3HD1  LEU  88          3HD1      LEU  88  -4.579  10.766   2.403
  621   1HD2  LEU  88          2HD2      LEU  88  -0.738   9.219   2.824
  622   2HD2  LEU  88          1HD2      LEU  88  -2.198   8.406   3.386
  623   3HD2  LEU  88          3HD2      LEU  88  -1.966   8.713   1.664
  624    H    ASN  89           H        ASN  89  -0.714  11.405   6.119
  625    HA   ASN  89           HA       ASN  89   1.655   9.790   5.555
  626   1HB   ASN  89          1HB       ASN  89   3.088  11.031   7.201
  627   2HB   ASN  89          2HB       ASN  89   2.739  11.968   5.747
  628   1HD2  ASN  89          2HD2      ASN  89   2.048  14.289   8.517
  629   2HD2  ASN  89          1HD2      ASN  89   3.401  13.585   7.774
  630    H    THR  90           H        THR  90   0.090   8.245   6.422
  631    HA   THR  90           HA       THR  90  -0.057   8.425   9.409
  632    HB   THR  90           HB       THR  90  -2.253   8.977   8.423
  633    HG1  THR  90           HG1      THR  90  -3.395   7.445   9.602
  634   1HG2  THR  90          1HG2      THR  90  -1.738   7.476   6.366
  635   2HG2  THR  90          3HG2      THR  90  -2.374   6.165   7.357
  636   3HG2  THR  90          2HG2      THR  90  -3.398   7.544   6.956
  637    H    MET  91           H        MET  91  -0.706   6.209  10.334
  638    HA   MET  91           HA       MET  91   0.089   3.851   8.793
  639   1HB   MET  91          1HB       MET  91   1.917   3.285  10.479
  640   2HB   MET  91          2HB       MET  91   2.312   4.577   9.345
  641   1HG   MET  91          2HG       MET  91   2.671   5.974  11.071
  642   2HG   MET  91          1HG       MET  91   0.991   5.775  11.567
  643   1HE   MET  91          3HE       MET  91   4.141   3.721  11.211
  644   2HE   MET  91          2HE       MET  91   4.736   4.905  12.372
  645   3HE   MET  91          1HE       MET  91   4.574   3.218  12.851
  646    H    PHE  92           H        PHE  92   0.030   1.884  10.398
  647    HA   PHE  92           HA       PHE  92  -1.019   2.008  12.987
  648   1HB   PHE  92          1HB       PHE  92  -3.471   1.479  12.539
  649   2HB   PHE  92          2HB       PHE  92  -2.989   3.154  12.304
  650    HD1  PHE  92           HD1      PHE  92  -3.724  -0.040  10.537
  651    HD2  PHE  92           HD2      PHE  92  -3.120   4.191  10.167
  652    HE1  PHE  92           HE1      PHE  92  -4.536  -0.132   8.195
  653    HE2  PHE  92           HE2      PHE  92  -3.939   4.102   7.829
  654    HZ   PHE  92           HZ       PHE  92  -4.625   1.930   6.834
  655    H    GLU  93           H        GLU  93  -2.567  -0.080  13.359
  656    HA   GLU  93           HA       GLU  93  -1.156  -2.291  11.925
  657   1HB   GLU  93          1HB       GLU  93  -1.360  -1.804  14.654
  658   2HB   GLU  93          2HB       GLU  93  -2.620  -3.006  14.370
  659   1HG   GLU  93          1HG       GLU  93   0.280  -3.259  13.519
  660   2HG   GLU  93          2HG       GLU  93  -0.468  -4.098  14.878
  661    H    TYR  94           H        TYR  94  -2.525  -2.891  10.277
  662    HA   TYR  94           HA       TYR  94  -5.439  -3.042  10.876
  663   1HB   TYR  94          1HB       TYR  94  -4.145  -1.930   8.737
  664   2HB   TYR  94          2HB       TYR  94  -4.543  -3.528   8.110
  665    HD1  TYR  94           HD1      TYR  94  -6.085  -0.698  10.028
  666    HD2  TYR  94           HD2      TYR  94  -6.681  -3.917   7.245
  667    HE1  TYR  94           HE1      TYR  94  -8.442   0.008   9.716
  668    HE2  TYR  94           HE2      TYR  94  -9.039  -3.211   6.934
  669    HH   TYR  94           HH       TYR  94 -10.704  -1.920   7.823
  670    H    THR  95           H        THR  95  -6.458  -4.867   9.376
  671    HA   THR  95           HA       THR  95  -4.833  -7.343   9.469
  672    HB   THR  95           HB       THR  95  -7.492  -6.949  10.880
  673    HG1  THR  95           HG1      THR  95  -6.142  -6.676  12.450
  674   1HG2  THR  95          1HG2      THR  95  -6.121  -9.404   9.864
  675   2HG2  THR  95          3HG2      THR  95  -6.909  -9.492  11.441
  676   3HG2  THR  95          2HG2      THR  95  -7.845  -9.061  10.010
  677    H    PHE  96           H        PHE  96  -4.982  -7.983   7.372
  678    HA   PHE  96           HA       PHE  96  -7.430  -7.384   5.834
  679   1HB   PHE  96          1HB       PHE  96  -4.946  -8.887   4.953
  680   2HB   PHE  96          2HB       PHE  96  -6.206  -8.235   3.909
  681    HD1  PHE  96           HD1      PHE  96  -6.512  -5.636   5.737
  682    HD2  PHE  96           HD2      PHE  96  -3.198  -7.585   3.813
  683    HE1  PHE  96           HE1      PHE  96  -5.299  -3.476   5.635
  684    HE2  PHE  96           HE2      PHE  96  -1.993  -5.422   3.712
  685    HZ   PHE  96           HZ       PHE  96  -3.039  -3.370   4.624
  686    H    ASP  97           H        ASP  97  -9.025  -8.848   5.480
  687    HA   ASP  97           HA       ASP  97  -8.551 -11.719   5.593
  688   1HB   ASP  97          1HB       ASP  97 -10.207 -12.073   7.450
  689   2HB   ASP  97          2HB       ASP  97  -8.723 -11.282   7.986
  690    H    TYR  98           H        TYR  98  -9.372 -10.692   3.413
  691    HA   TYR  98           HA       TYR  98 -12.252 -10.185   3.346
  692   1HB   TYR  98          1HB       TYR  98 -11.833 -10.088   0.825
  693   2HB   TYR  98          2HB       TYR  98 -10.995  -8.891   1.804
  694    HD1  TYR  98           HD2      TYR  98 -10.298 -12.507   0.881
  695    HD2  TYR  98           HD1      TYR  98  -8.865  -8.459   1.034
  696    HE1  TYR  98           HE2      TYR  98  -8.139 -13.240  -0.052
  697    HE2  TYR  98           HE1      TYR  98  -6.696  -9.212   0.087
  698    HH   TYR  98           HH       TYR  98  -6.260 -12.346  -1.241
  699    H    GLN  99           H        GLN  99 -11.721 -12.748   4.315
  700    HA   GLN  99           HA       GLN  99 -12.871 -14.787   4.143
  701   1HB   GLN  99          1HB       GLN  99 -14.358 -15.216   2.452
  702   2HB   GLN  99          2HB       GLN  99 -14.158 -13.495   2.167
  703   1HG   GLN  99          1HG       GLN  99 -12.121 -14.459   0.647
  704   2HG   GLN  99          2HG       GLN  99 -13.255 -15.805   0.533
  705   1HE2  GLN  99          2HE2      GLN  99 -14.755 -13.972  -2.107
  706   2HE2  GLN  99          1HE2      GLN  99 -13.856 -15.347  -1.686
  707    H    MET 100           H        MET 100 -10.031 -14.201   3.823
  708    HA   MET 100           HA       MET 100  -9.250 -16.700   2.377
  709   1HB   MET 100          1HB       MET 100  -8.569 -14.115   1.615
  710   2HB   MET 100          2HB       MET 100  -7.152 -14.668   2.504
  711   1HG   MET 100          2HG       MET 100  -8.080 -16.803   0.820
  712   2HG   MET 100          1HG       MET 100  -7.918 -15.343  -0.154
  713   1HE   MET 100          1HE       MET 100  -6.194 -13.680   1.004
  714   2HE   MET 100          3HE       MET 100  -4.481 -14.085   1.191
  715   3HE   MET 100          2HE       MET 100  -5.207 -14.027  -0.414
  716    H    THR 101           H        THR 101  -7.523 -14.301   4.389
  717    HA   THR 101           HA       THR 101  -7.281 -16.200   6.606
  718    HB   THR 101           HB       THR 101  -5.531 -17.120   5.250
  719    HG1  THR 101           HG1      THR 101  -4.463 -17.037   7.048
  720   1HG2  THR 101          3HG2      THR 101  -4.803 -14.232   4.746
  721   2HG2  THR 101          2HG2      THR 101  -3.706 -15.563   4.380
  722   3HG2  THR 101          1HG2      THR 101  -5.265 -15.456   3.563
  723    HA   PRO 102           HA       PRO 102  -6.857 -12.324   8.677
  724   1HB   PRO 102          1HB       PRO 102  -5.852 -13.216  11.078
  725   2HB   PRO 102          2HB       PRO 102  -7.550 -13.382  10.600
  726   1HG   PRO 102          1HG       PRO 102  -5.411 -15.461  10.691
  727   2HG   PRO 102          2HG       PRO 102  -7.163 -15.646  10.875
  728   1HD   PRO 102          1HD       PRO 102  -5.690 -16.245   8.549
  729   2HD   PRO 102          2HD       PRO 102  -7.453 -16.050   8.635
  730    H    THR 103           H        THR 103  -5.041 -11.717   7.159
  731    HA   THR 103           HA       THR 103  -2.300 -12.177   8.095
  732    HB   THR 103           HB       THR 103  -3.593 -10.933   5.702
  733    HG1  THR 103           HG1      THR 103  -2.182 -12.295   4.688
  734   1HG2  THR 103          3HG2      THR 103  -0.997  -9.997   6.874
  735   2HG2  THR 103          2HG2      THR 103  -1.075 -10.217   5.126
  736   3HG2  THR 103          1HG2      THR 103  -2.184  -9.103   5.924
  737    H    LYS 104           H        LYS 104  -1.785 -11.019   9.945
  738    HA   LYS 104           HA       LYS 104  -2.843  -8.330  10.394
  739   1HB   LYS 104          1HB       LYS 104  -1.790 -10.180  12.100
  740   2HB   LYS 104          2HB       LYS 104  -0.352  -9.204  11.796
  741   1HG   LYS 104          1HG       LYS 104  -1.120  -7.550  13.107
  742   2HG   LYS 104          2HG       LYS 104  -2.641  -7.490  12.217
  743   1HD   LYS 104          1HD       LYS 104  -3.634  -8.324  14.063
  744   2HD   LYS 104          2HD       LYS 104  -2.810  -9.845  13.718
  745   1HE   LYS 104          1HE       LYS 104  -0.904  -9.171  15.077
  746   2HE   LYS 104          2HE       LYS 104  -1.619  -7.581  15.343
  747   1HZ   LYS 104          3HZ       LYS 104  -3.604  -9.111  16.163
  748   2HZ   LYS 104          2HZ       LYS 104  -2.311 -10.153  16.520
  749   3HZ   LYS 104          1HZ       LYS 104  -2.364  -8.596  17.199
  750    H    VAL 105           H        VAL 105  -1.546  -6.368  10.119
  751    HA   VAL 105           HA       VAL 105   1.134  -6.687   8.934
  752    HB   VAL 105           HB       VAL 105   0.660  -5.621   6.842
  753   1HG1  VAL 105          2HG1      VAL 105   0.114  -8.037   6.944
  754   2HG1  VAL 105          1HG1      VAL 105  -1.553  -7.629   7.351
  755   3HG1  VAL 105          3HG1      VAL 105  -0.893  -7.183   5.778
  756   1HG2  VAL 105          2HG2      VAL 105  -2.124  -5.150   7.946
  757   2HG2  VAL 105          1HG2      VAL 105  -0.933  -3.935   7.478
  758   3HG2  VAL 105          3HG2      VAL 105  -1.707  -4.933   6.247
  759    H    LYS 106           H        LYS 106   2.359  -4.847   9.063
  760    HA   LYS 106           HA       LYS 106   1.334  -2.616  10.684
  761   1HB   LYS 106          1HB       LYS 106   3.970  -3.500   9.586
  762   2HB   LYS 106          2HB       LYS 106   3.725  -1.756   9.626
  763   1HG   LYS 106          1HG       LYS 106   4.583  -2.041  11.738
  764   2HG   LYS 106          2HG       LYS 106   2.880  -2.328  12.100
  765   1HD   LYS 106          1HD       LYS 106   3.220  -4.756  11.827
  766   2HD   LYS 106          2HD       LYS 106   4.920  -4.478  11.446
  767   1HE   LYS 106          1HE       LYS 106   3.934  -3.269  13.974
  768   2HE   LYS 106          2HE       LYS 106   4.051  -5.027  13.946
  769   1HZ   LYS 106          1HZ       LYS 106   6.322  -3.677  12.794
  770   2HZ   LYS 106          3HZ       LYS 106   6.101  -3.354  14.444
  771   3HZ   LYS 106          2HZ       LYS 106   6.268  -4.958  13.910
  772    H    VAL 107           H        VAL 107   1.003  -0.481   9.565
  773    HA   VAL 107           HA       VAL 107   0.959  -0.812   6.589
  774    HB   VAL 107           HB       VAL 107  -1.173   0.309   6.444
  775   1HG1  VAL 107          2HG1      VAL 107  -1.150  -1.654   8.722
  776   2HG1  VAL 107          1HG1      VAL 107  -2.614  -1.067   7.934
  777   3HG1  VAL 107          3HG1      VAL 107  -1.430  -1.991   7.013
  778   1HG2  VAL 107          1HG2      VAL 107  -0.419   1.781   8.599
  779   2HG2  VAL 107          3HG2      VAL 107  -2.059   1.674   8.035
  780   3HG2  VAL 107          2HG2      VAL 107  -1.525   0.667   9.363
  781    H    HIS 108           H        HIS 108   1.228   1.105   5.366
  782    HA   HIS 108           HA       HIS 108   1.912   3.590   6.811
  783   1HB   HIS 108          1HB       HIS 108   4.026   2.088   6.387
  784   2HB   HIS 108          2HB       HIS 108   3.853   2.629   4.722
  785    HD1  HIS 108           HD1      HIS 108   6.317   3.618   6.139
  786    HD2  HIS 108           HD2      HIS 108   2.688   5.665   6.333
  787    HE1  HIS 108           HE1      HIS 108   6.875   6.012   6.746
  788    H    MET 109           H        MET 109   0.933   5.194   5.667
  789    HA   MET 109           HA       MET 109   0.613   4.784   2.744
  790   1HB   MET 109          1HB       MET 109  -1.602   6.220   4.082
  791   2HB   MET 109          2HB       MET 109  -1.659   5.063   2.761
  792   1HG   MET 109          2HG       MET 109  -1.795   3.219   4.205
  793   2HG   MET 109          1HG       MET 109  -1.008   4.066   5.538
  794   1HE   MET 109          2HE       MET 109  -3.700   2.683   4.061
  795   2HE   MET 109          1HE       MET 109  -5.110   3.100   5.030
  796   3HE   MET 109          3HE       MET 109  -4.742   4.011   3.560
  797    H    LYS 110           H        LYS 110   1.355   6.591   1.583
  798    HA   LYS 110           HA       LYS 110   1.179   9.198   3.066
  799   1HB   LYS 110          1HB       LYS 110   3.525   7.964   3.102
  800   2HB   LYS 110          2HB       LYS 110   3.666   8.653   1.483
  801   1HG   LYS 110          1HG       LYS 110   3.119  10.895   2.434
  802   2HG   LYS 110          2HG       LYS 110   3.102  10.176   4.045
  803   1HD   LYS 110          1HD       LYS 110   5.455   9.458   3.736
  804   2HD   LYS 110          2HD       LYS 110   5.469  10.228   2.149
  805   1HE   LYS 110          1HE       LYS 110   4.568  11.929   4.412
  806   2HE   LYS 110          2HE       LYS 110   6.277  11.489   4.404
  807   1HZ   LYS 110          2HZ       LYS 110   6.157  12.172   1.943
  808   2HZ   LYS 110          1HZ       LYS 110   4.746  13.002   2.394
  809   3HZ   LYS 110          3HZ       LYS 110   6.227  13.391   3.125
  810    H    LYS 111           H        LYS 111   1.311  11.078   1.603
  811    HA   LYS 111           HA       LYS 111  -0.082  10.576  -0.891
  812   1HB   LYS 111          1HB       LYS 111   0.208  13.106  -1.167
  813   2HB   LYS 111          2HB       LYS 111  -0.706  12.575   0.242
  814   1HG   LYS 111          1HG       LYS 111   1.094  13.000   1.716
  815   2HG   LYS 111          2HG       LYS 111   2.267  13.070   0.404
  816   1HD   LYS 111          1HD       LYS 111   0.120  15.018   0.059
  817   2HD   LYS 111          2HD       LYS 111   0.994  15.253   1.573
  818   1HE   LYS 111          1HE       LYS 111   3.088  15.460   0.444
  819   2HE   LYS 111          2HE       LYS 111   2.409  14.868  -1.072
  820   1HZ   LYS 111          2HZ       LYS 111   1.116  17.203   0.068
  821   2HZ   LYS 111          1HZ       LYS 111   2.698  17.447  -0.501
  822   3HZ   LYS 111          3HZ       LYS 111   1.503  16.854  -1.549
  823    H    ALA 112           H        ALA 112   1.305   9.430  -2.250
  824    HA   ALA 112           HA       ALA 112   4.033   9.897  -2.711
  825   1HB   ALA 112          1HB       ALA 112   1.988   8.354  -3.873
  826   2HB   ALA 112          3HB       ALA 112   2.715   9.275  -5.189
  827   3HB   ALA 112          2HB       ALA 112   3.723   8.242  -4.177
  828    H    LEU 113           H        LEU 113   5.070  11.686  -3.512
  829    HA   LEU 113           HA       LEU 113   3.437  13.608  -5.112
  830   1HB   LEU 113          1HB       LEU 113   5.010  15.335  -4.395
  831   2HB   LEU 113          2HB       LEU 113   4.373  14.490  -2.985
  832    HG   LEU 113           HG       LEU 113   6.551  12.951  -3.557
  833   1HD1  LEU 113          3HD1      LEU 113   6.895  15.313  -5.085
  834   2HD1  LEU 113          2HD1      LEU 113   8.001  15.437  -3.718
  835   3HD1  LEU 113          1HD1      LEU 113   8.083  14.042  -4.794
  836   1HD2  LEU 113          1HD2      LEU 113   5.707  14.312  -1.436
  837   2HD2  LEU 113          3HD2      LEU 113   7.379  13.759  -1.541
  838   3HD2  LEU 113          2HD2      LEU 113   6.978  15.432  -1.928
  839    H    SER 114           H        SER 114   6.013  11.368  -5.343
  840    HA   SER 114           HA       SER 114   7.739  12.555  -7.228
  841   1HB   SER 114          1HB       SER 114   7.203   9.906  -6.267
  842   2HB   SER 114          2HB       SER 114   7.317   9.849  -8.024
  843    HG   SER 114           HG       SER 114   9.188  11.121  -6.304
  844    H    GLY 115           H        GLY 115   4.641  10.880  -7.753
  845   1HA   GLY 115          1HA       GLY 115   3.734  12.438  -9.867
  846   2HA   GLY 115          2HA       GLY 115   4.729  11.201 -10.633
  847    H    ASP 116           H        ASP 116   2.701  10.837  -7.746
  848    HA   ASP 116           HA       ASP 116   0.881   9.100  -9.338
  849   1HB   ASP 116          1HB       ASP 116   2.434   8.366  -6.867
  850   2HB   ASP 116          2HB       ASP 116   0.891   7.589  -7.208
  851    H    SER 117           H        SER 117   0.858   9.378  -5.817
  852    HA   SER 117           HA       SER 117  -0.708  11.606  -5.332
  853   1HB   SER 117          1HB       SER 117  -2.268   9.493  -6.700
  854   2HB   SER 117          2HB       SER 117  -3.023  10.176  -5.265
  855    HG   SER 117           HG       SER 117  -2.668  12.249  -6.185
  856    H    TYR 118           H        TYR 118  -1.954   8.351  -4.622
  857    HA   TYR 118           HA       TYR 118  -1.065   8.721  -1.777
  858   1HB   TYR 118          1HB       TYR 118  -3.556   7.223  -2.577
  859   2HB   TYR 118          2HB       TYR 118  -3.177   7.914  -0.998
  860    HD1  TYR 118           HD2      TYR 118  -3.104  10.453  -0.778
  861    HD2  TYR 118           HD1      TYR 118  -4.651   8.408  -4.219
  862    HE1  TYR 118           HE2      TYR 118  -4.280  12.514  -1.482
  863    HE2  TYR 118           HE1      TYR 118  -5.824  10.449  -4.920
  864    HH   TYR 118           HH       TYR 118  -6.406  12.548  -4.343
  865    H    TRP 119           H        TRP 119  -0.036   6.931  -0.885
  866    HA   TRP 119           HA       TRP 119  -0.275   4.372  -2.316
  867   1HB   TRP 119          1HB       TRP 119   2.126   3.982  -2.241
  868   2HB   TRP 119          2HB       TRP 119   1.748   5.417  -3.178
  869    HD1  TRP 119           HD1      TRP 119   3.055   7.449  -2.582
  870    HE1  TRP 119           HE1      TRP 119   4.562   8.205  -0.680
  871    HE3  TRP 119           HE3      TRP 119   2.279   3.620   0.518
  872    HZ2  TRP 119           HZ2      TRP 119   5.348   7.236   1.939
  873    HZ3  TRP 119           HZ3      TRP 119   3.385   3.501   2.749
  874    HH2  TRP 119           HH2      TRP 119   4.932   5.309   3.446
  875    H    VAL 120           H        VAL 120   0.081   2.501  -1.096
  876    HA   VAL 120           HA       VAL 120   0.345   2.938   1.835
  877    HB   VAL 120           HB       VAL 120  -1.826   1.264   0.517
  878   1HG1  VAL 120          1HG1      VAL 120  -0.708   1.416   3.264
  879   2HG1  VAL 120          3HG1      VAL 120  -2.467   1.396   3.145
  880   3HG1  VAL 120          2HG1      VAL 120  -1.520   0.080   2.450
  881   1HG2  VAL 120          2HG2      VAL 120  -1.792   4.002   1.012
  882   2HG2  VAL 120          1HG2      VAL 120  -3.237   3.008   0.831
  883   3HG2  VAL 120          3HG2      VAL 120  -2.592   3.341   2.436
  884    H    PHE 121           H        PHE 121   2.242   1.826   2.178
  885    HA   PHE 121           HA       PHE 121   2.734  -0.748   0.836
  886   1HB   PHE 121          1HB       PHE 121   4.453   0.430   3.017
  887   2HB   PHE 121          2HB       PHE 121   4.933  -0.630   1.696
  888    HD1  PHE 121           HD1      PHE 121   3.305   0.946  -0.454
  889    HD2  PHE 121           HD2      PHE 121   6.106   2.131   2.569
  890    HE1  PHE 121           HE1      PHE 121   3.960   2.888  -1.839
  891    HE2  PHE 121           HE2      PHE 121   6.728   4.110   1.200
  892    HZ   PHE 121           HZ       PHE 121   5.665   4.463  -1.009
  893    H    VAL 122           H        VAL 122   2.541  -2.729   1.909
  894    HA   VAL 122           HA       VAL 122   1.547  -2.535   4.699
  895    HB   VAL 122           HB       VAL 122   0.748  -4.158   2.357
  896   1HG1  VAL 122          3HG1      VAL 122   1.202  -5.410   5.052
  897   2HG1  VAL 122          2HG1      VAL 122  -0.185  -5.912   4.094
  898   3HG1  VAL 122          1HG1      VAL 122   1.444  -6.104   3.452
  899   1HG2  VAL 122          2HG2      VAL 122  -0.421  -2.373   4.035
  900   2HG2  VAL 122          1HG2      VAL 122  -1.320  -3.555   3.083
  901   3HG2  VAL 122          3HG2      VAL 122  -0.933  -3.892   4.769
  902    H    LYS 123           H        LYS 123   3.037  -3.048   6.133
  903    HA   LYS 123           HA       LYS 123   5.276  -4.854   5.475
  904   1HB   LYS 123          1HB       LYS 123   4.716  -2.871   7.509
  905   2HB   LYS 123          2HB       LYS 123   5.159  -4.394   8.276
  906   1HG   LYS 123          1HG       LYS 123   7.273  -3.520   7.967
  907   2HG   LYS 123          2HG       LYS 123   7.090  -4.322   6.409
  908   1HD   LYS 123          1HD       LYS 123   6.233  -2.213   5.436
  909   2HD   LYS 123          2HD       LYS 123   6.409  -1.430   6.991
  910   1HE   LYS 123          1HE       LYS 123   8.334  -1.531   4.954
  911   2HE   LYS 123          2HE       LYS 123   8.555  -0.957   6.575
  912   1HZ   LYS 123          2HZ       LYS 123   8.921  -3.767   5.685
  913   2HZ   LYS 123          1HZ       LYS 123  10.173  -2.665   6.009
  914   3HZ   LYS 123          3HZ       LYS 123   9.165  -3.196   7.265
  915    H    ARG 124           H        ARG 124   5.393  -7.034   6.247
  916    HA   ARG 124           HA       ARG 124   2.762  -8.026   7.241
  917   1HB   ARG 124          1HB       ARG 124   3.626  -9.156   5.249
  918   2HB   ARG 124          2HB       ARG 124   5.134  -9.534   6.084
  919   1HG   ARG 124          1HG       ARG 124   4.214 -11.296   7.173
  920   2HG   ARG 124          2HG       ARG 124   2.746 -10.397   7.558
  921   1HD   ARG 124          1HD       ARG 124   2.226 -10.676   5.003
  922   2HD   ARG 124          2HD       ARG 124   3.390 -11.997   5.097
  923    HE   ARG 124           HE       ARG 124   1.124 -11.955   7.025
  924   1HH1  ARG 124          1HH2      ARG 124   2.969 -14.305   6.743
  925   2HH1  ARG 124          2HH2      ARG 124   2.046 -15.369   5.733
  926   1HH2  ARG 124          2HH1      ARG 124  -0.144 -12.895   4.681
  927   2HH2  ARG 124          1HH1      ARG 124   0.285 -14.568   4.565
  928    H    VAL 125           H        VAL 125   2.519  -8.872   9.239
  929    HA   VAL 125           HA       VAL 125   4.911  -8.851  11.017
  930    HB   VAL 125           HB       VAL 125   2.604  -9.301  12.599
  931   1HG1  VAL 125          2HG1      VAL 125   4.644  -7.217  12.148
  932   2HG1  VAL 125          1HG1      VAL 125   3.149  -6.628  12.874
  933   3HG1  VAL 125          3HG1      VAL 125   4.061  -7.917  13.659
  934   1HG2  VAL 125          2HG2      VAL 125   2.139  -7.128  10.535
  935   2HG2  VAL 125          1HG2      VAL 125   1.172  -8.578  10.780
  936   3HG2  VAL 125          3HG2      VAL 125   1.205  -7.327  12.018
  937    H2   HC4  69           H2       HC4  69  -6.763  -4.609   3.229
  938    H3   HC4  69           H3       HC4  69  -7.310  -7.337   1.970
  939    H2'  HC4  69           H2'      HC4  69  -5.412  -8.102   0.573
  940    H3'  HC4  69           H3'      HC4  69  -3.175  -7.794  -0.434
  941    H5'  HC4  69           H5'      HC4  69  -2.861  -3.931   1.476
  942    H6'  HC4  69           H6'      HC4  69  -5.116  -4.256   2.455
   
  No H/Q in entry =         942
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1  18.291   4.988   9.924
    2   2H    MET   1           H3       MET   1  18.652   6.171  11.083
    3   3H    MET   1           H2       MET   1  19.895   5.207  10.441
    4    HA   MET   1           HA       MET   1  19.153   3.292  11.550
    5   1HB   MET   1          1HB       MET   1  19.152   4.017  13.906
    6   2HB   MET   1          2HB       MET   1  20.357   4.912  12.979
    7   1HG   MET   1          2HG       MET   1  18.991   6.856  12.881
    8   2HG   MET   1          1HG       MET   1  17.560   5.970  13.404
    9   1HE   MET   1          1HE       MET   1  17.558   4.547  15.272
   10   2HE   MET   1          3HE       MET   1  19.005   4.273  16.253
   11   3HE   MET   1          2HE       MET   1  17.697   5.282  16.867
   12    H    GLU   2           H        GLU   2  16.729   5.758  11.211
   13    HA   GLU   2           HA       GLU   2  14.581   3.866  11.325
   14   1HB   GLU   2          1HB       GLU   2  15.394   4.278  13.826
   15   2HB   GLU   2          2HB       GLU   2  14.400   5.728  13.661
   16   1HG   GLU   2          1HG       GLU   2  12.436   4.503  13.329
   17   2HG   GLU   2          2HG       GLU   2  13.306   3.061  12.806
   18    H    HIS   3           H        HIS   3  15.294   5.863   9.521
   19    HA   HIS   3           HA       HIS   3  13.282   8.016  10.005
   20   1HB   HIS   3          1HB       HIS   3  15.503   7.940   7.943
   21   2HB   HIS   3          2HB       HIS   3  14.482   9.321   8.342
   22    HD1  HIS   3           HD1      HIS   3  14.560   9.098  11.434
   23    HD2  HIS   3           HD2      HIS   3  17.932   8.822   8.999
   24    HE1  HIS   3           HE1      HIS   3  16.546   9.698  12.888
   25    H    VAL   4           H        VAL   4  12.837   5.174   8.958
   26    HA   VAL   4           HA       VAL   4  11.391   6.041   6.503
   27    HB   VAL   4           HB       VAL   4  13.622   4.572   6.266
   28   1HG1  VAL   4          2HG1      VAL   4  12.234   2.765   7.714
   29   2HG1  VAL   4          1HG1      VAL   4  11.688   2.317   6.098
   30   3HG1  VAL   4          3HG1      VAL   4  13.409   2.295   6.485
   31   1HG2  VAL   4          3HG2      VAL   4  11.122   4.809   4.735
   32   2HG2  VAL   4          2HG2      VAL   4  12.793   5.008   4.207
   33   3HG2  VAL   4          1HG2      VAL   4  12.088   3.394   4.315
   34    H    ALA   5           H        ALA   5   9.911   3.897   5.915
   35    HA   ALA   5           HA       ALA   5   7.848   3.843   7.865
   36   1HB   ALA   5          3HB       ALA   5   7.921   3.120   5.308
   37   2HB   ALA   5          2HB       ALA   5   8.249   1.529   5.994
   38   3HB   ALA   5          1HB       ALA   5   6.760   2.377   6.409
   39    H    PHE   6           H        PHE   6   7.221   1.136   8.114
   40    HA   PHE   6           HA       PHE   6   8.215   0.229  10.522
   41   1HB   PHE   6          1HB       PHE   6   8.175  -2.118   8.866
   42   2HB   PHE   6          2HB       PHE   6   6.972  -1.591  10.034
   43    HD1  PHE   6           HD2      PHE   6   7.982  -1.337   6.427
   44    HD2  PHE   6           HD1      PHE   6   4.923  -0.642   9.346
   45    HE1  PHE   6           HE2      PHE   6   6.366  -0.895   4.627
   46    HE2  PHE   6           HE1      PHE   6   3.310  -0.202   7.540
   47    HZ   PHE   6           HZ       PHE   6   4.035  -0.323   5.181
   48    H    GLY   7           H        GLY   7   9.657  -0.236   7.378
   49   1HA   GLY   7          1HA       GLY   7  12.364  -0.096   8.137
   50   2HA   GLY   7          2HA       GLY   7  11.919  -1.811   8.126
   51    H    SER   8           H        SER   8  10.588   0.745   6.090
   52    HA   SER   8           HA       SER   8  10.791  -0.846   3.742
   53   1HB   SER   8          1HB       SER   8  10.459   1.617   2.704
   54   2HB   SER   8          2HB       SER   8   9.136   0.673   3.381
   55    HG   SER   8           HG       SER   8  10.215   2.980   4.247
   56    H    GLU   9           H        GLU   9  11.847   0.177   1.707
   57    HA   GLU   9           HA       GLU   9  14.655   0.955   2.396
   58   1HB   GLU   9          1HB       GLU   9  13.539  -1.145   0.698
   59   2HB   GLU   9          2HB       GLU   9  14.647  -0.105  -0.192
   60   1HG   GLU   9          1HG       GLU   9  16.465  -0.834   0.968
   61   2HG   GLU   9          2HG       GLU   9  15.590  -0.865   2.500
   62    H    ASP  10           H        ASP  10  13.173   3.114   2.270
   63    HA   ASP  10           HA       ASP  10  12.698   5.083   1.064
   64   1HB   ASP  10          1HB       ASP  10  14.762   3.879  -0.817
   65   2HB   ASP  10          2HB       ASP  10  14.177   5.542  -0.887
   66    H    ILE  11           H        ILE  11  10.599   3.798   0.755
   67    HA   ILE  11           HA       ILE  11  10.107   2.425  -1.690
   68    HB   ILE  11           HB       ILE  11   7.885   3.755  -0.345
   69   1HG1  ILE  11          1HG1      ILE  11   7.852   1.661   1.229
   70   2HG1  ILE  11          2HG1      ILE  11   9.593   1.691   0.987
   71   1HG2  ILE  11          2HG2      ILE  11   8.034   2.034  -2.323
   72   2HG2  ILE  11          1HG2      ILE  11   8.082   0.872  -1.001
   73   3HG2  ILE  11          3HG2      ILE  11   6.710   1.956  -1.170
   74   1HD1  ILE  11          1HD1      ILE  11   8.609   4.337   1.578
   75   2HD1  ILE  11          3HD1      ILE  11   8.085   3.199   2.819
   76   3HD1  ILE  11          2HD1      ILE  11   9.800   3.383   2.452
   77    H    GLU  12           H        GLU  12   8.695   5.514  -0.623
   78    HA   GLU  12           HA       GLU  12   7.506   6.392  -2.880
   79   1HB   GLU  12          1HB       GLU  12   8.201   8.740  -2.275
   80   2HB   GLU  12          2HB       GLU  12   7.553   7.804  -0.929
   81   1HG   GLU  12          1HG       GLU  12   9.889   7.234  -0.250
   82   2HG   GLU  12          2HG       GLU  12  10.487   8.281  -1.539
   83    H    ASN  13           H        ASN  13  11.034   6.290  -2.517
   84    HA   ASN  13           HA       ASN  13  11.443   7.653  -5.094
   85   1HB   ASN  13          1HB       ASN  13  13.080   7.747  -3.136
   86   2HB   ASN  13          2HB       ASN  13  13.483   6.070  -3.508
   87   1HD2  ASN  13          2HD2      ASN  13  15.217   8.963  -5.651
   88   2HD2  ASN  13          1HD2      ASN  13  14.404   9.239  -4.185
   89    H    THR  14           H        THR  14  11.732   4.371  -3.783
   90    HA   THR  14           HA       THR  14  12.497   3.104  -6.250
   91    HB   THR  14           HB       THR  14  11.272   2.128  -3.657
   92    HG1  THR  14           HG1      THR  14  13.289   2.003  -3.170
   93   1HG2  THR  14          1HG2      THR  14  11.742   0.628  -6.212
   94   2HG2  THR  14          3HG2      THR  14  12.039  -0.187  -4.675
   95   3HG2  THR  14          2HG2      THR  14  10.437   0.457  -5.037
   96    H    LEU  15           H        LEU  15   9.544   4.486  -5.273
   97    HA   LEU  15           HA       LEU  15   7.943   2.659  -6.956
   98   1HB   LEU  15          1HB       LEU  15   7.077   4.967  -5.190
   99   2HB   LEU  15          2HB       LEU  15   6.011   3.805  -5.977
  100    HG   LEU  15           HG       LEU  15   8.179   2.990  -4.046
  101   1HD1  LEU  15          1HD1      LEU  15   5.543   4.172  -3.563
  102   2HD1  LEU  15          3HD1      LEU  15   5.770   2.618  -2.764
  103   3HD1  LEU  15          2HD1      LEU  15   6.892   3.938  -2.452
  104   1HD2  LEU  15          2HD2      LEU  15   6.938   1.441  -5.822
  105   2HD2  LEU  15          1HD2      LEU  15   7.288   0.862  -4.193
  106   3HD2  LEU  15          3HD2      LEU  15   5.675   1.455  -4.591
  107    H    ALA  16           H        ALA  16   9.432   5.777  -7.018
  108    HA   ALA  16           HA       ALA  16   7.752   6.662  -9.293
  109   1HB   ALA  16          3HB       ALA  16   8.794   8.081  -7.232
  110   2HB   ALA  16          2HB       ALA  16  10.074   8.294  -8.426
  111   3HB   ALA  16          1HB       ALA  16   8.426   8.793  -8.804
  112    H    LYS  17           H        LYS  17  10.692   4.991  -8.755
  113    HA   LYS  17           HA       LYS  17  11.570   5.667 -11.536
  114   1HB   LYS  17          1HB       LYS  17  13.021   6.114  -9.288
  115   2HB   LYS  17          2HB       LYS  17  13.539   4.472  -9.670
  116   1HG   LYS  17          1HG       LYS  17  13.407   6.224 -12.021
  117   2HG   LYS  17          2HG       LYS  17  14.570   6.765 -10.811
  118   1HD   LYS  17          1HD       LYS  17  15.438   4.370 -10.752
  119   2HD   LYS  17          2HD       LYS  17  14.457   4.074 -12.188
  120   1HE   LYS  17          1HE       LYS  17  15.951   6.510 -12.540
  121   2HE   LYS  17          2HE       LYS  17  17.049   5.209 -12.083
  122   1HZ   LYS  17          2HZ       LYS  17  16.109   3.844 -13.840
  123   2HZ   LYS  17          1HZ       LYS  17  15.056   5.102 -14.283
  124   3HZ   LYS  17          3HZ       LYS  17  16.731   5.292 -14.474
  125    H    MET  18           H        MET  18  10.747   3.128  -9.294
  126    HA   MET  18           HA       MET  18  11.972   0.915 -10.553
  127   1HB   MET  18          1HB       MET  18  10.938   0.592  -8.413
  128   2HB   MET  18          2HB       MET  18   9.381   1.165  -9.003
  129   1HG   MET  18          2HG       MET  18  10.475  -1.123 -10.510
  130   2HG   MET  18          1HG       MET  18  10.107  -1.480  -8.822
  131   1HE   MET  18          2HE       MET  18   8.341  -0.166  -7.774
  132   2HE   MET  18          1HE       MET  18   6.995   0.630  -8.588
  133   3HE   MET  18          3HE       MET  18   6.836  -1.044  -8.039
  134    H    ASP  19           H        ASP  19  11.277  -0.456 -12.179
  135    HA   ASP  19           HA       ASP  19   9.335   0.733 -14.088
  136   1HB   ASP  19          1HB       ASP  19  11.793  -0.719 -14.353
  137   2HB   ASP  19          2HB       ASP  19  10.507  -1.665 -15.104
  138    H    ASP  20           H        ASP  20   9.991  -2.254 -12.278
  139    HA   ASP  20           HA       ASP  20   7.292  -2.890 -11.789
  140   1HB   ASP  20          1HB       ASP  20   7.041  -4.818 -13.438
  141   2HB   ASP  20          2HB       ASP  20   6.913  -3.206 -14.139
  142    H    GLY  21           H        GLY  21  10.357  -4.451 -12.762
  143   1HA   GLY  21          1HA       GLY  21   9.965  -6.390 -10.529
  144   2HA   GLY  21          2HA       GLY  21  11.061  -6.627 -11.891
  145    H    GLN  22           H        GLN  22  10.589  -4.054  -9.431
  146    HA   GLN  22           HA       GLN  22  13.493  -4.325  -8.795
  147   1HB   GLN  22          1HB       GLN  22  12.989  -2.338 -10.297
  148   2HB   GLN  22          2HB       GLN  22  12.048  -1.674  -8.962
  149   1HG   GLN  22          1HG       GLN  22  14.446  -2.443  -7.774
  150   2HG   GLN  22          2HG       GLN  22  14.937  -1.747  -9.319
  151   1HE2  GLN  22          2HE2      GLN  22  13.674   1.532  -8.515
  152   2HE2  GLN  22          1HE2      GLN  22  13.942   0.479  -9.819
  153    H    LEU  23           H        LEU  23  10.305  -3.147  -7.735
  154    HA   LEU  23           HA       LEU  23  11.296  -3.022  -4.951
  155   1HB   LEU  23          1HB       LEU  23   9.413  -1.751  -4.445
  156   2HB   LEU  23          2HB       LEU  23   9.665  -1.329  -6.135
  157    HG   LEU  23           HG       LEU  23   7.727  -3.428  -5.109
  158   1HD1  LEU  23          1HD1      LEU  23   7.461  -0.561  -5.932
  159   2HD1  LEU  23          3HD1      LEU  23   6.141  -1.674  -6.292
  160   3HD1  LEU  23          2HD1      LEU  23   6.660  -1.431  -4.626
  161   1HD2  LEU  23          3HD2      LEU  23   8.486  -2.478  -7.875
  162   2HD2  LEU  23          2HD2      LEU  23   8.433  -4.132  -7.266
  163   3HD2  LEU  23          1HD2      LEU  23   6.933  -3.251  -7.557
  164    H    ASP  24           H        ASP  24  10.477  -5.535  -6.786
  165    HA   ASP  24           HA       ASP  24   8.426  -6.825  -5.208
  166   1HB   ASP  24          1HB       ASP  24   9.120  -8.876  -6.444
  167   2HB   ASP  24          2HB       ASP  24   8.826  -7.509  -7.519
  168    H    GLY  25           H        GLY  25  11.652  -6.125  -4.497
  169   1HA   GLY  25          1HA       GLY  25  11.981  -8.543  -2.801
  170   2HA   GLY  25          2HA       GLY  25  13.262  -7.397  -3.200
  171    H    LEU  26           H        LEU  26  10.046  -6.423  -2.167
  172    HA   LEU  26           HA       LEU  26  11.273  -5.214   0.243
  173   1HB   LEU  26          1HB       LEU  26   8.726  -4.575  -1.276
  174   2HB   LEU  26          2HB       LEU  26   9.179  -3.809   0.246
  175    HG   LEU  26           HG       LEU  26  10.970  -3.808  -2.193
  176   1HD1  LEU  26          1HD1      LEU  26   8.784  -2.650  -2.618
  177   2HD1  LEU  26          3HD1      LEU  26   9.118  -1.603  -1.239
  178   3HD1  LEU  26          2HD1      LEU  26  10.170  -1.561  -2.655
  179   1HD2  LEU  26          2HD2      LEU  26  10.941  -2.415   0.487
  180   2HD2  LEU  26          1HD2      LEU  26  12.245  -3.347  -0.250
  181   3HD2  LEU  26          3HD2      LEU  26  11.839  -1.749  -0.878
  182    H    ALA  27           H        ALA  27   9.994  -5.315   2.192
  183    HA   ALA  27           HA       ALA  27   8.623  -7.922   2.474
  184   1HB   ALA  27          3HB       ALA  27  10.476  -6.933   4.060
  185   2HB   ALA  27          2HB       ALA  27   9.123  -6.048   4.764
  186   3HB   ALA  27          1HB       ALA  27   9.111  -7.812   4.752
  187    H    PHE  28           H        PHE  28   7.531  -5.168   1.384
  188    HA   PHE  28           HA       PHE  28   4.899  -5.513   2.671
  189   1HB   PHE  28          1HB       PHE  28   4.677  -3.025   2.961
  190   2HB   PHE  28          2HB       PHE  28   5.833  -3.775   4.050
  191    HD1  PHE  28           HD2      PHE  28   8.295  -3.624   3.562
  192    HD2  PHE  28           HD1      PHE  28   5.365  -1.423   1.324
  193    HE1  PHE  28           HE2      PHE  28  10.071  -2.121   2.715
  194    HE2  PHE  28           HE1      PHE  28   7.138   0.087   0.487
  195    HZ   PHE  28           HZ       PHE  28   9.502  -0.236   1.194
  196    H    GLY  29           H        GLY  29   3.189  -4.616   1.394
  197   1HA   GLY  29          1HA       GLY  29   3.797  -4.598  -1.461
  198   2HA   GLY  29          2HA       GLY  29   2.201  -4.435  -0.734
  199    H    ALA  30           H        ALA  30   4.574  -2.740  -2.396
  200    HA   ALA  30           HA       ALA  30   3.836  -0.148  -1.167
  201   1HB   ALA  30          3HB       ALA  30   6.222  -0.877  -2.145
  202   2HB   ALA  30          2HB       ALA  30   5.508  -0.264  -3.637
  203   3HB   ALA  30          1HB       ALA  30   5.653   0.786  -2.235
  204    H    ILE  31           H        ILE  31   1.626  -0.145  -1.749
  205    HA   ILE  31           HA       ILE  31   1.018  -0.218  -4.650
  206    HB   ILE  31           HB       ILE  31  -1.245  -0.603  -4.046
  207   1HG1  ILE  31          1HG1      ILE  31  -1.751  -0.443  -1.428
  208   2HG1  ILE  31          2HG1      ILE  31  -0.452   0.752  -1.494
  209   1HG2  ILE  31          2HG2      ILE  31   0.247  -2.502  -3.520
  210   2HG2  ILE  31          1HG2      ILE  31   0.458  -1.880  -1.885
  211   3HG2  ILE  31          3HG2      ILE  31  -1.126  -2.444  -2.415
  212   1HD1  ILE  31          2HD1      ILE  31  -2.582   0.906  -3.580
  213   2HD1  ILE  31          1HD1      ILE  31  -2.996   1.435  -1.949
  214   3HD1  ILE  31          3HD1      ILE  31  -1.665   2.203  -2.815
  215    H    GLN  32           H        GLN  32  -0.041   1.537  -5.686
  216    HA   GLN  32           HA       GLN  32   0.101   4.112  -4.173
  217   1HB   GLN  32          1HB       GLN  32   1.032   3.343  -6.879
  218   2HB   GLN  32          2HB       GLN  32   0.189   4.883  -6.778
  219   1HG   GLN  32          1HG       GLN  32   1.703   5.610  -4.976
  220   2HG   GLN  32          2HG       GLN  32   2.555   4.069  -5.072
  221   1HE2  GLN  32          2HE2      GLN  32   3.957   6.907  -7.354
  222   2HE2  GLN  32          1HE2      GLN  32   3.231   7.072  -5.830
  223    H    LEU  33           H        LEU  33  -1.431   5.787  -5.360
  224    HA   LEU  33           HA       LEU  33  -3.826   4.524  -6.520
  225   1HB   LEU  33          1HB       LEU  33  -3.822   5.892  -3.813
  226   2HB   LEU  33          2HB       LEU  33  -5.286   5.667  -4.768
  227    HG   LEU  33           HG       LEU  33  -3.439   3.443  -3.850
  228   1HD1  LEU  33          2HD1      LEU  33  -5.200   4.818  -2.292
  229   2HD1  LEU  33          1HD1      LEU  33  -6.256   3.571  -2.954
  230   3HD1  LEU  33          3HD1      LEU  33  -4.807   3.116  -2.058
  231   1HD2  LEU  33          1HD2      LEU  33  -5.443   3.604  -5.915
  232   2HD2  LEU  33          3HD2      LEU  33  -4.462   2.217  -5.441
  233   3HD2  LEU  33          2HD2      LEU  33  -6.004   2.519  -4.642
  234    H    ASP  34           H        ASP  34  -5.156   6.120  -7.582
  235    HA   ASP  34           HA       ASP  34  -4.092   8.902  -7.457
  236   1HB   ASP  34          1HB       ASP  34  -4.524   9.097  -9.923
  237   2HB   ASP  34          2HB       ASP  34  -3.197   8.022  -9.494
  238    H    GLY  35           H        GLY  35  -5.588  10.242  -6.916
  239   1HA   GLY  35          1HA       GLY  35  -7.628  11.165  -6.286
  240   2HA   GLY  35          2HA       GLY  35  -7.959  10.964  -8.002
  241    H    ASP  36           H        ASP  36  -8.931   8.925  -8.632
  242    HA   ASP  36           HA       ASP  36 -11.216   8.293  -7.015
  243   1HB   ASP  36          1HB       ASP  36 -10.248   7.676  -9.662
  244   2HB   ASP  36          2HB       ASP  36 -10.850   6.209  -8.889
  245    H    GLY  37           H        GLY  37  -8.028   7.228  -6.747
  246   1HA   GLY  37          1HA       GLY  37  -7.247   5.746  -5.057
  247   2HA   GLY  37          2HA       GLY  37  -8.878   5.084  -4.922
  248    H    ASN  38           H        ASN  38  -7.662   5.486  -8.149
  249    HA   ASN  38           HA       ASN  38  -7.794   2.595  -8.552
  250   1HB   ASN  38          1HB       ASN  38  -7.286   4.967 -10.262
  251   2HB   ASN  38          2HB       ASN  38  -6.547   3.458 -10.794
  252   1HD2  ASN  38          1HD2      ASN  38  -7.890   2.123 -12.005
  253   2HD2  ASN  38          2HD2      ASN  38  -9.586   2.183 -12.002
  254    H    ILE  39           H        ILE  39  -6.111   1.160  -8.558
  255    HA   ILE  39           HA       ILE  39  -3.709   1.850  -7.191
  256    HB   ILE  39           HB       ILE  39  -4.962  -0.531  -8.045
  257   1HG1  ILE  39          1HG1      ILE  39  -2.717  -1.428  -6.823
  258   2HG1  ILE  39          2HG1      ILE  39  -2.658   0.271  -6.352
  259   1HG2  ILE  39          3HG2      ILE  39  -3.530  -0.423 -10.109
  260   2HG2  ILE  39          2HG2      ILE  39  -2.113  -0.517  -9.063
  261   3HG2  ILE  39          1HG2      ILE  39  -3.257  -1.856  -9.117
  262   1HD1  ILE  39          2HD1      ILE  39  -5.171  -0.045  -5.743
  263   2HD1  ILE  39          1HD1      ILE  39  -4.800  -1.769  -5.775
  264   3HD1  ILE  39          3HD1      ILE  39  -3.955  -0.706  -4.649
  265    H    LEU  40           H        LEU  40  -1.769   2.549  -7.862
  266    HA   LEU  40           HA       LEU  40  -1.396   3.033 -10.779
  267   1HB   LEU  40          1HB       LEU  40   0.464   4.026  -8.622
  268   2HB   LEU  40          2HB       LEU  40   0.152   4.719 -10.210
  269    HG   LEU  40           HG       LEU  40  -1.809   4.676  -7.891
  270   1HD1  LEU  40          1HD1      LEU  40   0.350   6.313  -8.186
  271   2HD1  LEU  40          3HD1      LEU  40  -0.871   7.215  -9.082
  272   3HD1  LEU  40          2HD1      LEU  40  -1.148   6.796  -7.392
  273   1HD2  LEU  40          1HD2      LEU  40  -2.350   4.735 -10.608
  274   2HD2  LEU  40          3HD2      LEU  40  -3.414   5.340  -9.338
  275   3HD2  LEU  40          2HD2      LEU  40  -2.318   6.443 -10.172
  276    H    GLN  41           H        GLN  41  -0.172   1.407  -7.940
  277    HA   GLN  41           HA       GLN  41   1.261  -0.524  -9.600
  278   1HB   GLN  41          1HB       GLN  41   3.249  -0.004  -7.713
  279   2HB   GLN  41          2HB       GLN  41   3.324   0.366  -9.427
  280   1HG   GLN  41          1HG       GLN  41   3.651   2.502  -8.759
  281   2HG   GLN  41          2HG       GLN  41   1.930   2.541  -8.409
  282   1HE2  GLN  41          2HE2      GLN  41   2.673   1.615  -4.873
  283   2HE2  GLN  41          1HE2      GLN  41   1.783   0.912  -6.128
  284    H    TYR  42           H        TYR  42   2.598  -1.946  -7.755
  285    HA   TYR  42           HA       TYR  42   1.058  -2.264  -5.276
  286   1HB   TYR  42          1HB       TYR  42  -0.046  -3.443  -7.485
  287   2HB   TYR  42          2HB       TYR  42   1.002  -4.734  -6.924
  288    HD1  TYR  42           HD1      TYR  42  -1.399  -2.231  -5.454
  289    HD2  TYR  42           HD2      TYR  42   0.066  -6.273  -5.437
  290    HE1  TYR  42           HE1      TYR  42  -3.105  -2.853  -3.751
  291    HE2  TYR  42           HE2      TYR  42  -1.643  -6.884  -3.736
  292    HH   TYR  42           HH       TYR  42  -3.575  -6.213  -2.768
  293    H    ASN  43           H        ASN  43   2.838  -4.443  -7.434
  294    HA   ASN  43           HA       ASN  43   5.156  -5.056  -7.275
  295   1HB   ASN  43          1HB       ASN  43   6.475  -4.848  -5.372
  296   2HB   ASN  43          2HB       ASN  43   5.383  -3.481  -5.197
  297   1HD2  ASN  43          2HD2      ASN  43   5.549  -5.380  -1.954
  298   2HD2  ASN  43          1HD2      ASN  43   6.719  -4.658  -2.947
  299    H    ALA  44           H        ALA  44   6.072  -7.176  -6.571
  300    HA   ALA  44           HA       ALA  44   3.909  -9.148  -6.505
  301   1HB   ALA  44          3HB       ALA  44   5.997  -9.340  -7.921
  302   2HB   ALA  44          2HB       ALA  44   6.890  -9.657  -6.434
  303   3HB   ALA  44          1HB       ALA  44   5.624 -10.769  -6.956
  304    H    ALA  45           H        ALA  45   5.862  -7.624  -4.127
  305    HA   ALA  45           HA       ALA  45   6.186  -9.742  -2.257
  306   1HB   ALA  45          3HB       ALA  45   6.788  -7.053  -2.290
  307   2HB   ALA  45          2HB       ALA  45   5.525  -7.135  -1.062
  308   3HB   ALA  45          1HB       ALA  45   6.986  -8.111  -0.892
  309    H    GLU  46           H        GLU  46   3.630  -7.219  -2.166
  310    HA   GLU  46           HA       GLU  46   2.030  -8.689  -0.280
  311   1HB   GLU  46          1HB       GLU  46   0.252  -7.097  -0.870
  312   2HB   GLU  46          2HB       GLU  46   1.785  -6.263  -0.667
  313   1HG   GLU  46          1HG       GLU  46   2.077  -6.559  -3.203
  314   2HG   GLU  46          2HG       GLU  46   0.358  -6.933  -3.221
  315    HE1  GLU  46           HE1      GLU  46  -0.857  -5.346  -1.808
  316    H    GLY  47           H        GLY  47   2.010  -8.399  -3.789
  317   1HA   GLY  47          1HA       GLY  47  -0.327  -9.942  -4.303
  318   2HA   GLY  47          2HA       GLY  47   1.039  -9.785  -5.418
  319    H    ASP  48           H        ASP  48   2.774 -10.909  -3.069
  320    HA   ASP  48           HA       ASP  48   2.443 -13.715  -3.914
  321   1HB   ASP  48          1HB       ASP  48   4.582 -12.067  -2.859
  322   2HB   ASP  48          2HB       ASP  48   4.434 -13.561  -1.934
  323    H    ILE  49           H        ILE  49   1.870 -11.714  -1.088
  324    HA   ILE  49           HA       ILE  49   1.420 -13.966   0.693
  325    HB   ILE  49           HB       ILE  49   1.633 -11.099   0.839
  326   1HG1  ILE  49          1HG1      ILE  49   2.338 -11.722   3.192
  327   2HG1  ILE  49          2HG1      ILE  49   1.966 -13.393   2.765
  328   1HG2  ILE  49          2HG2      ILE  49  -0.493 -12.382   2.559
  329   2HG2  ILE  49          1HG2      ILE  49   0.208 -10.791   2.856
  330   3HG2  ILE  49          3HG2      ILE  49  -0.732 -11.080   1.393
  331   1HD1  ILE  49          3HD1      ILE  49   3.507 -12.982   0.713
  332   2HD1  ILE  49          2HD1      ILE  49   4.097 -11.592   1.624
  333   3HD1  ILE  49          1HD1      ILE  49   4.266 -13.217   2.287
  334    H    THR  50           H        THR  50  -0.572 -11.670  -1.089
  335    HA   THR  50           HA       THR  50  -2.963 -13.308  -0.409
  336    HB   THR  50           HB       THR  50  -3.638 -11.225   0.321
  337    HG1  THR  50           HG1      THR  50  -4.107 -10.876  -2.441
  338   1HG2  THR  50          1HG2      THR  50  -1.408 -10.166  -0.508
  339   2HG2  THR  50          3HG2      THR  50  -2.320  -9.732  -1.952
  340   3HG2  THR  50          2HG2      THR  50  -2.807  -9.127  -0.371
  341    H    GLY  51           H        GLY  51  -0.797 -13.078  -2.846
  342   1HA   GLY  51          1HA       GLY  51  -0.958 -14.016  -5.004
  343   2HA   GLY  51          2HA       GLY  51  -2.686 -14.207  -4.741
  344    H    ARG  52           H        ARG  52  -2.117 -11.053  -3.973
  345    HA   ARG  52           HA       ARG  52  -3.344 -10.122  -6.418
  346   1HB   ARG  52          1HB       ARG  52  -2.518  -8.946  -3.846
  347   2HB   ARG  52          2HB       ARG  52  -2.534  -7.832  -5.213
  348   1HG   ARG  52          1HG       ARG  52  -4.765  -7.818  -5.279
  349   2HG   ARG  52          2HG       ARG  52  -4.854  -9.574  -5.254
  350   1HD   ARG  52          1HD       ARG  52  -5.402  -9.582  -3.081
  351   2HD   ARG  52          2HD       ARG  52  -4.040  -8.526  -2.698
  352    HE   ARG  52           HE       ARG  52  -5.561  -6.705  -2.644
  353   1HH1  ARG  52          1HH2      ARG  52  -6.510  -7.382  -5.544
  354   2HH1  ARG  52          2HH2      ARG  52  -8.198  -7.618  -5.268
  355   1HH2  ARG  52          2HH1      ARG  52  -7.886  -7.900  -1.840
  356   2HH2  ARG  52          1HH1      ARG  52  -8.972  -7.923  -3.188
  357    H    ASP  53           H        ASP  53  -1.790 -10.734  -8.032
  358    HA   ASP  53           HA       ASP  53   0.900  -9.725  -8.076
  359   1HB   ASP  53          1HB       ASP  53  -0.872 -11.178  -9.855
  360   2HB   ASP  53          2HB       ASP  53  -0.016  -9.917 -10.743
  361    HA   PRO  54           HA       PRO  54   0.215  -5.572  -9.351
  362   1HB   PRO  54          1HB       PRO  54   1.939  -5.181 -11.459
  363   2HB   PRO  54          2HB       PRO  54   2.464  -5.311  -9.772
  364   1HG   PRO  54          1HG       PRO  54   2.693  -7.317 -11.966
  365   2HG   PRO  54          2HG       PRO  54   3.705  -7.107 -10.529
  366   1HD   PRO  54          1HD       PRO  54   1.697  -9.065 -10.860
  367   2HD   PRO  54          2HD       PRO  54   2.467  -8.615  -9.323
  368    H    LYS  55           H        LYS  55   0.360  -7.656 -12.260
  369    HA   LYS  55           HA       LYS  55  -1.174  -5.905 -13.920
  370   1HB   LYS  55          1HB       LYS  55  -1.493  -7.921 -15.352
  371   2HB   LYS  55          2HB       LYS  55   0.193  -7.674 -14.891
  372   1HG   LYS  55          1HG       LYS  55  -1.024  -9.234 -12.844
  373   2HG   LYS  55          2HG       LYS  55  -1.469  -9.956 -14.391
  374   1HD   LYS  55          1HD       LYS  55   0.952  -9.876 -15.055
  375   2HD   LYS  55          2HD       LYS  55   1.334  -9.329 -13.422
  376   1HE   LYS  55          1HE       LYS  55   1.408 -11.488 -12.788
  377   2HE   LYS  55          2HE       LYS  55  -0.326 -11.580 -13.093
  378   1HZ   LYS  55          1HZ       LYS  55   0.248 -12.024 -15.464
  379   2HZ   LYS  55          3HZ       LYS  55   1.872 -12.169 -14.994
  380   3HZ   LYS  55          2HZ       LYS  55   0.712 -13.251 -14.385
  381    H    GLN  56           H        GLN  56  -2.109  -7.970 -11.326
  382    HA   GLN  56           HA       GLN  56  -4.877  -8.219 -12.321
  383   1HB   GLN  56          1HB       GLN  56  -3.280  -9.776 -10.631
  384   2HB   GLN  56          2HB       GLN  56  -4.463  -9.033  -9.554
  385   1HG   GLN  56          1HG       GLN  56  -6.256 -10.076 -10.571
  386   2HG   GLN  56          2HG       GLN  56  -5.448 -10.171 -12.138
  387   1HE2  GLN  56          2HE2      GLN  56  -4.415 -13.477 -11.549
  388   2HE2  GLN  56          1HE2      GLN  56  -4.835 -12.269 -12.667
  389    H    VAL  57           H        VAL  57  -3.198  -6.754  -9.524
  390    HA   VAL  57           HA       VAL  57  -5.587  -5.436  -8.561
  391    HB   VAL  57           HB       VAL  57  -4.043  -4.175  -7.120
  392   1HG1  VAL  57          2HG1      VAL  57  -4.136  -7.072  -7.391
  393   2HG1  VAL  57          1HG1      VAL  57  -2.643  -6.534  -6.622
  394   3HG1  VAL  57          3HG1      VAL  57  -4.202  -6.082  -5.931
  395   1HG2  VAL  57          2HG2      VAL  57  -2.248  -4.638  -9.267
  396   2HG2  VAL  57          1HG2      VAL  57  -1.928  -3.763  -7.771
  397   3HG2  VAL  57          3HG2      VAL  57  -1.589  -5.491  -7.870
  398    H    ILE  58           H        ILE  58  -3.641  -4.855 -11.264
  399    HA   ILE  58           HA       ILE  58  -3.715  -1.974 -11.249
  400    HB   ILE  58           HB       ILE  58  -2.890  -4.137 -13.079
  401   1HG1  ILE  58          1HG1      ILE  58  -1.882  -1.309 -13.032
  402   2HG1  ILE  58          2HG1      ILE  58  -1.600  -2.362 -11.645
  403   1HG2  ILE  58          2HG2      ILE  58  -3.907  -1.520 -14.251
  404   2HG2  ILE  58          1HG2      ILE  58  -2.916  -2.693 -15.117
  405   3HG2  ILE  58          3HG2      ILE  58  -4.543  -3.129 -14.594
  406   1HD1  ILE  58          1HD1      ILE  58  -0.904  -3.143 -14.487
  407   2HD1  ILE  58          3HD1      ILE  58   0.245  -2.392 -13.382
  408   3HD1  ILE  58          2HD1      ILE  58  -0.435  -3.974 -13.005
  409    H    GLY  59           H        GLY  59  -5.434  -0.731 -11.585
  410   1HA   GLY  59          1HA       GLY  59  -7.460  -0.044 -12.702
  411   2HA   GLY  59          2HA       GLY  59  -7.678  -1.703 -13.266
  412    H    LYS  60           H        LYS  60  -6.945  -2.558 -10.383
  413    HA   LYS  60           HA       LYS  60  -9.693  -2.660  -9.410
  414   1HB   LYS  60          1HB       LYS  60  -7.161  -3.521  -7.972
  415   2HB   LYS  60          2HB       LYS  60  -8.807  -4.062  -7.645
  416   1HG   LYS  60          1HG       LYS  60  -7.296  -4.551 -10.231
  417   2HG   LYS  60          2HG       LYS  60  -7.519  -5.740  -8.946
  418   1HD   LYS  60          1HD       LYS  60 -10.094  -4.776  -9.435
  419   2HD   LYS  60          2HD       LYS  60  -9.376  -4.927 -11.039
  420   1HE   LYS  60          1HE       LYS  60  -8.778  -7.195  -9.268
  421   2HE   LYS  60          2HE       LYS  60 -10.497  -7.003  -9.611
  422   1HZ   LYS  60          1HZ       LYS  60  -8.390  -7.014 -11.700
  423   2HZ   LYS  60          3HZ       LYS  60  -9.267  -8.392 -11.244
  424   3HZ   LYS  60          2HZ       LYS  60 -10.073  -7.066 -11.934
  425    H    ASN  61           H        ASN  61 -10.566  -1.320  -7.875
  426    HA   ASN  61           HA       ASN  61  -9.077   1.022  -7.018
  427   1HB   ASN  61          1HB       ASN  61 -11.818   0.133  -7.005
  428   2HB   ASN  61          2HB       ASN  61 -11.377   0.667  -5.384
  429   1HD2  ASN  61          2HD2      ASN  61 -10.881   3.456  -8.375
  430   2HD2  ASN  61          1HD2      ASN  61 -10.459   1.840  -8.680
  431    H    PHE  62           H        PHE  62  -7.734   1.093  -5.253
  432    HA   PHE  62           HA       PHE  62  -7.284  -1.217  -3.625
  433   1HB   PHE  62          1HB       PHE  62  -5.587   0.570  -3.943
  434   2HB   PHE  62          2HB       PHE  62  -6.574   1.640  -2.939
  435    HD1  PHE  62           HD1      PHE  62  -4.689  -1.552  -2.978
  436    HD2  PHE  62           HD2      PHE  62  -6.674   1.388  -0.557
  437    HE1  PHE  62           HE1      PHE  62  -3.791  -2.630  -0.932
  438    HE2  PHE  62           HE2      PHE  62  -5.758   0.315   1.484
  439    HZ   PHE  62           HZ       PHE  62  -4.347  -1.708   1.296
  440    H    PHE  63           H        PHE  63  -9.803   1.054  -3.497
  441    HA   PHE  63           HA       PHE  63 -10.263   0.410  -0.622
  442   1HB   PHE  63          1HB       PHE  63 -11.260   2.720  -2.311
  443   2HB   PHE  63          2HB       PHE  63 -11.789   2.406  -0.658
  444    HD1  PHE  63           HD1      PHE  63  -9.968   2.223   1.164
  445    HD2  PHE  63           HD2      PHE  63  -9.282   3.928  -2.718
  446    HE1  PHE  63           HE1      PHE  63  -7.960   3.389   2.030
  447    HE2  PHE  63           HE2      PHE  63  -7.271   5.092  -1.852
  448    HZ   PHE  63           HZ       PHE  63  -6.613   4.825   0.525
  449    H    LYS  64           H        LYS  64 -11.007  -1.236  -3.077
  450    HA   LYS  64           HA       LYS  64 -13.695  -1.881  -2.185
  451   1HB   LYS  64          1HB       LYS  64 -13.899   0.197  -3.731
  452   2HB   LYS  64          2HB       LYS  64 -13.553  -0.935  -5.039
  453   1HG   LYS  64          1HG       LYS  64 -15.933  -0.877  -4.851
  454   2HG   LYS  64          2HG       LYS  64 -15.430  -2.389  -4.092
  455   1HD   LYS  64          1HD       LYS  64 -15.569  -1.372  -1.878
  456   2HD   LYS  64          2HD       LYS  64 -15.958   0.193  -2.592
  457   1HE   LYS  64          1HE       LYS  64 -18.087  -0.523  -3.304
  458   2HE   LYS  64          2HE       LYS  64 -17.658  -2.228  -3.166
  459   1HZ   LYS  64          1HZ       LYS  64 -17.688  -0.450  -0.807
  460   2HZ   LYS  64          3HZ       LYS  64 -19.099  -1.221  -1.345
  461   3HZ   LYS  64          2HZ       LYS  64 -17.761  -2.147  -0.858
  462    H    ASP  65           H        ASP  65 -11.754  -2.142  -5.200
  463    HA   ASP  65           HA       ASP  65 -12.548  -4.972  -5.399
  464   1HB   ASP  65          1HB       ASP  65 -11.379  -2.943  -7.197
  465   2HB   ASP  65          2HB       ASP  65 -10.794  -4.588  -7.448
  466    H    VAL  66           H        VAL  66 -10.013  -3.301  -3.873
  467    HA   VAL  66           HA       VAL  66  -8.276  -5.708  -4.123
  468    HB   VAL  66           HB       VAL  66  -7.443  -2.964  -3.269
  469   1HG1  VAL  66          3HG1      VAL  66  -5.942  -5.454  -4.114
  470   2HG1  VAL  66          2HG1      VAL  66  -5.172  -3.882  -3.910
  471   3HG1  VAL  66          1HG1      VAL  66  -5.916  -4.684  -2.527
  472   1HG2  VAL  66          2HG2      VAL  66  -8.291  -2.990  -5.615
  473   2HG2  VAL  66          1HG2      VAL  66  -6.565  -2.639  -5.518
  474   3HG2  VAL  66          3HG2      VAL  66  -7.111  -4.248  -5.989
  475    H    ALA  67           H        ALA  67  -9.880  -3.489  -2.016
  476    HA   ALA  67           HA       ALA  67  -9.535  -5.310   0.237
  477   1HB   ALA  67          1HB       ALA  67  -8.073  -2.670   0.020
  478   2HB   ALA  67          3HB       ALA  67  -8.461  -3.373   1.589
  479   3HB   ALA  67          2HB       ALA  67  -7.424  -4.249   0.464
  480    HA   PRO  68           HA       PRO  68 -13.393  -2.868   0.385
  481   1HB   PRO  68          1HB       PRO  68 -14.881  -4.882   1.531
  482   2HB   PRO  68          2HB       PRO  68 -14.633  -4.711  -0.216
  483   1HG   PRO  68          1HG       PRO  68 -13.380  -6.650   1.678
  484   2HG   PRO  68          2HG       PRO  68 -13.706  -6.825  -0.054
  485   1HD   PRO  68          1HD       PRO  68 -11.195  -6.250   1.081
  486   2HD   PRO  68          2HD       PRO  68 -11.630  -6.028  -0.628
  487    H    CYS  69           H        CYS  69 -11.250  -4.021   2.691
  488    HA   CYS  69           HA       CYS  69 -12.868  -3.292   5.045
  489   1HB   CYS  69          1HB       CYS  69 -10.862  -3.986   6.305
  490   2HB   CYS  69          2HB       CYS  69 -11.322  -5.231   5.142
  491    H    THR  70           H        THR  70 -10.442  -1.949   2.934
  492    HA   THR  70           HA       THR  70  -9.537   0.133   4.727
  493    HB   THR  70           HB       THR  70  -8.582   1.137   2.644
  494    HG1  THR  70           HG1      THR  70 -10.443   0.164   1.396
  495   1HG2  THR  70          2HG2      THR  70  -8.192  -1.783   3.276
  496   2HG2  THR  70          1HG2      THR  70  -7.242  -0.991   2.019
  497   3HG2  THR  70          3HG2      THR  70  -7.153  -0.418   3.685
  498    H    ASP  71           H        ASP  71 -12.504  -0.319   3.201
  499    HA   ASP  71           HA       ASP  71 -12.984   2.546   2.681
  500   1HB   ASP  71          1HB       ASP  71 -15.248   1.789   2.014
  501   2HB   ASP  71          2HB       ASP  71 -13.990   0.887   1.173
  502    H    SER  72           H        SER  72 -12.336   2.583   5.203
  503    HA   SER  72           HA       SER  72 -14.903   2.968   6.625
  504   1HB   SER  72          1HB       SER  72 -12.984   0.844   7.186
  505   2HB   SER  72          2HB       SER  72 -13.233   1.885   8.584
  506    HG   SER  72           HG       SER  72 -15.053   0.282   7.171
  507    HA   PRO  73           HA       PRO  73 -12.816   6.432   8.365
  508   1HB   PRO  73          1HB       PRO  73 -13.653   6.432  10.987
  509   2HB   PRO  73          2HB       PRO  73 -14.684   6.907   9.627
  510   1HG   PRO  73          1HG       PRO  73 -14.724   4.387  11.226
  511   2HG   PRO  73          2HG       PRO  73 -16.045   5.187  10.358
  512   1HD   PRO  73          1HD       PRO  73 -14.622   2.926   9.452
  513   2HD   PRO  73          2HD       PRO  73 -15.665   3.962   8.455
  514    H    GLU  74           H        GLU  74 -10.711   5.281   8.127
  515    HA   GLU  74           HA       GLU  74  -8.975   5.541  10.297
  516   1HB   GLU  74          1HB       GLU  74 -10.603   3.246  10.640
  517   2HB   GLU  74          2HB       GLU  74  -9.016   2.657  10.149
  518   1HG   GLU  74          1HG       GLU  74  -7.940   3.613  11.992
  519   2HG   GLU  74          2HG       GLU  74  -9.227   4.789  12.257
  520    H    PHE  75           H        PHE  75  -9.872   3.663   7.479
  521    HA   PHE  75           HA       PHE  75  -7.013   3.587   6.608
  522   1HB   PHE  75          1HB       PHE  75  -8.777   1.525   6.672
  523   2HB   PHE  75          2HB       PHE  75  -9.112   2.155   5.057
  524    HD1  PHE  75           HD2      PHE  75  -7.023   2.704   3.583
  525    HD2  PHE  75           HD1      PHE  75  -6.950   0.086   6.984
  526    HE1  PHE  75           HE2      PHE  75  -4.945   1.655   2.731
  527    HE2  PHE  75           HE1      PHE  75  -4.869  -0.965   6.134
  528    HZ   PHE  75           HZ       PHE  75  -3.867  -0.179   4.005
  529    H    TYR  76           H        TYR  76 -10.235   3.831   5.016
  530    HA   TYR  76           HA       TYR  76  -9.103   5.653   3.013
  531   1HB   TYR  76          1HB       TYR  76 -10.968   4.024   2.486
  532   2HB   TYR  76          2HB       TYR  76 -12.034   5.023   3.477
  533    HD1  TYR  76           HD2      TYR  76  -9.347   5.719   0.940
  534    HD2  TYR  76           HD1      TYR  76 -13.399   6.405   2.193
  535    HE1  TYR  76           HE2      TYR  76  -9.670   7.270  -0.976
  536    HE2  TYR  76           HE1      TYR  76 -13.727   7.954   0.283
  537    HH   TYR  76           HH       TYR  76 -11.459   8.202  -2.296
  538    H    GLY  77           H        GLY  77 -10.670   5.885   6.095
  539   1HA   GLY  77          1HA       GLY  77 -11.754   8.523   5.900
  540   2HA   GLY  77          2HA       GLY  77 -11.228   7.756   7.391
  541    H    LYS  78           H        LYS  78  -8.640   7.425   7.243
  542    HA   LYS  78           HA       LYS  78  -7.564  10.081   7.439
  543   1HB   LYS  78          1HB       LYS  78  -5.895   7.590   7.118
  544   2HB   LYS  78          2HB       LYS  78  -5.531   9.041   8.053
  545   1HG   LYS  78          1HG       LYS  78  -7.438   6.804   8.699
  546   2HG   LYS  78          2HG       LYS  78  -6.207   7.534   9.724
  547   1HD   LYS  78          1HD       LYS  78  -7.783   9.696   9.323
  548   2HD   LYS  78          2HD       LYS  78  -8.997   8.427   9.164
  549   1HE   LYS  78          1HE       LYS  78  -7.628   7.572  11.378
  550   2HE   LYS  78          2HE       LYS  78  -7.515   9.323  11.559
  551   1HZ   LYS  78          2HZ       LYS  78  -9.908   9.473  11.292
  552   2HZ   LYS  78          1HZ       LYS  78 -10.017   7.787  11.122
  553   3HZ   LYS  78          3HZ       LYS  78  -9.515   8.457  12.597
  554    H    PHE  79           H        PHE  79  -8.051   8.003   4.774
  555    HA   PHE  79           HA       PHE  79  -5.967   9.094   3.102
  556   1HB   PHE  79          1HB       PHE  79  -6.837   6.885   2.630
  557   2HB   PHE  79          2HB       PHE  79  -8.474   7.518   2.529
  558    HD1  PHE  79           HD1      PHE  79  -8.969   9.270   0.680
  559    HD2  PHE  79           HD2      PHE  79  -5.468   6.761   0.682
  560    HE1  PHE  79           HE1      PHE  79  -8.685   9.639  -1.764
  561    HE2  PHE  79           HE2      PHE  79  -5.227   7.116  -1.738
  562    HZ   PHE  79           HZ       PHE  79  -6.810   8.555  -2.957
  563    H    LYS  80           H        LYS  80  -9.385   9.729   3.682
  564    HA   LYS  80           HA       LYS  80  -9.521  11.765   1.643
  565   1HB   LYS  80          1HB       LYS  80 -11.364  10.746   3.777
  566   2HB   LYS  80          2HB       LYS  80 -11.713  12.286   2.988
  567   1HG   LYS  80          1HG       LYS  80 -11.222  10.860   0.789
  568   2HG   LYS  80          2HG       LYS  80 -11.705   9.526   1.835
  569   1HD   LYS  80          1HD       LYS  80 -13.441  11.927   1.939
  570   2HD   LYS  80          2HD       LYS  80 -13.472  11.028   0.422
  571   1HE   LYS  80          1HE       LYS  80 -14.880   9.570   1.405
  572   2HE   LYS  80          2HE       LYS  80 -13.542   9.070   2.439
  573   1HZ   LYS  80          2HZ       LYS  80 -15.304  11.382   3.023
  574   2HZ   LYS  80          1HZ       LYS  80 -15.550   9.825   3.656
  575   3HZ   LYS  80          3HZ       LYS  80 -14.145  10.688   4.052
  576    H    GLU  81           H        GLU  81  -8.125  11.551   4.667
  577    HA   GLU  81           HA       GLU  81  -8.607  14.408   5.367
  578   1HB   GLU  81          1HB       GLU  81  -6.952  12.347   6.857
  579   2HB   GLU  81          2HB       GLU  81  -7.536  13.892   7.477
  580   1HG   GLU  81          1HG       GLU  81  -9.651  12.134   6.407
  581   2HG   GLU  81          2HG       GLU  81  -8.826  11.496   7.830
  582    H    GLY  82           H        GLY  82  -6.102  12.136   4.448
  583   1HA   GLY  82          1HA       GLY  82  -3.910  14.031   4.500
  584   2HA   GLY  82          2HA       GLY  82  -3.896  12.464   3.686
  585    H    VAL  83           H        VAL  83  -6.100  12.763   2.030
  586    HA   VAL  83           HA       VAL  83  -5.009  14.114  -0.225
  587    HB   VAL  83           HB       VAL  83  -7.915  13.455   0.350
  588   1HG1  VAL  83          2HG1      VAL  83  -6.524  14.678  -1.907
  589   2HG1  VAL  83          1HG1      VAL  83  -7.400  13.222  -2.377
  590   3HG1  VAL  83          3HG1      VAL  83  -8.254  14.551  -1.594
  591   1HG2  VAL  83          1HG2      VAL  83  -5.794  11.700   0.201
  592   2HG2  VAL  83          3HG2      VAL  83  -7.469  11.293  -0.172
  593   3HG2  VAL  83          2HG2      VAL  83  -6.363  11.742  -1.466
  594    H    ALA  84           H        ALA  84  -7.397  15.184   2.194
  595    HA   ALA  84           HA       ALA  84  -7.766  17.759   0.845
  596   1HB   ALA  84          1HB       ALA  84  -8.855  16.441   3.300
  597   2HB   ALA  84          3HB       ALA  84  -8.975  18.195   3.162
  598   3HB   ALA  84          2HB       ALA  84  -9.715  17.162   1.940
  599    H    SER  85           H        SER  85  -5.567  16.493   3.178
  600    HA   SER  85           HA       SER  85  -4.983  19.149   4.323
  601   1HB   SER  85          1HB       SER  85  -3.802  16.400   4.764
  602   2HB   SER  85          2HB       SER  85  -3.154  17.851   5.525
  603    HG   SER  85           HG       SER  85  -5.442  18.181   6.208
  604    H    GLY  86           H        GLY  86  -3.861  17.131   1.738
  605   1HA   GLY  86          1HA       GLY  86  -2.345  17.740   0.021
  606   2HA   GLY  86          2HA       GLY  86  -1.983  19.222   0.914
  607    H    ASN  87           H        ASN  87  -1.827  16.235   2.658
  608    HA   ASN  87           HA       ASN  87   0.972  15.686   2.135
  609   1HB   ASN  87          1HB       ASN  87   0.212  17.541   4.306
  610   2HB   ASN  87          2HB       ASN  87   1.298  16.239   4.793
  611   1HD2  ASN  87          1HD2      ASN  87   1.584  19.330   3.995
  612   2HD2  ASN  87          2HD2      ASN  87   2.985  19.308   3.037
  613    H    LEU  88           H        LEU  88  -0.935  13.898   1.943
  614    HA   LEU  88           HA       LEU  88  -2.000  12.524   4.111
  615   1HB   LEU  88          1HB       LEU  88  -2.166  11.977   1.602
  616   2HB   LEU  88          2HB       LEU  88  -0.678  11.058   1.833
  617    HG   LEU  88           HG       LEU  88  -2.886  10.595   3.784
  618   1HD1  LEU  88          1HD1      LEU  88  -3.733  10.648   1.278
  619   2HD1  LEU  88          3HD1      LEU  88  -2.923   9.084   1.192
  620   3HD1  LEU  88          2HD1      LEU  88  -4.224   9.340   2.352
  621   1HD2  LEU  88          2HD2      LEU  88  -0.897   8.807   2.346
  622   2HD2  LEU  88          1HD2      LEU  88  -0.714   9.446   3.980
  623   3HD2  LEU  88          3HD2      LEU  88  -1.996   8.290   3.626
  624    H    ASN  89           H        ASN  89  -1.129  11.601   5.874
  625    HA   ASN  89           HA       ASN  89   1.359  10.080   5.735
  626   1HB   ASN  89          1HB       ASN  89   2.523  11.458   7.463
  627   2HB   ASN  89          2HB       ASN  89   2.298  12.332   5.949
  628   1HD2  ASN  89          2HD2      ASN  89   0.960  14.098   9.187
  629   2HD2  ASN  89          1HD2      ASN  89   2.256  13.007   9.093
  630    H    THR  90           H        THR  90  -0.058   8.393   6.576
  631    HA   THR  90           HA       THR  90  -0.436   8.630   9.497
  632    HB   THR  90           HB       THR  90  -2.536   9.527   8.689
  633    HG1  THR  90           HG1      THR  90  -2.949   6.802   9.328
  634   1HG2  THR  90          1HG2      THR  90  -2.088   7.826   6.511
  635   2HG2  THR  90          3HG2      THR  90  -3.519   7.170   7.306
  636   3HG2  THR  90          2HG2      THR  90  -3.501   8.850   6.771
  637    H    MET  91           H        MET  91  -0.740   6.603  10.525
  638    HA   MET  91           HA       MET  91  -0.553   4.172   8.817
  639   1HB   MET  91          1HB       MET  91   1.213   3.305  10.435
  640   2HB   MET  91          2HB       MET  91   1.759   4.584   9.350
  641   1HG   MET  91          2HG       MET  91   1.973   6.113  11.041
  642   2HG   MET  91          1HG       MET  91   0.586   5.476  11.927
  643   1HE   MET  91          3HE       MET  91   3.413   6.527  12.738
  644   2HE   MET  91          2HE       MET  91   4.498   5.351  13.475
  645   3HE   MET  91          1HE       MET  91   4.492   5.558  11.726
  646    H    PHE  92           H        PHE  92  -0.599   2.209  10.524
  647    HA   PHE  92           HA       PHE  92  -1.816   2.443  13.035
  648   1HB   PHE  92          1HB       PHE  92  -4.225   1.875  12.391
  649   2HB   PHE  92          2HB       PHE  92  -3.729   3.542  12.123
  650    HD1  PHE  92           HD1      PHE  92  -4.355   0.280  10.465
  651    HD2  PHE  92           HD2      PHE  92  -3.565   4.456   9.910
  652    HE1  PHE  92           HE1      PHE  92  -4.924   0.065   8.061
  653    HE2  PHE  92           HE2      PHE  92  -4.141   4.240   7.511
  654    HZ   PHE  92           HZ       PHE  92  -4.801   2.042   6.582
  655    H    GLU  93           H        GLU  93  -3.044   0.319  13.606
  656    HA   GLU  93           HA       GLU  93  -1.572  -1.884  12.267
  657   1HB   GLU  93          1HB       GLU  93  -2.317  -1.360  14.953
  658   2HB   GLU  93          2HB       GLU  93  -3.296  -2.736  14.439
  659   1HG   GLU  93          1HG       GLU  93  -1.471  -4.107  14.152
  660   2HG   GLU  93          2HG       GLU  93  -0.411  -2.774  13.689
  661    H    TYR  94           H        TYR  94  -2.646  -2.634  10.493
  662    HA   TYR  94           HA       TYR  94  -5.618  -2.864  10.713
  663   1HB   TYR  94          1HB       TYR  94  -4.091  -1.631   8.749
  664   2HB   TYR  94          2HB       TYR  94  -4.492  -3.192   8.033
  665    HD1  TYR  94           HD1      TYR  94  -6.235  -0.697  10.240
  666    HD2  TYR  94           HD2      TYR  94  -6.417  -3.175   6.737
  667    HE1  TYR  94           HE1      TYR  94  -8.547   0.090   9.803
  668    HE2  TYR  94           HE2      TYR  94  -8.725  -2.386   6.300
  669    HH   TYR  94           HH       TYR  94 -10.021   0.237   7.442
  670    H    THR  95           H        THR  95  -6.484  -4.738   9.348
  671    HA   THR  95           HA       THR  95  -4.644  -7.072   9.433
  672    HB   THR  95           HB       THR  95  -7.478  -7.042  10.518
  673    HG1  THR  95           HG1      THR  95  -6.378  -7.442  12.494
  674   1HG2  THR  95          1HG2      THR  95  -6.398  -9.150   9.340
  675   2HG2  THR  95          3HG2      THR  95  -5.524  -9.286  10.865
  676   3HG2  THR  95          2HG2      THR  95  -7.285  -9.331  10.852
  677    H    PHE  96           H        PHE  96  -4.556  -7.599   7.295
  678    HA   PHE  96           HA       PHE  96  -6.881  -7.204   5.552
  679   1HB   PHE  96          1HB       PHE  96  -4.148  -8.434   5.089
  680   2HB   PHE  96          2HB       PHE  96  -5.384  -8.342   3.841
  681    HD1  PHE  96           HD1      PHE  96  -5.885  -5.493   5.834
  682    HD2  PHE  96           HD2      PHE  96  -3.149  -7.089   2.915
  683    HE1  PHE  96           HE1      PHE  96  -5.133  -3.198   5.278
  684    HE2  PHE  96           HE2      PHE  96  -2.403  -4.788   2.370
  685    HZ   PHE  96           HZ       PHE  96  -3.388  -2.841   3.551
  686    H    ASP  97           H        ASP  97  -8.398  -8.591   6.617
  687    HA   ASP  97           HA       ASP  97  -7.809 -11.510   6.432
  688   1HB   ASP  97          1HB       ASP  97  -8.489 -10.501   8.678
  689   2HB   ASP  97          2HB       ASP  97 -10.069 -10.187   7.958
  690    H    TYR  98           H        TYR  98  -8.505  -9.845   4.198
  691    HA   TYR  98           HA       TYR  98 -11.327 -10.298   3.594
  692   1HB   TYR  98          1HB       TYR  98 -10.948  -8.927   1.774
  693   2HB   TYR  98          2HB       TYR  98  -9.521  -8.478   2.696
  694    HD1  TYR  98           HD2      TYR  98  -7.680 -10.692   2.355
  695    HD2  TYR  98           HD1      TYR  98 -10.406  -8.978  -0.480
  696    HE1  TYR  98           HE2      TYR  98  -6.284 -11.571   0.508
  697    HE2  TYR  98           HE1      TYR  98  -9.019  -9.865  -2.342
  698    HH   TYR  98           HH       TYR  98  -7.374 -11.478  -2.807
  699    H    GLN  99           H        GLN  99 -11.997 -11.734   1.799
  700    HA   GLN  99           HA       GLN  99 -11.988 -14.246   1.599
  701   1HB   GLN  99          1HB       GLN  99 -10.644 -12.788  -0.686
  702   2HB   GLN  99          2HB       GLN  99 -11.335 -14.407  -0.794
  703   1HG   GLN  99          1HG       GLN  99 -13.306 -12.758   0.409
  704   2HG   GLN  99          2HG       GLN  99 -12.679 -11.874  -0.984
  705   1HE2  GLN  99          2HE2      GLN  99 -15.346 -14.617  -1.784
  706   2HE2  GLN  99          1HE2      GLN  99 -15.238 -13.671  -0.379
  707    H    MET 100           H        MET 100 -10.183 -14.530   3.367
  708    HA   MET 100           HA       MET 100  -8.262 -16.397   2.408
  709   1HB   MET 100          1HB       MET 100  -7.483 -13.792   1.792
  710   2HB   MET 100          2HB       MET 100  -6.643 -14.117   3.313
  711   1HG   MET 100          2HG       MET 100  -6.379 -16.481   1.805
  712   2HG   MET 100          1HG       MET 100  -6.085 -15.167   0.668
  713   1HE   MET 100          3HE       MET 100  -5.016 -13.107   1.393
  714   2HE   MET 100          2HE       MET 100  -4.740 -12.922   3.122
  715   3HE   MET 100          1HE       MET 100  -3.367 -13.097   2.032
  716    H    THR 101           H        THR 101  -6.189 -15.705   4.371
  717    HA   THR 101           HA       THR 101  -7.681 -16.484   6.812
  718    HB   THR 101           HB       THR 101  -4.876 -16.336   7.300
  719    HG1  THR 101           HG1      THR 101  -4.248 -17.807   5.580
  720   1HG2  THR 101          3HG2      THR 101  -7.035 -18.135   7.578
  721   2HG2  THR 101          2HG2      THR 101  -5.795 -18.999   6.672
  722   3HG2  THR 101          1HG2      THR 101  -5.413 -18.302   8.246
  723    HA   PRO 102           HA       PRO 102  -7.028 -12.618   8.817
  724   1HB   PRO 102          1HB       PRO 102  -6.002 -13.260  11.287
  725   2HB   PRO 102          2HB       PRO 102  -7.694 -13.521  10.830
  726   1HG   PRO 102          1HG       PRO 102  -5.500 -15.517  11.122
  727   2HG   PRO 102          2HG       PRO 102  -7.249 -15.740  11.292
  728   1HD   PRO 102          1HD       PRO 102  -5.695 -16.471   9.047
  729   2HD   PRO 102          2HD       PRO 102  -7.468 -16.376   9.097
  730    H    THR 103           H        THR 103  -5.446 -11.289   7.986
  731    HA   THR 103           HA       THR 103  -2.600 -11.970   8.598
  732    HB   THR 103           HB       THR 103  -3.900 -10.576   6.253
  733    HG1  THR 103           HG1      THR 103  -3.206 -12.284   5.250
  734   1HG2  THR 103          1HG2      THR 103  -1.255 -10.011   7.429
  735   2HG2  THR 103          3HG2      THR 103  -1.203 -10.431   5.717
  736   3HG2  THR 103          2HG2      THR 103  -2.190  -9.077   6.263
  737    H    LYS 104           H        LYS 104  -1.490 -10.564   9.854
  738    HA   LYS 104           HA       LYS 104  -2.782  -7.940  10.477
  739   1HB   LYS 104          1HB       LYS 104  -0.422  -8.984  12.021
  740   2HB   LYS 104          2HB       LYS 104  -1.759  -7.982  12.580
  741   1HG   LYS 104          1HG       LYS 104  -2.070 -10.890  11.795
  742   2HG   LYS 104          2HG       LYS 104  -1.784 -10.354  13.450
  743   1HD   LYS 104          1HD       LYS 104  -3.885  -9.462  13.674
  744   2HD   LYS 104          2HD       LYS 104  -3.987  -9.009  11.973
  745   1HE   LYS 104          1HE       LYS 104  -4.809 -11.055  11.335
  746   2HE   LYS 104          2HE       LYS 104  -3.881 -11.922  12.559
  747   1HZ   LYS 104          2HZ       LYS 104  -5.422 -10.849  14.223
  748   2HZ   LYS 104          1HZ       LYS 104  -6.406 -10.420  12.907
  749   3HZ   LYS 104          3HZ       LYS 104  -6.104 -12.055  13.239
  750    H    VAL 105           H        VAL 105  -1.492  -6.033  10.145
  751    HA   VAL 105           HA       VAL 105   1.278  -6.415   9.150
  752    HB   VAL 105           HB       VAL 105   0.842  -5.239   7.036
  753   1HG1  VAL 105          1HG1      VAL 105   0.537  -7.791   7.299
  754   2HG1  VAL 105          3HG1      VAL 105  -1.195  -7.467   7.228
  755   3HG1  VAL 105          2HG1      VAL 105  -0.162  -7.047   5.863
  756   1HG2  VAL 105          3HG2      VAL 105  -2.041  -5.250   7.982
  757   2HG2  VAL 105          2HG2      VAL 105  -1.037  -3.841   7.641
  758   3HG2  VAL 105          1HG2      VAL 105  -1.558  -4.892   6.325
  759    H    LYS 106           H        LYS 106   2.489  -4.504   9.345
  760    HA   LYS 106           HA       LYS 106   1.290  -2.278  10.858
  761   1HB   LYS 106          1HB       LYS 106   4.031  -2.641   9.569
  762   2HB   LYS 106          2HB       LYS 106   3.544  -1.208  10.466
  763   1HG   LYS 106          1HG       LYS 106   4.522  -2.304  12.176
  764   2HG   LYS 106          2HG       LYS 106   2.947  -3.086  12.285
  765   1HD   LYS 106          1HD       LYS 106   4.143  -5.020  12.101
  766   2HD   LYS 106          2HD       LYS 106   4.183  -4.621  10.382
  767   1HE   LYS 106          1HE       LYS 106   6.409  -4.297  10.453
  768   2HE   LYS 106          2HE       LYS 106   6.238  -3.148  11.779
  769   1HZ   LYS 106          1HZ       LYS 106   5.832  -5.856  12.616
  770   2HZ   LYS 106          3HZ       LYS 106   7.369  -5.621  11.938
  771   3HZ   LYS 106          2HZ       LYS 106   6.867  -4.668  13.253
  772    H    VAL 107           H        VAL 107   0.077  -0.801   9.592
  773    HA   VAL 107           HA       VAL 107   0.764  -0.777   6.697
  774    HB   VAL 107           HB       VAL 107  -1.440   0.349   6.416
  775   1HG1  VAL 107          3HG1      VAL 107  -1.251  -2.157   6.695
  776   2HG1  VAL 107          2HG1      VAL 107  -1.791  -1.912   8.355
  777   3HG1  VAL 107          1HG1      VAL 107  -2.836  -1.450   7.009
  778   1HG2  VAL 107          1HG2      VAL 107  -0.955   1.033   9.122
  779   2HG2  VAL 107          3HG2      VAL 107  -2.311   1.521   8.117
  780   3HG2  VAL 107          2HG2      VAL 107  -2.410   0.051   9.085
  781    H    HIS 108           H        HIS 108   1.133   1.247   5.654
  782    HA   HIS 108           HA       HIS 108   1.433   3.691   7.275
  783   1HB   HIS 108          1HB       HIS 108   3.566   2.331   7.614
  784   2HB   HIS 108          2HB       HIS 108   3.870   2.536   5.889
  785    HD1  HIS 108           HD1      HIS 108   5.915   3.796   7.668
  786    HD2  HIS 108           HD2      HIS 108   2.442   5.815   6.558
  787    HE1  HIS 108           HE1      HIS 108   6.406   6.266   7.939
  788    H    MET 109           H        MET 109   0.175   4.850   5.822
  789    HA   MET 109           HA       MET 109   0.981   4.676   2.944
  790   1HB   MET 109          1HB       MET 109  -1.598   5.981   3.461
  791   2HB   MET 109          2HB       MET 109  -1.217   4.664   2.358
  792   1HG   MET 109          2HG       MET 109  -2.618   3.529   3.845
  793   2HG   MET 109          1HG       MET 109  -1.074   3.267   4.656
  794   1HE   MET 109          1HE       MET 109  -4.149   4.936   4.157
  795   2HE   MET 109          3HE       MET 109  -4.768   5.213   5.791
  796   3HE   MET 109          2HE       MET 109  -3.957   6.511   4.920
  797    H    LYS 110           H        LYS 110   1.371   6.660   1.766
  798    HA   LYS 110           HA       LYS 110   1.116   9.170   3.416
  799   1HB   LYS 110          1HB       LYS 110   3.513   7.837   3.184
  800   2HB   LYS 110          2HB       LYS 110   3.616   8.985   1.856
  801   1HG   LYS 110          1HG       LYS 110   2.587  10.258   4.245
  802   2HG   LYS 110          2HG       LYS 110   4.123   9.473   4.576
  803   1HD   LYS 110          1HD       LYS 110   5.295  10.802   3.106
  804   2HD   LYS 110          2HD       LYS 110   3.904  11.049   2.050
  805   1HE   LYS 110          1HE       LYS 110   3.016  12.740   3.392
  806   2HE   LYS 110          2HE       LYS 110   3.875  12.186   4.830
  807   1HZ   LYS 110          3HZ       LYS 110   5.934  12.763   3.303
  808   2HZ   LYS 110          2HZ       LYS 110   4.817  13.848   2.622
  809   3HZ   LYS 110          1HZ       LYS 110   5.185  13.932   4.279
  810    H    LYS 111           H        LYS 111   1.971  11.070   1.817
  811    HA   LYS 111           HA       LYS 111   0.281  10.766  -0.588
  812   1HB   LYS 111          1HB       LYS 111  -0.088  12.782   0.667
  813   2HB   LYS 111          2HB       LYS 111   1.633  13.159   0.690
  814   1HG   LYS 111          1HG       LYS 111   0.700  12.797  -2.035
  815   2HG   LYS 111          2HG       LYS 111  -0.263  14.021  -1.206
  816   1HD   LYS 111          1HD       LYS 111   2.517  14.371  -0.532
  817   2HD   LYS 111          2HD       LYS 111   2.339  14.322  -2.284
  818   1HE   LYS 111          1HE       LYS 111   0.809  16.136  -2.293
  819   2HE   LYS 111          2HE       LYS 111   0.526  16.009  -0.556
  820   1HZ   LYS 111          3HZ       LYS 111   3.264  16.490  -1.456
  821   2HZ   LYS 111          2HZ       LYS 111   2.166  17.782  -1.567
  822   3HZ   LYS 111          1HZ       LYS 111   2.469  17.045  -0.066
  823    H    ALA 112           H        ALA 112   1.380   9.709  -2.163
  824    HA   ALA 112           HA       ALA 112   4.139   9.607  -2.612
  825   1HB   ALA 112          2HB       ALA 112   1.918   8.582  -3.835
  826   2HB   ALA 112          1HB       ALA 112   2.511   9.697  -5.065
  827   3HB   ALA 112          3HB       ALA 112   3.561   8.419  -4.452
  828    H    LEU 113           H        LEU 113   5.588  10.854  -3.866
  829    HA   LEU 113           HA       LEU 113   4.761  13.668  -4.246
  830   1HB   LEU 113          1HB       LEU 113   7.050  12.596  -3.247
  831   2HB   LEU 113          2HB       LEU 113   7.522  12.849  -4.928
  832    HG   LEU 113           HG       LEU 113   6.269  15.201  -4.442
  833   1HD1  LEU 113          3HD1      LEU 113   7.483  14.282  -1.819
  834   2HD1  LEU 113          2HD1      LEU 113   7.063  15.957  -2.179
  835   3HD1  LEU 113          1HD1      LEU 113   5.801  14.728  -2.107
  836   1HD2  LEU 113          3HD2      LEU 113   8.567  14.825  -5.345
  837   2HD2  LEU 113          2HD2      LEU 113   8.506  16.153  -4.188
  838   3HD2  LEU 113          1HD2      LEU 113   9.146  14.585  -3.696
  839    H    SER 114           H        SER 114   4.281  11.145  -6.129
  840    HA   SER 114           HA       SER 114   5.556  12.064  -8.587
  841   1HB   SER 114          1HB       SER 114   3.956   9.735  -7.734
  842   2HB   SER 114          2HB       SER 114   3.693  10.244  -9.400
  843    HG   SER 114           HG       SER 114   5.458   8.741  -9.086
  844    H    GLY 115           H        GLY 115   3.175  13.450  -6.907
  845   1HA   GLY 115          1HA       GLY 115   2.121  15.291  -8.424
  846   2HA   GLY 115          2HA       GLY 115   1.387  13.909  -9.241
  847    H    ASP 116           H        ASP 116   1.926  14.497  -5.762
  848    HA   ASP 116           HA       ASP 116   0.408  14.453  -3.976
  849   1HB   ASP 116          1HB       ASP 116  -1.346  15.561  -6.183
  850   2HB   ASP 116          2HB       ASP 116  -1.888  15.406  -4.513
  851    H    SER 117           H        SER 117   0.842  11.978  -4.942
  852    HA   SER 117           HA       SER 117  -1.776  10.741  -5.571
  853   1HB   SER 117          1HB       SER 117   0.555   8.984  -5.151
  854   2HB   SER 117          2HB       SER 117  -0.596   9.024  -6.480
  855    HG   SER 117           HG       SER 117   0.551  10.619  -7.432
  856    H    TYR 118           H        TYR 118  -1.370   8.248  -4.321
  857    HA   TYR 118           HA       TYR 118  -1.062   8.769  -1.416
  858   1HB   TYR 118          1HB       TYR 118  -3.582   7.460  -2.437
  859   2HB   TYR 118          2HB       TYR 118  -3.299   8.137  -0.833
  860    HD1  TYR 118           HD2      TYR 118  -2.859  10.718  -0.741
  861    HD2  TYR 118           HD1      TYR 118  -4.626   8.666  -4.071
  862    HE1  TYR 118           HE2      TYR 118  -3.830  12.845  -1.544
  863    HE2  TYR 118           HE1      TYR 118  -5.591  10.782  -4.872
  864    HH   TYR 118           HH       TYR 118  -4.611  13.805  -3.734
  865    H    TRP 119           H        TRP 119   0.377   7.081  -0.936
  866    HA   TRP 119           HA       TRP 119  -0.282   4.455  -2.120
  867   1HB   TRP 119          1HB       TRP 119   2.145   3.901  -1.902
  868   2HB   TRP 119          2HB       TRP 119   1.752   5.119  -3.101
  869    HD1  TRP 119           HD1      TRP 119   3.052   7.289  -2.931
  870    HE1  TRP 119           HE1      TRP 119   4.631   8.358  -1.192
  871    HE3  TRP 119           HE3      TRP 119   2.423   4.012   0.750
  872    HZ2  TRP 119           HZ2      TRP 119   5.539   7.794   1.487
  873    HZ3  TRP 119           HZ3      TRP 119   3.687   4.198   2.907
  874    HH2  TRP 119           HH2      TRP 119   5.213   6.106   3.282
  875    H    VAL 120           H        VAL 120  -0.241   2.610  -0.908
  876    HA   VAL 120           HA       VAL 120  -0.009   3.056   2.035
  877    HB   VAL 120           HB       VAL 120  -1.837   1.035   0.690
  878   1HG1  VAL 120          2HG1      VAL 120  -1.110   1.772   3.444
  879   2HG1  VAL 120          1HG1      VAL 120  -2.850   1.707   3.161
  880   3HG1  VAL 120          3HG1      VAL 120  -1.847   0.293   2.833
  881   1HG2  VAL 120          1HG2      VAL 120  -2.097   3.880   0.793
  882   2HG2  VAL 120          3HG2      VAL 120  -3.289   2.700   0.247
  883   3HG2  VAL 120          2HG2      VAL 120  -3.250   3.195   1.939
  884    H    PHE 121           H        PHE 121   1.756   2.019   2.759
  885    HA   PHE 121           HA       PHE 121   2.748  -0.407   1.387
  886   1HB   PHE 121          1HB       PHE 121   4.012   1.142   3.685
  887   2HB   PHE 121          2HB       PHE 121   4.781  -0.135   2.746
  888    HD1  PHE 121           HD1      PHE 121   3.189   1.053   0.137
  889    HD2  PHE 121           HD2      PHE 121   5.972   2.595   3.018
  890    HE1  PHE 121           HE1      PHE 121   3.959   2.732  -1.512
  891    HE2  PHE 121           HE2      PHE 121   6.718   4.296   1.364
  892    HZ   PHE 121           HZ       PHE 121   5.728   4.347  -0.898
  893    H    VAL 122           H        VAL 122   2.153  -2.355   2.193
  894    HA   VAL 122           HA       VAL 122   1.298  -2.390   5.035
  895    HB   VAL 122           HB       VAL 122   0.318  -3.768   2.591
  896   1HG1  VAL 122          1HG1      VAL 122   0.847  -5.254   5.144
  897   2HG1  VAL 122          3HG1      VAL 122  -0.634  -5.598   4.256
  898   3HG1  VAL 122          2HG1      VAL 122   0.934  -5.834   3.484
  899   1HG2  VAL 122          3HG2      VAL 122  -0.628  -2.299   4.880
  900   2HG2  VAL 122          2HG2      VAL 122  -1.474  -2.689   3.385
  901   3HG2  VAL 122          1HG2      VAL 122  -1.507  -3.818   4.738
  902    H    LYS 123           H        LYS 123   2.811  -3.047   6.281
  903    HA   LYS 123           HA       LYS 123   4.968  -4.838   5.358
  904   1HB   LYS 123          1HB       LYS 123   5.161  -2.708   6.912
  905   2HB   LYS 123          2HB       LYS 123   4.680  -3.836   8.179
  906   1HG   LYS 123          1HG       LYS 123   7.102  -3.783   8.076
  907   2HG   LYS 123          2HG       LYS 123   6.551  -5.343   7.467
  908   1HD   LYS 123          1HD       LYS 123   7.167  -4.871   5.300
  909   2HD   LYS 123          2HD       LYS 123   6.874  -3.145   5.482
  910   1HE   LYS 123          1HE       LYS 123   9.276  -3.540   5.289
  911   2HE   LYS 123          2HE       LYS 123   8.902  -2.976   6.917
  912   1HZ   LYS 123          3HZ       LYS 123   8.739  -5.828   6.652
  913   2HZ   LYS 123          2HZ       LYS 123  10.287  -5.226   6.300
  914   3HZ   LYS 123          1HZ       LYS 123   9.563  -4.892   7.799
  915    H    ARG 124           H        ARG 124   4.792  -7.034   5.688
  916    HA   ARG 124           HA       ARG 124   2.453  -8.043   7.096
  917   1HB   ARG 124          1HB       ARG 124   3.292  -9.281   5.169
  918   2HB   ARG 124          2HB       ARG 124   4.875  -9.465   5.917
  919   1HG   ARG 124          1HG       ARG 124   4.151 -11.102   7.374
  920   2HG   ARG 124          2HG       ARG 124   2.508 -10.467   7.437
  921   1HD   ARG 124          1HD       ARG 124   2.175 -11.245   5.078
  922   2HD   ARG 124          2HD       ARG 124   3.768 -11.999   5.146
  923    HE   ARG 124           HE       ARG 124   2.466 -13.049   7.346
  924   1HH1  ARG 124          1HH2      ARG 124  -0.073 -12.627   5.817
  925   2HH1  ARG 124          2HH2      ARG 124  -0.215 -14.107   4.929
  926   1HH2  ARG 124          2HH1      ARG 124   3.096 -15.020   5.408
  927   2HH2  ARG 124          1HH1      ARG 124   1.579 -15.462   4.698
  928    H    VAL 125           H        VAL 125   2.281  -8.398   9.175
  929    HA   VAL 125           HA       VAL 125   4.549  -8.061  10.972
  930    HB   VAL 125           HB       VAL 125   1.708  -8.924  11.595
  931   1HG1  VAL 125          1HG1      VAL 125   3.630  -9.150  13.303
  932   2HG1  VAL 125          3HG1      VAL 125   3.605  -7.387  13.345
  933   3HG1  VAL 125          2HG1      VAL 125   2.168  -8.300  13.807
  934   1HG2  VAL 125          1HG2      VAL 125   2.648  -6.466  10.516
  935   2HG2  VAL 125          3HG2      VAL 125   1.037  -6.830  11.134
  936   3HG2  VAL 125          2HG2      VAL 125   2.267  -6.176  12.214
  937    H2   HC4  69           H2       HC4  69  -7.042  -4.723   2.734
  938    H3   HC4  69           H3       HC4  69  -8.247  -7.349   1.769
  939    H2'  HC4  69           H2'      HC4  69  -6.757  -8.586   0.251
  940    H3'  HC4  69           H3'      HC4  69  -4.633  -8.812  -1.009
  941    H5'  HC4  69           H5'      HC4  69  -3.334  -4.964   0.460
  942    H6'  HC4  69           H6'      HC4  69  -5.458  -4.754   1.720
   
  No H/Q in entry =         942
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1  20.018   3.752  15.880
    2   2H    MET   1           H3       MET   1  19.415   3.414  17.429
    3   3H    MET   1           H2       MET   1  19.263   2.262  16.188
    4    HA   MET   1           HA       MET   1  17.161   3.142  16.201
    5   1HB   MET   1          1HB       MET   1  18.573   5.381  17.411
    6   2HB   MET   1          2HB       MET   1  17.399   5.934  16.217
    7   1HG   MET   1          2HG       MET   1  15.630   5.288  17.484
    8   2HG   MET   1          1HG       MET   1  16.405   3.774  17.953
    9   1HE   MET   1          3HE       MET   1  16.055   3.363  19.851
   10   2HE   MET   1          2HE       MET   1  17.430   3.693  20.903
   11   3HE   MET   1          1HE       MET   1  15.861   4.408  21.266
   12    H    GLU   2           H        GLU   2  16.610   2.865  14.089
   13    HA   GLU   2           HA       GLU   2  17.926   4.633  12.067
   14   1HB   GLU   2          1HB       GLU   2  18.340   2.169  11.812
   15   2HB   GLU   2          2HB       GLU   2  16.603   1.945  11.595
   16   1HG   GLU   2          1HG       GLU   2  16.630   3.412   9.633
   17   2HG   GLU   2          2HG       GLU   2  18.350   3.722   9.867
   18    H    HIS   3           H        HIS   3  16.423   6.341  12.122
   19    HA   HIS   3           HA       HIS   3  13.569   5.958  12.139
   20   1HB   HIS   3          1HB       HIS   3  14.604   8.094  12.802
   21   2HB   HIS   3          2HB       HIS   3  15.225   8.312  11.166
   22    HD1  HIS   3           HD1      HIS   3  13.683   9.371   9.483
   23    HD2  HIS   3           HD2      HIS   3  11.654   8.149  12.914
   24    HE1  HIS   3           HE1      HIS   3  11.316  10.244   9.263
   25    H    VAL   4           H        VAL   4  12.949   4.506  10.486
   26    HA   VAL   4           HA       VAL   4  13.188   5.616   7.734
   27    HB   VAL   4           HB       VAL   4  14.933   3.831   8.078
   28   1HG1  VAL   4          2HG1      VAL   4  13.115   2.521   9.559
   29   2HG1  VAL   4          1HG1      VAL   4  12.787   1.756   8.003
   30   3HG1  VAL   4          3HG1      VAL   4  14.404   1.674   8.704
   31   1HG2  VAL   4          1HG2      VAL   4  13.380   4.316   5.915
   32   2HG2  VAL   4          3HG2      VAL   4  14.661   3.105   5.917
   33   3HG2  VAL   4          2HG2      VAL   4  12.986   2.616   6.182
   34    H    ALA   5           H        ALA   5  10.861   6.025   9.031
   35    HA   ALA   5           HA       ALA   5   8.538   5.594   8.846
   36   1HB   ALA   5          2HB       ALA   5   9.686   4.852   6.410
   37   2HB   ALA   5          1HB       ALA   5   8.781   3.424   6.896
   38   3HB   ALA   5          3HB       ALA   5   7.957   4.969   6.728
   39    H    PHE   6           H        PHE   6   7.395   2.951   8.155
   40    HA   PHE   6           HA       PHE   6   7.972   1.597  10.709
   41   1HB   PHE   6          1HB       PHE   6   6.063   0.216  10.255
   42   2HB   PHE   6          2HB       PHE   6   5.627   1.881   9.922
   43    HD1  PHE   6           HD2      PHE   6   7.563   1.234   7.117
   44    HD2  PHE   6           HD1      PHE   6   3.877  -0.047   8.913
   45    HE1  PHE   6           HE2      PHE   6   6.719   0.552   4.910
   46    HE2  PHE   6           HE1      PHE   6   3.057  -0.722   6.684
   47    HZ   PHE   6           HZ       PHE   6   4.454  -0.435   4.710
   48    H    GLY   7           H        GLY   7   9.635   1.721   8.038
   49   1HA   GLY   7          1HA       GLY   7  11.497  -0.033   8.056
   50   2HA   GLY   7          2HA       GLY   7  10.195  -1.176   7.750
   51    H    SER   8           H        SER   8  10.048   2.050   6.365
   52    HA   SER   8           HA       SER   8  10.397   0.838   3.690
   53   1HB   SER   8          1HB       SER   8   9.400   3.499   3.503
   54   2HB   SER   8          2HB       SER   8   8.576   1.998   3.102
   55    HG   SER   8           HG       SER   8   8.095   1.833   5.374
   56    H    GLU   9           H        GLU   9  12.194   1.273   2.603
   57    HA   GLU   9           HA       GLU   9  14.140   3.218   3.587
   58   1HB   GLU   9          1HB       GLU   9  14.040   0.973   1.727
   59   2HB   GLU   9          2HB       GLU   9  14.927   2.333   1.044
   60   1HG   GLU   9          1HG       GLU   9  15.619   1.926   3.844
   61   2HG   GLU   9          2HG       GLU   9  15.918   0.473   2.888
   62    H    ASP  10           H        ASP  10  12.452   5.085   3.203
   63    HA   ASP  10           HA       ASP  10  11.625   6.850   1.869
   64   1HB   ASP  10          1HB       ASP  10  14.413   6.296   0.884
   65   2HB   ASP  10          2HB       ASP  10  13.418   7.477   0.032
   66    H    ILE  11           H        ILE  11  10.422   4.532   1.185
   67    HA   ILE  11           HA       ILE  11  10.713   3.437  -1.340
   68    HB   ILE  11           HB       ILE  11   8.002   4.073  -0.444
   69   1HG1  ILE  11          1HG1      ILE  11   8.934   3.529   1.674
   70   2HG1  ILE  11          2HG1      ILE  11   8.069   2.111   1.108
   71   1HG2  ILE  11          2HG2      ILE  11   8.857   2.590  -2.423
   72   2HG2  ILE  11          1HG2      ILE  11   8.949   1.375  -1.152
   73   3HG2  ILE  11          3HG2      ILE  11   7.410   2.156  -1.510
   74   1HD1  ILE  11          2HD1      ILE  11  10.371   1.421   0.095
   75   2HD1  ILE  11          1HD1      ILE  11  11.022   2.564   1.272
   76   3HD1  ILE  11          3HD1      ILE  11  10.063   1.189   1.817
   77    H    GLU  12           H        GLU  12   8.680   6.213  -0.479
   78    HA   GLU  12           HA       GLU  12   7.447   6.884  -2.754
   79   1HB   GLU  12          1HB       GLU  12   7.474   8.313  -0.738
   80   2HB   GLU  12          2HB       GLU  12   9.086   8.885  -1.173
   81   1HG   GLU  12          1HG       GLU  12   7.786   9.369  -3.499
   82   2HG   GLU  12          2HG       GLU  12   6.453   9.568  -2.360
   83    H    ASN  13           H        ASN  13  10.963   7.444  -2.360
   84    HA   ASN  13           HA       ASN  13  11.185   8.619  -5.028
   85   1HB   ASN  13          1HB       ASN  13  12.813   8.537  -2.776
   86   2HB   ASN  13          2HB       ASN  13  13.648   7.489  -3.923
   87   1HD2  ASN  13          2HD2      ASN  13  14.215  10.154  -6.293
   88   2HD2  ASN  13          1HD2      ASN  13  13.921   8.484  -6.207
   89    H    THR  14           H        THR  14  11.869   5.468  -3.568
   90    HA   THR  14           HA       THR  14  12.969   4.178  -5.850
   91    HB   THR  14           HB       THR  14  11.680   3.343  -3.261
   92    HG1  THR  14           HG1      THR  14  13.887   3.816  -3.445
   93   1HG2  THR  14          3HG2      THR  14  11.177   1.686  -5.474
   94   2HG2  THR  14          2HG2      THR  14  12.619   0.996  -4.747
   95   3HG2  THR  14          1HG2      THR  14  11.159   1.199  -3.784
   96    H    LEU  15           H        LEU  15   9.686   4.957  -5.039
   97    HA   LEU  15           HA       LEU  15   8.685   3.173  -7.172
   98   1HB   LEU  15          1HB       LEU  15   6.915   4.954  -5.509
   99   2HB   LEU  15          2HB       LEU  15   6.562   3.371  -6.197
  100    HG   LEU  15           HG       LEU  15   8.569   3.815  -3.991
  101   1HD1  LEU  15          1HD1      LEU  15   5.773   4.003  -3.785
  102   2HD1  LEU  15          3HD1      LEU  15   6.210   2.416  -3.149
  103   3HD1  LEU  15          2HD1      LEU  15   6.945   3.868  -2.478
  104   1HD2  LEU  15          2HD2      LEU  15   8.055   1.637  -5.685
  105   2HD2  LEU  15          1HD2      LEU  15   9.057   1.648  -4.233
  106   3HD2  LEU  15          3HD2      LEU  15   7.346   1.222  -4.118
  107    H    ALA  16           H        ALA  16   9.533   6.467  -6.662
  108    HA   ALA  16           HA       ALA  16   7.830   7.369  -8.912
  109   1HB   ALA  16          2HB       ALA  16   8.816   8.618  -6.576
  110   2HB   ALA  16          1HB       ALA  16   9.624   9.400  -7.933
  111   3HB   ALA  16          3HB       ALA  16   7.863   9.354  -7.861
  112    H    LYS  17           H        LYS  17  11.010   6.175  -8.392
  113    HA   LYS  17           HA       LYS  17  11.755   7.234 -11.090
  114   1HB   LYS  17          1HB       LYS  17  13.099   7.673  -8.543
  115   2HB   LYS  17          2HB       LYS  17  14.167   6.897  -9.712
  116   1HG   LYS  17          1HG       LYS  17  14.495   8.967 -10.559
  117   2HG   LYS  17          2HG       LYS  17  12.875   8.813 -11.237
  118   1HD   LYS  17          1HD       LYS  17  12.120   9.639  -8.845
  119   2HD   LYS  17          2HD       LYS  17  13.764  10.274  -8.771
  120   1HE   LYS  17          1HE       LYS  17  13.400  11.508 -10.865
  121   2HE   LYS  17          2HE       LYS  17  11.770  10.848 -10.983
  122   1HZ   LYS  17          1HZ       LYS  17  12.564  12.263  -8.536
  123   2HZ   LYS  17          3HZ       LYS  17  12.173  13.170  -9.916
  124   3HZ   LYS  17          2HZ       LYS  17  11.027  12.110  -9.244
  125    H    MET  18           H        MET  18  10.685   4.883 -11.257
  126    HA   MET  18           HA       MET  18  12.955   3.050 -11.642
  127   1HB   MET  18          1HB       MET  18  11.190   2.863  -9.404
  128   2HB   MET  18          2HB       MET  18  10.872   1.494 -10.471
  129   1HG   MET  18          2HG       MET  18  12.638   0.648  -9.274
  130   2HG   MET  18          1HG       MET  18  13.524   1.415 -10.567
  131   1HE   MET  18          2HE       MET  18  12.203   1.396  -7.119
  132   2HE   MET  18          1HE       MET  18  13.851   0.812  -6.965
  133   3HE   MET  18          3HE       MET  18  13.370   2.313  -6.174
  134    H    ASP  19           H        ASP  19  11.375   0.748 -12.177
  135    HA   ASP  19           HA       ASP  19   9.652   1.688 -14.435
  136   1HB   ASP  19          1HB       ASP  19  12.107   0.094 -14.508
  137   2HB   ASP  19          2HB       ASP  19  10.755  -0.693 -15.325
  138    H    ASP  20           H        ASP  20  10.599  -1.543 -13.228
  139    HA   ASP  20           HA       ASP  20   8.075  -2.072 -11.950
  140   1HB   ASP  20          1HB       ASP  20   7.598  -2.045 -14.538
  141   2HB   ASP  20          2HB       ASP  20   8.389  -3.622 -14.513
  142    H    GLY  21           H        GLY  21   9.131  -3.110 -10.362
  143   1HA   GLY  21          1HA       GLY  21   9.697  -5.539  -9.797
  144   2HA   GLY  21          2HA       GLY  21  10.907  -5.407 -11.077
  145    H    GLN  22           H        GLN  22  10.020  -2.964  -8.699
  146    HA   GLN  22           HA       GLN  22  12.773  -3.157  -7.567
  147   1HB   GLN  22          1HB       GLN  22  12.583  -0.673  -7.204
  148   2HB   GLN  22          2HB       GLN  22  12.716  -1.182  -8.883
  149   1HG   GLN  22          1HG       GLN  22  10.006  -0.770  -7.631
  150   2HG   GLN  22          2HG       GLN  22  10.910   0.592  -8.263
  151   1HE2  GLN  22          2HE2      GLN  22   8.912  -0.521 -11.122
  152   2HE2  GLN  22          1HE2      GLN  22   8.677   0.291  -9.651
  153    H    LEU  23           H        LEU  23   9.376  -2.377  -7.025
  154    HA   LEU  23           HA       LEU  23   9.851  -2.438  -4.090
  155   1HB   LEU  23          1HB       LEU  23   7.660  -1.359  -3.899
  156   2HB   LEU  23          2HB       LEU  23   8.671  -0.453  -5.023
  157    HG   LEU  23           HG       LEU  23   7.463  -2.269  -6.697
  158   1HD1  LEU  23          2HD1      LEU  23   5.854  -2.024  -4.277
  159   2HD1  LEU  23          1HD1      LEU  23   4.967  -1.510  -5.712
  160   3HD1  LEU  23          3HD1      LEU  23   5.664  -3.128  -5.638
  161   1HD2  LEU  23          1HD2      LEU  23   6.461   0.486  -5.906
  162   2HD2  LEU  23          3HD2      LEU  23   7.740   0.157  -7.075
  163   3HD2  LEU  23          2HD2      LEU  23   6.083  -0.348  -7.415
  164    H    ASP  24           H        ASP  24   9.792  -4.838  -5.823
  165    HA   ASP  24           HA       ASP  24   7.297  -6.097  -4.760
  166   1HB   ASP  24          1HB       ASP  24   7.502  -7.721  -6.602
  167   2HB   ASP  24          2HB       ASP  24   7.446  -6.074  -7.234
  168    H    GLY  25           H        GLY  25  10.725  -6.079  -4.585
  169   1HA   GLY  25          1HA       GLY  25  10.786  -8.825  -3.443
  170   2HA   GLY  25          2HA       GLY  25  12.203  -7.890  -3.921
  171    H    LEU  26           H        LEU  26   9.567  -6.528  -2.021
  172    HA   LEU  26           HA       LEU  26  11.495  -6.149   0.201
  173   1HB   LEU  26          1HB       LEU  26   8.816  -4.783   0.039
  174   2HB   LEU  26          2HB       LEU  26  10.288  -4.234   0.826
  175    HG   LEU  26           HG       LEU  26  10.485  -4.563  -2.117
  176   1HD1  LEU  26          1HD1      LEU  26   8.549  -2.702  -0.779
  177   2HD1  LEU  26          3HD1      LEU  26   9.411  -2.157  -2.218
  178   3HD1  LEU  26          2HD1      LEU  26   8.378  -3.583  -2.297
  179   1HD2  LEU  26          1HD2      LEU  26  11.625  -2.993   0.077
  180   2HD2  LEU  26          3HD2      LEU  26  12.328  -3.403  -1.488
  181   3HD2  LEU  26          2HD2      LEU  26  11.256  -2.011  -1.340
  182    H    ALA  27           H        ALA  27  10.283  -6.072   2.369
  183    HA   ALA  27           HA       ALA  27   8.625  -8.536   2.606
  184   1HB   ALA  27          1HB       ALA  27  10.785  -8.007   4.025
  185   2HB   ALA  27          3HB       ALA  27   9.687  -6.991   4.960
  186   3HB   ALA  27          2HB       ALA  27   9.379  -8.722   4.817
  187    H    PHE  28           H        PHE  28   7.826  -5.732   1.735
  188    HA   PHE  28           HA       PHE  28   5.333  -5.655   3.162
  189   1HB   PHE  28          1HB       PHE  28   5.537  -3.267   3.891
  190   2HB   PHE  28          2HB       PHE  28   6.553  -4.371   4.793
  191    HD1  PHE  28           HD2      PHE  28   8.903  -4.657   2.838
  192    HD2  PHE  28           HD1      PHE  28   6.652  -1.224   4.115
  193    HE1  PHE  28           HE2      PHE  28  10.843  -3.217   2.367
  194    HE2  PHE  28           HE1      PHE  28   8.606   0.199   3.649
  195    HZ   PHE  28           HZ       PHE  28  10.711  -0.778   2.773
  196    H    GLY  29           H        GLY  29   4.047  -5.481   1.559
  197   1HA   GLY  29          1HA       GLY  29   4.537  -4.821  -1.067
  198   2HA   GLY  29          2HA       GLY  29   2.965  -4.636  -0.320
  199    H    ALA  30           H        ALA  30   4.506  -2.961  -2.343
  200    HA   ALA  30           HA       ALA  30   4.132  -0.390  -0.862
  201   1HB   ALA  30          2HB       ALA  30   6.502  -1.305  -2.295
  202   2HB   ALA  30          1HB       ALA  30   5.872   0.188  -2.992
  203   3HB   ALA  30          3HB       ALA  30   6.300   0.125  -1.281
  204    H    ILE  31           H        ILE  31   2.008  -0.191  -1.622
  205    HA   ILE  31           HA       ILE  31   1.574  -0.353  -4.550
  206    HB   ILE  31           HB       ILE  31  -0.724  -0.626  -4.092
  207   1HG1  ILE  31          1HG1      ILE  31  -1.466  -0.311  -1.573
  208   2HG1  ILE  31          2HG1      ILE  31  -0.087   0.787  -1.521
  209   1HG2  ILE  31          2HG2      ILE  31   0.657  -2.514  -3.346
  210   2HG2  ILE  31          1HG2      ILE  31   0.762  -1.811  -1.737
  211   3HG2  ILE  31          3HG2      ILE  31  -0.793  -2.357  -2.359
  212   1HD1  ILE  31          3HD1      ILE  31  -1.624   1.245  -3.926
  213   2HD1  ILE  31          2HD1      ILE  31  -2.671   1.346  -2.512
  214   3HD1  ILE  31          1HD1      ILE  31  -1.244   2.376  -2.628
  215    H    GLN  32           H        GLN  32   0.069   1.308  -5.498
  216    HA   GLN  32           HA       GLN  32   0.436   3.997  -4.265
  217   1HB   GLN  32          1HB       GLN  32   1.739   3.039  -6.612
  218   2HB   GLN  32          2HB       GLN  32   0.526   4.210  -7.123
  219   1HG   GLN  32          1HG       GLN  32   1.408   5.793  -5.384
  220   2HG   GLN  32          2HG       GLN  32   2.704   4.641  -5.063
  221   1HE2  GLN  32          2HE2      GLN  32   3.877   5.101  -8.601
  222   2HE2  GLN  32          1HE2      GLN  32   3.261   3.784  -7.726
  223    H    LEU  33           H        LEU  33  -1.137   5.603  -5.332
  224    HA   LEU  33           HA       LEU  33  -3.472   4.304  -6.599
  225   1HB   LEU  33          1HB       LEU  33  -3.451   5.538  -3.856
  226   2HB   LEU  33          2HB       LEU  33  -4.905   5.646  -4.849
  227    HG   LEU  33           HG       LEU  33  -3.460   3.051  -4.241
  228   1HD1  LEU  33          3HD1      LEU  33  -4.856   4.540  -2.415
  229   2HD1  LEU  33          2HD1      LEU  33  -6.143   3.553  -3.109
  230   3HD1  LEU  33          1HD1      LEU  33  -4.739   2.781  -2.373
  231   1HD2  LEU  33          3HD2      LEU  33  -5.507   3.830  -6.106
  232   2HD2  LEU  33          2HD2      LEU  33  -4.802   2.234  -5.859
  233   3HD2  LEU  33          1HD2      LEU  33  -6.205   2.734  -4.916
  234    H    ASP  34           H        ASP  34  -4.782   5.819  -7.741
  235    HA   ASP  34           HA       ASP  34  -3.668   8.589  -7.824
  236   1HB   ASP  34          1HB       ASP  34  -4.487   8.685 -10.178
  237   2HB   ASP  34          2HB       ASP  34  -3.269   7.432  -9.940
  238    H    GLY  35           H        GLY  35  -5.014  10.200  -7.431
  239   1HA   GLY  35          1HA       GLY  35  -7.089  10.613  -5.998
  240   2HA   GLY  35          2HA       GLY  35  -7.119  11.407  -7.566
  241    H    ASP  36           H        ASP  36  -8.063   8.450  -5.932
  242    HA   ASP  36           HA       ASP  36 -10.763   8.384  -6.502
  243   1HB   ASP  36          1HB       ASP  36  -9.188   7.823  -8.919
  244   2HB   ASP  36          2HB       ASP  36 -10.341   6.545  -8.533
  245    H    GLY  37           H        GLY  37  -7.766   6.655  -6.240
  246   1HA   GLY  37          1HA       GLY  37  -7.466   4.934  -4.567
  247   2HA   GLY  37          2HA       GLY  37  -9.175   4.522  -4.737
  248    H    ASN  38           H        ASN  38  -7.406   5.202  -7.643
  249    HA   ASN  38           HA       ASN  38  -7.747   2.370  -8.459
  250   1HB   ASN  38          1HB       ASN  38  -6.750   4.796  -9.982
  251   2HB   ASN  38          2HB       ASN  38  -6.951   3.193 -10.682
  252   1HD2  ASN  38          2HD2      ASN  38 -10.508   3.393 -10.804
  253   2HD2  ASN  38          1HD2      ASN  38  -9.179   2.337 -10.839
  254    H    ILE  39           H        ILE  39  -6.067   0.929  -8.521
  255    HA   ILE  39           HA       ILE  39  -3.587   1.650  -7.263
  256    HB   ILE  39           HB       ILE  39  -4.916  -0.755  -7.972
  257   1HG1  ILE  39          1HG1      ILE  39  -2.954  -1.714  -6.592
  258   2HG1  ILE  39          2HG1      ILE  39  -2.395  -0.044  -6.481
  259   1HG2  ILE  39          1HG2      ILE  39  -3.355  -0.665 -10.028
  260   2HG2  ILE  39          3HG2      ILE  39  -2.050  -0.967  -8.881
  261   3HG2  ILE  39          2HG2      ILE  39  -3.354  -2.140  -9.065
  262   1HD1  ILE  39          1HD1      ILE  39  -5.266  -0.515  -5.878
  263   2HD1  ILE  39          3HD1      ILE  39  -4.106  -1.129  -4.700
  264   3HD1  ILE  39          2HD1      ILE  39  -4.118   0.585  -5.112
  265    H    LEU  40           H        LEU  40  -1.635   2.136  -8.056
  266    HA   LEU  40           HA       LEU  40  -1.409   2.624 -10.989
  267   1HB   LEU  40          1HB       LEU  40   0.665   3.466  -8.971
  268   2HB   LEU  40          2HB       LEU  40   0.241   4.226 -10.503
  269    HG   LEU  40           HG       LEU  40  -1.462   4.231  -7.984
  270   1HD1  LEU  40          3HD1      LEU  40   0.706   5.729  -8.347
  271   2HD1  LEU  40          2HD1      LEU  40  -0.400   6.675  -9.341
  272   3HD1  LEU  40          1HD1      LEU  40  -0.759   6.406  -7.635
  273   1HD2  LEU  40          2HD2      LEU  40  -2.619   4.177 -10.301
  274   2HD2  LEU  40          1HD2      LEU  40  -3.074   5.464  -9.182
  275   3HD2  LEU  40          3HD2      LEU  40  -1.961   5.801 -10.510
  276    H    GLN  41           H        GLN  41  -0.155   0.907  -8.229
  277    HA   GLN  41           HA       GLN  41   0.968  -1.210  -9.847
  278   1HB   GLN  41          1HB       GLN  41   3.276  -0.823  -8.488
  279   2HB   GLN  41          2HB       GLN  41   3.023  -0.237 -10.125
  280   1HG   GLN  41          1HG       GLN  41   3.688   1.752  -9.229
  281   2HG   GLN  41          2HG       GLN  41   2.020   1.863  -8.688
  282   1HE2  GLN  41          2HE2      GLN  41   2.858   0.866  -5.306
  283   2HE2  GLN  41          1HE2      GLN  41   1.646   0.649  -6.468
  284    H    TYR  42           H        TYR  42   2.295  -2.712  -8.079
  285    HA   TYR  42           HA       TYR  42   0.868  -2.473  -5.484
  286   1HB   TYR  42          1HB       TYR  42  -0.464  -3.924  -7.067
  287   2HB   TYR  42          2HB       TYR  42   0.862  -5.075  -7.047
  288    HD1  TYR  42           HD1      TYR  42  -1.060  -3.018  -4.582
  289    HD2  TYR  42           HD2      TYR  42   0.619  -6.855  -5.517
  290    HE1  TYR  42           HE1      TYR  42  -1.902  -3.914  -2.433
  291    HE2  TYR  42           HE2      TYR  42  -0.242  -7.751  -3.367
  292    HH   TYR  42           HH       TYR  42  -1.391  -7.295  -1.492
  293    H    ASN  43           H        ASN  43   2.486  -5.457  -6.411
  294    HA   ASN  43           HA       ASN  43   5.127  -5.281  -5.884
  295   1HB   ASN  43          1HB       ASN  43   4.950  -3.960  -3.923
  296   2HB   ASN  43          2HB       ASN  43   3.627  -4.912  -3.292
  297   1HD2  ASN  43          2HD2      ASN  43   7.053  -5.645  -1.726
  298   2HD2  ASN  43          1HD2      ASN  43   6.403  -4.174  -2.221
  299    H    ALA  44           H        ALA  44   6.024  -7.340  -5.411
  300    HA   ALA  44           HA       ALA  44   4.231  -9.567  -5.933
  301   1HB   ALA  44          1HB       ALA  44   7.181  -9.477  -5.241
  302   2HB   ALA  44          3HB       ALA  44   6.315 -10.947  -5.688
  303   3HB   ALA  44          2HB       ALA  44   6.476  -9.631  -6.851
  304    H    ALA  45           H        ALA  45   6.450  -8.912  -3.205
  305    HA   ALA  45           HA       ALA  45   5.854 -10.889  -1.418
  306   1HB   ALA  45          3HB       ALA  45   6.638  -8.076  -1.198
  307   2HB   ALA  45          2HB       ALA  45   5.762  -8.645   0.223
  308   3HB   ALA  45          1HB       ALA  45   7.229  -9.474  -0.299
  309    H    GLU  46           H        GLU  46   3.954  -7.859  -1.444
  310    HA   GLU  46           HA       GLU  46   1.957  -8.844   0.340
  311   1HB   GLU  46          1HB       GLU  46   0.531  -6.974  -0.745
  312   2HB   GLU  46          2HB       GLU  46   1.993  -6.518   0.100
  313   1HG   GLU  46          1HG       GLU  46   3.210  -6.244  -1.953
  314   2HG   GLU  46          2HG       GLU  46   1.884  -6.938  -2.883
  315    HE1  GLU  46           HE1      GLU  46   1.240  -3.534  -0.921
  316    H    GLY  47           H        GLY  47   2.085  -8.716  -3.163
  317   1HA   GLY  47          1HA       GLY  47  -0.527  -9.783  -3.644
  318   2HA   GLY  47          2HA       GLY  47   0.816  -9.841  -4.791
  319    H    ASP  48           H        ASP  48   2.299 -11.291  -2.389
  320    HA   ASP  48           HA       ASP  48   1.487 -13.975  -3.321
  321   1HB   ASP  48          1HB       ASP  48   3.933 -12.813  -2.537
  322   2HB   ASP  48          2HB       ASP  48   3.539 -13.987  -1.280
  323    H    ILE  49           H        ILE  49   1.196 -11.905  -0.537
  324    HA   ILE  49           HA       ILE  49   0.454 -14.050   1.271
  325    HB   ILE  49           HB       ILE  49   0.983 -11.217   1.388
  326   1HG1  ILE  49          1HG1      ILE  49   1.699 -11.814   3.668
  327   2HG1  ILE  49          2HG1      ILE  49   0.955 -13.401   3.475
  328   1HG2  ILE  49          2HG2      ILE  49  -1.394 -12.262   2.910
  329   2HG2  ILE  49          1HG2      ILE  49  -0.450 -10.885   3.479
  330   3HG2  ILE  49          3HG2      ILE  49  -1.286 -10.801   1.929
  331   1HD1  ILE  49          1HD1      ILE  49   3.143 -12.310   1.682
  332   2HD1  ILE  49          3HD1      ILE  49   3.416 -13.420   3.024
  333   3HD1  ILE  49          2HD1      ILE  49   2.459 -13.934   1.636
  334    H    THR  50           H        THR  50  -1.253 -11.458  -0.477
  335    HA   THR  50           HA       THR  50  -3.832 -12.806   0.154
  336    HB   THR  50           HB       THR  50  -4.927 -10.790  -0.341
  337    HG1  THR  50           HG1      THR  50  -2.633  -9.674  -1.512
  338   1HG2  THR  50          2HG2      THR  50  -3.216 -10.716   1.613
  339   2HG2  THR  50          1HG2      THR  50  -2.285  -9.661   0.550
  340   3HG2  THR  50          3HG2      THR  50  -3.911  -9.197   1.050
  341    H    GLY  51           H        GLY  51  -1.536 -12.749  -2.320
  342   1HA   GLY  51          1HA       GLY  51  -1.681 -13.916  -4.379
  343   2HA   GLY  51          2HA       GLY  51  -3.420 -14.035  -4.147
  344    H    ARG  52           H        ARG  52  -2.881 -10.895  -3.515
  345    HA   ARG  52           HA       ARG  52  -4.085  -9.859  -5.826
  346   1HB   ARG  52          1HB       ARG  52  -2.616  -8.779  -3.531
  347   2HB   ARG  52          2HB       ARG  52  -2.480  -7.785  -4.977
  348   1HG   ARG  52          1HG       ARG  52  -5.182  -8.524  -4.882
  349   2HG   ARG  52          2HG       ARG  52  -4.761  -8.141  -3.219
  350   1HD   ARG  52          1HD       ARG  52  -3.556  -6.209  -4.947
  351   2HD   ARG  52          2HD       ARG  52  -5.262  -6.346  -5.328
  352    HE   ARG  52           HE       ARG  52  -5.522  -6.030  -2.724
  353   1HH1  ARG  52          2HH1      ARG  52  -3.977  -4.198  -5.118
  354   2HH1  ARG  52          1HH1      ARG  52  -3.376  -2.988  -4.035
  355   1HH2  ARG  52          1HH2      ARG  52  -4.388  -4.658  -1.181
  356   2HH2  ARG  52          2HH2      ARG  52  -3.610  -3.251  -1.809
  357    H    ASP  53           H        ASP  53  -3.342  -9.952  -7.869
  358    HA   ASP  53           HA       ASP  53  -0.422  -9.984  -8.382
  359   1HB   ASP  53          1HB       ASP  53  -2.885 -10.537 -10.028
  360   2HB   ASP  53          2HB       ASP  53  -1.369 -10.137 -10.840
  361    HA   PRO  54           HA       PRO  54  -0.449  -5.695  -9.370
  362   1HB   PRO  54          1HB       PRO  54   1.582  -5.570 -11.221
  363   2HB   PRO  54          2HB       PRO  54   1.850  -5.781  -9.482
  364   1HG   PRO  54          1HG       PRO  54   2.077  -7.792 -11.672
  365   2HG   PRO  54          2HG       PRO  54   2.891  -7.748 -10.100
  366   1HD   PRO  54          1HD       PRO  54   0.664  -9.365 -10.771
  367   2HD   PRO  54          2HD       PRO  54   1.284  -9.067  -9.133
  368    H    LYS  55           H        LYS  55  -0.066  -7.639 -12.367
  369    HA   LYS  55           HA       LYS  55  -1.219  -5.643 -14.070
  370   1HB   LYS  55          1HB       LYS  55  -1.328  -7.445 -15.749
  371   2HB   LYS  55          2HB       LYS  55   0.228  -7.459 -14.917
  372   1HG   LYS  55          1HG       LYS  55  -1.496  -9.069 -13.363
  373   2HG   LYS  55          2HG       LYS  55  -1.775  -9.537 -15.040
  374   1HD   LYS  55          1HD       LYS  55   0.993  -9.260 -14.881
  375   2HD   LYS  55          2HD       LYS  55   0.556 -10.021 -13.352
  376   1HE   LYS  55          1HE       LYS  55  -0.041 -11.967 -14.356
  377   2HE   LYS  55          2HE       LYS  55  -0.857 -11.136 -15.681
  378   1HZ   LYS  55          2HZ       LYS  55   2.084 -11.120 -15.502
  379   2HZ   LYS  55          1HZ       LYS  55   1.278 -12.461 -16.165
  380   3HZ   LYS  55          3HZ       LYS  55   1.093 -10.929 -16.869
  381    H    GLN  56           H        GLN  56  -2.642  -7.999 -11.957
  382    HA   GLN  56           HA       GLN  56  -5.233  -7.874 -13.364
  383   1HB   GLN  56          1HB       GLN  56  -4.049  -9.829 -11.844
  384   2HB   GLN  56          2HB       GLN  56  -5.163  -9.103 -10.686
  385   1HG   GLN  56          1HG       GLN  56  -6.300 -10.902 -11.886
  386   2HG   GLN  56          2HG       GLN  56  -7.002  -9.350 -12.350
  387   1HE2  GLN  56          2HE2      GLN  56  -4.623 -11.306 -15.087
  388   2HE2  GLN  56          1HE2      GLN  56  -4.374 -11.586 -13.432
  389    H    VAL  57           H        VAL  57  -3.833  -6.812 -10.267
  390    HA   VAL  57           HA       VAL  57  -6.300  -5.503  -9.438
  391    HB   VAL  57           HB       VAL  57  -4.989  -4.624  -7.586
  392   1HG1  VAL  57          1HG1      VAL  57  -4.577  -7.485  -8.402
  393   2HG1  VAL  57          3HG1      VAL  57  -3.880  -6.884  -6.898
  394   3HG1  VAL  57          2HG1      VAL  57  -5.625  -6.827  -7.148
  395   1HG2  VAL  57          1HG2      VAL  57  -2.717  -5.365  -9.396
  396   2HG2  VAL  57          3HG2      VAL  57  -2.919  -3.933  -8.388
  397   3HG2  VAL  57          2HG2      VAL  57  -2.466  -5.472  -7.653
  398    H    ILE  58           H        ILE  58  -4.125  -4.745 -11.837
  399    HA   ILE  58           HA       ILE  58  -3.843  -1.920 -11.352
  400    HB   ILE  58           HB       ILE  58  -3.077  -3.850 -13.430
  401   1HG1  ILE  58          1HG1      ILE  58  -1.995  -1.120 -12.691
  402   2HG1  ILE  58          2HG1      ILE  58  -1.618  -2.605 -11.818
  403   1HG2  ILE  58          2HG2      ILE  58  -4.067  -1.115 -14.281
  404   2HG2  ILE  58          1HG2      ILE  58  -2.812  -1.968 -15.180
  405   3HG2  ILE  58          3HG2      ILE  58  -4.418  -2.678 -15.016
  406   1HD1  ILE  58          2HD1      ILE  58  -1.209  -2.443 -14.799
  407   2HD1  ILE  58          1HD1      ILE  58   0.018  -1.825 -13.693
  408   3HD1  ILE  58          3HD1      ILE  58  -0.443  -3.527 -13.637
  409    H    GLY  59           H        GLY  59  -5.385  -0.440 -11.524
  410   1HA   GLY  59          1HA       GLY  59  -7.218   0.687 -12.614
  411   2HA   GLY  59          2HA       GLY  59  -7.577  -0.803 -13.490
  412    H    LYS  60           H        LYS  60  -7.180  -2.198 -10.725
  413    HA   LYS  60           HA       LYS  60 -10.011  -2.140 -10.018
  414   1HB   LYS  60          1HB       LYS  60  -7.789  -3.528  -8.489
  415   2HB   LYS  60          2HB       LYS  60  -9.500  -3.958  -8.538
  416   1HG   LYS  60          1HG       LYS  60  -7.528  -4.141 -10.840
  417   2HG   LYS  60          2HG       LYS  60  -8.258  -5.491  -9.973
  418   1HD   LYS  60          1HD       LYS  60 -10.526  -4.508 -10.700
  419   2HD   LYS  60          2HD       LYS  60  -9.599  -3.523 -11.832
  420   1HE   LYS  60          1HE       LYS  60  -8.496  -5.864 -12.438
  421   2HE   LYS  60          2HE       LYS  60 -10.018  -6.487 -11.801
  422   1HZ   LYS  60          2HZ       LYS  60 -11.034  -4.666 -13.316
  423   2HZ   LYS  60          1HZ       LYS  60  -9.548  -4.761 -14.134
  424   3HZ   LYS  60          3HZ       LYS  60 -10.529  -6.139 -13.996
  425    H    ASN  61           H        ASN  61 -10.919  -1.059  -8.314
  426    HA   ASN  61           HA       ASN  61  -9.360   0.981  -6.954
  427   1HB   ASN  61          1HB       ASN  61 -12.085   0.512  -7.447
  428   2HB   ASN  61          2HB       ASN  61 -11.915   0.379  -5.697
  429   1HD2  ASN  61          2HD2      ASN  61 -10.860   3.962  -7.439
  430   2HD2  ASN  61          1HD2      ASN  61 -10.645   2.527  -8.318
  431    H    PHE  62           H        PHE  62  -7.828   0.133  -5.571
  432    HA   PHE  62           HA       PHE  62  -8.155  -2.260  -4.047
  433   1HB   PHE  62          1HB       PHE  62  -5.932  -1.625  -4.265
  434   2HB   PHE  62          2HB       PHE  62  -6.272   0.072  -3.937
  435    HD1  PHE  62           HD1      PHE  62  -6.438  -3.282  -2.294
  436    HD2  PHE  62           HD2      PHE  62  -5.813   0.927  -1.792
  437    HE1  PHE  62           HE1      PHE  62  -5.858  -3.657   0.088
  438    HE2  PHE  62           HE2      PHE  62  -5.194   0.560   0.581
  439    HZ   PHE  62           HZ       PHE  62  -5.236  -1.738   1.526
  440    H    PHE  63           H        PHE  63  -9.488   0.858  -3.551
  441    HA   PHE  63           HA       PHE  63  -9.634   0.476  -0.654
  442   1HB   PHE  63          1HB       PHE  63 -10.154   2.693  -2.525
  443   2HB   PHE  63          2HB       PHE  63 -11.240   2.632  -1.133
  444    HD1  PHE  63           HD2      PHE  63 -10.226   2.401   1.193
  445    HD2  PHE  63           HD1      PHE  63  -7.908   3.413  -2.277
  446    HE1  PHE  63           HE2      PHE  63  -8.414   3.250   2.652
  447    HE2  PHE  63           HE1      PHE  63  -6.089   4.257  -0.811
  448    HZ   PHE  63           HZ       PHE  63  -6.345   4.177   1.653
  449    H    LYS  64           H        LYS  64 -11.192  -1.124  -2.908
  450    HA   LYS  64           HA       LYS  64 -13.443  -1.756  -1.253
  451   1HB   LYS  64          1HB       LYS  64 -13.791   0.575  -2.835
  452   2HB   LYS  64          2HB       LYS  64 -14.768  -0.697  -3.569
  453   1HG   LYS  64          1HG       LYS  64 -16.106  -0.946  -1.695
  454   2HG   LYS  64          2HG       LYS  64 -14.843  -0.400  -0.591
  455   1HD   LYS  64          1HD       LYS  64 -15.547   1.739  -0.715
  456   2HD   LYS  64          2HD       LYS  64 -15.581   1.690  -2.478
  457   1HE   LYS  64          1HE       LYS  64 -17.732   0.085  -1.411
  458   2HE   LYS  64          2HE       LYS  64 -17.801   1.709  -0.729
  459   1HZ   LYS  64          1HZ       LYS  64 -17.333   1.376  -3.610
  460   2HZ   LYS  64          3HZ       LYS  64 -18.908   1.205  -3.006
  461   3HZ   LYS  64          2HZ       LYS  64 -18.068   2.663  -2.778
  462    H    ASP  65           H        ASP  65 -12.614  -1.531  -4.734
  463    HA   ASP  65           HA       ASP  65 -13.970  -3.997  -5.371
  464   1HB   ASP  65          1HB       ASP  65 -12.936  -1.903  -6.834
  465   2HB   ASP  65          2HB       ASP  65 -11.808  -3.211  -7.195
  466    H    VAL  66           H        VAL  66 -11.094  -3.540  -3.661
  467    HA   VAL  66           HA       VAL  66 -10.155  -6.257  -4.504
  468    HB   VAL  66           HB       VAL  66  -8.418  -4.023  -3.462
  469   1HG1  VAL  66          2HG1      VAL  66  -7.909  -6.670  -4.812
  470   2HG1  VAL  66          1HG1      VAL  66  -6.681  -5.421  -4.644
  471   3HG1  VAL  66          3HG1      VAL  66  -7.387  -6.153  -3.208
  472   1HG2  VAL  66          1HG2      VAL  66  -9.205  -4.703  -6.277
  473   2HG2  VAL  66          3HG2      VAL  66  -9.106  -3.118  -5.508
  474   3HG2  VAL  66          2HG2      VAL  66  -7.630  -3.988  -5.929
  475    H    ALA  67           H        ALA  67  -9.739  -3.802  -2.005
  476    HA   ALA  67           HA       ALA  67  -9.732  -5.935   0.066
  477   1HB   ALA  67          2HB       ALA  67  -8.642  -3.117  -0.019
  478   2HB   ALA  67          1HB       ALA  67  -8.618  -4.129   1.425
  479   3HB   ALA  67          3HB       ALA  67  -7.716  -4.617  -0.009
  480    HA   PRO  68           HA       PRO  68 -13.759  -3.985   0.859
  481   1HB   PRO  68          1HB       PRO  68 -14.751  -6.070   2.354
  482   2HB   PRO  68          2HB       PRO  68 -14.803  -6.009   0.584
  483   1HG   PRO  68          1HG       PRO  68 -13.013  -7.613   2.357
  484   2HG   PRO  68          2HG       PRO  68 -13.574  -7.963   0.712
  485   1HD   PRO  68          1HD       PRO  68 -11.025  -6.977   1.390
  486   2HD   PRO  68          2HD       PRO  68 -11.743  -6.956  -0.234
  487    H    CYS  69           H        CYS  69 -11.147  -4.591   2.888
  488    HA   CYS  69           HA       CYS  69 -12.644  -3.657   5.290
  489   1HB   CYS  69          1HB       CYS  69 -10.725  -4.382   6.610
  490   2HB   CYS  69          2HB       CYS  69 -11.248  -5.705   5.568
  491    H    THR  70           H        THR  70 -10.372  -2.642   2.883
  492    HA   THR  70           HA       THR  70  -9.168  -0.520   4.456
  493    HB   THR  70           HB       THR  70  -8.329   0.312   2.304
  494    HG1  THR  70           HG1      THR  70  -9.624  -1.755   0.982
  495   1HG2  THR  70          2HG2      THR  70  -8.072  -2.462   3.209
  496   2HG2  THR  70          1HG2      THR  70  -7.636  -2.234   1.516
  497   3HG2  THR  70          3HG2      THR  70  -6.818  -1.303   2.770
  498    H    ASP  71           H        ASP  71 -12.295  -0.910   3.281
  499    HA   ASP  71           HA       ASP  71 -12.723   1.952   2.709
  500   1HB   ASP  71          1HB       ASP  71 -13.917   0.170   1.408
  501   2HB   ASP  71          2HB       ASP  71 -14.750  -0.300   2.889
  502    H    SER  72           H        SER  72 -11.778   1.842   5.189
  503    HA   SER  72           HA       SER  72 -14.189   2.216   6.916
  504   1HB   SER  72          1HB       SER  72 -11.657   1.541   8.280
  505   2HB   SER  72          2HB       SER  72 -13.289   0.951   8.584
  506    HG   SER  72           HG       SER  72 -13.025  -0.587   7.094
  507    HA   PRO  73           HA       PRO  73 -12.470   6.135   7.963
  508   1HB   PRO  73          1HB       PRO  73 -12.680   6.289  10.698
  509   2HB   PRO  73          2HB       PRO  73 -14.064   6.403   9.597
  510   1HG   PRO  73          1HG       PRO  73 -13.240   4.135  11.346
  511   2HG   PRO  73          2HG       PRO  73 -14.850   4.558  10.742
  512   1HD   PRO  73          1HD       PRO  73 -13.176   2.519   9.719
  513   2HD   PRO  73          2HD       PRO  73 -14.632   3.167   8.934
  514    H    GLU  74           H        GLU  74 -10.758   3.394   8.966
  515    HA   GLU  74           HA       GLU  74  -8.568   5.029  10.113
  516   1HB   GLU  74          1HB       GLU  74  -9.363   2.160  10.371
  517   2HB   GLU  74          2HB       GLU  74  -7.665   2.594  10.574
  518   1HG   GLU  74          1HG       GLU  74  -8.071   3.379  12.642
  519   2HG   GLU  74          2HG       GLU  74  -9.307   4.471  12.015
  520    H    PHE  75           H        PHE  75  -9.470   3.019   7.428
  521    HA   PHE  75           HA       PHE  75  -6.675   3.101   6.376
  522   1HB   PHE  75          1HB       PHE  75  -8.368   0.992   6.427
  523   2HB   PHE  75          2HB       PHE  75  -8.839   1.696   4.880
  524    HD1  PHE  75           HD1      PHE  75  -6.846   2.422   3.319
  525    HD2  PHE  75           HD2      PHE  75  -6.513  -0.448   6.492
  526    HE1  PHE  75           HE1      PHE  75  -4.826   1.491   2.250
  527    HE2  PHE  75           HE2      PHE  75  -4.471  -1.382   5.425
  528    HZ   PHE  75           HZ       PHE  75  -3.630  -0.415   3.305
  529    H    TYR  76           H        TYR  76  -9.929   3.299   4.867
  530    HA   TYR  76           HA       TYR  76  -8.970   5.214   2.897
  531   1HB   TYR  76          1HB       TYR  76 -10.910   3.560   2.596
  532   2HB   TYR  76          2HB       TYR  76 -11.863   4.659   3.591
  533    HD1  TYR  76           HD2      TYR  76  -9.257   5.398   0.985
  534    HD2  TYR  76           HD1      TYR  76 -13.382   5.707   2.147
  535    HE1  TYR  76           HE2      TYR  76  -9.707   6.800  -1.009
  536    HE2  TYR  76           HE1      TYR  76 -13.833   7.115   0.156
  537    HH   TYR  76           HH       TYR  76 -11.624   8.677  -1.533
  538    H    GLY  77           H        GLY  77 -10.133   5.390   6.125
  539   1HA   GLY  77          1HA       GLY  77 -11.288   8.008   6.121
  540   2HA   GLY  77          2HA       GLY  77 -10.608   7.195   7.522
  541    H    LYS  78           H        LYS  78  -8.084   7.007   7.332
  542    HA   LYS  78           HA       LYS  78  -7.060   9.679   7.429
  543   1HB   LYS  78          1HB       LYS  78  -5.295   7.271   7.033
  544   2HB   LYS  78          2HB       LYS  78  -4.987   8.718   7.991
  545   1HG   LYS  78          1HG       LYS  78  -6.733   6.355   8.643
  546   2HG   LYS  78          2HG       LYS  78  -5.509   7.132   9.641
  547   1HD   LYS  78          1HD       LYS  78  -7.257   9.197   9.313
  548   2HD   LYS  78          2HD       LYS  78  -8.369   7.828   9.260
  549   1HE   LYS  78          1HE       LYS  78  -7.855   7.151  11.434
  550   2HE   LYS  78          2HE       LYS  78  -6.273   7.932  11.411
  551   1HZ   LYS  78          2HZ       LYS  78  -7.427  10.089  11.389
  552   2HZ   LYS  78          1HZ       LYS  78  -8.914   9.281  11.547
  553   3HZ   LYS  78          3HZ       LYS  78  -7.762   9.185  12.789
  554    H    PHE  79           H        PHE  79  -7.605   7.582   4.806
  555    HA   PHE  79           HA       PHE  79  -5.596   8.710   3.059
  556   1HB   PHE  79          1HB       PHE  79  -6.342   6.458   2.657
  557   2HB   PHE  79          2HB       PHE  79  -8.023   6.976   2.634
  558    HD1  PHE  79           HD1      PHE  79  -8.772   8.582   0.781
  559    HD2  PHE  79           HD2      PHE  79  -5.047   6.430   0.643
  560    HE1  PHE  79           HE1      PHE  79  -8.663   8.905  -1.678
  561    HE2  PHE  79           HE2      PHE  79  -4.971   6.739  -1.798
  562    HZ   PHE  79           HZ       PHE  79  -6.764   7.976  -2.957
  563    H    LYS  80           H        LYS  80  -9.056   9.155   3.648
  564    HA   LYS  80           HA       LYS  80  -9.293  11.152   1.580
  565   1HB   LYS  80          1HB       LYS  80 -11.083   9.848   3.529
  566   2HB   LYS  80          2HB       LYS  80 -11.496  11.515   3.133
  567   1HG   LYS  80          1HG       LYS  80 -11.041  10.651   0.649
  568   2HG   LYS  80          2HG       LYS  80 -11.471   9.101   1.374
  569   1HD   LYS  80          1HD       LYS  80 -13.652   9.678   1.596
  570   2HD   LYS  80          2HD       LYS  80 -13.256  11.304   2.152
  571   1HE   LYS  80          1HE       LYS  80 -12.863  12.049  -0.123
  572   2HE   LYS  80          2HE       LYS  80 -13.064  10.407  -0.736
  573   1HZ   LYS  80          3HZ       LYS  80 -15.351  10.469   0.202
  574   2HZ   LYS  80          2HZ       LYS  80 -15.127  12.121   0.529
  575   3HZ   LYS  80          1HZ       LYS  80 -15.093  11.557  -1.073
  576    H    GLU  81           H        GLU  81  -7.952  11.081   4.629
  577    HA   GLU  81           HA       GLU  81  -8.653  13.911   5.255
  578   1HB   GLU  81          1HB       GLU  81  -6.889  12.012   6.835
  579   2HB   GLU  81          2HB       GLU  81  -7.614  13.517   7.403
  580   1HG   GLU  81          1HG       GLU  81  -9.602  11.662   6.323
  581   2HG   GLU  81          2HG       GLU  81  -8.713  10.979   7.685
  582    H    GLY  82           H        GLY  82  -5.955  11.803   4.479
  583   1HA   GLY  82          1HA       GLY  82  -3.932  13.878   4.518
  584   2HA   GLY  82          2HA       GLY  82  -3.759  12.286   3.771
  585    H    VAL  83           H        VAL  83  -5.878  12.315   1.988
  586    HA   VAL  83           HA       VAL  83  -4.834  13.636  -0.282
  587    HB   VAL  83           HB       VAL  83  -7.727  12.900   0.289
  588   1HG1  VAL  83          2HG1      VAL  83  -6.450  14.205  -1.959
  589   2HG1  VAL  83          1HG1      VAL  83  -7.132  12.654  -2.450
  590   3HG1  VAL  83          3HG1      VAL  83  -8.160  13.869  -1.693
  591   1HG2  VAL  83          1HG2      VAL  83  -5.540  11.218   0.136
  592   2HG2  VAL  83          3HG2      VAL  83  -7.207  10.749  -0.197
  593   3HG2  VAL  83          2HG2      VAL  83  -6.145  11.214  -1.520
  594    H    ALA  84           H        ALA  84  -7.241  14.726   2.082
  595    HA   ALA  84           HA       ALA  84  -7.662  17.258   0.653
  596   1HB   ALA  84          2HB       ALA  84  -8.748  16.048   3.192
  597   2HB   ALA  84          1HB       ALA  84  -9.071  17.728   2.764
  598   3HB   ALA  84          3HB       ALA  84  -9.611  16.429   1.703
  599    H    SER  85           H        SER  85  -5.532  16.082   3.102
  600    HA   SER  85           HA       SER  85  -5.091  18.753   4.265
  601   1HB   SER  85          1HB       SER  85  -4.534  16.039   5.037
  602   2HB   SER  85          2HB       SER  85  -3.039  16.969   5.066
  603    HG   SER  85           HG       SER  85  -4.101  17.212   7.029
  604    H    GLY  86           H        GLY  86  -3.820  16.857   1.680
  605   1HA   GLY  86          1HA       GLY  86  -2.241  17.529   0.053
  606   2HA   GLY  86          2HA       GLY  86  -1.955  19.000   0.992
  607    H    ASN  87           H        ASN  87  -1.781  16.037   2.756
  608    HA   ASN  87           HA       ASN  87   1.060  15.572   2.296
  609   1HB   ASN  87          1HB       ASN  87   0.786  17.678   3.842
  610   2HB   ASN  87          2HB       ASN  87   0.377  16.488   5.079
  611   1HD2  ASN  87          2HD2      ASN  87   3.694  15.219   5.337
  612   2HD2  ASN  87          1HD2      ASN  87   2.063  14.937   5.713
  613    H    LEU  88           H        LEU  88  -0.762  13.709   1.978
  614    HA   LEU  88           HA       LEU  88  -1.843  12.266   4.108
  615   1HB   LEU  88          1HB       LEU  88  -1.721  11.828   1.461
  616   2HB   LEU  88          2HB       LEU  88  -0.494  10.675   1.984
  617    HG   LEU  88           HG       LEU  88  -2.781  10.524   3.734
  618   1HD1  LEU  88          1HD1      LEU  88  -3.378  10.964   0.925
  619   2HD1  LEU  88          3HD1      LEU  88  -3.924   9.370   1.447
  620   3HD1  LEU  88          2HD1      LEU  88  -4.486  10.815   2.288
  621   1HD2  LEU  88          2HD2      LEU  88  -1.252   8.711   1.882
  622   2HD2  LEU  88          1HD2      LEU  88  -1.366   8.655   3.641
  623   3HD2  LEU  88          3HD2      LEU  88  -2.732   8.138   2.652
  624    H    ASN  89           H        ASN  89  -0.922  11.378   5.882
  625    HA   ASN  89           HA       ASN  89   1.581   9.883   5.695
  626   1HB   ASN  89          1HB       ASN  89   2.315  12.297   5.924
  627   2HB   ASN  89          2HB       ASN  89   1.511  12.324   7.494
  628   1HD2  ASN  89          2HD2      ASN  89   4.745  11.343   8.672
  629   2HD2  ASN  89          1HD2      ASN  89   3.704  12.669   8.471
  630    H    THR  90           H        THR  90   0.030   8.246   6.464
  631    HA   THR  90           HA       THR  90  -0.240   8.379   9.420
  632    HB   THR  90           HB       THR  90  -2.351   9.312   8.509
  633    HG1  THR  90           HG1      THR  90  -2.716   6.694   9.520
  634   1HG2  THR  90          1HG2      THR  90  -1.991   7.403   6.525
  635   2HG2  THR  90          3HG2      THR  90  -3.335   6.763   7.472
  636   3HG2  THR  90          2HG2      THR  90  -3.443   8.377   6.767
  637    H    MET  91           H        MET  91  -0.541   6.311  10.400
  638    HA   MET  91           HA       MET  91  -0.332   3.946   8.597
  639   1HB   MET  91          1HB       MET  91   1.376   3.018  10.255
  640   2HB   MET  91          2HB       MET  91   1.955   4.322   9.219
  641   1HG   MET  91          2HG       MET  91   1.338   5.933  11.080
  642   2HG   MET  91          1HG       MET  91   1.065   4.525  12.106
  643   1HE   MET  91          1HE       MET  91   2.676   6.430  13.196
  644   2HE   MET  91          3HE       MET  91   3.037   4.874  13.958
  645   3HE   MET  91          2HE       MET  91   4.348   5.943  13.465
  646    H    PHE  92           H        PHE  92  -0.596   1.873  10.067
  647    HA   PHE  92           HA       PHE  92  -1.878   2.078  12.603
  648   1HB   PHE  92          1HB       PHE  92  -4.242   1.564  11.823
  649   2HB   PHE  92          2HB       PHE  92  -3.697   3.219  11.553
  650    HD1  PHE  92           HD1      PHE  92  -3.730  -0.122   9.832
  651    HD2  PHE  92           HD2      PHE  92  -3.920   4.144   9.424
  652    HE1  PHE  92           HE1      PHE  92  -4.179  -0.378   7.418
  653    HE2  PHE  92           HE2      PHE  92  -4.356   3.887   6.993
  654    HZ   PHE  92           HZ       PHE  92  -4.451   1.616   5.992
  655    H    GLU  93           H        GLU  93  -2.599   0.015  13.374
  656    HA   GLU  93           HA       GLU  93  -1.389  -2.238  11.939
  657   1HB   GLU  93          1HB       GLU  93  -2.170  -3.550  13.930
  658   2HB   GLU  93          2HB       GLU  93  -1.164  -2.169  14.367
  659   1HG   GLU  93          1HG       GLU  93  -3.865  -1.260  14.216
  660   2HG   GLU  93          2HG       GLU  93  -3.845  -2.731  15.190
  661    H    TYR  94           H        TYR  94  -2.583  -2.937  10.206
  662    HA   TYR  94           HA       TYR  94  -5.537  -3.118  10.562
  663   1HB   TYR  94          1HB       TYR  94  -4.044  -2.017   8.502
  664   2HB   TYR  94          2HB       TYR  94  -4.516  -3.593   7.863
  665    HD1  TYR  94           HD1      TYR  94  -6.150  -1.061  10.101
  666    HD2  TYR  94           HD2      TYR  94  -6.435  -3.460   6.549
  667    HE1  TYR  94           HE1      TYR  94  -8.448  -0.218   9.716
  668    HE2  TYR  94           HE2      TYR  94  -8.734  -2.616   6.162
  669    HH   TYR  94           HH       TYR  94  -9.964  -0.140   7.109
  670    H    THR  95           H        THR  95  -6.454  -4.987   9.124
  671    HA   THR  95           HA       THR  95  -4.735  -7.400   9.248
  672    HB   THR  95           HB       THR  95  -7.525  -7.349  10.434
  673    HG1  THR  95           HG1      THR  95  -4.971  -7.140  11.635
  674   1HG2  THR  95          3HG2      THR  95  -6.446  -9.497   9.489
  675   2HG2  THR  95          2HG2      THR  95  -5.339  -9.384  10.857
  676   3HG2  THR  95          1HG2      THR  95  -7.072  -9.559  11.137
  677    H    PHE  96           H        PHE  96  -4.832  -8.068   7.147
  678    HA   PHE  96           HA       PHE  96  -7.191  -7.504   5.497
  679   1HB   PHE  96          1HB       PHE  96  -4.694  -9.132   4.934
  680   2HB   PHE  96          2HB       PHE  96  -5.943  -8.790   3.745
  681    HD1  PHE  96           HD2      PHE  96  -6.093  -5.887   5.524
  682    HD2  PHE  96           HD1      PHE  96  -3.309  -8.005   3.024
  683    HE1  PHE  96           HE2      PHE  96  -4.966  -3.750   4.965
  684    HE2  PHE  96           HE1      PHE  96  -2.187  -5.868   2.466
  685    HZ   PHE  96           HZ       PHE  96  -3.010  -3.741   3.431
  686    H    ASP  97           H        ASP  97  -8.935  -8.691   6.325
  687    HA   ASP  97           HA       ASP  97  -8.558 -11.656   6.420
  688   1HB   ASP  97          1HB       ASP  97 -10.532 -11.673   7.934
  689   2HB   ASP  97          2HB       ASP  97  -9.204 -10.713   8.587
  690    H    TYR  98           H        TYR  98  -9.157 -10.013   4.028
  691    HA   TYR  98           HA       TYR  98 -11.975 -10.540   3.421
  692   1HB   TYR  98          1HB       TYR  98 -11.616  -9.314   1.481
  693   2HB   TYR  98          2HB       TYR  98 -10.287  -8.689   2.448
  694    HD1  TYR  98           HD2      TYR  98  -8.341 -10.911   2.361
  695    HD2  TYR  98           HD1      TYR  98 -10.858  -9.328  -0.730
  696    HE1  TYR  98           HE2      TYR  98  -6.756 -11.753   0.657
  697    HE2  TYR  98           HE1      TYR  98  -9.265 -10.152  -2.450
  698    HH   TYR  98           HH       TYR  98  -6.253 -10.884  -1.962
  699    H    GLN  99           H        GLN  99 -12.574 -12.058   1.645
  700    HA   GLN  99           HA       GLN  99 -12.514 -14.583   1.578
  701   1HB   GLN  99          1HB       GLN  99 -11.744 -14.838  -0.798
  702   2HB   GLN  99          2HB       GLN  99 -12.897 -13.526  -0.556
  703   1HG   GLN  99          1HG       GLN  99 -10.533 -12.229  -0.112
  704   2HG   GLN  99          2HG       GLN  99 -10.047 -13.410  -1.330
  705   1HE2  GLN  99          2HE2      GLN  99 -11.318 -11.253  -3.806
  706   2HE2  GLN  99          1HE2      GLN  99 -10.000 -12.154  -3.229
  707    H    MET 100           H        MET 100 -10.749 -14.737   3.400
  708    HA   MET 100           HA       MET 100  -8.760 -16.609   2.629
  709   1HB   MET 100          1HB       MET 100  -8.035 -14.051   1.793
  710   2HB   MET 100          2HB       MET 100  -7.212 -14.214   3.346
  711   1HG   MET 100          2HG       MET 100  -5.622 -15.295   2.126
  712   2HG   MET 100          1HG       MET 100  -6.720 -16.667   2.257
  713   1HE   MET 100          1HE       MET 100  -4.917 -14.313   0.612
  714   2HE   MET 100          3HE       MET 100  -4.742 -15.100  -0.962
  715   3HE   MET 100          2HE       MET 100  -5.783 -13.688  -0.791
  716    H    THR 101           H        THR 101  -6.720 -15.676   4.537
  717    HA   THR 101           HA       THR 101  -8.228 -16.220   7.039
  718    HB   THR 101           HB       THR 101  -5.525 -16.190   7.677
  719    HG1  THR 101           HG1      THR 101  -5.810 -17.496   5.190
  720   1HG2  THR 101          2HG2      THR 101  -7.217 -17.880   8.325
  721   2HG2  THR 101          1HG2      THR 101  -7.182 -18.530   6.686
  722   3HG2  THR 101          3HG2      THR 101  -5.749 -18.636   7.707
  723    HA   PRO 102           HA       PRO 102  -7.526 -12.170   8.612
  724   1HB   PRO 102          1HB       PRO 102  -6.801 -12.612  11.225
  725   2HB   PRO 102          2HB       PRO 102  -8.452 -12.816  10.615
  726   1HG   PRO 102          1HG       PRO 102  -6.448 -14.900  11.342
  727   2HG   PRO 102          2HG       PRO 102  -8.217 -14.998  11.331
  728   1HD   PRO 102          1HD       PRO 102  -6.482 -16.046   9.352
  729   2HD   PRO 102          2HD       PRO 102  -8.242 -15.856   9.207
  730    H    THR 103           H        THR 103  -5.547 -11.879   7.221
  731    HA   THR 103           HA       THR 103  -2.902 -12.351   8.294
  732    HB   THR 103           HB       THR 103  -3.991 -10.690   6.010
  733    HG1  THR 103           HG1      THR 103  -2.188 -12.871   6.107
  734   1HG2  THR 103          1HG2      THR 103  -1.359 -10.455   7.317
  735   2HG2  THR 103          3HG2      THR 103  -1.278 -10.738   5.578
  736   3HG2  THR 103          2HG2      THR 103  -2.167  -9.350   6.205
  737    H    LYS 104           H        LYS 104  -1.520 -10.856   9.307
  738    HA   LYS 104           HA       LYS 104  -2.844  -8.347  10.260
  739   1HB   LYS 104          1HB       LYS 104  -2.107 -10.305  11.921
  740   2HB   LYS 104          2HB       LYS 104  -0.520  -9.560  11.726
  741   1HG   LYS 104          1HG       LYS 104  -1.101  -7.722  12.925
  742   2HG   LYS 104          2HG       LYS 104  -2.700  -7.632  12.187
  743   1HD   LYS 104          1HD       LYS 104  -3.633  -8.623  13.977
  744   2HD   LYS 104          2HD       LYS 104  -2.526  -9.990  13.839
  745   1HE   LYS 104          1HE       LYS 104  -1.269  -7.547  14.894
  746   2HE   LYS 104          2HE       LYS 104  -2.545  -8.193  15.925
  747   1HZ   LYS 104          1HZ       LYS 104  -1.396 -10.423  15.556
  748   2HZ   LYS 104          3HZ       LYS 104  -0.068  -9.518  15.011
  749   3HZ   LYS 104          2HZ       LYS 104  -0.639  -9.313  16.597
  750    H    VAL 105           H        VAL 105  -1.664  -6.439   9.935
  751    HA   VAL 105           HA       VAL 105   1.188  -6.606   9.161
  752    HB   VAL 105           HB       VAL 105   0.867  -5.541   6.995
  753   1HG1  VAL 105          1HG1      VAL 105   0.650  -8.059   7.181
  754   2HG1  VAL 105          3HG1      VAL 105  -1.098  -7.849   7.206
  755   3HG1  VAL 105          2HG1      VAL 105  -0.172  -7.374   5.783
  756   1HG2  VAL 105          1HG2      VAL 105  -2.028  -5.467   7.848
  757   2HG2  VAL 105          3HG2      VAL 105  -1.028  -4.155   7.225
  758   3HG2  VAL 105          2HG2      VAL 105  -1.590  -5.426   6.140
  759    H    LYS 106           H        LYS 106   2.223  -4.583   9.470
  760    HA   LYS 106           HA       LYS 106   0.493  -2.455  10.644
  761   1HB   LYS 106          1HB       LYS 106   2.690  -1.365  11.298
  762   2HB   LYS 106          2HB       LYS 106   2.390  -2.911  12.084
  763   1HG   LYS 106          1HG       LYS 106   3.894  -2.947   9.514
  764   2HG   LYS 106          2HG       LYS 106   4.735  -2.342  10.934
  765   1HD   LYS 106          1HD       LYS 106   3.282  -4.708  11.665
  766   2HD   LYS 106          2HD       LYS 106   4.247  -5.059  10.232
  767   1HE   LYS 106          1HE       LYS 106   5.373  -3.662  12.669
  768   2HE   LYS 106          2HE       LYS 106   5.443  -5.411  12.446
  769   1HZ   LYS 106          3HZ       LYS 106   6.392  -3.615  10.315
  770   2HZ   LYS 106          2HZ       LYS 106   7.395  -3.956  11.644
  771   3HZ   LYS 106          1HZ       LYS 106   6.843  -5.217  10.647
  772    H    VAL 107           H        VAL 107  -0.207  -1.060   9.147
  773    HA   VAL 107           HA       VAL 107   1.158  -0.879   6.547
  774    HB   VAL 107           HB       VAL 107  -0.928  -0.297   5.707
  775   1HG1  VAL 107          2HG1      VAL 107  -1.294  -2.060   7.583
  776   2HG1  VAL 107          1HG1      VAL 107  -2.186  -0.750   8.351
  777   3HG1  VAL 107          3HG1      VAL 107  -2.662  -1.322   6.751
  778   1HG2  VAL 107          2HG2      VAL 107  -0.632   2.026   6.947
  779   2HG2  VAL 107          1HG2      VAL 107  -2.169   1.528   6.292
  780   3HG2  VAL 107          3HG2      VAL 107  -1.857   1.350   8.014
  781    H    HIS 108           H        HIS 108   1.363   1.260   5.526
  782    HA   HIS 108           HA       HIS 108   1.708   3.638   7.172
  783   1HB   HIS 108          1HB       HIS 108   3.844   2.462   7.679
  784   2HB   HIS 108          2HB       HIS 108   4.193   2.394   5.948
  785    HD1  HIS 108           HD1      HIS 108   6.319   3.952   6.626
  786    HD2  HIS 108           HD2      HIS 108   2.560   5.723   6.964
  787    HE1  HIS 108           HE1      HIS 108   6.709   6.455   6.733
  788    H    MET 109           H        MET 109   0.493   4.798   5.675
  789    HA   MET 109           HA       MET 109   1.343   4.643   2.805
  790   1HB   MET 109          1HB       MET 109  -1.222   5.961   3.536
  791   2HB   MET 109          2HB       MET 109  -0.858   4.891   2.192
  792   1HG   MET 109          2HG       MET 109  -0.937   2.942   3.672
  793   2HG   MET 109          1HG       MET 109  -1.169   3.983   5.072
  794   1HE   MET 109          1HE       MET 109  -3.059   4.907   5.884
  795   2HE   MET 109          3HE       MET 109  -3.296   6.091   4.593
  796   3HE   MET 109          2HE       MET 109  -4.643   5.096   5.139
  797    H    LYS 110           H        LYS 110   1.616   6.665   1.591
  798    HA   LYS 110           HA       LYS 110   1.314   9.147   3.228
  799   1HB   LYS 110          1HB       LYS 110   3.769   7.999   3.153
  800   2HB   LYS 110          2HB       LYS 110   3.855   8.994   1.700
  801   1HG   LYS 110          1HG       LYS 110   3.267  10.978   2.985
  802   2HG   LYS 110          2HG       LYS 110   3.045  10.004   4.437
  803   1HD   LYS 110          1HD       LYS 110   5.269   9.920   4.853
  804   2HD   LYS 110          2HD       LYS 110   5.656   9.601   3.162
  805   1HE   LYS 110          1HE       LYS 110   5.788  11.855   2.623
  806   2HE   LYS 110          2HE       LYS 110   4.704  12.336   3.929
  807   1HZ   LYS 110          1HZ       LYS 110   7.330  11.142   4.532
  808   2HZ   LYS 110          3HZ       LYS 110   7.208  12.792   4.162
  809   3HZ   LYS 110          2HZ       LYS 110   6.369  12.159   5.497
  810    H    LYS 111           H        LYS 111   1.880  11.113   1.666
  811    HA   LYS 111           HA       LYS 111   0.301  10.653  -0.763
  812   1HB   LYS 111          1HB       LYS 111  -0.099  12.704   0.477
  813   2HB   LYS 111          2HB       LYS 111   1.603  13.153   0.362
  814   1HG   LYS 111          1HG       LYS 111   1.443  13.718  -1.884
  815   2HG   LYS 111          2HG       LYS 111   0.100  12.611  -2.172
  816   1HD   LYS 111          1HD       LYS 111  -1.475  14.080  -1.194
  817   2HD   LYS 111          2HD       LYS 111  -0.220  15.030  -0.397
  818   1HE   LYS 111          1HE       LYS 111   0.297  15.034  -3.216
  819   2HE   LYS 111          2HE       LYS 111  -1.391  15.475  -2.958
  820   1HZ   LYS 111          3HZ       LYS 111   0.801  16.691  -1.390
  821   2HZ   LYS 111          2HZ       LYS 111   0.306  17.332  -2.883
  822   3HZ   LYS 111          1HZ       LYS 111  -0.788  17.249  -1.585
  823    H    ALA 112           H        ALA 112   1.429   9.612  -2.339
  824    HA   ALA 112           HA       ALA 112   4.201   9.636  -2.790
  825   1HB   ALA 112          1HB       ALA 112   2.087   8.400  -3.953
  826   2HB   ALA 112          3HB       ALA 112   2.491   9.570  -5.208
  827   3HB   ALA 112          2HB       ALA 112   3.706   8.418  -4.653
  828    H    LEU 113           H        LEU 113   5.593  11.050  -3.817
  829    HA   LEU 113           HA       LEU 113   4.520  13.725  -4.456
  830   1HB   LEU 113          1HB       LEU 113   6.741  13.026  -3.133
  831   2HB   LEU 113          2HB       LEU 113   7.415  13.085  -4.762
  832    HG   LEU 113           HG       LEU 113   5.848  15.376  -4.632
  833   1HD1  LEU 113          3HD1      LEU 113   5.695  14.896  -2.139
  834   2HD1  LEU 113          2HD1      LEU 113   7.437  15.171  -2.063
  835   3HD1  LEU 113          1HD1      LEU 113   6.358  16.475  -2.561
  836   1HD2  LEU 113          2HD2      LEU 113   8.300  14.820  -5.434
  837   2HD2  LEU 113          1HD2      LEU 113   7.882  16.471  -4.976
  838   3HD2  LEU 113          3HD2      LEU 113   8.746  15.433  -3.842
  839    H    SER 114           H        SER 114   4.812  10.963  -6.222
  840    HA   SER 114           HA       SER 114   6.210  11.762  -8.564
  841   1HB   SER 114          1HB       SER 114   5.252   9.437  -7.931
  842   2HB   SER 114          2HB       SER 114   3.746  10.025  -8.631
  843    HG   SER 114           HG       SER 114   5.119  10.588 -10.506
  844    H    GLY 115           H        GLY 115   2.894  12.348  -7.498
  845   1HA   GLY 115          1HA       GLY 115   2.535  14.729  -8.941
  846   2HA   GLY 115          2HA       GLY 115   1.952  13.436  -9.990
  847    H    ASP 116           H        ASP 116   1.703  14.280  -6.515
  848    HA   ASP 116           HA       ASP 116  -0.171  14.287  -5.102
  849   1HB   ASP 116          1HB       ASP 116  -1.698  14.584  -7.707
  850   2HB   ASP 116          2HB       ASP 116  -2.305  14.958  -6.094
  851    H    SER 117           H        SER 117   0.529  11.898  -4.950
  852    HA   SER 117           HA       SER 117  -1.727  10.190  -5.919
  853   1HB   SER 117          1HB       SER 117   1.014   9.916  -6.506
  854   2HB   SER 117          2HB       SER 117   0.657   8.665  -5.317
  855    HG   SER 117           HG       SER 117   0.157   8.538  -7.836
  856    H    TYR 118           H        TYR 118  -1.212   7.921  -4.494
  857    HA   TYR 118           HA       TYR 118  -0.908   8.630  -1.634
  858   1HB   TYR 118          1HB       TYR 118  -3.409   7.241  -2.632
  859   2HB   TYR 118          2HB       TYR 118  -3.125   7.878  -1.010
  860    HD1  TYR 118           HD2      TYR 118  -2.732  10.435  -0.820
  861    HD2  TYR 118           HD1      TYR 118  -4.422   8.501  -4.258
  862    HE1  TYR 118           HE2      TYR 118  -3.707  12.586  -1.554
  863    HE2  TYR 118           HE1      TYR 118  -5.394  10.637  -4.989
  864    HH   TYR 118           HH       TYR 118  -5.178  12.965  -4.695
  865    H    TRP 119           H        TRP 119   0.730   7.070  -1.282
  866    HA   TRP 119           HA       TRP 119   0.117   4.371  -2.283
  867   1HB   TRP 119          1HB       TRP 119   2.540   3.869  -1.927
  868   2HB   TRP 119          2HB       TRP 119   2.163   4.991  -3.220
  869    HD1  TRP 119           HD1      TRP 119   3.465   7.172  -3.164
  870    HE1  TRP 119           HE1      TRP 119   5.041   8.320  -1.475
  871    HE3  TRP 119           HE3      TRP 119   2.709   4.154   0.718
  872    HZ2  TRP 119           HZ2      TRP 119   5.884   7.923   1.250
  873    HZ3  TRP 119           HZ3      TRP 119   3.898   4.494   2.888
  874    HH2  TRP 119           HH2      TRP 119   5.483   6.370   3.140
  875    H    VAL 120           H        VAL 120   0.073   2.604  -1.079
  876    HA   VAL 120           HA       VAL 120   0.127   3.016   1.878
  877    HB   VAL 120           HB       VAL 120  -1.513   1.020   0.266
  878   1HG1  VAL 120          3HG1      VAL 120  -0.760   1.120   3.022
  879   2HG1  VAL 120          2HG1      VAL 120  -2.485   1.467   2.910
  880   3HG1  VAL 120          1HG1      VAL 120  -1.838  -0.024   2.224
  881   1HG2  VAL 120          2HG2      VAL 120  -2.073   3.761   1.320
  882   2HG2  VAL 120          1HG2      VAL 120  -2.651   2.990  -0.153
  883   3HG2  VAL 120          3HG2      VAL 120  -3.362   2.565   1.404
  884    H    PHE 121           H        PHE 121   1.860   1.977   2.765
  885    HA   PHE 121           HA       PHE 121   2.989  -0.376   1.348
  886   1HB   PHE 121          1HB       PHE 121   4.199   1.259   3.609
  887   2HB   PHE 121          2HB       PHE 121   5.001  -0.037   2.730
  888    HD1  PHE 121           HD1      PHE 121   3.424   1.056   0.055
  889    HD2  PHE 121           HD2      PHE 121   6.182   2.677   2.924
  890    HE1  PHE 121           HE1      PHE 121   4.234   2.691  -1.640
  891    HE2  PHE 121           HE2      PHE 121   6.929   4.339   1.252
  892    HZ   PHE 121           HZ       PHE 121   5.958   4.343  -1.014
  893    H    VAL 122           H        VAL 122   2.358  -2.348   2.157
  894    HA   VAL 122           HA       VAL 122   1.464  -2.402   4.973
  895    HB   VAL 122           HB       VAL 122   0.623  -3.783   2.520
  896   1HG1  VAL 122          2HG1      VAL 122   0.921  -5.403   5.071
  897   2HG1  VAL 122          1HG1      VAL 122  -0.092  -5.876   3.708
  898   3HG1  VAL 122          3HG1      VAL 122   1.656  -5.758   3.509
  899   1HG2  VAL 122          2HG2      VAL 122  -0.448  -2.627   4.965
  900   2HG2  VAL 122          1HG2      VAL 122  -1.209  -2.815   3.385
  901   3HG2  VAL 122          3HG2      VAL 122  -1.247  -4.143   4.545
  902    H    LYS 123           H        LYS 123   2.580  -3.368   6.482
  903    HA   LYS 123           HA       LYS 123   5.016  -4.900   5.709
  904   1HB   LYS 123          1HB       LYS 123   4.465  -2.883   7.645
  905   2HB   LYS 123          2HB       LYS 123   4.811  -4.373   8.526
  906   1HG   LYS 123          1HG       LYS 123   6.974  -3.701   8.242
  907   2HG   LYS 123          2HG       LYS 123   6.771  -4.466   6.667
  908   1HD   LYS 123          1HD       LYS 123   6.235  -2.360   5.629
  909   2HD   LYS 123          2HD       LYS 123   6.111  -1.562   7.189
  910   1HE   LYS 123          1HE       LYS 123   8.270  -1.098   5.974
  911   2HE   LYS 123          2HE       LYS 123   8.463  -1.786   7.576
  912   1HZ   LYS 123          3HZ       LYS 123   8.252  -3.855   5.676
  913   2HZ   LYS 123          2HZ       LYS 123   9.470  -2.773   5.205
  914   3HZ   LYS 123          1HZ       LYS 123   9.527  -3.508   6.734
  915    H    ARG 124           H        ARG 124   4.885  -7.130   5.944
  916    HA   ARG 124           HA       ARG 124   2.516  -8.217   7.281
  917   1HB   ARG 124          1HB       ARG 124   3.302  -9.432   5.345
  918   2HB   ARG 124          2HB       ARG 124   4.930  -9.554   6.009
  919   1HG   ARG 124          1HG       ARG 124   4.390 -11.328   7.331
  920   2HG   ARG 124          2HG       ARG 124   2.820 -10.648   7.760
  921   1HD   ARG 124          1HD       ARG 124   1.960 -11.293   5.515
  922   2HD   ARG 124          2HD       ARG 124   3.513 -12.048   5.160
  923    HE   ARG 124           HE       ARG 124   2.354 -13.054   7.624
  924   1HH1  ARG 124          1HH2      ARG 124   3.885 -14.701   5.630
  925   2HH1  ARG 124          2HH2      ARG 124   2.636 -15.687   4.946
  926   1HH2  ARG 124          2HH1      ARG 124   0.052 -13.698   6.127
  927   2HH2  ARG 124          1HH1      ARG 124   0.465 -15.118   5.225
  928    H    VAL 125           H        VAL 125   2.357  -8.552   9.389
  929    HA   VAL 125           HA       VAL 125   4.771  -8.427  11.077
  930    HB   VAL 125           HB       VAL 125   2.143  -8.981  12.348
  931   1HG1  VAL 125          1HG1      VAL 125   4.469  -8.250  13.323
  932   2HG1  VAL 125          3HG1      VAL 125   3.939  -6.637  12.845
  933   3HG1  VAL 125          2HG1      VAL 125   2.984  -7.575  13.994
  934   1HG2  VAL 125          3HG2      VAL 125   2.594  -6.667  10.512
  935   2HG2  VAL 125          2HG2      VAL 125   1.096  -7.496  10.925
  936   3HG2  VAL 125          1HG2      VAL 125   1.800  -6.340  12.053
  937    H2   HC4  69           H2       HC4  69  -7.065  -5.462   2.920
  938    H3   HC4  69           H3       HC4  69  -8.766  -7.608   1.562
  939    H2'  HC4  69           H2'      HC4  69  -7.627  -8.693  -0.304
  940    H3'  HC4  69           H3'      HC4  69  -5.657  -8.995  -1.796
  941    H5'  HC4  69           H5'      HC4  69  -3.526  -5.938   0.386
  942    H6'  HC4  69           H6'      HC4  69  -5.509  -5.625   1.863
   
  No H/Q in entry =         942
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1  19.526   2.939  15.623
    2   2H    MET   1           H3       MET   1  20.896   3.900  15.904
    3   3H    MET   1           H2       MET   1  19.428   4.625  15.452
    4    HA   MET   1           HA       MET   1  20.491   4.655  13.450
    5   1HB   MET   1          1HB       MET   1  21.939   2.673  12.750
    6   2HB   MET   1          2HB       MET   1  22.554   3.628  14.099
    7   1HG   MET   1          2HG       MET   1  21.614   2.004  15.694
    8   2HG   MET   1          1HG       MET   1  20.970   1.053  14.355
    9   1HE   MET   1          3HE       MET   1  22.826   0.723  16.844
   10   2HE   MET   1          2HE       MET   1  22.877  -0.873  16.097
   11   3HE   MET   1          1HE       MET   1  24.381  -0.039  16.482
   12    H    GLU   2           H        GLU   2  17.890   3.641  14.239
   13    HA   GLU   2           HA       GLU   2  17.418   1.821  11.921
   14   1HB   GLU   2          1HB       GLU   2  17.003   1.244  14.728
   15   2HB   GLU   2          2HB       GLU   2  15.470   1.186  13.858
   16   1HG   GLU   2          1HG       GLU   2  17.756  -0.094  12.479
   17   2HG   GLU   2          2HG       GLU   2  17.221  -0.895  13.956
   18    H    HIS   3           H        HIS   3  17.028   4.323  11.348
   19    HA   HIS   3           HA       HIS   3  14.156   4.937  11.917
   20   1HB   HIS   3          1HB       HIS   3  16.566   6.655  11.414
   21   2HB   HIS   3          2HB       HIS   3  14.976   7.260  10.952
   22    HD1  HIS   3           HD1      HIS   3  16.850   5.973  13.995
   23    HD2  HIS   3           HD2      HIS   3  13.415   8.154  13.088
   24    HE1  HIS   3           HE1      HIS   3  15.952   6.844  16.197
   25    H    VAL   4           H        VAL   4  12.831   4.490  10.222
   26    HA   VAL   4           HA       VAL   4  13.346   5.373   7.545
   27    HB   VAL   4           HB       VAL   4  15.008   3.533   7.582
   28   1HG1  VAL   4          3HG1      VAL   4  12.821   2.188   8.933
   29   2HG1  VAL   4          2HG1      VAL   4  13.363   1.245   7.544
   30   3HG1  VAL   4          1HG1      VAL   4  14.511   1.702   8.803
   31   1HG2  VAL   4          1HG2      VAL   4  13.331   4.080   5.588
   32   2HG2  VAL   4          3HG2      VAL   4  14.429   2.703   5.492
   33   3HG2  VAL   4          2HG2      VAL   4  12.742   2.454   5.942
   34    H    ALA   5           H        ALA   5  11.073   5.869   8.754
   35    HA   ALA   5           HA       ALA   5   8.736   5.533   8.665
   36   1HB   ALA   5          3HB       ALA   5   9.222   5.319   6.222
   37   2HB   ALA   5          2HB       ALA   5   9.513   3.602   6.451
   38   3HB   ALA   5          1HB       ALA   5   7.903   4.262   6.714
   39    H    PHE   6           H        PHE   6   7.598   2.810   7.865
   40    HA   PHE   6           HA       PHE   6   8.161   1.489  10.455
   41   1HB   PHE   6          1HB       PHE   6   6.141   0.254  10.126
   42   2HB   PHE   6          2HB       PHE   6   5.796   1.935   9.769
   43    HD1  PHE   6           HD1      PHE   6   7.516   1.169   6.861
   44    HD2  PHE   6           HD2      PHE   6   3.919   0.022   8.922
   45    HE1  PHE   6           HE1      PHE   6   6.503   0.484   4.731
   46    HE2  PHE   6           HE2      PHE   6   2.938  -0.668   6.770
   47    HZ   PHE   6           HZ       PHE   6   4.204  -0.448   4.706
   48    H    GLY   7           H        GLY   7  10.062   1.526   8.305
   49   1HA   GLY   7          1HA       GLY   7  11.683  -0.283   7.976
   50   2HA   GLY   7          2HA       GLY   7  10.316  -1.372   7.736
   51    H    SER   8           H        SER   8   9.950   1.774   6.385
   52    HA   SER   8           HA       SER   8  10.131   0.635   3.679
   53   1HB   SER   8          1HB       SER   8   9.334   3.403   3.706
   54   2HB   SER   8          2HB       SER   8   8.416   2.002   3.189
   55    HG   SER   8           HG       SER   8   7.291   2.629   4.892
   56    H    GLU   9           H        GLU   9  12.162   0.625   2.937
   57    HA   GLU   9           HA       GLU   9  14.166   2.611   3.568
   58   1HB   GLU   9          1HB       GLU   9  13.923   0.383   1.551
   59   2HB   GLU   9          2HB       GLU   9  15.308   1.476   1.534
   60   1HG   GLU   9          1HG       GLU   9  16.223   0.062   3.058
   61   2HG   GLU   9          2HG       GLU   9  15.112   0.804   4.210
   62    H    ASP  10           H        ASP  10  12.907   4.616   2.915
   63    HA   ASP  10           HA       ASP  10  12.241   6.255   1.340
   64   1HB   ASP  10          1HB       ASP  10  14.567   5.184  -0.271
   65   2HB   ASP  10          2HB       ASP  10  13.980   6.845  -0.182
   66    H    ILE  11           H        ILE  11  10.463   4.400   0.968
   67    HA   ILE  11           HA       ILE  11  10.542   2.866  -1.425
   68    HB   ILE  11           HB       ILE  11   8.006   3.950  -0.429
   69   1HG1  ILE  11          1HG1      ILE  11   9.058   3.441   1.677
   70   2HG1  ILE  11          2HG1      ILE  11   7.958   2.124   1.302
   71   1HG2  ILE  11          3HG2      ILE  11   8.640   2.107  -2.278
   72   2HG2  ILE  11          2HG2      ILE  11   8.427   1.085  -0.856
   73   3HG2  ILE  11          1HG2      ILE  11   7.111   2.126  -1.401
   74   1HD1  ILE  11          3HD1      ILE  11  10.146   1.167   0.096
   75   2HD1  ILE  11          2HD1      ILE  11  10.921   2.137   1.349
   76   3HD1  ILE  11          1HD1      ILE  11   9.781   0.866   1.794
   77    H    GLU  12           H        GLU  12   8.627   5.804  -0.812
   78    HA   GLU  12           HA       GLU  12   7.659   6.364  -3.277
   79   1HB   GLU  12          1HB       GLU  12   8.053   8.837  -2.765
   80   2HB   GLU  12          2HB       GLU  12   7.200   7.911  -1.530
   81   1HG   GLU  12          1HG       GLU  12   8.823   8.297  -0.018
   82   2HG   GLU  12          2HG       GLU  12  10.070   7.750  -1.138
   83    H    ASN  13           H        ASN  13  11.082   6.745  -2.429
   84    HA   ASN  13           HA       ASN  13  11.704   8.014  -5.005
   85   1HB   ASN  13          1HB       ASN  13  13.245   7.147  -2.592
   86   2HB   ASN  13          2HB       ASN  13  14.122   7.261  -4.118
   87   1HD2  ASN  13          2HD2      ASN  13  13.847  10.618  -2.224
   88   2HD2  ASN  13          1HD2      ASN  13  14.117   9.061  -1.606
   89    H    THR  14           H        THR  14  12.140   4.851  -3.476
   90    HA   THR  14           HA       THR  14  13.343   3.575  -5.765
   91    HB   THR  14           HB       THR  14  12.037   2.628  -3.203
   92    HG1  THR  14           HG1      THR  14  14.636   2.580  -4.323
   93   1HG2  THR  14          3HG2      THR  14  12.936   0.947  -5.548
   94   2HG2  THR  14          2HG2      THR  14  12.913   0.312  -3.903
   95   3HG2  THR  14          1HG2      THR  14  11.416   0.861  -4.658
   96    H    LEU  15           H        LEU  15  10.176   4.639  -5.205
   97    HA   LEU  15           HA       LEU  15   8.965   2.521  -6.873
   98   1HB   LEU  15          1HB       LEU  15   7.685   4.859  -5.426
   99   2HB   LEU  15          2HB       LEU  15   6.830   3.537  -6.216
  100    HG   LEU  15           HG       LEU  15   8.828   3.013  -4.027
  101   1HD1  LEU  15          1HD1      LEU  15   6.283   4.359  -3.800
  102   2HD1  LEU  15          3HD1      LEU  15   6.214   2.798  -2.986
  103   3HD1  LEU  15          2HD1      LEU  15   7.441   3.976  -2.533
  104   1HD2  LEU  15          1HD2      LEU  15   7.017   1.460  -5.676
  105   2HD2  LEU  15          3HD2      LEU  15   8.280   0.901  -4.577
  106   3HD2  LEU  15          2HD2      LEU  15   6.659   1.237  -3.961
  107    H    ALA  16           H        ALA  16  10.099   5.798  -7.016
  108    HA   ALA  16           HA       ALA  16   8.615   6.365  -9.508
  109   1HB   ALA  16          1HB       ALA  16   9.425   7.987  -7.463
  110   2HB   ALA  16          3HB       ALA  16  10.726   8.238  -8.627
  111   3HB   ALA  16          2HB       ALA  16   9.056   8.562  -9.089
  112    H    LYS  17           H        LYS  17  11.908   5.621  -8.432
  113    HA   LYS  17           HA       LYS  17  12.765   5.679 -11.297
  114   1HB   LYS  17          1HB       LYS  17  13.985   6.709  -8.956
  115   2HB   LYS  17          2HB       LYS  17  14.952   5.318  -9.445
  116   1HG   LYS  17          1HG       LYS  17  14.271   6.774 -11.807
  117   2HG   LYS  17          2HG       LYS  17  14.887   7.926 -10.623
  118   1HD   LYS  17          1HD       LYS  17  16.270   5.352 -11.433
  119   2HD   LYS  17          2HD       LYS  17  16.713   6.964 -11.994
  120   1HE   LYS  17          1HE       LYS  17  17.924   7.319 -10.134
  121   2HE   LYS  17          2HE       LYS  17  16.517   6.982  -9.123
  122   1HZ   LYS  17          2HZ       LYS  17  17.106   4.531  -9.791
  123   2HZ   LYS  17          1HZ       LYS  17  18.660   5.189  -9.990
  124   3HZ   LYS  17          3HZ       LYS  17  17.881   5.297  -8.488
  125    H    MET  18           H        MET  18  11.247   3.538 -10.626
  126    HA   MET  18           HA       MET  18  13.250   1.338 -10.501
  127   1HB   MET  18          1HB       MET  18  12.317   1.234  -8.340
  128   2HB   MET  18          2HB       MET  18  10.717   1.704  -8.904
  129   1HG   MET  18          2HG       MET  18  11.839  -0.845  -9.971
  130   2HG   MET  18          1HG       MET  18  11.323  -0.834  -8.284
  131   1HE   MET  18          3HE       MET  18   9.506   0.591  -7.630
  132   2HE   MET  18          2HE       MET  18   8.335   1.338  -8.713
  133   3HE   MET  18          1HE       MET  18   7.954  -0.198  -7.942
  134    H    ASP  19           H        ASP  19  13.013  -0.049 -12.202
  135    HA   ASP  19           HA       ASP  19  11.134   0.431 -14.291
  136   1HB   ASP  19          1HB       ASP  19  12.981  -1.843 -13.612
  137   2HB   ASP  19          2HB       ASP  19  11.821  -2.021 -14.929
  138    H    ASP  20           H        ASP  20  11.273  -2.598 -12.392
  139    HA   ASP  20           HA       ASP  20   8.492  -2.432 -11.597
  140   1HB   ASP  20          1HB       ASP  20   9.229  -3.855 -14.110
  141   2HB   ASP  20          2HB       ASP  20   8.074  -4.654 -13.043
  142    H    GLY  21           H        GLY  21  11.282  -4.543 -12.244
  143   1HA   GLY  21          1HA       GLY  21  10.453  -6.264  -9.959
  144   2HA   GLY  21          2HA       GLY  21  11.668  -6.690 -11.163
  145    H    GLN  22           H        GLN  22  11.232  -3.852  -9.020
  146    HA   GLN  22           HA       GLN  22  14.016  -4.350  -8.039
  147   1HB   GLN  22          1HB       GLN  22  13.186  -2.164  -9.513
  148   2HB   GLN  22          2HB       GLN  22  13.058  -1.580  -7.854
  149   1HG   GLN  22          1HG       GLN  22  15.402  -2.485  -7.474
  150   2HG   GLN  22          2HG       GLN  22  15.501  -2.734  -9.217
  151   1HE2  GLN  22          2HE2      GLN  22  15.363   0.858  -9.888
  152   2HE2  GLN  22          1HE2      GLN  22  14.690  -0.585 -10.476
  153    H    LEU  23           H        LEU  23  10.812  -3.022  -7.268
  154    HA   LEU  23           HA       LEU  23  11.514  -2.975  -4.400
  155   1HB   LEU  23          1HB       LEU  23   9.548  -1.725  -4.041
  156   2HB   LEU  23          2HB       LEU  23  10.112  -1.166  -5.609
  157    HG   LEU  23           HG       LEU  23   8.046  -3.370  -5.317
  158   1HD1  LEU  23          2HD1      LEU  23   7.530  -0.949  -4.355
  159   2HD1  LEU  23          1HD1      LEU  23   7.303  -0.574  -6.063
  160   3HD1  LEU  23          3HD1      LEU  23   6.328  -1.829  -5.299
  161   1HD2  LEU  23          2HD2      LEU  23   9.291  -1.826  -7.538
  162   2HD2  LEU  23          1HD2      LEU  23   8.694  -3.485  -7.521
  163   3HD2  LEU  23          3HD2      LEU  23   7.561  -2.143  -7.671
  164    H    ASP  24           H        ASP  24  10.563  -5.349  -6.487
  165    HA   ASP  24           HA       ASP  24   8.449  -6.611  -4.986
  166   1HB   ASP  24          1HB       ASP  24   9.000  -7.082  -7.399
  167   2HB   ASP  24          2HB       ASP  24  10.443  -7.935  -6.850
  168    H    GLY  25           H        GLY  25  11.708  -6.168  -4.211
  169   1HA   GLY  25          1HA       GLY  25  11.896  -8.719  -2.706
  170   2HA   GLY  25          2HA       GLY  25  13.227  -7.592  -2.979
  171    H    LEU  26           H        LEU  26  10.031  -6.591  -1.932
  172    HA   LEU  26           HA       LEU  26  11.228  -5.637   0.607
  173   1HB   LEU  26          1HB       LEU  26   8.650  -4.816  -0.779
  174   2HB   LEU  26          2HB       LEU  26   9.295  -4.101   0.695
  175    HG   LEU  26           HG       LEU  26  10.900  -4.148  -1.864
  176   1HD1  LEU  26          3HD1      LEU  26   8.862  -2.100  -0.931
  177   2HD1  LEU  26          2HD1      LEU  26  10.077  -1.774  -2.166
  178   3HD1  LEU  26          1HD1      LEU  26   8.843  -3.002  -2.445
  179   1HD2  LEU  26          3HD2      LEU  26  11.637  -3.522   0.669
  180   2HD2  LEU  26          2HD2      LEU  26  12.331  -2.741  -0.751
  181   3HD2  LEU  26          1HD2      LEU  26  11.028  -1.954   0.139
  182    H    ALA  27           H        ALA  27  10.073  -6.038   2.532
  183    HA   ALA  27           HA       ALA  27   8.337  -8.453   2.474
  184   1HB   ALA  27          1HB       ALA  27   9.688  -6.999   4.774
  185   2HB   ALA  27          3HB       ALA  27   8.683  -8.436   4.956
  186   3HB   ALA  27          2HB       ALA  27  10.199  -8.528   4.061
  187    H    PHE  28           H        PHE  28   7.567  -5.653   1.703
  188    HA   PHE  28           HA       PHE  28   5.023  -5.582   3.040
  189   1HB   PHE  28          1HB       PHE  28   5.258  -3.216   3.837
  190   2HB   PHE  28          2HB       PHE  28   6.289  -4.339   4.705
  191    HD1  PHE  28           HD2      PHE  28   8.652  -4.708   3.038
  192    HD2  PHE  28           HD1      PHE  28   6.330  -1.147   3.720
  193    HE1  PHE  28           HE2      PHE  28  10.611  -3.331   2.474
  194    HE2  PHE  28           HE1      PHE  28   8.315   0.211   3.153
  195    HZ   PHE  28           HZ       PHE  28  10.451  -0.868   2.533
  196    H    GLY  29           H        GLY  29   3.674  -5.138   1.512
  197   1HA   GLY  29          1HA       GLY  29   4.384  -4.540  -1.142
  198   2HA   GLY  29          2HA       GLY  29   2.763  -4.399  -0.480
  199    H    ALA  30           H        ALA  30   4.005  -2.666  -2.449
  200    HA   ALA  30           HA       ALA  30   3.753  -0.126  -0.911
  201   1HB   ALA  30          1HB       ALA  30   6.160  -0.688  -1.811
  202   2HB   ALA  30          3HB       ALA  30   5.478  -0.255  -3.379
  203   3HB   ALA  30          2HB       ALA  30   5.507   0.929  -2.074
  204    H    ILE  31           H        ILE  31   1.525  -0.220  -1.495
  205    HA   ILE  31           HA       ILE  31   0.852  -0.389  -4.336
  206    HB   ILE  31           HB       ILE  31  -1.394  -0.618  -3.678
  207   1HG1  ILE  31          1HG1      ILE  31  -1.998  -0.094  -1.202
  208   2HG1  ILE  31          2HG1      ILE  31  -0.588   0.964  -1.257
  209   1HG2  ILE  31          2HG2      ILE  31   0.026  -2.443  -2.808
  210   2HG2  ILE  31          1HG2      ILE  31   0.192  -1.583  -1.290
  211   3HG2  ILE  31          3HG2      ILE  31  -1.384  -2.170  -1.797
  212   1HD1  ILE  31          1HD1      ILE  31  -2.297   1.278  -3.606
  213   2HD1  ILE  31          3HD1      ILE  31  -3.158   1.623  -2.105
  214   3HD1  ILE  31          2HD1      ILE  31  -1.684   2.507  -2.500
  215    H    GLN  32           H        GLN  32   0.012   1.225  -5.586
  216    HA   GLN  32           HA       GLN  32   0.280   3.995  -4.496
  217   1HB   GLN  32          1HB       GLN  32   0.443   3.136  -7.394
  218   2HB   GLN  32          2HB       GLN  32   0.882   4.706  -6.722
  219   1HG   GLN  32          1HG       GLN  32   2.260   2.075  -6.099
  220   2HG   GLN  32          2HG       GLN  32   2.893   3.337  -7.156
  221   1HE2  GLN  32          2HE2      GLN  32   3.675   5.559  -4.433
  222   2HE2  GLN  32          1HE2      GLN  32   3.230   5.540  -6.071
  223    H    LEU  33           H        LEU  33  -1.359   5.532  -5.402
  224    HA   LEU  33           HA       LEU  33  -3.711   4.262  -6.667
  225   1HB   LEU  33          1HB       LEU  33  -3.736   5.505  -3.901
  226   2HB   LEU  33          2HB       LEU  33  -5.198   5.280  -4.859
  227    HG   LEU  33           HG       LEU  33  -3.273   3.066  -4.101
  228   1HD1  LEU  33          1HD1      LEU  33  -5.639   4.236  -2.769
  229   2HD1  LEU  33          3HD1      LEU  33  -5.643   2.477  -2.891
  230   3HD1  LEU  33          2HD1      LEU  33  -4.309   3.303  -2.084
  231   1HD2  LEU  33          1HD2      LEU  33  -5.281   3.265  -6.111
  232   2HD2  LEU  33          3HD2      LEU  33  -4.367   1.834  -5.636
  233   3HD2  LEU  33          2HD2      LEU  33  -5.902   2.203  -4.849
  234    H    ASP  34           H        ASP  34  -5.094   5.844  -7.656
  235    HA   ASP  34           HA       ASP  34  -4.162   8.663  -7.407
  236   1HB   ASP  34          1HB       ASP  34  -4.422   8.994  -9.827
  237   2HB   ASP  34          2HB       ASP  34  -3.205   7.769  -9.477
  238    H    GLY  35           H        GLY  35  -5.728   9.936  -6.909
  239   1HA   GLY  35          1HA       GLY  35  -7.813  10.758  -6.310
  240   2HA   GLY  35          2HA       GLY  35  -8.127  10.518  -8.022
  241    H    ASP  36           H        ASP  36  -8.995   8.420  -8.628
  242    HA   ASP  36           HA       ASP  36 -11.223   7.688  -6.952
  243   1HB   ASP  36          1HB       ASP  36 -10.143   6.833  -9.591
  244   2HB   ASP  36          2HB       ASP  36 -11.213   5.701  -8.765
  245    H    GLY  37           H        GLY  37  -7.998   6.782  -6.763
  246   1HA   GLY  37          1HA       GLY  37  -7.089   5.298  -5.160
  247   2HA   GLY  37          2HA       GLY  37  -8.684   4.576  -4.957
  248    H    ASN  38           H        ASN  38  -7.441   5.094  -8.182
  249    HA   ASN  38           HA       ASN  38  -7.554   2.194  -8.663
  250   1HB   ASN  38          1HB       ASN  38  -6.505   4.323 -10.553
  251   2HB   ASN  38          2HB       ASN  38  -7.103   2.718 -10.971
  252   1HD2  ASN  38          2HD2      ASN  38 -10.343   3.993 -11.432
  253   2HD2  ASN  38          1HD2      ASN  38  -9.114   2.946 -11.957
  254    H    ILE  39           H        ILE  39  -5.815   0.818  -8.653
  255    HA   ILE  39           HA       ILE  39  -3.430   1.574  -7.362
  256    HB   ILE  39           HB       ILE  39  -4.510  -0.822  -8.088
  257   1HG1  ILE  39          1HG1      ILE  39  -2.228  -1.771  -7.346
  258   2HG1  ILE  39          2HG1      ILE  39  -1.706  -0.090  -7.236
  259   1HG2  ILE  39          3HG2      ILE  39  -3.647  -0.524 -10.440
  260   2HG2  ILE  39          2HG2      ILE  39  -2.015  -0.622  -9.778
  261   3HG2  ILE  39          1HG2      ILE  39  -3.109  -1.997  -9.633
  262   1HD1  ILE  39          2HD1      ILE  39  -4.304  -0.552  -5.962
  263   2HD1  ILE  39          1HD1      ILE  39  -3.006  -1.500  -5.234
  264   3HD1  ILE  39          3HD1      ILE  39  -2.872   0.256  -5.327
  265    H    LEU  40           H        LEU  40  -1.495   2.330  -7.985
  266    HA   LEU  40           HA       LEU  40  -1.096   2.891 -10.894
  267   1HB   LEU  40          1HB       LEU  40   0.595   4.293  -8.872
  268   2HB   LEU  40          2HB       LEU  40  -0.056   4.887 -10.393
  269    HG   LEU  40           HG       LEU  40  -1.795   4.367  -7.969
  270   1HD1  LEU  40          1HD1      LEU  40  -0.086   6.693  -8.707
  271   2HD1  LEU  40          3HD1      LEU  40  -1.701   7.040  -8.090
  272   3HD1  LEU  40          2HD1      LEU  40  -0.565   6.110  -7.113
  273   1HD2  LEU  40          3HD2      LEU  40  -2.671   4.520 -10.420
  274   2HD2  LEU  40          2HD2      LEU  40  -3.471   5.487  -9.180
  275   3HD2  LEU  40          1HD2      LEU  40  -2.308   6.240 -10.272
  276    H    GLN  41           H        GLN  41   0.117   1.341  -8.024
  277    HA   GLN  41           HA       GLN  41   1.968  -0.275  -9.528
  278   1HB   GLN  41          1HB       GLN  41   3.090   2.111  -9.063
  279   2HB   GLN  41          2HB       GLN  41   3.429   1.367  -7.501
  280   1HG   GLN  41          1HG       GLN  41   4.233   0.316 -10.231
  281   2HG   GLN  41          2HG       GLN  41   5.308   0.912  -8.966
  282   1HE2  GLN  41          2HE2      GLN  41   3.708  -2.848  -8.669
  283   2HE2  GLN  41          1HE2      GLN  41   3.150  -1.769  -9.851
  284    H    TYR  42           H        TYR  42   1.555  -2.181  -8.484
  285    HA   TYR  42           HA       TYR  42   1.043  -2.170  -5.556
  286   1HB   TYR  42          1HB       TYR  42  -0.483  -3.288  -7.294
  287   2HB   TYR  42          2HB       TYR  42   0.772  -4.512  -7.452
  288    HD1  TYR  42           HD1      TYR  42  -0.954  -2.668  -4.682
  289    HD2  TYR  42           HD2      TYR  42   0.462  -6.428  -6.176
  290    HE1  TYR  42           HE1      TYR  42  -1.813  -3.790  -2.643
  291    HE2  TYR  42           HE2      TYR  42  -0.407  -7.561  -4.153
  292    HH   TYR  42           HH       TYR  42  -1.305  -7.291  -2.119
  293    H    ASN  43           H        ASN  43   2.667  -4.474  -7.734
  294    HA   ASN  43           HA       ASN  43   4.970  -5.164  -7.651
  295   1HB   ASN  43          1HB       ASN  43   6.397  -4.841  -5.853
  296   2HB   ASN  43          2HB       ASN  43   5.310  -3.472  -5.658
  297   1HD2  ASN  43          2HD2      ASN  43   5.690  -5.307  -2.382
  298   2HD2  ASN  43          1HD2      ASN  43   6.808  -4.645  -3.474
  299    H    ALA  44           H        ALA  44   5.939  -7.208  -6.311
  300    HA   ALA  44           HA       ALA  44   3.669  -9.116  -6.323
  301   1HB   ALA  44          3HB       ALA  44   6.266  -9.203  -7.352
  302   2HB   ALA  44          2HB       ALA  44   6.274 -10.340  -6.004
  303   3HB   ALA  44          1HB       ALA  44   5.103 -10.527  -7.309
  304    H    ALA  45           H        ALA  45   5.989  -7.838  -3.989
  305    HA   ALA  45           HA       ALA  45   6.038  -9.904  -2.087
  306   1HB   ALA  45          3HB       ALA  45   6.928  -7.336  -2.081
  307   2HB   ALA  45          2HB       ALA  45   5.562  -7.192  -0.976
  308   3HB   ALA  45          1HB       ALA  45   6.859  -8.335  -0.629
  309    H    GLU  46           H        GLU  46   3.819  -7.184  -1.910
  310    HA   GLU  46           HA       GLU  46   2.095  -8.282   0.045
  311   1HB   GLU  46          1HB       GLU  46   0.331  -6.737  -1.298
  312   2HB   GLU  46          2HB       GLU  46   1.523  -6.086  -0.199
  313   1HG   GLU  46          1HG       GLU  46   3.039  -5.638  -2.066
  314   2HG   GLU  46          2HG       GLU  46   1.875  -6.327  -3.192
  315    HE1  GLU  46           HE1      GLU  46   0.858  -4.024  -0.550
  316    H    GLY  47           H        GLY  47   1.601  -8.173  -3.461
  317   1HA   GLY  47          1HA       GLY  47  -0.778  -9.736  -3.496
  318   2HA   GLY  47          2HA       GLY  47   0.351  -9.609  -4.854
  319    H    ASP  48           H        ASP  48   2.446 -10.703  -2.738
  320    HA   ASP  48           HA       ASP  48   2.162 -13.474  -3.585
  321   1HB   ASP  48          1HB       ASP  48   4.381 -12.350  -3.253
  322   2HB   ASP  48          2HB       ASP  48   4.048 -12.293  -1.521
  323    H    ILE  49           H        ILE  49   1.698 -11.646  -0.583
  324    HA   ILE  49           HA       ILE  49   0.954 -14.043   0.909
  325    HB   ILE  49           HB       ILE  49   1.705 -11.352   1.475
  326   1HG1  ILE  49          1HG1      ILE  49   2.064 -12.397   3.768
  327   2HG1  ILE  49          2HG1      ILE  49   1.401 -13.880   3.082
  328   1HG2  ILE  49          1HG2      ILE  49  -0.874 -12.250   2.739
  329   2HG2  ILE  49          3HG2      ILE  49   0.229 -11.161   3.583
  330   3HG2  ILE  49          2HG2      ILE  49  -0.476 -10.680   2.042
  331   1HD1  ILE  49          1HD1      ILE  49   3.263 -13.067   1.186
  332   2HD1  ILE  49          3HD1      ILE  49   4.047 -12.691   2.720
  333   3HD1  ILE  49          2HD1      ILE  49   3.503 -14.336   2.387
  334    H    THR  50           H        THR  50  -0.778 -11.053  -0.022
  335    HA   THR  50           HA       THR  50  -3.380 -12.195   0.603
  336    HB   THR  50           HB       THR  50  -4.289 -10.122  -0.231
  337    HG1  THR  50           HG1      THR  50  -3.410  -9.296  -1.923
  338   1HG2  THR  50          2HG2      THR  50  -2.300 -10.229   1.702
  339   2HG2  THR  50          1HG2      THR  50  -1.814  -8.880   0.675
  340   3HG2  THR  50          3HG2      THR  50  -3.407  -8.889   1.430
  341    H    GLY  51           H        GLY  51  -1.342 -12.098  -2.215
  342   1HA   GLY  51          1HA       GLY  51  -1.658 -13.580  -4.089
  343   2HA   GLY  51          2HA       GLY  51  -3.364 -13.674  -3.670
  344    H    ARG  52           H        ARG  52  -3.122 -10.576  -3.305
  345    HA   ARG  52           HA       ARG  52  -4.396  -9.736  -5.642
  346   1HB   ARG  52          1HB       ARG  52  -2.665  -8.282  -3.652
  347   2HB   ARG  52          2HB       ARG  52  -3.342  -7.434  -5.038
  348   1HG   ARG  52          1HG       ARG  52  -5.536  -7.695  -4.292
  349   2HG   ARG  52          2HG       ARG  52  -5.143  -9.128  -3.349
  350   1HD   ARG  52          1HD       ARG  52  -5.171  -7.741  -1.571
  351   2HD   ARG  52          2HD       ARG  52  -3.588  -7.245  -2.141
  352    HE   ARG  52           HE       ARG  52  -5.937  -5.584  -2.098
  353   1HH1  ARG  52          2HH1      ARG  52  -4.787  -6.146  -5.058
  354   2HH1  ARG  52          1HH1      ARG  52  -3.909  -4.672  -5.258
  355   1HH2  ARG  52          1HH2      ARG  52  -4.057  -3.805  -1.921
  356   2HH2  ARG  52          2HH2      ARG  52  -3.519  -3.343  -3.499
  357    H    ASP  53           H        ASP  53  -3.410 -10.565  -7.527
  358    HA   ASP  53           HA       ASP  53  -0.615 -10.310  -8.129
  359   1HB   ASP  53          1HB       ASP  53  -3.076 -10.714  -9.839
  360   2HB   ASP  53          2HB       ASP  53  -1.468 -10.572 -10.551
  361    HA   PRO  54           HA       PRO  54  -0.422  -6.083  -9.337
  362   1HB   PRO  54          1HB       PRO  54   1.505  -6.172 -11.294
  363   2HB   PRO  54          2HB       PRO  54   1.857  -6.332  -9.564
  364   1HG   PRO  54          1HG       PRO  54   1.830  -8.437 -11.674
  365   2HG   PRO  54          2HG       PRO  54   2.731  -8.388 -10.151
  366   1HD   PRO  54          1HD       PRO  54   0.367  -9.872 -10.636
  367   2HD   PRO  54          2HD       PRO  54   1.099  -9.559  -9.047
  368    H    LYS  55           H        LYS  55  -0.122  -8.035 -12.340
  369    HA   LYS  55           HA       LYS  55  -1.361  -6.098 -14.019
  370   1HB   LYS  55          1HB       LYS  55  -1.207  -9.108 -14.362
  371   2HB   LYS  55          2HB       LYS  55  -1.596  -7.954 -15.638
  372   1HG   LYS  55          1HG       LYS  55   0.743  -6.922 -14.587
  373   2HG   LYS  55          2HG       LYS  55   1.013  -8.663 -14.497
  374   1HD   LYS  55          1HD       LYS  55   1.626  -8.465 -16.677
  375   2HD   LYS  55          2HD       LYS  55  -0.110  -8.415 -16.986
  376   1HE   LYS  55          1HE       LYS  55   0.283  -5.822 -16.394
  377   2HE   LYS  55          2HE       LYS  55   1.887  -6.206 -17.017
  378   1HZ   LYS  55          3HZ       LYS  55  -0.442  -7.134 -18.528
  379   2HZ   LYS  55          2HZ       LYS  55  -0.053  -5.483 -18.603
  380   3HZ   LYS  55          1HZ       LYS  55   1.085  -6.649 -19.084
  381    H    GLN  56           H        GLN  56  -2.725  -8.342 -11.764
  382    HA   GLN  56           HA       GLN  56  -5.371  -8.266 -13.061
  383   1HB   GLN  56          1HB       GLN  56  -4.436 -10.295 -11.817
  384   2HB   GLN  56          2HB       GLN  56  -4.717  -9.390 -10.328
  385   1HG   GLN  56          1HG       GLN  56  -7.119  -9.045 -11.497
  386   2HG   GLN  56          2HG       GLN  56  -6.680 -10.597 -12.211
  387   1HE2  GLN  56          2HE2      GLN  56  -7.901 -10.484  -8.386
  388   2HE2  GLN  56          1HE2      GLN  56  -8.023  -9.153  -9.431
  389    H    VAL  57           H        VAL  57  -3.812  -6.980 -10.129
  390    HA   VAL  57           HA       VAL  57  -6.247  -5.584  -9.302
  391    HB   VAL  57           HB       VAL  57  -4.842  -4.621  -7.549
  392   1HG1  VAL  57          2HG1      VAL  57  -4.773  -7.528  -8.189
  393   2HG1  VAL  57          1HG1      VAL  57  -3.737  -6.970  -6.876
  394   3HG1  VAL  57          3HG1      VAL  57  -5.478  -6.698  -6.803
  395   1HG2  VAL  57          3HG2      VAL  57  -2.701  -5.478  -9.428
  396   2HG2  VAL  57          2HG2      VAL  57  -2.743  -4.102  -8.326
  397   3HG2  VAL  57          1HG2      VAL  57  -2.360  -5.710  -7.713
  398    H    ILE  58           H        ILE  58  -4.165  -5.039 -11.814
  399    HA   ILE  58           HA       ILE  58  -3.741  -2.208 -11.499
  400    HB   ILE  58           HB       ILE  58  -3.203  -4.275 -13.535
  401   1HG1  ILE  58          1HG1      ILE  58  -1.784  -1.662 -13.059
  402   2HG1  ILE  58          2HG1      ILE  58  -1.678  -2.982 -11.893
  403   1HG2  ILE  58          1HG2      ILE  58  -4.060  -1.505 -14.370
  404   2HG2  ILE  58          3HG2      ILE  58  -2.781  -2.333 -15.259
  405   3HG2  ILE  58          2HG2      ILE  58  -4.389  -3.050 -15.154
  406   1HD1  ILE  58          1HD1      ILE  58  -1.267  -4.120 -14.467
  407   2HD1  ILE  58          3HD1      ILE  58  -0.258  -2.676 -14.375
  408   3HD1  ILE  58          2HD1      ILE  58  -0.089  -3.948 -13.165
  409    H    GLY  59           H        GLY  59  -5.219  -0.687 -11.653
  410   1HA   GLY  59          1HA       GLY  59  -7.036   0.500 -12.694
  411   2HA   GLY  59          2HA       GLY  59  -7.474  -0.977 -13.553
  412    H    LYS  60           H        LYS  60  -7.069  -2.324 -10.732
  413    HA   LYS  60           HA       LYS  60  -9.899  -2.180 -10.026
  414   1HB   LYS  60          1HB       LYS  60  -7.668  -3.552  -8.493
  415   2HB   LYS  60          2HB       LYS  60  -9.394  -3.903  -8.407
  416   1HG   LYS  60          1HG       LYS  60  -7.612  -4.299 -10.831
  417   2HG   LYS  60          2HG       LYS  60  -8.272  -5.573  -9.805
  418   1HD   LYS  60          1HD       LYS  60 -10.577  -4.791 -10.400
  419   2HD   LYS  60          2HD       LYS  60  -9.854  -3.644 -11.529
  420   1HE   LYS  60          1HE       LYS  60  -8.663  -6.166 -12.054
  421   2HE   LYS  60          2HE       LYS  60 -10.400  -6.441 -11.926
  422   1HZ   LYS  60          2HZ       LYS  60  -9.413  -4.152 -13.481
  423   2HZ   LYS  60          1HZ       LYS  60  -9.365  -5.704 -14.171
  424   3HZ   LYS  60          3HZ       LYS  60 -10.846  -5.045 -13.670
  425    H    ASN  61           H        ASN  61 -10.782  -1.062  -8.318
  426    HA   ASN  61           HA       ASN  61  -9.158   1.001  -7.050
  427   1HB   ASN  61          1HB       ASN  61 -12.038   0.210  -7.050
  428   2HB   ASN  61          2HB       ASN  61 -11.453   1.121  -5.656
  429   1HD2  ASN  61          2HD2      ASN  61 -10.749   3.039  -9.211
  430   2HD2  ASN  61          1HD2      ASN  61 -10.262   1.425  -9.016
  431    H    PHE  62           H        PHE  62  -7.678   0.202  -5.610
  432    HA   PHE  62           HA       PHE  62  -7.968  -2.170  -4.061
  433   1HB   PHE  62          1HB       PHE  62  -5.775  -1.312  -4.277
  434   2HB   PHE  62          2HB       PHE  62  -6.258   0.301  -3.754
  435    HD1  PHE  62           HD1      PHE  62  -6.211  -3.230  -2.543
  436    HD2  PHE  62           HD2      PHE  62  -5.911   0.916  -1.508
  437    HE1  PHE  62           HE1      PHE  62  -5.690  -3.853  -0.222
  438    HE2  PHE  62           HE2      PHE  62  -5.342   0.298   0.826
  439    HZ   PHE  62           HZ       PHE  62  -5.244  -2.097   1.478
  440    H    PHE  63           H        PHE  63  -9.442   0.914  -3.566
  441    HA   PHE  63           HA       PHE  63  -9.715   0.417  -0.684
  442   1HB   PHE  63          1HB       PHE  63 -10.088   2.725  -2.469
  443   2HB   PHE  63          2HB       PHE  63 -11.276   2.615  -1.167
  444    HD1  PHE  63           HD2      PHE  63 -10.465   2.315   1.219
  445    HD2  PHE  63           HD1      PHE  63  -7.842   3.348  -2.020
  446    HE1  PHE  63           HE2      PHE  63  -8.760   3.082   2.849
  447    HE2  PHE  63           HE1      PHE  63  -6.132   4.116  -0.391
  448    HZ   PHE  63           HZ       PHE  63  -6.593   3.982   2.044
  449    H    LYS  64           H        LYS  64 -11.164  -1.106  -3.018
  450    HA   LYS  64           HA       LYS  64 -13.521  -1.727  -1.514
  451   1HB   LYS  64          1HB       LYS  64 -14.162   0.562  -2.318
  452   2HB   LYS  64          2HB       LYS  64 -14.041  -0.035  -3.973
  453   1HG   LYS  64          1HG       LYS  64 -16.370  -0.147  -3.240
  454   2HG   LYS  64          2HG       LYS  64 -15.736  -1.780  -3.440
  455   1HD   LYS  64          1HD       LYS  64 -15.723  -2.204  -1.174
  456   2HD   LYS  64          2HD       LYS  64 -15.465  -0.512  -0.750
  457   1HE   LYS  64          1HE       LYS  64 -17.739   0.040  -1.079
  458   2HE   LYS  64          2HE       LYS  64 -18.049  -1.425  -2.011
  459   1HZ   LYS  64          2HZ       LYS  64 -17.256  -2.508   0.253
  460   2HZ   LYS  64          1HZ       LYS  64 -17.883  -1.057   0.876
  461   3HZ   LYS  64          3HZ       LYS  64 -18.878  -2.088  -0.031
  462    H    ASP  65           H        ASP  65 -12.489  -1.437  -4.928
  463    HA   ASP  65           HA       ASP  65 -13.824  -3.867  -5.714
  464   1HB   ASP  65          1HB       ASP  65 -11.623  -2.260  -7.032
  465   2HB   ASP  65          2HB       ASP  65 -12.443  -3.622  -7.797
  466    H    VAL  66           H        VAL  66 -11.000  -3.446  -3.856
  467    HA   VAL  66           HA       VAL  66 -10.086  -6.177  -4.669
  468    HB   VAL  66           HB       VAL  66  -8.351  -4.008  -3.493
  469   1HG1  VAL  66          1HG1      VAL  66  -7.889  -6.672  -4.828
  470   2HG1  VAL  66          3HG1      VAL  66  -6.606  -5.483  -4.646
  471   3HG1  VAL  66          2HG1      VAL  66  -7.386  -6.156  -3.219
  472   1HG2  VAL  66          3HG2      VAL  66  -9.392  -3.463  -5.802
  473   2HG2  VAL  66          2HG2      VAL  66  -7.643  -3.332  -5.623
  474   3HG2  VAL  66          1HG2      VAL  66  -8.346  -4.747  -6.407
  475    H    ALA  67           H        ALA  67  -9.672  -3.785  -2.114
  476    HA   ALA  67           HA       ALA  67  -9.899  -5.948  -0.089
  477   1HB   ALA  67          1HB       ALA  67  -7.806  -4.631  -0.188
  478   2HB   ALA  67          3HB       ALA  67  -8.741  -3.163   0.093
  479   3HB   ALA  67          2HB       ALA  67  -8.657  -4.407   1.342
  480    HA   PRO  68           HA       PRO  68 -13.819  -3.727   0.516
  481   1HB   PRO  68          1HB       PRO  68 -15.072  -5.802   1.813
  482   2HB   PRO  68          2HB       PRO  68 -14.986  -5.649   0.050
  483   1HG   PRO  68          1HG       PRO  68 -13.467  -7.479   1.852
  484   2HG   PRO  68          2HG       PRO  68 -13.919  -7.698   0.154
  485   1HD   PRO  68          1HD       PRO  68 -11.361  -6.949   1.086
  486   2HD   PRO  68          2HD       PRO  68 -11.939  -6.808  -0.588
  487    H    CYS  69           H        CYS  69 -11.367  -4.383   2.609
  488    HA   CYS  69           HA       CYS  69 -12.982  -3.674   5.008
  489   1HB   CYS  69          1HB       CYS  69 -11.356  -4.729   6.351
  490   2HB   CYS  69          2HB       CYS  69 -11.451  -5.780   4.941
  491    H    THR  70           H        THR  70 -10.577  -2.504   2.806
  492    HA   THR  70           HA       THR  70  -9.474  -0.506   4.617
  493    HB   THR  70           HB       THR  70  -8.267   0.303   2.699
  494    HG1  THR  70           HG1      THR  70  -9.626  -1.392   0.976
  495   1HG2  THR  70          2HG2      THR  70  -8.321  -2.424   3.491
  496   2HG2  THR  70          1HG2      THR  70  -8.075  -2.384   1.745
  497   3HG2  THR  70          3HG2      THR  70  -6.967  -1.522   2.810
  498    H    ASP  71           H        ASP  71 -12.471  -0.724   3.179
  499    HA   ASP  71           HA       ASP  71 -12.713   2.155   2.576
  500   1HB   ASP  71          1HB       ASP  71 -15.118   1.539   2.101
  501   2HB   ASP  71          2HB       ASP  71 -13.943   0.669   1.115
  502    H    SER  72           H        SER  72 -11.963   2.066   5.112
  503    HA   SER  72           HA       SER  72 -14.480   2.489   6.668
  504   1HB   SER  72          1HB       SER  72 -12.247   1.966   8.401
  505   2HB   SER  72          2HB       SER  72 -13.746   1.056   8.242
  506    HG   SER  72           HG       SER  72 -12.810  -0.108   6.564
  507    HA   PRO  73           HA       PRO  73 -12.889   6.451   7.726
  508   1HB   PRO  73          1HB       PRO  73 -13.370   6.670  10.424
  509   2HB   PRO  73          2HB       PRO  73 -14.639   6.747   9.189
  510   1HG   PRO  73          1HG       PRO  73 -13.981   4.528  11.067
  511   2HG   PRO  73          2HG       PRO  73 -15.526   4.927  10.298
  512   1HD   PRO  73          1HD       PRO  73 -13.753   2.873   9.492
  513   2HD   PRO  73          2HD       PRO  73 -15.125   3.496   8.552
  514    H    GLU  74           H        GLU  74 -11.261   3.749   8.914
  515    HA   GLU  74           HA       GLU  74  -9.194   5.417  10.229
  516   1HB   GLU  74          1HB       GLU  74  -9.459   2.412  10.320
  517   2HB   GLU  74          2HB       GLU  74  -8.420   3.423  11.326
  518   1HG   GLU  74          1HG       GLU  74 -10.451   4.529  12.258
  519   2HG   GLU  74          2HG       GLU  74 -11.454   3.429  11.315
  520    H    PHE  75           H        PHE  75  -9.846   3.316   7.542
  521    HA   PHE  75           HA       PHE  75  -6.963   3.373   6.755
  522   1HB   PHE  75          1HB       PHE  75  -8.576   1.233   6.714
  523   2HB   PHE  75          2HB       PHE  75  -9.024   1.907   5.146
  524    HD1  PHE  75           HD2      PHE  75  -7.000   2.698   3.640
  525    HD2  PHE  75           HD1      PHE  75  -6.689  -0.154   6.840
  526    HE1  PHE  75           HE2      PHE  75  -4.898   1.824   2.660
  527    HE2  PHE  75           HE1      PHE  75  -4.578  -1.022   5.857
  528    HZ   PHE  75           HZ       PHE  75  -3.688  -0.035   3.767
  529    H    TYR  76           H        TYR  76 -10.068   3.505   4.951
  530    HA   TYR  76           HA       TYR  76  -8.947   5.357   3.021
  531   1HB   TYR  76          1HB       TYR  76 -10.891   3.754   2.591
  532   2HB   TYR  76          2HB       TYR  76 -11.893   4.868   3.522
  533    HD1  TYR  76           HD2      TYR  76  -9.160   5.332   0.980
  534    HD2  TYR  76           HD1      TYR  76 -13.210   6.191   2.126
  535    HE1  TYR  76           HE2      TYR  76  -9.413   6.780  -1.017
  536    HE2  TYR  76           HE1      TYR  76 -13.463   7.644   0.132
  537    HH   TYR  76           HH       TYR  76 -11.821   8.996  -1.375
  538    H    GLY  77           H        GLY  77 -10.313   5.651   6.160
  539   1HA   GLY  77          1HA       GLY  77 -11.426   8.278   6.014
  540   2HA   GLY  77          2HA       GLY  77 -10.815   7.515   7.472
  541    H    LYS  78           H        LYS  78  -8.255   7.281   7.329
  542    HA   LYS  78           HA       LYS  78  -7.235   9.957   7.412
  543   1HB   LYS  78          1HB       LYS  78  -5.451   7.555   7.070
  544   2HB   LYS  78          2HB       LYS  78  -5.167   9.015   8.015
  545   1HG   LYS  78          1HG       LYS  78  -6.902   6.649   8.668
  546   2HG   LYS  78          2HG       LYS  78  -5.705   7.452   9.678
  547   1HD   LYS  78          1HD       LYS  78  -7.455   9.495   9.304
  548   2HD   LYS  78          2HD       LYS  78  -8.563   8.126   9.212
  549   1HE   LYS  78          1HE       LYS  78  -8.566   8.458  11.503
  550   2HE   LYS  78          2HE       LYS  78  -7.205   7.344  11.373
  551   1HZ   LYS  78          2HZ       LYS  78  -6.474  10.094  10.971
  552   2HZ   LYS  78          1HZ       LYS  78  -7.123   9.798  12.513
  553   3HZ   LYS  78          3HZ       LYS  78  -5.773   8.921  11.980
  554    H    PHE  79           H        PHE  79  -7.735   7.826   4.797
  555    HA   PHE  79           HA       PHE  79  -5.709   8.965   3.071
  556   1HB   PHE  79          1HB       PHE  79  -6.445   6.698   2.679
  557   2HB   PHE  79          2HB       PHE  79  -8.120   7.225   2.581
  558    HD1  PHE  79           HD1      PHE  79  -8.782   8.821   0.678
  559    HD2  PHE  79           HD2      PHE  79  -5.062   6.653   0.720
  560    HE1  PHE  79           HE1      PHE  79  -8.566   9.117  -1.784
  561    HE2  PHE  79           HE2      PHE  79  -4.889   6.931  -1.712
  562    HZ   PHE  79           HZ       PHE  79  -6.608   8.161  -2.964
  563    H    LYS  80           H        LYS  80  -9.162   9.406   3.645
  564    HA   LYS  80           HA       LYS  80  -9.443  11.347   1.538
  565   1HB   LYS  80          1HB       LYS  80 -11.176  10.130   3.600
  566   2HB   LYS  80          2HB       LYS  80 -11.593  11.782   3.141
  567   1HG   LYS  80          1HG       LYS  80 -10.966   9.923   0.909
  568   2HG   LYS  80          2HG       LYS  80 -12.471   9.617   1.777
  569   1HD   LYS  80          1HD       LYS  80 -12.285  12.429   1.373
  570   2HD   LYS  80          2HD       LYS  80 -11.925  11.652  -0.169
  571   1HE   LYS  80          1HE       LYS  80 -14.165  10.386   1.225
  572   2HE   LYS  80          2HE       LYS  80 -14.464  12.087   0.865
  573   1HZ   LYS  80          3HZ       LYS  80 -13.355  11.228  -1.419
  574   2HZ   LYS  80          2HZ       LYS  80 -14.199   9.837  -0.929
  575   3HZ   LYS  80          1HZ       LYS  80 -15.026  11.306  -1.141
  576    H    GLU  81           H        GLU  81  -8.053  11.344   4.593
  577    HA   GLU  81           HA       GLU  81  -8.664  14.215   5.108
  578   1HB   GLU  81          1HB       GLU  81  -6.907  12.388   6.768
  579   2HB   GLU  81          2HB       GLU  81  -7.691  13.886   7.273
  580   1HG   GLU  81          1HG       GLU  81  -9.714  12.139   6.269
  581   2HG   GLU  81          2HG       GLU  81  -8.724  11.224   7.406
  582    H    GLY  82           H        GLY  82  -6.027  12.006   4.400
  583   1HA   GLY  82          1HA       GLY  82  -3.932  13.995   4.368
  584   2HA   GLY  82          2HA       GLY  82  -3.843  12.398   3.611
  585    H    VAL  83           H        VAL  83  -6.080  12.578   1.943
  586    HA   VAL  83           HA       VAL  83  -5.023  13.874  -0.366
  587    HB   VAL  83           HB       VAL  83  -7.908  13.145   0.240
  588   1HG1  VAL  83          1HG1      VAL  83  -6.654  14.448  -2.006
  589   2HG1  VAL  83          3HG1      VAL  83  -7.287  12.879  -2.505
  590   3HG1  VAL  83          2HG1      VAL  83  -8.358  14.063  -1.760
  591   1HG2  VAL  83          2HG2      VAL  83  -5.745  11.441   0.109
  592   2HG2  VAL  83          1HG2      VAL  83  -7.412  10.986  -0.241
  593   3HG2  VAL  83          3HG2      VAL  83  -6.329  11.434  -1.553
  594    H    ALA  84           H        ALA  84  -7.453  14.935   2.008
  595    HA   ALA  84           HA       ALA  84  -7.793  17.506   0.604
  596   1HB   ALA  84          1HB       ALA  84  -9.161  16.046   2.790
  597   2HB   ALA  84          3HB       ALA  84  -9.173  17.804   2.922
  598   3HB   ALA  84          2HB       ALA  84  -9.840  17.024   1.489
  599    H    SER  85           H        SER  85  -5.563  16.301   2.825
  600    HA   SER  85           HA       SER  85  -5.269  18.930   4.187
  601   1HB   SER  85          1HB       SER  85  -3.936  17.817   5.805
  602   2HB   SER  85          2HB       SER  85  -5.246  16.694   5.454
  603    HG   SER  85           HG       SER  85  -2.649  16.293   5.217
  604    H    GLY  86           H        GLY  86  -3.871  17.017   1.673
  605   1HA   GLY  86          1HA       GLY  86  -2.190  17.667   0.143
  606   2HA   GLY  86          2HA       GLY  86  -1.953  19.141   1.089
  607    H    ASN  87           H        ASN  87  -1.910  16.227   2.921
  608    HA   ASN  87           HA       ASN  87   0.984  15.812   2.650
  609   1HB   ASN  87          1HB       ASN  87  -0.249  16.929   5.186
  610   2HB   ASN  87          2HB       ASN  87   1.376  16.249   5.094
  611   1HD2  ASN  87          2HD2      ASN  87   2.571  18.971   2.975
  612   2HD2  ASN  87          1HD2      ASN  87   2.688  17.282   3.099
  613    H    LEU  88           H        LEU  88  -0.716  13.913   2.024
  614    HA   LEU  88           HA       LEU  88  -1.876  12.318   4.053
  615   1HB   LEU  88          1HB       LEU  88  -1.840  12.117   1.394
  616   2HB   LEU  88          2HB       LEU  88  -0.556  10.960   1.747
  617    HG   LEU  88           HG       LEU  88  -2.827  10.617   3.534
  618   1HD1  LEU  88          2HD1      LEU  88  -3.815  11.503   1.260
  619   2HD1  LEU  88          1HD1      LEU  88  -3.417   9.886   0.679
  620   3HD1  LEU  88          3HD1      LEU  88  -4.534  10.089   2.028
  621   1HD2  LEU  88          2HD2      LEU  88  -0.853   9.058   2.916
  622   2HD2  LEU  88          1HD2      LEU  88  -2.454   8.328   3.048
  623   3HD2  LEU  88          3HD2      LEU  88  -1.777   8.689   1.459
  624    H    ASN  89           H        ASN  89  -0.848  11.535   5.805
  625    HA   ASN  89           HA       ASN  89   1.527   9.865   5.488
  626   1HB   ASN  89          1HB       ASN  89   2.492  12.176   5.574
  627   2HB   ASN  89          2HB       ASN  89   1.744  12.391   7.157
  628   1HD2  ASN  89          2HD2      ASN  89   4.835  11.164   8.421
  629   2HD2  ASN  89          1HD2      ASN  89   3.862  12.538   8.218
  630    H    THR  90           H        THR  90  -0.071   8.372   6.418
  631    HA   THR  90           HA       THR  90  -0.211   8.675   9.381
  632    HB   THR  90           HB       THR  90  -2.377   9.435   8.555
  633    HG1  THR  90           HG1      THR  90  -2.849   8.336  10.299
  634   1HG2  THR  90          2HG2      THR  90  -1.911   7.466   6.561
  635   2HG2  THR  90          1HG2      THR  90  -3.386   7.008   7.410
  636   3HG2  THR  90          3HG2      THR  90  -3.256   8.601   6.665
  637    H    MET  91           H        MET  91  -1.066   6.499  10.336
  638    HA   MET  91           HA       MET  91  -0.488   4.107   8.742
  639   1HB   MET  91          1HB       MET  91   1.269   3.340  10.418
  640   2HB   MET  91          2HB       MET  91   1.783   4.632   9.333
  641   1HG   MET  91          2HG       MET  91   1.028   6.259  11.169
  642   2HG   MET  91          1HG       MET  91   0.961   4.854  12.232
  643   1HE   MET  91          1HE       MET  91   2.189   5.588  13.746
  644   2HE   MET  91          3HE       MET  91   3.537   4.443  13.778
  645   3HE   MET  91          2HE       MET  91   3.848   6.177  13.757
  646    H    PHE  92           H        PHE  92  -0.728   2.107  10.298
  647    HA   PHE  92           HA       PHE  92  -1.957   2.399  12.850
  648   1HB   PHE  92          1HB       PHE  92  -4.351   1.839  12.133
  649   2HB   PHE  92          2HB       PHE  92  -3.820   3.500  11.876
  650    HD1  PHE  92           HD1      PHE  92  -4.087   0.190  10.153
  651    HD2  PHE  92           HD2      PHE  92  -3.900   4.454   9.733
  652    HE1  PHE  92           HE1      PHE  92  -4.557  -0.032   7.730
  653    HE2  PHE  92           HE2      PHE  92  -4.370   4.237   7.306
  654    HZ   PHE  92           HZ       PHE  92  -4.674   1.993   6.304
  655    H    GLU  93           H        GLU  93  -2.930   0.357  13.627
  656    HA   GLU  93           HA       GLU  93  -1.656  -1.952  12.294
  657   1HB   GLU  93          1HB       GLU  93  -1.704  -1.475  14.860
  658   2HB   GLU  93          2HB       GLU  93  -3.350  -2.103  14.785
  659   1HG   GLU  93          1HG       GLU  93  -2.082  -4.023  13.370
  660   2HG   GLU  93          2HG       GLU  93  -0.765  -3.526  14.433
  661    H    TYR  94           H        TYR  94  -2.849  -2.801  10.633
  662    HA   TYR  94           HA       TYR  94  -5.811  -2.920  11.006
  663   1HB   TYR  94          1HB       TYR  94  -4.378  -1.823   8.916
  664   2HB   TYR  94          2HB       TYR  94  -4.788  -3.425   8.300
  665    HD1  TYR  94           HD1      TYR  94  -6.266  -0.404   9.930
  666    HD2  TYR  94           HD2      TYR  94  -6.968  -3.900   7.536
  667    HE1  TYR  94           HE1      TYR  94  -8.592   0.350   9.510
  668    HE2  TYR  94           HE2      TYR  94  -9.292  -3.144   7.116
  669    HH   TYR  94           HH       TYR  94 -10.965  -1.690   8.149
  670    H    THR  95           H        THR  95  -6.697  -4.806   9.516
  671    HA   THR  95           HA       THR  95  -4.992  -7.222   9.750
  672    HB   THR  95           HB       THR  95  -7.799  -6.981  10.885
  673    HG1  THR  95           HG1      THR  95  -5.227  -7.294  12.016
  674   1HG2  THR  95          3HG2      THR  95  -5.978  -9.309  10.342
  675   2HG2  THR  95          2HG2      THR  95  -7.119  -9.376  11.685
  676   3HG2  THR  95          1HG2      THR  95  -7.707  -9.159  10.036
  677    H    PHE  96           H        PHE  96  -4.944  -7.794   7.626
  678    HA   PHE  96           HA       PHE  96  -7.318  -7.380   5.924
  679   1HB   PHE  96          1HB       PHE  96  -4.638  -8.642   5.266
  680   2HB   PHE  96          2HB       PHE  96  -5.891  -8.227   4.102
  681    HD1  PHE  96           HD1      PHE  96  -6.457  -5.609   6.072
  682    HD2  PHE  96           HD2      PHE  96  -3.173  -7.179   3.787
  683    HE1  PHE  96           HE1      PHE  96  -5.508  -3.327   5.866
  684    HE2  PHE  96           HE2      PHE  96  -2.226  -4.900   3.584
  685    HZ   PHE  96           HZ       PHE  96  -3.391  -2.973   4.624
  686    H    ASP  97           H        ASP  97  -8.873  -8.921   5.771
  687    HA   ASP  97           HA       ASP  97  -8.096 -11.760   5.711
  688   1HB   ASP  97          1HB       ASP  97  -8.393 -11.136   8.153
  689   2HB   ASP  97          2HB       ASP  97 -10.087 -10.807   7.787
  690    H    TYR  98           H        TYR  98  -9.167 -10.318   3.618
  691    HA   TYR  98           HA       TYR  98 -12.084 -10.617   3.591
  692   1HB   TYR  98          1HB       TYR  98 -11.945  -9.907   1.253
  693   2HB   TYR  98          2HB       TYR  98 -10.903  -8.864   2.213
  694    HD1  TYR  98           HD1      TYR  98 -10.752 -12.066   0.198
  695    HD2  TYR  98           HD2      TYR  98  -8.690  -8.521   1.525
  696    HE1  TYR  98           HE1      TYR  98  -8.804 -12.676  -1.185
  697    HE2  TYR  98           HE2      TYR  98  -6.745  -9.137   0.107
  698    HH   TYR  98           HH       TYR  98  -6.409 -10.569  -2.032
  699    H    GLN  99           H        GLN  99 -13.198 -12.271   2.435
  700    HA   GLN  99           HA       GLN  99 -13.181 -14.787   2.428
  701   1HB   GLN  99          1HB       GLN  99 -14.322 -13.863   0.558
  702   2HB   GLN  99          2HB       GLN  99 -12.823 -13.334  -0.198
  703   1HG   GLN  99          1HG       GLN  99 -12.389 -15.384  -1.084
  704   2HG   GLN  99          2HG       GLN  99 -13.041 -16.246   0.313
  705   1HE2  GLN  99          2HE2      GLN  99 -15.427 -15.512  -2.893
  706   2HE2  GLN  99          1HE2      GLN  99 -13.811 -14.992  -2.861
  707    H    MET 100           H        MET 100 -10.942 -14.957   3.548
  708    HA   MET 100           HA       MET 100  -9.297 -16.817   2.148
  709   1HB   MET 100          1HB       MET 100  -8.850 -14.303   1.149
  710   2HB   MET 100          2HB       MET 100  -7.688 -14.339   2.482
  711   1HG   MET 100          2HG       MET 100  -6.552 -16.219   1.598
  712   2HG   MET 100          1HG       MET 100  -7.890 -16.629   0.525
  713   1HE   MET 100          1HE       MET 100  -5.526 -14.198   1.715
  714   2HE   MET 100          3HE       MET 100  -4.550 -13.735   0.315
  715   3HE   MET 100          2HE       MET 100  -5.961 -12.781   0.764
  716    H    THR 101           H        THR 101  -6.787 -15.819   3.481
  717    HA   THR 101           HA       THR 101  -7.551 -16.613   6.240
  718    HB   THR 101           HB       THR 101  -4.764 -16.361   6.109
  719    HG1  THR 101           HG1      THR 101  -4.178 -16.897   4.167
  720   1HG2  THR 101          3HG2      THR 101  -6.697 -18.293   6.698
  721   2HG2  THR 101          2HG2      THR 101  -5.705 -19.028   5.439
  722   3HG2  THR 101          1HG2      THR 101  -4.956 -18.449   6.927
  723    HA   PRO 102           HA       PRO 102  -6.716 -12.615   7.885
  724   1HB   PRO 102          1HB       PRO 102  -5.393 -13.183  10.229
  725   2HB   PRO 102          2HB       PRO 102  -7.130 -13.443   9.995
  726   1HG   PRO 102          1HG       PRO 102  -4.927 -15.450  10.082
  727   2HG   PRO 102          2HG       PRO 102  -6.643 -15.649  10.474
  728   1HD   PRO 102          1HD       PRO 102  -5.382 -16.470   8.074
  729   2HD   PRO 102          2HD       PRO 102  -7.134 -16.362   8.351
  730    H    THR 103           H        THR 103  -5.054 -10.988   8.209
  731    HA   THR 103           HA       THR 103  -2.230 -11.808   7.913
  732    HB   THR 103           HB       THR 103  -3.789 -10.278   5.836
  733    HG1  THR 103           HG1      THR 103  -3.360 -12.138   4.980
  734   1HG2  THR 103          3HG2      THR 103  -0.960  -9.793   6.700
  735   2HG2  THR 103          2HG2      THR 103  -1.312  -9.769   4.972
  736   3HG2  THR 103          1HG2      THR 103  -2.143  -8.654   6.057
  737    H    LYS 104           H        LYS 104  -1.821 -10.849   9.946
  738    HA   LYS 104           HA       LYS 104  -2.750  -8.188  10.614
  739   1HB   LYS 104          1HB       LYS 104  -1.089  -8.327  12.456
  740   2HB   LYS 104          2HB       LYS 104  -2.061  -9.797  12.370
  741   1HG   LYS 104          1HG       LYS 104  -0.232 -10.854  11.014
  742   2HG   LYS 104          2HG       LYS 104   0.743  -9.411  11.289
  743   1HD   LYS 104          1HD       LYS 104   1.417 -10.947  12.979
  744   2HD   LYS 104          2HD       LYS 104   0.344  -9.806  13.791
  745   1HE   LYS 104          1HE       LYS 104  -0.953 -11.532  14.425
  746   2HE   LYS 104          2HE       LYS 104  -1.309 -11.850  12.728
  747   1HZ   LYS 104          1HZ       LYS 104   1.069 -12.952  12.872
  748   2HZ   LYS 104          3HZ       LYS 104   0.625 -13.137  14.498
  749   3HZ   LYS 104          2HZ       LYS 104  -0.342 -13.810  13.272
  750    H    VAL 105           H        VAL 105  -1.623  -6.217  10.333
  751    HA   VAL 105           HA       VAL 105   1.121  -6.286   9.264
  752    HB   VAL 105           HB       VAL 105   0.629  -5.128   7.199
  753   1HG1  VAL 105          1HG1      VAL 105   0.402  -7.621   7.214
  754   2HG1  VAL 105          3HG1      VAL 105  -1.329  -7.433   7.502
  755   3HG1  VAL 105          2HG1      VAL 105  -0.618  -6.855   5.997
  756   1HG2  VAL 105          3HG2      VAL 105  -2.288  -5.203   8.064
  757   2HG2  VAL 105          2HG2      VAL 105  -1.273  -3.767   7.976
  758   3HG2  VAL 105          1HG2      VAL 105  -1.703  -4.631   6.504
  759    H    LYS 106           H        LYS 106   2.192  -4.349   9.619
  760    HA   LYS 106           HA       LYS 106   0.651  -2.212  11.016
  761   1HB   LYS 106          1HB       LYS 106   2.888  -1.250  11.567
  762   2HB   LYS 106          2HB       LYS 106   2.724  -2.894  12.180
  763   1HG   LYS 106          1HG       LYS 106   3.734  -3.096   9.542
  764   2HG   LYS 106          2HG       LYS 106   4.677  -1.845  10.348
  765   1HD   LYS 106          1HD       LYS 106   4.107  -4.515  11.648
  766   2HD   LYS 106          2HD       LYS 106   5.516  -4.255  10.618
  767   1HE   LYS 106          1HE       LYS 106   5.206  -2.104  12.552
  768   2HE   LYS 106          2HE       LYS 106   5.331  -3.672  13.349
  769   1HZ   LYS 106          2HZ       LYS 106   7.173  -3.075  11.151
  770   2HZ   LYS 106          1HZ       LYS 106   7.454  -2.334  12.653
  771   3HZ   LYS 106          3HZ       LYS 106   7.415  -4.026  12.538
  772    H    VAL 107           H        VAL 107  -0.173  -0.834   9.543
  773    HA   VAL 107           HA       VAL 107   0.980  -0.654   6.848
  774    HB   VAL 107           HB       VAL 107  -1.124   0.360   6.275
  775   1HG1  VAL 107          1HG1      VAL 107  -1.167  -1.873   7.880
  776   2HG1  VAL 107          3HG1      VAL 107  -2.384  -0.820   8.599
  777   3HG1  VAL 107          2HG1      VAL 107  -2.499  -1.269   6.896
  778   1HG2  VAL 107          2HG2      VAL 107  -0.721   2.104   8.300
  779   2HG2  VAL 107          1HG2      VAL 107  -2.269   1.885   7.539
  780   3HG2  VAL 107          3HG2      VAL 107  -1.914   1.069   9.045
  781    H    HIS 108           H        HIS 108   1.315   1.407   5.800
  782    HA   HIS 108           HA       HIS 108   1.708   3.833   7.344
  783   1HB   HIS 108          1HB       HIS 108   3.851   2.431   7.729
  784   2HB   HIS 108          2HB       HIS 108   4.207   2.757   6.031
  785    HD1  HIS 108           HD1      HIS 108   6.090   3.997   8.046
  786    HD2  HIS 108           HD2      HIS 108   2.617   5.923   6.774
  787    HE1  HIS 108           HE1      HIS 108   6.434   6.464   8.498
  788    H    MET 109           H        MET 109   0.489   4.930   5.846
  789    HA   MET 109           HA       MET 109   1.269   4.698   2.961
  790   1HB   MET 109          1HB       MET 109  -1.279   6.046   3.673
  791   2HB   MET 109          2HB       MET 109  -0.942   4.897   2.387
  792   1HG   MET 109          2HG       MET 109  -1.112   3.028   3.908
  793   2HG   MET 109          1HG       MET 109  -1.162   4.095   5.306
  794   1HE   MET 109          2HE       MET 109  -2.845   5.228   6.203
  795   2HE   MET 109          1HE       MET 109  -3.253   6.362   4.917
  796   3HE   MET 109          3HE       MET 109  -4.521   5.398   5.686
  797    H    LYS 110           H        LYS 110   1.586   6.697   1.746
  798    HA   LYS 110           HA       LYS 110   1.425   9.193   3.403
  799   1HB   LYS 110          1HB       LYS 110   3.811   7.950   3.051
  800   2HB   LYS 110          2HB       LYS 110   3.786   8.961   1.612
  801   1HG   LYS 110          1HG       LYS 110   3.222  10.907   3.175
  802   2HG   LYS 110          2HG       LYS 110   3.613   9.824   4.507
  803   1HD   LYS 110          1HD       LYS 110   5.871   9.586   3.779
  804   2HD   LYS 110          2HD       LYS 110   5.517  10.313   2.211
  805   1HE   LYS 110          1HE       LYS 110   4.870  11.998   4.557
  806   2HE   LYS 110          2HE       LYS 110   6.587  11.692   4.300
  807   1HZ   LYS 110          3HZ       LYS 110   5.075  12.352   1.920
  808   2HZ   LYS 110          2HZ       LYS 110   5.207  13.609   3.056
  809   3HZ   LYS 110          1HZ       LYS 110   6.606  12.886   2.417
  810    H    LYS 111           H        LYS 111   2.441  10.953   1.466
  811    HA   LYS 111           HA       LYS 111   0.418  10.590  -0.696
  812   1HB   LYS 111          1HB       LYS 111   0.115  12.618   0.682
  813   2HB   LYS 111          2HB       LYS 111   1.759  13.126   0.296
  814   1HG   LYS 111          1HG       LYS 111   0.544  12.543  -2.180
  815   2HG   LYS 111          2HG       LYS 111  -0.655  13.458  -1.265
  816   1HD   LYS 111          1HD       LYS 111   0.980  15.225  -0.827
  817   2HD   LYS 111          2HD       LYS 111   2.231  14.301  -1.659
  818   1HE   LYS 111          1HE       LYS 111   0.793  14.364  -3.730
  819   2HE   LYS 111          2HE       LYS 111  -0.285  15.471  -2.877
  820   1HZ   LYS 111          3HZ       LYS 111   1.706  16.901  -2.497
  821   2HZ   LYS 111          2HZ       LYS 111   2.570  15.896  -3.560
  822   3HZ   LYS 111          1HZ       LYS 111   1.228  16.776  -4.120
  823    H    ALA 112           H        ALA 112   1.604   9.474  -2.247
  824    HA   ALA 112           HA       ALA 112   4.315   9.732  -2.880
  825   1HB   ALA 112          1HB       ALA 112   2.086   8.471  -4.013
  826   2HB   ALA 112          3HB       ALA 112   2.744   9.489  -5.293
  827   3HB   ALA 112          2HB       ALA 112   3.771   8.294  -4.512
  828    H    LEU 113           H        LEU 113   5.515  11.370  -3.821
  829    HA   LEU 113           HA       LEU 113   3.961  13.613  -5.038
  830   1HB   LEU 113          1HB       LEU 113   6.700  13.773  -3.743
  831   2HB   LEU 113          2HB       LEU 113   5.710  15.125  -4.293
  832    HG   LEU 113           HG       LEU 113   3.970  13.832  -2.618
  833   1HD1  LEU 113          3HD1      LEU 113   5.734  12.258  -1.895
  834   2HD1  LEU 113          2HD1      LEU 113   6.747  13.618  -1.412
  835   3HD1  LEU 113          1HD1      LEU 113   5.233  13.302  -0.564
  836   1HD2  LEU 113          1HD2      LEU 113   5.786  16.168  -2.458
  837   2HD2  LEU 113          3HD2      LEU 113   4.043  16.079  -2.203
  838   3HD2  LEU 113          2HD2      LEU 113   5.149  15.602  -0.914
  839    H    SER 114           H        SER 114   6.419  11.241  -5.547
  840    HA   SER 114           HA       SER 114   8.022  12.405  -7.542
  841   1HB   SER 114          1HB       SER 114   7.251   9.680  -6.759
  842   2HB   SER 114          2HB       SER 114   7.640   9.831  -8.471
  843    HG   SER 114           HG       SER 114   9.254  10.864  -6.378
  844    H    GLY 115           H        GLY 115   4.697  11.339  -7.682
  845   1HA   GLY 115          1HA       GLY 115   3.641  12.767  -9.661
  846   2HA   GLY 115          2HA       GLY 115   4.626  11.668 -10.627
  847    H    ASP 116           H        ASP 116   2.805  10.953  -7.648
  848    HA   ASP 116           HA       ASP 116   1.098   9.130  -9.285
  849   1HB   ASP 116          1HB       ASP 116   2.795   8.534  -6.930
  850   2HB   ASP 116          2HB       ASP 116   1.178   7.832  -6.900
  851    H    SER 117           H        SER 117   0.944   9.555  -5.769
  852    HA   SER 117           HA       SER 117  -0.861  11.635  -5.469
  853   1HB   SER 117          1HB       SER 117  -2.118   9.315  -6.766
  854   2HB   SER 117          2HB       SER 117  -2.977   9.882  -5.337
  855    HG   SER 117           HG       SER 117  -3.710  11.351  -6.654
  856    H    TYR 118           H        TYR 118  -1.627   8.267  -4.540
  857    HA   TYR 118           HA       TYR 118  -0.796   8.896  -1.730
  858   1HB   TYR 118          1HB       TYR 118  -3.343   7.401  -2.318
  859   2HB   TYR 118          2HB       TYR 118  -2.916   8.250  -0.836
  860    HD1  TYR 118           HD2      TYR 118  -2.641  10.836  -1.030
  861    HD2  TYR 118           HD1      TYR 118  -4.631   8.376  -3.924
  862    HE1  TYR 118           HE2      TYR 118  -3.809  12.826  -1.923
  863    HE2  TYR 118           HE1      TYR 118  -5.795  10.347  -4.816
  864    HH   TYR 118           HH       TYR 118  -4.964  13.249  -4.583
  865    H    TRP 119           H        TRP 119   0.376   7.159  -0.858
  866    HA   TRP 119           HA       TRP 119  -0.108   4.533  -2.112
  867   1HB   TRP 119          1HB       TRP 119   2.296   3.985  -1.912
  868   2HB   TRP 119          2HB       TRP 119   1.915   5.213  -3.102
  869    HD1  TRP 119           HD1      TRP 119   3.292   7.306  -2.967
  870    HE1  TRP 119           HE1      TRP 119   4.955   8.328  -1.293
  871    HE3  TRP 119           HE3      TRP 119   2.573   4.141   0.786
  872    HZ2  TRP 119           HZ2      TRP 119   5.878   7.784   1.387
  873    HZ3  TRP 119           HZ3      TRP 119   3.841   4.342   2.931
  874    HH2  TRP 119           HH2      TRP 119   5.489   6.161   3.226
  875    H    VAL 120           H        VAL 120  -0.247   2.797  -0.921
  876    HA   VAL 120           HA       VAL 120  -0.097   3.171   2.034
  877    HB   VAL 120           HB       VAL 120  -1.784   1.224   0.419
  878   1HG1  VAL 120          2HG1      VAL 120  -0.948   1.044   3.056
  879   2HG1  VAL 120          1HG1      VAL 120  -2.543   1.783   3.184
  880   3HG1  VAL 120          3HG1      VAL 120  -2.353   0.237   2.361
  881   1HG2  VAL 120          2HG2      VAL 120  -2.188   4.006   1.233
  882   2HG2  VAL 120          1HG2      VAL 120  -3.100   3.030   0.085
  883   3HG2  VAL 120          3HG2      VAL 120  -3.466   2.936   1.807
  884    H    PHE 121           H        PHE 121   1.664   2.142   2.852
  885    HA   PHE 121           HA       PHE 121   2.714  -0.246   1.430
  886   1HB   PHE 121          1HB       PHE 121   3.971   1.409   3.649
  887   2HB   PHE 121          2HB       PHE 121   4.741   0.064   2.817
  888    HD1  PHE 121           HD1      PHE 121   3.046   1.244   0.173
  889    HD2  PHE 121           HD2      PHE 121   6.115   2.609   2.851
  890    HE1  PHE 121           HE1      PHE 121   3.882   2.791  -1.576
  891    HE2  PHE 121           HE2      PHE 121   6.911   4.188   1.116
  892    HZ   PHE 121           HZ       PHE 121   5.807   4.263  -1.099
  893    H    VAL 122           H        VAL 122   2.322  -2.244   2.305
  894    HA   VAL 122           HA       VAL 122   1.337  -2.263   5.106
  895    HB   VAL 122           HB       VAL 122   0.543  -3.714   2.643
  896   1HG1  VAL 122          3HG1      VAL 122   0.860  -5.126   5.289
  897   2HG1  VAL 122          2HG1      VAL 122  -0.468  -5.554   4.213
  898   3HG1  VAL 122          1HG1      VAL 122   1.200  -5.728   3.668
  899   1HG2  VAL 122          1HG2      VAL 122  -0.606  -1.994   4.400
  900   2HG2  VAL 122          3HG2      VAL 122  -1.521  -3.093   3.369
  901   3HG2  VAL 122          2HG2      VAL 122  -1.174  -3.534   5.040
  902    H    LYS 123           H        LYS 123   2.617  -3.092   6.584
  903    HA   LYS 123           HA       LYS 123   4.899  -4.813   5.738
  904   1HB   LYS 123          1HB       LYS 123   4.614  -2.713   7.633
  905   2HB   LYS 123          2HB       LYS 123   4.889  -4.201   8.546
  906   1HG   LYS 123          1HG       LYS 123   7.082  -3.815   8.123
  907   2HG   LYS 123          2HG       LYS 123   6.723  -4.457   6.523
  908   1HD   LYS 123          1HD       LYS 123   6.300  -2.218   5.668
  909   2HD   LYS 123          2HD       LYS 123   6.470  -1.546   7.281
  910   1HE   LYS 123          1HE       LYS 123   8.544  -2.196   5.327
  911   2HE   LYS 123          2HE       LYS 123   8.621  -1.153   6.726
  912   1HZ   LYS 123          2HZ       LYS 123   8.812  -4.124   6.798
  913   2HZ   LYS 123          1HZ       LYS 123  10.133  -3.066   6.879
  914   3HZ   LYS 123          3HZ       LYS 123   8.983  -3.077   8.125
  915    H    ARG 124           H        ARG 124   4.715  -7.010   6.076
  916    HA   ARG 124           HA       ARG 124   2.347  -8.006   7.465
  917   1HB   ARG 124          1HB       ARG 124   3.332  -9.247   5.559
  918   2HB   ARG 124          2HB       ARG 124   4.812  -9.501   6.486
  919   1HG   ARG 124          1HG       ARG 124   3.856 -11.089   7.839
  920   2HG   ARG 124          2HG       ARG 124   2.268 -10.324   7.791
  921   1HD   ARG 124          1HD       ARG 124   1.786 -11.230   5.636
  922   2HD   ARG 124          2HD       ARG 124   3.465 -11.708   5.382
  923    HE   ARG 124           HE       ARG 124   2.699 -13.110   7.651
  924   1HH1  ARG 124          2HH1      ARG 124   0.018 -13.516   7.023
  925   2HH1  ARG 124          1HH1      ARG 124  -0.015 -14.745   5.803
  926   1HH2  ARG 124          1HH2      ARG 124   3.326 -14.361   4.954
  927   2HH2  ARG 124          2HH2      ARG 124   1.859 -15.225   4.632
  928    H    VAL 125           H        VAL 125   2.173  -8.241   9.628
  929    HA   VAL 125           HA       VAL 125   4.618  -8.073  11.276
  930    HB   VAL 125           HB       VAL 125   1.983  -8.435  12.605
  931   1HG1  VAL 125          3HG1      VAL 125   4.416  -6.683  12.855
  932   2HG1  VAL 125          2HG1      VAL 125   2.950  -6.353  13.778
  933   3HG1  VAL 125          1HG1      VAL 125   3.803  -7.883  13.994
  934   1HG2  VAL 125          1HG2      VAL 125   2.507  -6.284  10.611
  935   2HG2  VAL 125          3HG2      VAL 125   0.974  -6.966  11.153
  936   3HG2  VAL 125          2HG2      VAL 125   1.812  -5.781  12.153
  937    H2   HC4  69           H2       HC4  69  -7.059  -4.480   3.309
  938    H3   HC4  69           H3       HC4  69  -7.343  -7.365   2.352
  939    H2'  HC4  69           H2'      HC4  69  -5.460  -8.048   0.907
  940    H3'  HC4  69           H3'      HC4  69  -3.339  -7.571  -0.284
  941    H5'  HC4  69           H5'      HC4  69  -3.377  -3.541   1.246
  942    H6'  HC4  69           H6'      HC4  69  -5.516  -4.019   2.409
   
  No H/Q in entry =         942
  Start of MODEL   21
    1   1H    MET   1           H1       MET   1  18.125   4.165  12.633
    2   2H    MET   1           H3       MET   1  19.264   5.238  11.981
    3   3H    MET   1           H2       MET   1  19.231   4.953  13.656
    4    HA   MET   1           HA       MET   1  17.514   6.337  14.024
    5   1HB   MET   1          1HB       MET   1  19.280   7.244  12.007
    6   2HB   MET   1          2HB       MET   1  17.663   7.744  11.507
    7   1HG   MET   1          2HG       MET   1  17.282   8.809  13.669
    8   2HG   MET   1          1HG       MET   1  18.837   8.228  14.261
    9   1HE   MET   1          3HE       MET   1  16.907  10.462  11.844
   10   2HE   MET   1          2HE       MET   1  17.164  11.234  13.406
   11   3HE   MET   1          1HE       MET   1  17.873  11.939  11.954
   12    H    GLU   2           H        GLU   2  15.835   7.733  12.167
   13    HA   GLU   2           HA       GLU   2  14.372   5.676  10.651
   14   1HB   GLU   2          1HB       GLU   2  13.618   6.416  13.343
   15   2HB   GLU   2          2HB       GLU   2  12.361   6.908  12.209
   16   1HG   GLU   2          1HG       GLU   2  12.910   4.445  11.233
   17   2HG   GLU   2          2HG       GLU   2  13.291   4.182  12.935
   18    H    HIS   3           H        HIS   3  13.399   6.627   8.898
   19    HA   HIS   3           HA       HIS   3  12.382   9.343   8.970
   20   1HB   HIS   3          1HB       HIS   3  13.974  10.187   7.192
   21   2HB   HIS   3          2HB       HIS   3  14.699   9.972   8.785
   22    HD1  HIS   3           HD1      HIS   3  16.975   9.006   8.504
   23    HD2  HIS   3           HD2      HIS   3  14.268   7.344   5.803
   24    HE1  HIS   3           HE1      HIS   3  18.252   7.253   7.196
   25    H    VAL   4           H        VAL   4  11.318   6.794   8.258
   26    HA   VAL   4           HA       VAL   4  10.219   7.450   5.664
   27    HB   VAL   4           HB       VAL   4  12.588   6.357   5.297
   28   1HG1  VAL   4          3HG1      VAL   4  11.709   4.363   6.830
   29   2HG1  VAL   4          2HG1      VAL   4  11.073   3.779   5.291
   30   3HG1  VAL   4          1HG1      VAL   4  12.803   4.066   5.479
   31   1HG2  VAL   4          1HG2      VAL   4  10.087   6.299   3.855
   32   2HG2  VAL   4          3HG2      VAL   4  11.727   6.461   3.225
   33   3HG2  VAL   4          2HG2      VAL   4  11.035   4.859   3.479
   34    H    ALA   5           H        ALA   5   9.180   4.946   4.952
   35    HA   ALA   5           HA       ALA   5   6.985   4.618   6.689
   36   1HB   ALA   5          1HB       ALA   5   8.253   2.961   4.558
   37   2HB   ALA   5          3HB       ALA   5   7.057   2.186   5.587
   38   3HB   ALA   5          2HB       ALA   5   6.618   3.605   4.635
   39    H    PHE   6           H        PHE   6   6.665   2.102   7.460
   40    HA   PHE   6           HA       PHE   6   7.990   1.780   9.918
   41   1HB   PHE   6          1HB       PHE   6   7.463  -0.821   9.346
   42   2HB   PHE   6          2HB       PHE   6   6.239   0.311   9.912
   43    HD1  PHE   6           HD2      PHE   6   7.897  -0.359   6.576
   44    HD2  PHE   6           HD1      PHE   6   4.238   0.102   8.774
   45    HE1  PHE   6           HE2      PHE   6   6.607  -0.670   4.507
   46    HE2  PHE   6           HE1      PHE   6   2.963  -0.213   6.679
   47    HZ   PHE   6           HZ       PHE   6   4.143  -0.603   4.570
   48    H    GLY   7           H        GLY   7  10.288   2.157   9.528
   49   1HA   GLY   7          1HA       GLY   7  12.479   1.531   8.949
   50   2HA   GLY   7          2HA       GLY   7  11.927  -0.092   9.361
   51    H    SER   8           H        SER   8  10.380   1.632   6.725
   52    HA   SER   8           HA       SER   8  10.917  -0.489   4.887
   53   1HB   SER   8          1HB       SER   8  10.056   2.356   4.312
   54   2HB   SER   8          2HB       SER   8  10.069   1.050   3.134
   55    HG   SER   8           HG       SER   8   8.734  -0.095   4.769
   56    H    GLU   9           H        GLU   9  12.035   0.007   2.704
   57    HA   GLU   9           HA       GLU   9  14.749   1.047   3.325
   58   1HB   GLU   9          1HB       GLU   9  13.804  -1.187   1.945
   59   2HB   GLU   9          2HB       GLU   9  14.315  -0.092   0.662
   60   1HG   GLU   9          1HG       GLU   9  16.527  -0.211   1.254
   61   2HG   GLU   9          2HG       GLU   9  16.165  -0.334   2.977
   62    H    ASP  10           H        ASP  10  13.156   3.208   3.181
   63    HA   ASP  10           HA       ASP  10  12.686   5.174   1.955
   64   1HB   ASP  10          1HB       ASP  10  15.126   4.036   0.596
   65   2HB   ASP  10          2HB       ASP  10  14.323   5.451  -0.086
   66    H    ILE  11           H        ILE  11  10.606   4.212   1.327
   67    HA   ILE  11           HA       ILE  11  10.459   2.654  -1.097
   68    HB   ILE  11           HB       ILE  11   8.030   3.878  -0.099
   69   1HG1  ILE  11          1HG1      ILE  11   8.037   1.896   1.667
   70   2HG1  ILE  11          2HG1      ILE  11   9.766   2.231   1.657
   71   1HG2  ILE  11          1HG2      ILE  11   8.536   1.994  -1.825
   72   2HG2  ILE  11          3HG2      ILE  11   8.530   0.985  -0.391
   73   3HG2  ILE  11          2HG2      ILE  11   7.097   1.918  -0.816
   74   1HD1  ILE  11          3HD1      ILE  11   8.594   4.742   1.793
   75   2HD1  ILE  11          2HD1      ILE  11   7.587   3.741   2.841
   76   3HD1  ILE  11          1HD1      ILE  11   9.322   3.861   3.135
   77    H    GLU  12           H        GLU  12   8.852   5.729  -0.260
   78    HA   GLU  12           HA       GLU  12   7.910   6.410  -2.721
   79   1HB   GLU  12          1HB       GLU  12   8.313   8.832  -2.100
   80   2HB   GLU  12          2HB       GLU  12   7.533   7.875  -0.841
   81   1HG   GLU  12          1HG       GLU  12   9.268   8.144   0.579
   82   2HG   GLU  12          2HG       GLU  12  10.446   7.750  -0.674
   83    H    ASN  13           H        ASN  13  11.315   6.378  -1.854
   84    HA   ASN  13           HA       ASN  13  12.085   7.788  -4.334
   85   1HB   ASN  13          1HB       ASN  13  13.271   7.476  -1.819
   86   2HB   ASN  13          2HB       ASN  13  14.257   6.484  -2.895
   87   1HD2  ASN  13          2HD2      ASN  13  15.386  10.109  -2.983
   88   2HD2  ASN  13          1HD2      ASN  13  15.101   9.037  -1.699
   89    H    THR  14           H        THR  14  12.196   4.514  -2.952
   90    HA   THR  14           HA       THR  14  13.624   3.283  -5.127
   91    HB   THR  14           HB       THR  14  11.908   2.364  -2.823
   92    HG1  THR  14           HG1      THR  14  13.912   2.421  -2.195
   93   1HG2  THR  14          3HG2      THR  14  11.351   0.920  -4.901
   94   2HG2  THR  14          2HG2      THR  14  13.016   0.351  -4.786
   95   3HG2  THR  14          1HG2      THR  14  11.899   0.080  -3.452
   96    H    LEU  15           H        LEU  15  10.208   3.194  -4.280
   97    HA   LEU  15           HA       LEU  15   9.119   2.046  -6.592
   98   1HB   LEU  15          1HB       LEU  15   7.727   4.379  -5.246
   99   2HB   LEU  15          2HB       LEU  15   7.009   2.936  -5.948
  100    HG   LEU  15           HG       LEU  15   8.733   2.911  -3.468
  101   1HD1  LEU  15          1HD1      LEU  15   5.837   3.414  -3.851
  102   2HD1  LEU  15          3HD1      LEU  15   6.313   2.368  -2.512
  103   3HD1  LEU  15          2HD1      LEU  15   6.939   4.014  -2.612
  104   1HD2  LEU  15          2HD2      LEU  15   8.465   0.813  -4.915
  105   2HD2  LEU  15          1HD2      LEU  15   8.006   0.659  -3.218
  106   3HD2  LEU  15          3HD2      LEU  15   6.762   0.855  -4.451
  107    H    ALA  16           H        ALA  16  10.474   5.250  -6.190
  108    HA   ALA  16           HA       ALA  16   9.182   6.405  -8.517
  109   1HB   ALA  16          2HB       ALA  16  10.503   7.520  -6.486
  110   2HB   ALA  16          1HB       ALA  16  11.863   7.362  -7.597
  111   3HB   ALA  16          3HB       ALA  16  10.442   8.294  -8.068
  112    H    LYS  17           H        LYS  17  12.330   4.876  -7.921
  113    HA   LYS  17           HA       LYS  17  13.432   5.236 -10.509
  114   1HB   LYS  17          1HB       LYS  17  13.875   3.246  -8.299
  115   2HB   LYS  17          2HB       LYS  17  14.688   3.033  -9.849
  116   1HG   LYS  17          1HG       LYS  17  14.780   5.748  -8.612
  117   2HG   LYS  17          2HG       LYS  17  15.775   4.485  -7.884
  118   1HD   LYS  17          1HD       LYS  17  15.927   4.477 -10.804
  119   2HD   LYS  17          2HD       LYS  17  16.461   6.006 -10.107
  120   1HE   LYS  17          1HE       LYS  17  18.140   4.960  -8.807
  121   2HE   LYS  17          2HE       LYS  17  17.420   3.362  -9.009
  122   1HZ   LYS  17          2HZ       LYS  17  18.587   4.978 -11.210
  123   2HZ   LYS  17          1HZ       LYS  17  19.396   3.717 -10.407
  124   3HZ   LYS  17          3HZ       LYS  17  18.005   3.386 -11.320
  125    H    MET  18           H        MET  18  10.827   3.195  -9.502
  126    HA   MET  18           HA       MET  18  10.552   2.193 -12.234
  127   1HB   MET  18          1HB       MET  18  10.623  -0.212 -11.561
  128   2HB   MET  18          2HB       MET  18  12.169   0.605 -11.432
  129   1HG   MET  18          2HG       MET  18  10.387   0.514  -9.040
  130   2HG   MET  18          1HG       MET  18  11.319  -0.903  -9.465
  131   1HE   MET  18          3HE       MET  18  11.278   0.619  -6.958
  132   2HE   MET  18          2HE       MET  18  12.664  -0.470  -6.888
  133   3HE   MET  18          1HE       MET  18  12.865   1.232  -6.477
  134    H    ASP  19           H        ASP  19   8.854  -0.068 -11.338
  135    HA   ASP  19           HA       ASP  19   6.742   1.197  -9.737
  136   1HB   ASP  19          1HB       ASP  19   6.759   1.368 -12.622
  137   2HB   ASP  19          2HB       ASP  19   5.367   0.433 -12.075
  138    H    ASP  20           H        ASP  20   7.696  -1.537 -11.825
  139    HA   ASP  20           HA       ASP  20   6.533  -3.373  -9.848
  140   1HB   ASP  20          1HB       ASP  20   5.141  -4.545 -11.554
  141   2HB   ASP  20          2HB       ASP  20   4.582  -2.903 -11.241
  142    H    GLY  21           H        GLY  21   8.698  -4.152  -9.655
  143   1HA   GLY  21          1HA       GLY  21   9.494  -6.413 -10.920
  144   2HA   GLY  21          2HA       GLY  21  10.048  -5.186 -12.058
  145    H    GLN  22           H        GLN  22  10.555  -3.274  -9.819
  146    HA   GLN  22           HA       GLN  22  13.134  -4.461  -8.923
  147   1HB   GLN  22          1HB       GLN  22  12.573  -2.077 -10.214
  148   2HB   GLN  22          2HB       GLN  22  12.845  -1.612  -8.535
  149   1HG   GLN  22          1HG       GLN  22  15.047  -1.976  -8.705
  150   2HG   GLN  22          2HG       GLN  22  14.789  -3.567  -9.425
  151   1HE2  GLN  22          2HE2      GLN  22  14.497  -0.574 -12.198
  152   2HE2  GLN  22          1HE2      GLN  22  13.545  -0.542 -10.803
  153    H    LEU  23           H        LEU  23  10.394  -2.506  -7.850
  154    HA   LEU  23           HA       LEU  23  11.242  -2.549  -5.061
  155   1HB   LEU  23          1HB       LEU  23   8.768  -1.733  -4.741
  156   2HB   LEU  23          2HB       LEU  23   9.945  -0.659  -5.490
  157    HG   LEU  23           HG       LEU  23   9.092  -1.096  -7.684
  158   1HD1  LEU  23          2HD1      LEU  23   7.629  -3.379  -6.348
  159   2HD1  LEU  23          1HD1      LEU  23   7.129  -2.751  -7.917
  160   3HD1  LEU  23          3HD1      LEU  23   8.735  -3.450  -7.718
  161   1HD2  LEU  23          3HD2      LEU  23   6.982  -0.719  -5.571
  162   2HD2  LEU  23          2HD2      LEU  23   7.657   0.473  -6.682
  163   3HD2  LEU  23          1HD2      LEU  23   6.538  -0.755  -7.277
  164    H    ASP  24           H        ASP  24  10.155  -5.034  -6.921
  165    HA   ASP  24           HA       ASP  24   8.120  -6.129  -5.150
  166   1HB   ASP  24          1HB       ASP  24   8.309  -8.139  -6.534
  167   2HB   ASP  24          2HB       ASP  24   8.256  -6.710  -7.567
  168    H    GLY  25           H        GLY  25  11.421  -5.745  -4.741
  169   1HA   GLY  25          1HA       GLY  25  11.731  -8.300  -3.255
  170   2HA   GLY  25          2HA       GLY  25  13.051  -7.239  -3.736
  171    H    LEU  26           H        LEU  26  10.134  -5.956  -2.208
  172    HA   LEU  26           HA       LEU  26  11.843  -5.098   0.053
  173   1HB   LEU  26          1HB       LEU  26   9.010  -4.254  -0.632
  174   2HB   LEU  26          2HB       LEU  26  10.057  -3.516   0.575
  175    HG   LEU  26           HG       LEU  26  10.228  -3.368  -2.427
  176   1HD1  LEU  26          1HD1      LEU  26   9.116  -1.640  -0.879
  177   2HD1  LEU  26          3HD1      LEU  26  10.752  -1.240  -0.353
  178   3HD1  LEU  26          2HD1      LEU  26  10.292  -1.030  -2.044
  179   1HD2  LEU  26          3HD2      LEU  26  12.511  -3.092  -0.461
  180   2HD2  LEU  26          2HD2      LEU  26  12.470  -4.021  -1.958
  181   3HD2  LEU  26          1HD2      LEU  26  12.519  -2.260  -2.016
  182    H    ALA  27           H        ALA  27  10.152  -4.830   2.061
  183    HA   ALA  27           HA       ALA  27   9.236  -7.615   2.633
  184   1HB   ALA  27          1HB       ALA  27  10.192  -5.384   4.442
  185   2HB   ALA  27          3HB       ALA  27   9.394  -6.830   5.060
  186   3HB   ALA  27          2HB       ALA  27  10.929  -6.969   4.200
  187    H    PHE  28           H        PHE  28   8.023  -4.678   1.724
  188    HA   PHE  28           HA       PHE  28   5.388  -5.328   2.897
  189   1HB   PHE  28          1HB       PHE  28   5.010  -2.907   3.374
  190   2HB   PHE  28          2HB       PHE  28   6.302  -3.587   4.352
  191    HD1  PHE  28           HD1      PHE  28   5.503  -1.393   1.515
  192    HD2  PHE  28           HD2      PHE  28   8.639  -2.988   3.971
  193    HE1  PHE  28           HE1      PHE  28   7.072   0.290   0.607
  194    HE2  PHE  28           HE2      PHE  28  10.216  -1.310   3.057
  195    HZ   PHE  28           HZ       PHE  28   9.441   0.334   1.377
  196    H    GLY  29           H        GLY  29   3.804  -5.120   1.421
  197   1HA   GLY  29          1HA       GLY  29   4.372  -4.700  -1.324
  198   2HA   GLY  29          2HA       GLY  29   2.765  -4.657  -0.599
  199    H    ALA  30           H        ALA  30   4.410  -2.807  -2.578
  200    HA   ALA  30           HA       ALA  30   3.659  -0.325  -1.105
  201   1HB   ALA  30          2HB       ALA  30   6.106  -0.962  -2.544
  202   2HB   ALA  30          1HB       ALA  30   5.327   0.472  -3.214
  203   3HB   ALA  30          3HB       ALA  30   5.755   0.420  -1.505
  204    H    ILE  31           H        ILE  31   1.764   0.402  -1.876
  205    HA   ILE  31           HA       ILE  31   1.228   0.019  -4.783
  206    HB   ILE  31           HB       ILE  31  -1.073  -0.335  -4.326
  207   1HG1  ILE  31          1HG1      ILE  31  -1.796  -0.260  -1.805
  208   2HG1  ILE  31          2HG1      ILE  31  -0.437   0.857  -1.637
  209   1HG2  ILE  31          2HG2      ILE  31   0.487  -2.175  -3.724
  210   2HG2  ILE  31          1HG2      ILE  31   0.410  -1.654  -2.048
  211   3HG2  ILE  31          3HG2      ILE  31  -1.041  -2.242  -2.857
  212   1HD1  ILE  31          1HD1      ILE  31  -2.031   1.491  -3.985
  213   2HD1  ILE  31          3HD1      ILE  31  -3.020   1.498  -2.526
  214   3HD1  ILE  31          2HD1      ILE  31  -1.592   2.527  -2.628
  215    H    GLN  32           H        GLN  32  -0.144   1.656  -5.769
  216    HA   GLN  32           HA       GLN  32   0.038   4.301  -4.401
  217   1HB   GLN  32          1HB       GLN  32   0.657   3.588  -7.279
  218   2HB   GLN  32          2HB       GLN  32   0.363   5.240  -6.740
  219   1HG   GLN  32          1HG       GLN  32   2.304   5.318  -5.458
  220   2HG   GLN  32          2HG       GLN  32   2.368   3.565  -5.272
  221   1HE2  GLN  32          2HE2      GLN  32   4.787   3.463  -7.828
  222   2HE2  GLN  32          1HE2      GLN  32   4.363   3.043  -6.240
  223    H    LEU  33           H        LEU  33  -1.602   5.866  -5.458
  224    HA   LEU  33           HA       LEU  33  -3.871   4.493  -6.744
  225   1HB   LEU  33          1HB       LEU  33  -4.031   5.780  -4.005
  226   2HB   LEU  33          2HB       LEU  33  -5.450   5.420  -4.988
  227    HG   LEU  33           HG       LEU  33  -3.389   3.375  -4.106
  228   1HD1  LEU  33          1HD1      LEU  33  -5.518   4.569  -2.665
  229   2HD1  LEU  33          3HD1      LEU  33  -6.050   2.946  -3.106
  230   3HD1  LEU  33          2HD1      LEU  33  -4.553   3.168  -2.199
  231   1HD2  LEU  33          1HD2      LEU  33  -5.364   3.367  -6.172
  232   2HD2  LEU  33          3HD2      LEU  33  -4.337   2.033  -5.644
  233   3HD2  LEU  33          2HD2      LEU  33  -5.914   2.283  -4.894
  234    H    ASP  34           H        ASP  34  -5.244   5.990  -7.847
  235    HA   ASP  34           HA       ASP  34  -4.362   8.843  -7.676
  236   1HB   ASP  34          1HB       ASP  34  -4.918   7.115 -10.038
  237   2HB   ASP  34          2HB       ASP  34  -5.366   8.817 -10.131
  238    H    GLY  35           H        GLY  35  -5.870  10.129  -7.053
  239   1HA   GLY  35          1HA       GLY  35  -7.887  10.917  -6.180
  240   2HA   GLY  35          2HA       GLY  35  -8.333  10.780  -7.873
  241    H    ASP  36           H        ASP  36  -9.251   8.678  -8.513
  242    HA   ASP  36           HA       ASP  36 -11.431   7.962  -6.775
  243   1HB   ASP  36          1HB       ASP  36 -11.216   7.863  -9.393
  244   2HB   ASP  36          2HB       ASP  36 -10.607   6.238  -9.087
  245    H    GLY  37           H        GLY  37  -8.240   6.981  -6.630
  246   1HA   GLY  37          1HA       GLY  37  -7.392   5.419  -5.040
  247   2HA   GLY  37          2HA       GLY  37  -8.991   4.682  -4.951
  248    H    ASN  38           H        ASN  38  -7.923   5.286  -8.167
  249    HA   ASN  38           HA       ASN  38  -7.880   2.441  -8.738
  250   1HB   ASN  38          1HB       ASN  38  -7.337   4.940 -10.302
  251   2HB   ASN  38          2HB       ASN  38  -6.783   3.399 -10.956
  252   1HD2  ASN  38          2HD2      ASN  38 -10.645   4.344 -11.337
  253   2HD2  ASN  38          1HD2      ASN  38  -9.438   5.466 -10.928
  254    H    ILE  39           H        ILE  39  -6.132   1.087  -8.825
  255    HA   ILE  39           HA       ILE  39  -3.732   1.848  -7.473
  256    HB   ILE  39           HB       ILE  39  -4.937  -0.561  -8.296
  257   1HG1  ILE  39          1HG1      ILE  39  -2.728  -1.419  -7.054
  258   2HG1  ILE  39          2HG1      ILE  39  -2.581   0.300  -6.684
  259   1HG2  ILE  39          1HG2      ILE  39  -3.414  -0.315 -10.369
  260   2HG2  ILE  39          3HG2      ILE  39  -2.082  -0.638  -9.258
  261   3HG2  ILE  39          2HG2      ILE  39  -3.355  -1.839  -9.482
  262   1HD1  ILE  39          3HD1      ILE  39  -5.133   0.073  -6.053
  263   2HD1  ILE  39          2HD1      ILE  39  -4.727  -1.635  -5.875
  264   3HD1  ILE  39          1HD1      ILE  39  -3.892  -0.422  -4.902
  265    H    LEU  40           H        LEU  40  -1.754   2.400  -8.157
  266    HA   LEU  40           HA       LEU  40  -1.413   2.946 -11.078
  267   1HB   LEU  40          1HB       LEU  40   0.376   4.251  -9.073
  268   2HB   LEU  40          2HB       LEU  40  -0.255   4.887 -10.587
  269    HG   LEU  40           HG       LEU  40  -1.963   4.456  -8.118
  270   1HD1  LEU  40          2HD1      LEU  40   0.034   6.420  -8.573
  271   2HD1  LEU  40          1HD1      LEU  40  -1.526   7.217  -8.771
  272   3HD1  LEU  40          3HD1      LEU  40  -1.153   6.368  -7.273
  273   1HD2  LEU  40          1HD2      LEU  40  -2.377   5.968 -10.714
  274   2HD2  LEU  40          3HD2      LEU  40  -3.228   4.511 -10.200
  275   3HD2  LEU  40          2HD2      LEU  40  -3.475   6.027  -9.336
  276    H    GLN  41           H        GLN  41  -0.157   1.396  -8.219
  277    HA   GLN  41           HA       GLN  41   1.646  -0.251  -9.804
  278   1HB   GLN  41          1HB       GLN  41   3.229   1.467  -9.718
  279   2HB   GLN  41          2HB       GLN  41   2.685   2.041  -8.151
  280   1HG   GLN  41          1HG       GLN  41   3.898  -0.693  -8.320
  281   2HG   GLN  41          2HG       GLN  41   4.963   0.700  -8.412
  282   1HE2  GLN  41          2HE2      GLN  41   2.846   1.134  -5.010
  283   2HE2  GLN  41          1HE2      GLN  41   2.117   1.332  -6.514
  284    H    TYR  42           H        TYR  42   2.594  -2.007  -8.378
  285    HA   TYR  42           HA       TYR  42   1.359  -2.177  -5.677
  286   1HB   TYR  42          1HB       TYR  42  -0.119  -3.182  -7.537
  287   2HB   TYR  42          2HB       TYR  42   1.097  -4.444  -7.664
  288    HD1  TYR  42           HD1      TYR  42  -1.000  -2.688  -5.097
  289    HD2  TYR  42           HD2      TYR  42   0.920  -6.331  -6.299
  290    HE1  TYR  42           HE1      TYR  42  -2.036  -3.864  -3.176
  291    HE2  TYR  42           HE2      TYR  42  -0.122  -7.508  -4.394
  292    HH   TYR  42           HH       TYR  42  -1.273  -7.273  -2.464
  293    H    ASN  43           H        ASN  43   2.966  -4.503  -7.847
  294    HA   ASN  43           HA       ASN  43   5.260  -5.227  -7.731
  295   1HB   ASN  43          1HB       ASN  43   6.650  -4.979  -5.891
  296   2HB   ASN  43          2HB       ASN  43   5.616  -3.568  -5.728
  297   1HD2  ASN  43          2HD2      ASN  43   5.840  -5.359  -2.423
  298   2HD2  ASN  43          1HD2      ASN  43   7.001  -4.741  -3.495
  299    H    ALA  44           H        ALA  44   6.172  -7.278  -6.356
  300    HA   ALA  44           HA       ALA  44   3.896  -9.171  -6.466
  301   1HB   ALA  44          2HB       ALA  44   6.384  -9.314  -7.533
  302   2HB   ALA  44          1HB       ALA  44   6.622 -10.219  -6.038
  303   3HB   ALA  44          3HB       ALA  44   5.382 -10.724  -7.187
  304    H    ALA  45           H        ALA  45   6.136  -7.912  -4.043
  305    HA   ALA  45           HA       ALA  45   6.072  -9.965  -2.133
  306   1HB   ALA  45          3HB       ALA  45   6.785  -7.241  -2.140
  307   2HB   ALA  45          2HB       ALA  45   5.621  -7.413  -0.828
  308   3HB   ALA  45          1HB       ALA  45   7.078  -8.403  -0.848
  309    H    GLU  46           H        GLU  46   3.852  -7.218  -2.055
  310    HA   GLU  46           HA       GLU  46   2.059  -8.343  -0.172
  311   1HB   GLU  46          1HB       GLU  46   0.328  -6.789  -1.508
  312   2HB   GLU  46          2HB       GLU  46   1.527  -6.133  -0.418
  313   1HG   GLU  46          1HG       GLU  46   3.038  -5.732  -2.316
  314   2HG   GLU  46          2HG       GLU  46   1.817  -6.356  -3.417
  315    HE2  GLU  46           HE1      GLU  46   1.640  -3.616  -4.192
  316    H    GLY  47           H        GLY  47   1.736  -8.216  -3.691
  317   1HA   GLY  47          1HA       GLY  47  -0.669  -9.726  -3.827
  318   2HA   GLY  47          2HA       GLY  47   0.522  -9.634  -5.139
  319    H    ASP  48           H        ASP  48   2.511 -10.772  -2.944
  320    HA   ASP  48           HA       ASP  48   2.135 -13.543  -3.787
  321   1HB   ASP  48          1HB       ASP  48   4.207 -11.983  -2.368
  322   2HB   ASP  48          2HB       ASP  48   4.056 -13.659  -1.842
  323    H    ILE  49           H        ILE  49   1.651 -11.646  -0.850
  324    HA   ILE  49           HA       ILE  49   0.831 -14.007   0.674
  325    HB   ILE  49           HB       ILE  49   1.672 -11.325   1.220
  326   1HG1  ILE  49          1HG1      ILE  49   2.727 -13.355   2.082
  327   2HG1  ILE  49          2HG1      ILE  49   2.203 -12.326   3.415
  328   1HG2  ILE  49          3HG2      ILE  49  -0.830 -12.219   2.658
  329   2HG2  ILE  49          2HG2      ILE  49   0.248 -10.956   3.255
  330   3HG2  ILE  49          1HG2      ILE  49  -0.611 -10.735   1.730
  331   1HD1  ILE  49          3HD1      ILE  49   0.001 -13.722   3.310
  332   2HD1  ILE  49          2HD1      ILE  49   0.981 -14.887   2.419
  333   3HD1  ILE  49          1HD1      ILE  49   1.424 -14.439   4.065
  334    H    THR  50           H        THR  50  -0.745 -10.958  -0.311
  335    HA   THR  50           HA       THR  50  -3.400 -11.970   0.283
  336    HB   THR  50           HB       THR  50  -4.192  -9.821  -0.499
  337    HG1  THR  50           HG1      THR  50  -2.485  -8.447  -1.498
  338   1HG2  THR  50          1HG2      THR  50  -2.641  -9.996   1.600
  339   2HG2  THR  50          3HG2      THR  50  -1.478  -9.136   0.591
  340   3HG2  THR  50          2HG2      THR  50  -3.041  -8.403   0.955
  341    H    GLY  51           H        GLY  51  -1.333 -11.967  -2.503
  342   1HA   GLY  51          1HA       GLY  51  -1.757 -13.351  -4.429
  343   2HA   GLY  51          2HA       GLY  51  -3.470 -13.320  -4.018
  344    H    ARG  52           H        ARG  52  -3.067 -10.290  -3.519
  345    HA   ARG  52           HA       ARG  52  -4.224  -9.210  -5.791
  346   1HB   ARG  52          1HB       ARG  52  -2.598  -8.163  -3.578
  347   2HB   ARG  52          2HB       ARG  52  -2.548  -7.176  -5.030
  348   1HG   ARG  52          1HG       ARG  52  -5.244  -7.836  -4.751
  349   2HG   ARG  52          2HG       ARG  52  -4.706  -7.490  -3.109
  350   1HD   ARG  52          1HD       ARG  52  -3.523  -5.540  -4.813
  351   2HD   ARG  52          2HD       ARG  52  -5.218  -5.644  -5.247
  352    HE   ARG  52           HE       ARG  52  -5.411  -5.387  -2.535
  353   1HH1  ARG  52          2HH1      ARG  52  -3.817  -3.632  -5.071
  354   2HH1  ARG  52          1HH1      ARG  52  -3.628  -2.200  -4.117
  355   1HH2  ARG  52          1HH2      ARG  52  -5.039  -3.557  -1.270
  356   2HH2  ARG  52          2HH2      ARG  52  -4.316  -2.157  -1.985
  357    H    ASP  53           H        ASP  53  -3.362 -10.013  -7.745
  358    HA   ASP  53           HA       ASP  53  -0.545  -9.961  -8.368
  359   1HB   ASP  53          1HB       ASP  53  -3.030 -10.130 -10.093
  360   2HB   ASP  53          2HB       ASP  53  -1.403 -10.136 -10.775
  361    HA   PRO  54           HA       PRO  54  -0.160  -5.701  -9.397
  362   1HB   PRO  54          1HB       PRO  54   1.837  -5.809 -11.287
  363   2HB   PRO  54          2HB       PRO  54   2.118  -6.032  -9.552
  364   1HG   PRO  54          1HG       PRO  54   2.088  -8.076 -11.723
  365   2HG   PRO  54          2HG       PRO  54   2.934  -8.104 -10.168
  366   1HD   PRO  54          1HD       PRO  54   0.534  -9.480 -10.783
  367   2HD   PRO  54          2HD       PRO  54   1.219  -9.242  -9.161
  368    H    LYS  55           H        LYS  55  -0.317  -7.884 -12.206
  369    HA   LYS  55           HA       LYS  55  -1.224  -5.799 -14.009
  370   1HB   LYS  55          1HB       LYS  55  -1.698  -7.782 -15.531
  371   2HB   LYS  55          2HB       LYS  55  -0.027  -7.636 -14.986
  372   1HG   LYS  55          1HG       LYS  55  -0.123  -9.621 -13.922
  373   2HG   LYS  55          2HG       LYS  55  -1.603  -9.158 -13.083
  374   1HD   LYS  55          1HD       LYS  55  -2.870  -9.689 -15.202
  375   2HD   LYS  55          2HD       LYS  55  -1.374 -10.357 -15.856
  376   1HE   LYS  55          1HE       LYS  55  -1.538 -11.550 -13.364
  377   2HE   LYS  55          2HE       LYS  55  -3.222 -11.503 -13.886
  378   1HZ   LYS  55          3HZ       LYS  55  -2.490 -12.492 -16.013
  379   2HZ   LYS  55          2HZ       LYS  55  -0.925 -12.659 -15.370
  380   3HZ   LYS  55          1HZ       LYS  55  -2.227 -13.508 -14.680
  381    H    GLN  56           H        GLN  56  -2.766  -8.075 -11.850
  382    HA   GLN  56           HA       GLN  56  -5.392  -7.755 -13.120
  383   1HB   GLN  56          1HB       GLN  56  -4.597  -9.845 -11.877
  384   2HB   GLN  56          2HB       GLN  56  -4.830  -8.927 -10.389
  385   1HG   GLN  56          1HG       GLN  56  -6.947  -9.778 -10.514
  386   2HG   GLN  56          2HG       GLN  56  -7.195  -8.434 -11.629
  387   1HE2  GLN  56          2HE2      GLN  56  -7.784 -10.560 -14.368
  388   2HE2  GLN  56          1HE2      GLN  56  -7.911  -9.006 -13.695
  389    H    VAL  57           H        VAL  57  -3.829  -6.664 -10.102
  390    HA   VAL  57           HA       VAL  57  -6.124  -5.156  -9.216
  391    HB   VAL  57           HB       VAL  57  -4.596  -4.141  -7.599
  392   1HG1  VAL  57          3HG1      VAL  57  -4.223  -7.094  -8.132
  393   2HG1  VAL  57          2HG1      VAL  57  -3.640  -6.305  -6.668
  394   3HG1  VAL  57          1HG1      VAL  57  -5.367  -6.336  -7.027
  395   1HG2  VAL  57          1HG2      VAL  57  -2.560  -5.200  -9.531
  396   2HG2  VAL  57          3HG2      VAL  57  -2.592  -3.657  -8.677
  397   3HG2  VAL  57          2HG2      VAL  57  -2.139  -5.130  -7.820
  398    H    ILE  58           H        ILE  58  -3.974  -4.637 -11.771
  399    HA   ILE  58           HA       ILE  58  -3.742  -1.777 -11.589
  400    HB   ILE  58           HB       ILE  58  -2.974  -3.901 -13.443
  401   1HG1  ILE  58          1HG1      ILE  58  -2.023  -1.051 -13.045
  402   2HG1  ILE  58          2HG1      ILE  58  -1.478  -2.447 -12.116
  403   1HG2  ILE  58          2HG2      ILE  58  -3.985  -1.306 -14.661
  404   2HG2  ILE  58          1HG2      ILE  58  -2.899  -2.423 -15.486
  405   3HG2  ILE  58          3HG2      ILE  58  -4.528  -2.939 -15.047
  406   1HD1  ILE  58          1HD1      ILE  58  -1.094  -3.356 -14.658
  407   2HD1  ILE  58          3HD1      ILE  58  -0.787  -1.634 -14.877
  408   3HD1  ILE  58          2HD1      ILE  58   0.156  -2.556 -13.707
  409    H    GLY  59           H        GLY  59  -5.333  -0.351 -11.839
  410   1HA   GLY  59          1HA       GLY  59  -7.215   0.663 -12.931
  411   2HA   GLY  59          2HA       GLY  59  -7.515  -0.862 -13.770
  412    H    LYS  60           H        LYS  60  -7.098  -2.111 -10.915
  413    HA   LYS  60           HA       LYS  60  -9.942  -2.180 -10.273
  414   1HB   LYS  60          1HB       LYS  60  -7.688  -3.342  -8.618
  415   2HB   LYS  60          2HB       LYS  60  -9.367  -3.877  -8.689
  416   1HG   LYS  60          1HG       LYS  60  -7.348  -4.045 -10.948
  417   2HG   LYS  60          2HG       LYS  60  -7.946  -5.397  -9.986
  418   1HD   LYS  60          1HD       LYS  60 -10.191  -5.096 -10.829
  419   2HD   LYS  60          2HD       LYS  60  -9.737  -3.597 -11.639
  420   1HE   LYS  60          1HE       LYS  60  -8.095  -4.923 -13.013
  421   2HE   LYS  60          2HE       LYS  60  -8.768  -6.391 -12.301
  422   1HZ   LYS  60          1HZ       LYS  60 -10.643  -4.476 -13.459
  423   2HZ   LYS  60          3HZ       LYS  60  -9.688  -5.370 -14.539
  424   3HZ   LYS  60          2HZ       LYS  60 -10.698  -6.175 -13.435
  425    H    ASN  61           H        ASN  61 -10.911  -1.284  -8.432
  426    HA   ASN  61           HA       ASN  61  -9.502   0.998  -7.248
  427   1HB   ASN  61          1HB       ASN  61 -12.280  -0.029  -7.329
  428   2HB   ASN  61          2HB       ASN  61 -11.827   0.804  -5.841
  429   1HD2  ASN  61          2HD2      ASN  61 -11.296   3.039  -9.250
  430   2HD2  ASN  61          1HD2      ASN  61 -10.748   1.432  -9.216
  431    H    PHE  62           H        PHE  62  -8.131   0.642  -5.576
  432    HA   PHE  62           HA       PHE  62  -8.005  -1.779  -4.079
  433   1HB   PHE  62          1HB       PHE  62  -6.046  -0.440  -4.114
  434   2HB   PHE  62          2HB       PHE  62  -6.923   1.005  -3.627
  435    HD1  PHE  62           HD1      PHE  62  -7.400  -2.306  -2.041
  436    HD2  PHE  62           HD2      PHE  62  -5.558   1.544  -1.704
  437    HE1  PHE  62           HE1      PHE  62  -6.773  -2.808   0.299
  438    HE2  PHE  62           HE2      PHE  62  -4.970   1.056   0.656
  439    HZ   PHE  62           HZ       PHE  62  -5.598  -1.135   1.651
  440    H    PHE  63           H        PHE  63  -9.773   1.208  -3.494
  441    HA   PHE  63           HA       PHE  63 -10.574   0.130  -0.874
  442   1HB   PHE  63          1HB       PHE  63 -10.861   2.827  -2.189
  443   2HB   PHE  63          2HB       PHE  63 -11.772   2.429  -0.733
  444    HD1  PHE  63           HD2      PHE  63 -10.516   1.641   1.318
  445    HD2  PHE  63           HD1      PHE  63  -8.558   3.392  -2.075
  446    HE1  PHE  63           HE2      PHE  63  -8.522   2.094   2.708
  447    HE2  PHE  63           HE1      PHE  63  -6.554   3.846  -0.686
  448    HZ   PHE  63           HZ       PHE  63  -6.536   3.197   1.707
  449    H    LYS  64           H        LYS  64 -11.700  -0.610  -3.766
  450    HA   LYS  64           HA       LYS  64 -14.506  -0.673  -2.772
  451   1HB   LYS  64          1HB       LYS  64 -13.555   0.882  -5.011
  452   2HB   LYS  64          2HB       LYS  64 -14.716  -0.328  -5.559
  453   1HG   LYS  64          1HG       LYS  64 -15.316   1.282  -3.096
  454   2HG   LYS  64          2HG       LYS  64 -15.577   2.002  -4.686
  455   1HD   LYS  64          1HD       LYS  64 -17.635   1.003  -4.407
  456   2HD   LYS  64          2HD       LYS  64 -16.769  -0.356  -5.124
  457   1HE   LYS  64          1HE       LYS  64 -16.737  -1.537  -3.171
  458   2HE   LYS  64          2HE       LYS  64 -16.495  -0.093  -2.188
  459   1HZ   LYS  64          3HZ       LYS  64 -18.953   0.344  -3.063
  460   2HZ   LYS  64          2HZ       LYS  64 -18.966  -1.355  -3.062
  461   3HZ   LYS  64          1HZ       LYS  64 -18.625  -0.505  -1.631
  462    H    ASP  65           H        ASP  65 -12.452  -1.828  -5.496
  463    HA   ASP  65           HA       ASP  65 -13.987  -4.381  -5.327
  464   1HB   ASP  65          1HB       ASP  65 -12.711  -2.892  -7.579
  465   2HB   ASP  65          2HB       ASP  65 -12.803  -4.651  -7.686
  466    H    VAL  66           H        VAL  66 -11.269  -3.454  -3.884
  467    HA   VAL  66           HA       VAL  66  -9.845  -5.975  -4.651
  468    HB   VAL  66           HB       VAL  66  -8.571  -3.469  -3.566
  469   1HG1  VAL  66          3HG1      VAL  66  -7.562  -6.028  -4.799
  470   2HG1  VAL  66          2HG1      VAL  66  -6.566  -4.588  -4.611
  471   3HG1  VAL  66          1HG1      VAL  66  -7.223  -5.392  -3.187
  472   1HG2  VAL  66          3HG2      VAL  66  -9.655  -3.345  -5.940
  473   2HG2  VAL  66          2HG2      VAL  66  -8.004  -2.769  -5.707
  474   3HG2  VAL  66          1HG2      VAL  66  -8.293  -4.361  -6.406
  475    H    ALA  67           H        ALA  67 -10.122  -3.512  -2.115
  476    HA   ALA  67           HA       ALA  67  -9.798  -5.678  -0.089
  477   1HB   ALA  67          2HB       ALA  67  -8.691  -2.968  -0.419
  478   2HB   ALA  67          1HB       ALA  67  -9.217  -3.362   1.218
  479   3HB   ALA  67          3HB       ALA  67  -8.014  -4.369   0.411
  480    HA   PRO  68           HA       PRO  68 -14.013  -4.178   0.755
  481   1HB   PRO  68          1HB       PRO  68 -14.814  -6.476   2.038
  482   2HB   PRO  68          2HB       PRO  68 -14.870  -6.263   0.279
  483   1HG   PRO  68          1HG       PRO  68 -12.942  -7.847   1.921
  484   2HG   PRO  68          2HG       PRO  68 -13.473  -8.108   0.252
  485   1HD   PRO  68          1HD       PRO  68 -11.021  -6.960   1.020
  486   2HD   PRO  68          2HD       PRO  68 -11.744  -6.859  -0.599
  487    H    CYS  69           H        CYS  69 -11.326  -4.700   2.671
  488    HA   CYS  69           HA       CYS  69 -12.827  -4.121   5.178
  489   1HB   CYS  69          1HB       CYS  69 -11.084  -5.154   6.403
  490   2HB   CYS  69          2HB       CYS  69 -11.290  -6.197   5.000
  491    H    THR  70           H        THR  70 -10.553  -2.851   2.881
  492    HA   THR  70           HA       THR  70  -9.486  -0.836   4.728
  493    HB   THR  70           HB       THR  70  -8.345   0.049   2.695
  494    HG1  THR  70           HG1      THR  70 -10.208  -0.747   1.350
  495   1HG2  THR  70          3HG2      THR  70  -8.211  -2.793   3.572
  496   2HG2  THR  70          2HG2      THR  70  -7.327  -2.367   2.108
  497   3HG2  THR  70          1HG2      THR  70  -6.973  -1.538   3.623
  498    H    ASP  71           H        ASP  71 -12.459  -1.144   3.338
  499    HA   ASP  71           HA       ASP  71 -12.770   1.681   2.547
  500   1HB   ASP  71          1HB       ASP  71 -13.961  -0.477   1.551
  501   2HB   ASP  71          2HB       ASP  71 -15.095  -0.178   2.868
  502    H    SER  72           H        SER  72 -11.997   1.972   5.007
  503    HA   SER  72           HA       SER  72 -14.501   2.442   6.557
  504   1HB   SER  72          1HB       SER  72 -12.191   1.798   8.236
  505   2HB   SER  72          2HB       SER  72 -13.839   1.181   8.315
  506    HG   SER  72           HG       SER  72 -13.213  -0.514   7.248
  507    HA   PRO  73           HA       PRO  73 -12.685   6.342   7.529
  508   1HB   PRO  73          1HB       PRO  73 -13.172   6.674  10.212
  509   2HB   PRO  73          2HB       PRO  73 -14.430   6.773   8.967
  510   1HG   PRO  73          1HG       PRO  73 -13.902   4.593  10.928
  511   2HG   PRO  73          2HG       PRO  73 -15.417   5.036  10.122
  512   1HD   PRO  73          1HD       PRO  73 -13.718   2.877   9.419
  513   2HD   PRO  73          2HD       PRO  73 -15.070   3.508   8.453
  514    H    GLU  74           H        GLU  74 -11.180   3.603   8.703
  515    HA   GLU  74           HA       GLU  74  -9.075   5.154  10.098
  516   1HB   GLU  74          1HB       GLU  74  -9.456   2.161  10.076
  517   2HB   GLU  74          2HB       GLU  74  -8.382   3.090  11.122
  518   1HG   GLU  74          1HG       GLU  74 -11.152   4.024  11.256
  519   2HG   GLU  74          2HG       GLU  74 -10.986   2.336  11.742
  520    H    PHE  75           H        PHE  75  -9.766   3.094   7.383
  521    HA   PHE  75           HA       PHE  75  -6.887   3.128   6.584
  522   1HB   PHE  75          1HB       PHE  75  -8.469   0.992   6.578
  523   2HB   PHE  75          2HB       PHE  75  -9.009   1.665   5.040
  524    HD1  PHE  75           HD2      PHE  75  -6.922   2.640   3.579
  525    HD2  PHE  75           HD1      PHE  75  -6.724  -0.552   6.447
  526    HE1  PHE  75           HE2      PHE  75  -4.893   1.768   2.467
  527    HE2  PHE  75           HE1      PHE  75  -4.675  -1.415   5.337
  528    HZ   PHE  75           HZ       PHE  75  -3.762  -0.255   3.347
  529    H    TYR  76           H        TYR  76 -10.013   3.291   4.816
  530    HA   TYR  76           HA       TYR  76  -8.892   5.145   2.878
  531   1HB   TYR  76          1HB       TYR  76 -10.846   3.524   2.474
  532   2HB   TYR  76          2HB       TYR  76 -11.842   4.679   3.362
  533    HD1  TYR  76           HD1      TYR  76  -9.073   4.991   0.840
  534    HD2  TYR  76           HD2      TYR  76 -13.099   6.023   1.928
  535    HE1  TYR  76           HE1      TYR  76  -9.258   6.403  -1.194
  536    HE2  TYR  76           HE2      TYR  76 -13.286   7.431  -0.105
  537    HH   TYR  76           HH       TYR  76 -10.861   8.582  -1.768
  538    H    GLY  77           H        GLY  77 -10.241   5.430   6.026
  539   1HA   GLY  77          1HA       GLY  77 -11.376   8.050   5.875
  540   2HA   GLY  77          2HA       GLY  77 -10.766   7.290   7.336
  541    H    LYS  78           H        LYS  78  -8.210   7.059   7.190
  542    HA   LYS  78           HA       LYS  78  -7.186   9.732   7.291
  543   1HB   LYS  78          1HB       LYS  78  -5.411   7.324   6.938
  544   2HB   LYS  78          2HB       LYS  78  -5.122   8.778   7.891
  545   1HG   LYS  78          1HG       LYS  78  -6.861   6.412   8.532
  546   2HG   LYS  78          2HG       LYS  78  -5.668   7.211   9.548
  547   1HD   LYS  78          1HD       LYS  78  -7.401   9.259   9.220
  548   2HD   LYS  78          2HD       LYS  78  -8.524   7.908   9.051
  549   1HE   LYS  78          1HE       LYS  78  -8.560   7.736  11.299
  550   2HE   LYS  78          2HE       LYS  78  -6.870   7.236  11.235
  551   1HZ   LYS  78          2HZ       LYS  78  -6.295   9.647  11.211
  552   2HZ   LYS  78          1HZ       LYS  78  -7.927   9.990  11.538
  553   3HZ   LYS  78          3HZ       LYS  78  -7.007   9.107  12.656
  554    H    PHE  79           H        PHE  79  -7.673   7.604   4.667
  555    HA   PHE  79           HA       PHE  79  -5.649   8.780   2.955
  556   1HB   PHE  79          1HB       PHE  79  -6.309   6.501   2.546
  557   2HB   PHE  79          2HB       PHE  79  -8.005   6.963   2.468
  558    HD1  PHE  79           HD1      PHE  79  -8.739   8.552   0.583
  559    HD2  PHE  79           HD2      PHE  79  -4.955   6.505   0.574
  560    HE1  PHE  79           HE1      PHE  79  -8.556   8.877  -1.874
  561    HE2  PHE  79           HE2      PHE  79  -4.810   6.805  -1.860
  562    HZ   PHE  79           HZ       PHE  79  -6.579   8.000  -3.085
  563    H    LYS  80           H        LYS  80  -9.109   9.138   3.514
  564    HA   LYS  80           HA       LYS  80  -9.444  11.062   1.402
  565   1HB   LYS  80          1HB       LYS  80 -11.139   9.586   3.164
  566   2HB   LYS  80          2HB       LYS  80 -11.500  11.302   3.366
  567   1HG   LYS  80          1HG       LYS  80 -11.224  10.994   0.606
  568   2HG   LYS  80          2HG       LYS  80 -12.093   9.545   1.114
  569   1HD   LYS  80          1HD       LYS  80 -12.884  12.351   1.937
  570   2HD   LYS  80          2HD       LYS  80 -13.592  11.496   0.567
  571   1HE   LYS  80          1HE       LYS  80 -14.048   9.591   2.280
  572   2HE   LYS  80          2HE       LYS  80 -13.784  10.836   3.501
  573   1HZ   LYS  80          2HZ       LYS  80 -15.452  12.195   2.206
  574   2HZ   LYS  80          1HZ       LYS  80 -15.846  10.765   1.380
  575   3HZ   LYS  80          3HZ       LYS  80 -16.069  10.860   3.058
  576    H    GLU  81           H        GLU  81  -8.031  11.099   4.443
  577    HA   GLU  81           HA       GLU  81  -8.701  13.956   4.964
  578   1HB   GLU  81          1HB       GLU  81  -6.919  12.139   6.612
  579   2HB   GLU  81          2HB       GLU  81  -7.689  13.643   7.121
  580   1HG   GLU  81          1HG       GLU  81  -9.703  11.850   6.122
  581   2HG   GLU  81          2HG       GLU  81  -8.730  11.009   7.330
  582    H    GLY  82           H        GLY  82  -6.017  11.801   4.257
  583   1HA   GLY  82          1HA       GLY  82  -3.976  13.855   4.204
  584   2HA   GLY  82          2HA       GLY  82  -3.833  12.243   3.490
  585    H    VAL  83           H        VAL  83  -6.086  12.356   1.807
  586    HA   VAL  83           HA       VAL  83  -5.007  13.631  -0.519
  587    HB   VAL  83           HB       VAL  83  -7.860  12.757   0.037
  588   1HG1  VAL  83          2HG1      VAL  83  -6.514  13.928  -2.295
  589   2HG1  VAL  83          1HG1      VAL  83  -7.341  12.412  -2.651
  590   3HG1  VAL  83          3HG1      VAL  83  -8.236  13.762  -1.956
  591   1HG2  VAL  83          2HG2      VAL  83  -5.622  11.179   0.042
  592   2HG2  VAL  83          1HG2      VAL  83  -7.233  10.619  -0.405
  593   3HG2  VAL  83          3HG2      VAL  83  -6.094  11.109  -1.654
  594    H    ALA  84           H        ALA  84  -7.454  14.634   1.838
  595    HA   ALA  84           HA       ALA  84  -7.958  17.141   0.356
  596   1HB   ALA  84          2HB       ALA  84  -9.226  15.688   2.624
  597   2HB   ALA  84          1HB       ALA  84  -9.397  17.443   2.603
  598   3HB   ALA  84          3HB       ALA  84  -9.972  16.484   1.240
  599    H    SER  85           H        SER  85  -5.652  16.127   2.575
  600    HA   SER  85           HA       SER  85  -5.507  18.824   3.846
  601   1HB   SER  85          1HB       SER  85  -5.508  16.652   5.241
  602   2HB   SER  85          2HB       SER  85  -3.870  16.415   4.638
  603    HG   SER  85           HG       SER  85  -3.194  18.072   5.792
  604    H    GLY  86           H        GLY  86  -3.959  16.788   1.530
  605   1HA   GLY  86          1HA       GLY  86  -2.210  17.363   0.050
  606   2HA   GLY  86          2HA       GLY  86  -2.030  18.892   0.917
  607    H    ASN  87           H        ASN  87  -2.047  16.019   2.850
  608    HA   ASN  87           HA       ASN  87   0.864  15.667   2.767
  609   1HB   ASN  87          1HB       ASN  87  -0.513  17.207   4.918
  610   2HB   ASN  87          2HB       ASN  87   0.751  16.081   5.415
  611   1HD2  ASN  87          2HD2      ASN  87   1.828  19.594   3.841
  612   2HD2  ASN  87          1HD2      ASN  87   0.257  19.252   4.385
  613    H    LEU  88           H        LEU  88  -0.818  13.735   2.141
  614    HA   LEU  88           HA       LEU  88  -2.025  12.178   4.152
  615   1HB   LEU  88          1HB       LEU  88  -1.914  11.867   1.535
  616   2HB   LEU  88          2HB       LEU  88  -0.546  10.826   1.924
  617    HG   LEU  88           HG       LEU  88  -2.973  10.436   3.580
  618   1HD1  LEU  88          1HD1      LEU  88  -2.837   9.653   0.652
  619   2HD1  LEU  88          3HD1      LEU  88  -4.012   9.015   1.802
  620   3HD1  LEU  88          2HD1      LEU  88  -4.016  10.732   1.399
  621   1HD2  LEU  88          2HD2      LEU  88  -0.924   9.064   3.810
  622   2HD2  LEU  88          1HD2      LEU  88  -2.297   8.078   3.306
  623   3HD2  LEU  88          3HD2      LEU  88  -1.077   8.562   2.126
  624    H    ASN  89           H        ASN  89  -1.156  11.277   5.915
  625    HA   ASN  89           HA       ASN  89   1.355   9.790   5.786
  626   1HB   ASN  89          1HB       ASN  89   2.438  11.113   7.612
  627   2HB   ASN  89          2HB       ASN  89   2.263  12.038   6.121
  628   1HD2  ASN  89          2HD2      ASN  89   1.019  14.168   8.927
  629   2HD2  ASN  89          1HD2      ASN  89   2.507  13.453   8.531
  630    H    THR  90           H        THR  90  -0.265   8.163   6.416
  631    HA   THR  90           HA       THR  90  -0.917   8.374   9.331
  632    HB   THR  90           HB       THR  90  -2.966   8.693   8.017
  633    HG1  THR  90           HG1      THR  90  -2.910   6.058   9.044
  634   1HG2  THR  90          1HG2      THR  90  -1.924   6.259   6.625
  635   2HG2  THR  90          3HG2      THR  90  -3.670   6.472   6.754
  636   3HG2  THR  90          2HG2      THR  90  -2.690   7.695   5.947
  637    H    MET  91           H        MET  91  -1.226   6.251  10.371
  638    HA   MET  91           HA       MET  91  -0.138   3.889   9.008
  639   1HB   MET  91          1HB       MET  91   1.943   4.922   9.704
  640   2HB   MET  91          2HB       MET  91   1.297   5.260  11.307
  641   1HG   MET  91          2HG       MET  91   1.137   2.419  10.594
  642   2HG   MET  91          1HG       MET  91   2.791   3.030  10.614
  643   1HE   MET  91          3HE       MET  91   1.277   0.951  12.000
  644   2HE   MET  91          2HE       MET  91   2.217   0.915  13.489
  645   3HE   MET  91          1HE       MET  91   0.495   1.287  13.553
  646    H    PHE  92           H        PHE  92  -0.681   1.957  10.157
  647    HA   PHE  92           HA       PHE  92  -1.773   2.014  12.821
  648   1HB   PHE  92          1HB       PHE  92  -4.147   1.512  12.146
  649   2HB   PHE  92          2HB       PHE  92  -3.636   3.171  11.843
  650    HD1  PHE  92           HD1      PHE  92  -3.853  -0.176  10.169
  651    HD2  PHE  92           HD2      PHE  92  -3.824   4.085   9.694
  652    HE1  PHE  92           HE1      PHE  92  -4.444  -0.439   7.777
  653    HE2  PHE  92           HE2      PHE  92  -4.410   3.822   7.298
  654    HZ   PHE  92           HZ       PHE  92  -4.700   1.554   6.341
  655    H    GLU  93           H        GLU  93  -2.277  -0.088  13.564
  656    HA   GLU  93           HA       GLU  93  -1.137  -2.249  11.953
  657   1HB   GLU  93          1HB       GLU  93  -1.644  -3.657  13.929
  658   2HB   GLU  93          2HB       GLU  93  -0.772  -2.195  14.394
  659   1HG   GLU  93          1HG       GLU  93  -3.416  -1.386  14.499
  660   2HG   GLU  93          2HG       GLU  93  -3.490  -3.045  15.095
  661    H    TYR  94           H        TYR  94  -2.433  -2.951  10.294
  662    HA   TYR  94           HA       TYR  94  -5.349  -3.181  10.836
  663   1HB   TYR  94          1HB       TYR  94  -4.035  -2.103   8.678
  664   2HB   TYR  94          2HB       TYR  94  -4.416  -3.726   8.101
  665    HD1  TYR  94           HD1      TYR  94  -5.942  -0.736   9.751
  666    HD2  TYR  94           HD2      TYR  94  -6.603  -4.272   7.405
  667    HE1  TYR  94           HE1      TYR  94  -8.302  -0.062   9.404
  668    HE2  TYR  94           HE2      TYR  94  -8.967  -3.599   7.061
  669    HH   TYR  94           HH       TYR  94 -10.144  -0.453   8.057
  670    H    THR  95           H        THR  95  -6.356  -5.077   9.603
  671    HA   THR  95           HA       THR  95  -4.660  -7.506   9.603
  672    HB   THR  95           HB       THR  95  -7.253  -7.237  11.166
  673    HG1  THR  95           HG1      THR  95  -4.558  -7.649  11.937
  674   1HG2  THR  95          2HG2      THR  95  -6.922  -9.425   9.982
  675   2HG2  THR  95          1HG2      THR  95  -5.414  -9.625  10.874
  676   3HG2  THR  95          3HG2      THR  95  -6.950  -9.570  11.739
  677    H    PHE  96           H        PHE  96  -4.978  -8.123   7.512
  678    HA   PHE  96           HA       PHE  96  -7.509  -7.519   6.167
  679   1HB   PHE  96          1HB       PHE  96  -5.131  -9.131   5.200
  680   2HB   PHE  96          2HB       PHE  96  -6.474  -8.579   4.201
  681    HD1  PHE  96           HD1      PHE  96  -6.847  -5.836   5.522
  682    HD2  PHE  96           HD2      PHE  96  -3.346  -7.920   4.155
  683    HE1  PHE  96           HE1      PHE  96  -5.695  -3.670   5.174
  684    HE2  PHE  96           HE2      PHE  96  -2.196  -5.749   3.807
  685    HZ   PHE  96           HZ       PHE  96  -3.370  -3.627   4.318
  686    H    ASP  97           H        ASP  97  -9.257  -8.739   6.445
  687    HA   ASP  97           HA       ASP  97  -8.917 -11.699   6.648
  688   1HB   ASP  97          1HB       ASP  97  -9.741 -10.161   8.752
  689   2HB   ASP  97          2HB       ASP  97 -11.285 -10.531   7.985
  690    H    TYR  98           H        TYR  98  -9.331 -10.266   4.289
  691    HA   TYR  98           HA       TYR  98 -12.163 -10.201   3.607
  692   1HB   TYR  98          1HB       TYR  98 -11.340  -9.772   1.299
  693   2HB   TYR  98          2HB       TYR  98 -10.618  -8.688   2.478
  694    HD1  TYR  98           HD2      TYR  98  -9.088 -11.820   3.043
  695    HD2  TYR  98           HD1      TYR  98  -9.129  -8.583   0.209
  696    HE1  TYR  98           HE2      TYR  98  -6.849 -12.462   2.260
  697    HE2  TYR  98           HE1      TYR  98  -6.857  -9.256  -0.568
  698    HH   TYR  98           HH       TYR  98  -4.891 -11.268   1.160
  699    H    GLN  99           H        GLN  99 -12.623 -12.449   4.264
  700    HA   GLN  99           HA       GLN  99 -13.001 -14.709   3.861
  701   1HB   GLN  99          1HB       GLN  99 -13.629 -15.309   1.643
  702   2HB   GLN  99          2HB       GLN  99 -14.081 -13.620   1.831
  703   1HG   GLN  99          1HG       GLN  99 -12.461 -12.878   0.358
  704   2HG   GLN  99          2HG       GLN  99 -11.364 -14.209   0.703
  705   1HE2  GLN  99          2HE2      GLN  99 -14.539 -15.151  -1.741
  706   2HE2  GLN  99          1HE2      GLN  99 -14.809 -14.179  -0.377
  707    H    MET 100           H        MET 100 -10.312 -14.021   4.482
  708    HA   MET 100           HA       MET 100  -8.965 -16.368   3.292
  709   1HB   MET 100          1HB       MET 100  -8.472 -14.046   2.058
  710   2HB   MET 100          2HB       MET 100  -7.370 -13.848   3.420
  711   1HG   MET 100          2HG       MET 100  -5.956 -15.479   2.684
  712   2HG   MET 100          1HG       MET 100  -7.274 -16.496   2.102
  713   1HE   MET 100          3HE       MET 100  -5.239 -13.318   1.631
  714   2HE   MET 100          2HE       MET 100  -4.257 -14.618   0.964
  715   3HE   MET 100          1HE       MET 100  -4.849 -13.338  -0.093
  716    H    THR 101           H        THR 101  -6.611 -16.376   4.423
  717    HA   THR 101           HA       THR 101  -7.023 -16.745   7.201
  718    HB   THR 101           HB       THR 101  -5.117 -17.743   6.010
  719    HG1  THR 101           HG1      THR 101  -4.239 -15.852   7.929
  720   1HG2  THR 101          2HG2      THR 101  -4.798 -15.715   4.514
  721   2HG2  THR 101          1HG2      THR 101  -3.949 -14.958   5.860
  722   3HG2  THR 101          3HG2      THR 101  -3.312 -16.433   5.134
  723    HA   PRO 102           HA       PRO 102  -6.936 -12.597   8.686
  724   1HB   PRO 102          1HB       PRO 102  -6.090 -13.047  11.271
  725   2HB   PRO 102          2HB       PRO 102  -7.741 -13.350  10.704
  726   1HG   PRO 102          1HG       PRO 102  -5.558 -15.308  11.274
  727   2HG   PRO 102          2HG       PRO 102  -7.314 -15.524  11.375
  728   1HD   PRO 102          1HD       PRO 102  -5.694 -16.451   9.283
  729   2HD   PRO 102          2HD       PRO 102  -7.455 -16.258   9.202
  730    H    THR 103           H        THR 103  -5.137 -11.955   7.297
  731    HA   THR 103           HA       THR 103  -2.381 -12.309   8.162
  732    HB   THR 103           HB       THR 103  -3.694 -10.595   6.033
  733    HG1  THR 103           HG1      THR 103  -3.595 -12.608   5.314
  734   1HG2  THR 103          2HG2      THR 103  -1.650  -9.452   6.897
  735   2HG2  THR 103          1HG2      THR 103  -0.718 -10.908   6.552
  736   3HG2  THR 103          3HG2      THR 103  -1.459 -10.001   5.234
  737    H    LYS 104           H        LYS 104  -1.078 -10.818   9.211
  738    HA   LYS 104           HA       LYS 104  -2.470  -8.390  10.265
  739   1HB   LYS 104          1HB       LYS 104  -1.572 -10.336  11.852
  740   2HB   LYS 104          2HB       LYS 104  -0.026  -9.529  11.594
  741   1HG   LYS 104          1HG       LYS 104  -0.619  -7.719  12.833
  742   2HG   LYS 104          2HG       LYS 104  -2.265  -7.706  12.200
  743   1HD   LYS 104          1HD       LYS 104  -3.053  -8.851  13.977
  744   2HD   LYS 104          2HD       LYS 104  -1.758 -10.045  13.869
  745   1HE   LYS 104          1HE       LYS 104  -1.338  -9.026  15.944
  746   2HE   LYS 104          2HE       LYS 104  -0.257  -8.153  14.857
  747   1HZ   LYS 104          1HZ       LYS 104  -2.936  -7.074  15.058
  748   2HZ   LYS 104          3HZ       LYS 104  -2.021  -6.974  16.482
  749   3HZ   LYS 104          2HZ       LYS 104  -1.437  -6.274  15.049
  750    H    VAL 105           H        VAL 105  -1.435  -6.431   9.863
  751    HA   VAL 105           HA       VAL 105   1.395  -6.454   8.970
  752    HB   VAL 105           HB       VAL 105   0.877  -5.244   6.895
  753   1HG1  VAL 105          3HG1      VAL 105   0.829  -7.842   7.081
  754   2HG1  VAL 105          2HG1      VAL 105  -0.917  -7.673   6.913
  755   3HG1  VAL 105          1HG1      VAL 105   0.149  -7.110   5.629
  756   1HG2  VAL 105          3HG2      VAL 105  -1.828  -5.228   8.091
  757   2HG2  VAL 105          2HG2      VAL 105  -1.094  -4.095   6.957
  758   3HG2  VAL 105          1HG2      VAL 105  -1.795  -5.603   6.368
  759    H    LYS 106           H        LYS 106   2.369  -4.421   9.319
  760    HA   LYS 106           HA       LYS 106   0.646  -2.411  10.688
  761   1HB   LYS 106          1HB       LYS 106   2.826  -1.272  11.253
  762   2HB   LYS 106          2HB       LYS 106   2.697  -2.892  11.932
  763   1HG   LYS 106          1HG       LYS 106   3.844  -2.955   9.270
  764   2HG   LYS 106          2HG       LYS 106   4.779  -1.913  10.339
  765   1HD   LYS 106          1HD       LYS 106   3.919  -4.732  11.052
  766   2HD   LYS 106          2HD       LYS 106   5.500  -4.326  10.384
  767   1HE   LYS 106          1HE       LYS 106   4.402  -3.035  12.892
  768   2HE   LYS 106          2HE       LYS 106   5.403  -4.486  12.922
  769   1HZ   LYS 106          1HZ       LYS 106   7.098  -3.231  11.666
  770   2HZ   LYS 106          3HZ       LYS 106   6.148  -1.833  11.818
  771   3HZ   LYS 106          2HZ       LYS 106   6.790  -2.577  13.204
  772    H    VAL 107           H        VAL 107  -0.276  -1.120   9.199
  773    HA   VAL 107           HA       VAL 107   0.916  -0.821   6.550
  774    HB   VAL 107           HB       VAL 107  -1.202  -0.152   5.879
  775   1HG1  VAL 107          1HG1      VAL 107  -1.457  -2.011   7.674
  776   2HG1  VAL 107          3HG1      VAL 107  -2.290  -0.739   8.563
  777   3HG1  VAL 107          2HG1      VAL 107  -2.871  -1.226   6.973
  778   1HG2  VAL 107          2HG2      VAL 107  -0.800   2.084   7.319
  779   2HG2  VAL 107          1HG2      VAL 107  -2.331   1.684   6.591
  780   3HG2  VAL 107          3HG2      VAL 107  -2.055   1.342   8.292
  781    H    HIS 108           H        HIS 108   1.164   1.247   5.528
  782    HA   HIS 108           HA       HIS 108   1.552   3.658   7.101
  783   1HB   HIS 108          1HB       HIS 108   3.714   2.139   7.356
  784   2HB   HIS 108          2HB       HIS 108   4.080   2.788   5.755
  785    HD1  HIS 108           HD1      HIS 108   5.784   3.666   8.191
  786    HD2  HIS 108           HD2      HIS 108   2.434   5.752   6.834
  787    HE1  HIS 108           HE1      HIS 108   6.026   6.039   9.038
  788    H    MET 109           H        MET 109   0.321   4.772   5.614
  789    HA   MET 109           HA       MET 109   1.174   4.632   2.740
  790   1HB   MET 109          1HB       MET 109  -1.427   5.895   3.431
  791   2HB   MET 109          2HB       MET 109  -1.028   4.813   2.106
  792   1HG   MET 109          2HG       MET 109  -1.093   2.878   3.625
  793   2HG   MET 109          1HG       MET 109  -1.398   3.943   4.999
  794   1HE   MET 109          2HE       MET 109  -3.341   4.577   5.839
  795   2HE   MET 109          1HE       MET 109  -3.635   5.865   4.674
  796   3HE   MET 109          3HE       MET 109  -4.925   4.726   5.083
  797    H    LYS 110           H        LYS 110   1.549   6.681   1.599
  798    HA   LYS 110           HA       LYS 110   1.180   9.116   3.314
  799   1HB   LYS 110          1HB       LYS 110   3.617   7.940   3.233
  800   2HB   LYS 110          2HB       LYS 110   3.747   8.995   1.827
  801   1HG   LYS 110          1HG       LYS 110   3.213  10.938   3.179
  802   2HG   LYS 110          2HG       LYS 110   2.864   9.918   4.574
  803   1HD   LYS 110          1HD       LYS 110   5.433   9.157   3.775
  804   2HD   LYS 110          2HD       LYS 110   5.425  10.914   3.623
  805   1HE   LYS 110          1HE       LYS 110   4.233  10.794   5.981
  806   2HE   LYS 110          2HE       LYS 110   5.030   9.223   6.065
  807   1HZ   LYS 110          1HZ       LYS 110   6.676  11.425   5.143
  808   2HZ   LYS 110          3HZ       LYS 110   6.195  11.511   6.766
  809   3HZ   LYS 110          2HZ       LYS 110   7.052  10.157   6.207
  810    H    LYS 111           H        LYS 111   1.932  11.122   1.809
  811    HA   LYS 111           HA       LYS 111   0.315  10.826  -0.629
  812   1HB   LYS 111          1HB       LYS 111   0.034  12.838   0.736
  813   2HB   LYS 111          2HB       LYS 111   1.740  13.237   0.537
  814   1HG   LYS 111          1HG       LYS 111   0.616  12.783  -2.057
  815   2HG   LYS 111          2HG       LYS 111  -0.437  13.899  -1.188
  816   1HD   LYS 111          1HD       LYS 111   1.681  15.185  -0.556
  817   2HD   LYS 111          2HD       LYS 111   2.517  14.202  -1.760
  818   1HE   LYS 111          1HE       LYS 111   0.228  15.060  -3.089
  819   2HE   LYS 111          2HE       LYS 111   0.714  16.469  -2.146
  820   1HZ   LYS 111          1HZ       LYS 111   2.823  15.018  -3.538
  821   2HZ   LYS 111          3HZ       LYS 111   1.748  15.907  -4.504
  822   3HZ   LYS 111          2HZ       LYS 111   2.636  16.687  -3.282
  823    H    ALA 112           H        ALA 112   1.440   9.765  -2.205
  824    HA   ALA 112           HA       ALA 112   4.203   9.724  -2.647
  825   1HB   ALA 112          1HB       ALA 112   2.101   8.565  -3.843
  826   2HB   ALA 112          3HB       ALA 112   2.450   9.805  -5.047
  827   3HB   ALA 112          2HB       ALA 112   3.694   8.638  -4.595
  828    H    LEU 113           H        LEU 113   5.654  11.201  -3.465
  829    HA   LEU 113           HA       LEU 113   4.548  13.821  -4.356
  830   1HB   LEU 113          1HB       LEU 113   7.440  13.220  -3.712
  831   2HB   LEU 113          2HB       LEU 113   6.637  14.790  -3.750
  832    HG   LEU 113           HG       LEU 113   5.107  13.468  -1.913
  833   1HD1  LEU 113          1HD1      LEU 113   7.791  12.196  -2.028
  834   2HD1  LEU 113          3HD1      LEU 113   7.197  12.611  -0.420
  835   3HD1  LEU 113          2HD1      LEU 113   6.256  11.539  -1.459
  836   1HD2  LEU 113          3HD2      LEU 113   6.315  15.744  -1.852
  837   2HD2  LEU 113          2HD2      LEU 113   6.127  14.906  -0.312
  838   3HD2  LEU 113          1HD2      LEU 113   7.677  14.870  -1.152
  839    H    SER 114           H        SER 114   6.627  11.157  -5.371
  840    HA   SER 114           HA       SER 114   7.796  12.284  -7.672
  841   1HB   SER 114          1HB       SER 114   7.794   9.930  -8.565
  842   2HB   SER 114          2HB       SER 114   8.429  10.065  -6.927
  843    HG   SER 114           HG       SER 114   6.371   8.625  -7.804
  844    H    GLY 115           H        GLY 115   4.618  10.697  -7.331
  845   1HA   GLY 115          1HA       GLY 115   3.040  12.284  -8.865
  846   2HA   GLY 115          2HA       GLY 115   3.918  11.389 -10.105
  847    H    ASP 116           H        ASP 116   2.815  10.165  -6.945
  848    HA   ASP 116           HA       ASP 116   1.092   8.248  -8.460
  849   1HB   ASP 116          1HB       ASP 116   1.984   7.544  -5.702
  850   2HB   ASP 116          2HB       ASP 116   1.723   6.510  -7.097
  851    H    SER 117           H        SER 117   1.142  10.762  -6.154
  852    HA   SER 117           HA       SER 117  -0.674  11.860  -5.166
  853   1HB   SER 117          1HB       SER 117  -1.972  10.423  -7.045
  854   2HB   SER 117          2HB       SER 117  -2.615   9.658  -5.594
  855    HG   SER 117           HG       SER 117  -2.602  12.430  -6.227
  856    H    TYR 118           H        TYR 118  -1.464   8.397  -4.550
  857    HA   TYR 118           HA       TYR 118  -0.780   8.876  -1.678
  858   1HB   TYR 118          1HB       TYR 118  -3.349   7.508  -2.432
  859   2HB   TYR 118          2HB       TYR 118  -2.948   8.272  -0.897
  860    HD1  TYR 118           HD2      TYR 118  -2.608  10.850  -0.940
  861    HD2  TYR 118           HD1      TYR 118  -4.504   8.611  -4.071
  862    HE1  TYR 118           HE2      TYR 118  -3.668  12.920  -1.785
  863    HE2  TYR 118           HE1      TYR 118  -5.561  10.666  -4.913
  864    HH   TYR 118           HH       TYR 118  -4.669  13.819  -3.735
  865    H    TRP 119           H        TRP 119   0.616   7.189  -1.156
  866    HA   TRP 119           HA       TRP 119  -0.021   4.574  -2.356
  867   1HB   TRP 119          1HB       TRP 119   2.383   3.972  -2.018
  868   2HB   TRP 119          2HB       TRP 119   2.047   5.148  -3.273
  869    HD1  TRP 119           HD1      TRP 119   3.431   7.266  -3.171
  870    HE1  TRP 119           HE1      TRP 119   5.002   8.357  -1.455
  871    HE3  TRP 119           HE3      TRP 119   2.559   4.221   0.686
  872    HZ2  TRP 119           HZ2      TRP 119   5.810   7.924   1.266
  873    HZ3  TRP 119           HZ3      TRP 119   3.767   4.513   2.866
  874    HH2  TRP 119           HH2      TRP 119   5.372   6.369   3.144
  875    H    VAL 120           H        VAL 120  -0.112   2.766  -1.207
  876    HA   VAL 120           HA       VAL 120  -0.138   3.111   1.761
  877    HB   VAL 120           HB       VAL 120  -1.633   1.130   0.007
  878   1HG1  VAL 120          1HG1      VAL 120  -1.012   1.118   2.799
  879   2HG1  VAL 120          3HG1      VAL 120  -2.743   1.403   2.617
  880   3HG1  VAL 120          2HG1      VAL 120  -2.005  -0.024   1.892
  881   1HG2  VAL 120          1HG2      VAL 120  -2.308   3.816   1.101
  882   2HG2  VAL 120          3HG2      VAL 120  -2.874   3.025  -0.369
  883   3HG2  VAL 120          2HG2      VAL 120  -3.564   2.584   1.193
  884    H    PHE 121           H        PHE 121   1.418   1.926   2.826
  885    HA   PHE 121           HA       PHE 121   2.662  -0.320   1.310
  886   1HB   PHE 121          1HB       PHE 121   3.879   1.319   3.566
  887   2HB   PHE 121          2HB       PHE 121   4.672  -0.011   2.724
  888    HD1  PHE 121           HD1      PHE 121   3.141   0.978   0.005
  889    HD2  PHE 121           HD2      PHE 121   5.822   2.757   2.839
  890    HE1  PHE 121           HE1      PHE 121   3.967   2.514  -1.756
  891    HE2  PHE 121           HE2      PHE 121   6.606   4.330   1.086
  892    HZ   PHE 121           HZ       PHE 121   5.688   4.198  -1.203
  893    H    VAL 122           H        VAL 122   2.036  -2.263   2.030
  894    HA   VAL 122           HA       VAL 122   1.193  -2.448   4.866
  895    HB   VAL 122           HB       VAL 122   0.425  -3.865   2.368
  896   1HG1  VAL 122          3HG1      VAL 122   0.683  -5.352   5.002
  897   2HG1  VAL 122          2HG1      VAL 122  -0.261  -5.926   3.629
  898   3HG1  VAL 122          1HG1      VAL 122   1.490  -5.758   3.490
  899   1HG2  VAL 122          2HG2      VAL 122  -0.782  -2.361   4.336
  900   2HG2  VAL 122          1HG2      VAL 122  -1.634  -3.367   3.164
  901   3HG2  VAL 122          3HG2      VAL 122  -1.259  -4.003   4.766
  902    H    LYS 123           H        LYS 123   2.787  -3.059   6.186
  903    HA   LYS 123           HA       LYS 123   5.004  -4.720   5.091
  904   1HB   LYS 123          1HB       LYS 123   5.426  -2.573   6.439
  905   2HB   LYS 123          2HB       LYS 123   4.869  -3.476   7.840
  906   1HG   LYS 123          1HG       LYS 123   6.987  -4.212   8.057
  907   2HG   LYS 123          2HG       LYS 123   6.677  -5.204   6.632
  908   1HD   LYS 123          1HD       LYS 123   8.209  -4.022   5.500
  909   2HD   LYS 123          2HD       LYS 123   7.228  -2.576   5.709
  910   1HE   LYS 123          1HE       LYS 123   9.420  -2.130   6.630
  911   2HE   LYS 123          2HE       LYS 123   8.280  -2.267   7.968
  912   1HZ   LYS 123          3HZ       LYS 123   9.010  -4.777   7.796
  913   2HZ   LYS 123          2HZ       LYS 123  10.418  -4.082   7.150
  914   3HZ   LYS 123          1HZ       LYS 123   9.895  -3.654   8.708
  915    H    ARG 124           H        ARG 124   4.846  -6.893   5.404
  916    HA   ARG 124           HA       ARG 124   2.747  -7.983   7.055
  917   1HB   ARG 124          1HB       ARG 124   3.725  -9.159   5.075
  918   2HB   ARG 124          2HB       ARG 124   5.210  -9.409   5.991
  919   1HG   ARG 124          1HG       ARG 124   4.302 -11.072   7.246
  920   2HG   ARG 124          2HG       ARG 124   2.752 -10.241   7.394
  921   1HD   ARG 124          1HD       ARG 124   2.092 -10.946   5.171
  922   2HD   ARG 124          2HD       ARG 124   3.692 -11.623   4.864
  923    HE   ARG 124           HE       ARG 124   1.577 -13.006   6.171
  924   1HH1  ARG 124          1HH2      ARG 124   4.856 -13.102   5.523
  925   2HH1  ARG 124          2HH2      ARG 124   5.266 -14.177   6.817
  926   1HH2  ARG 124          2HH1      ARG 124   2.128 -14.040   8.282
  927   2HH2  ARG 124          1HH1      ARG 124   3.722 -14.709   8.378
  928    H    VAL 125           H        VAL 125   2.714  -8.286   9.185
  929    HA   VAL 125           HA       VAL 125   5.141  -7.771  10.758
  930    HB   VAL 125           HB       VAL 125   2.608  -8.691  12.064
  931   1HG1  VAL 125          1HG1      VAL 125   4.945  -6.961  12.588
  932   2HG1  VAL 125          3HG1      VAL 125   3.413  -6.378  13.239
  933   3HG1  VAL 125          2HG1      VAL 125   4.016  -7.970  13.697
  934   1HG2  VAL 125          3HG2      VAL 125   2.830  -6.342  10.263
  935   2HG2  VAL 125          2HG2      VAL 125   1.399  -7.230  10.783
  936   3HG2  VAL 125          1HG2      VAL 125   2.121  -6.026  11.847
  937    H2   HC4  69           H2       HC4  69  -7.007  -4.683   3.070
  938    H3   HC4  69           H3       HC4  69  -7.641  -7.223   1.500
  939    H2'  HC4  69           H2'      HC4  69  -5.944  -7.680  -0.240
  940    H3'  HC4  69           H3'      HC4  69  -3.867  -7.108  -1.465
  941    H5'  HC4  69           H5'      HC4  69  -3.421  -3.559   0.951
  942    H6'  HC4  69           H6'      HC4  69  -5.498  -4.143   2.151
   
  No H/Q in entry =         942
  Start of MODEL   22
    1   1H    MET   1           H3       MET   1  15.589  12.013  12.575
    2   2H    MET   1           H2       MET   1  15.202  13.574  12.028
    3   3H    MET   1           H1       MET   1  14.579  13.009  13.504
    4    HA   MET   1           HA       MET   1  12.764  12.686  12.186
    5   1HB   MET   1          1HB       MET   1  12.954  12.021   9.802
    6   2HB   MET   1          2HB       MET   1  13.841  13.509  10.137
    7   1HG   MET   1          2HG       MET   1  15.913  12.083  10.452
    8   2HG   MET   1          1HG       MET   1  14.982  10.721   9.833
    9   1HE   MET   1          1HE       MET   1  15.210   9.953   8.066
   10   2HE   MET   1          3HE       MET   1  15.006  10.664   6.459
   11   3HE   MET   1          2HE       MET   1  16.616  10.501   7.158
   12    H    GLU   2           H        GLU   2  11.868  10.549  11.036
   13    HA   GLU   2           HA       GLU   2  13.036   8.276  12.578
   14   1HB   GLU   2          1HB       GLU   2  10.252   8.825  11.535
   15   2HB   GLU   2          2HB       GLU   2  10.744   7.233  12.115
   16   1HG   GLU   2          1HG       GLU   2  11.558   9.287  13.988
   17   2HG   GLU   2          2HG       GLU   2   9.823   9.383  13.678
   18    H    HIS   3           H        HIS   3  12.907   6.123  11.485
   19    HA   HIS   3           HA       HIS   3  14.175   6.143   8.940
   20   1HB   HIS   3          1HB       HIS   3  13.050   4.120  10.765
   21   2HB   HIS   3          2HB       HIS   3  13.022   3.651   9.065
   22    HD1  HIS   3           HD1      HIS   3  14.914   1.884   9.986
   23    HD2  HIS   3           HD2      HIS   3  16.042   5.891   9.767
   24    HE1  HIS   3           HE1      HIS   3  17.444   1.920  10.048
   25    H    VAL   4           H        VAL   4  13.153   4.893   6.993
   26    HA   VAL   4           HA       VAL   4  10.747   6.351   6.222
   27    HB   VAL   4           HB       VAL   4  12.563   5.862   4.599
   28   1HG1  VAL   4          2HG1      VAL   4  12.457   3.305   5.739
   29   2HG1  VAL   4          1HG1      VAL   4  11.823   3.097   4.108
   30   3HG1  VAL   4          3HG1      VAL   4  13.423   3.794   4.347
   31   1HG2  VAL   4          3HG2      VAL   4   9.730   5.115   4.232
   32   2HG2  VAL   4          2HG2      VAL   4  10.741   6.195   3.272
   33   3HG2  VAL   4          1HG2      VAL   4  10.821   4.451   3.015
   34    H    ALA   5           H        ALA   5   8.705   5.646   6.601
   35    HA   ALA   5           HA       ALA   5   6.959   4.223   7.308
   36   1HB   ALA   5          3HB       ALA   5   7.797   3.411   4.873
   37   2HB   ALA   5          2HB       ALA   5   8.153   1.950   5.794
   38   3HB   ALA   5          1HB       ALA   5   6.510   2.587   5.751
   39    H    PHE   6           H        PHE   6   7.000   1.401   7.620
   40    HA   PHE   6           HA       PHE   6   7.827   1.020  10.285
   41   1HB   PHE   6          1HB       PHE   6   8.304  -1.442   8.816
   42   2HB   PHE   6          2HB       PHE   6   7.065  -1.093  10.008
   43    HD1  PHE   6           HD1      PHE   6   4.862  -0.284   9.335
   44    HD2  PHE   6           HD2      PHE   6   7.842  -1.227   6.384
   45    HE1  PHE   6           HE1      PHE   6   3.128  -0.318   7.568
   46    HE2  PHE   6           HE2      PHE   6   6.106  -1.262   4.645
   47    HZ   PHE   6           HZ       PHE   6   3.762  -0.810   5.234
   48    H    GLY   7           H        GLY   7   9.526  -0.101   7.391
   49   1HA   GLY   7          1HA       GLY   7  12.130   0.790   8.314
   50   2HA   GLY   7          2HA       GLY   7  11.947  -0.968   8.402
   51    H    SER   8           H        SER   8  10.307   1.035   6.052
   52    HA   SER   8           HA       SER   8  10.921  -0.571   3.843
   53   1HB   SER   8          1HB       SER   8  10.564   1.826   2.652
   54   2HB   SER   8          2HB       SER   8   9.239   0.828   3.243
   55    HG   SER   8           HG       SER   8   9.460   3.151   3.942
   56    H    GLU   9           H        GLU   9  12.009   0.682   1.818
   57    HA   GLU   9           HA       GLU   9  14.729   1.594   2.677
   58   1HB   GLU   9          1HB       GLU   9  13.898  -0.521   0.723
   59   2HB   GLU   9          2HB       GLU   9  15.307   0.463   0.325
   60   1HG   GLU   9          1HG       GLU   9  16.203  -0.070   2.642
   61   2HG   GLU   9          2HG       GLU   9  14.899  -1.250   2.790
   62    H    ASP  10           H        ASP  10  13.102   3.609   2.300
   63    HA   ASP  10           HA       ASP  10  12.650   5.489   0.958
   64   1HB   ASP  10          1HB       ASP  10  15.132   4.306  -0.137
   65   2HB   ASP  10          2HB       ASP  10  14.233   5.307  -1.277
   66    H    ILE  11           H        ILE  11  10.618   4.084   0.646
   67    HA   ILE  11           HA       ILE  11  10.324   2.621  -1.822
   68    HB   ILE  11           HB       ILE  11   8.018   3.747  -0.391
   69   1HG1  ILE  11          1HG1      ILE  11   9.455   2.953   1.440
   70   2HG1  ILE  11          2HG1      ILE  11   8.080   1.876   1.223
   71   1HG2  ILE  11          1HG2      ILE  11   8.296   2.036  -2.469
   72   2HG2  ILE  11          3HG2      ILE  11   8.167   0.912  -1.119
   73   3HG2  ILE  11          2HG2      ILE  11   6.884   2.082  -1.413
   74   1HD1  ILE  11          1HD1      ILE  11   9.631   0.565  -0.384
   75   2HD1  ILE  11          3HD1      ILE  11  10.938   1.446   0.406
   76   3HD1  ILE  11          2HD1      ILE  11   9.877   0.403   1.348
   77    H    GLU  12           H        GLU  12   8.637   5.573  -0.746
   78    HA   GLU  12           HA       GLU  12   7.457   6.368  -3.061
   79   1HB   GLU  12          1HB       GLU  12   7.688   8.699  -2.342
   80   2HB   GLU  12          2HB       GLU  12   7.391   7.663  -0.946
   81   1HG   GLU  12          1HG       GLU  12   9.763   7.654  -0.390
   82   2HG   GLU  12          2HG       GLU  12  10.139   8.569  -1.850
   83    H    ASN  13           H        ASN  13  10.948   6.667  -2.455
   84    HA   ASN  13           HA       ASN  13  11.379   8.082  -4.999
   85   1HB   ASN  13          1HB       ASN  13  13.111   7.077  -2.768
   86   2HB   ASN  13          2HB       ASN  13  13.857   7.328  -4.347
   87   1HD2  ASN  13          2HD2      ASN  13  13.130  10.904  -4.305
   88   2HD2  ASN  13          1HD2      ASN  13  13.074   9.587  -5.373
   89    H    THR  14           H        THR  14  11.842   4.832  -3.683
   90    HA   THR  14           HA       THR  14  12.908   3.691  -6.124
   91    HB   THR  14           HB       THR  14  11.755   2.581  -3.555
   92    HG1  THR  14           HG1      THR  14  13.969   1.711  -3.577
   93   1HG2  THR  14          3HG2      THR  14  12.350   1.130  -6.110
   94   2HG2  THR  14          2HG2      THR  14  12.721   0.343  -4.577
   95   3HG2  THR  14          1HG2      THR  14  11.068   0.846  -4.934
   96    H    LEU  15           H        LEU  15   9.817   4.782  -5.325
   97    HA   LEU  15           HA       LEU  15   8.455   2.753  -6.980
   98   1HB   LEU  15          1HB       LEU  15   7.385   5.046  -5.306
   99   2HB   LEU  15          2HB       LEU  15   6.389   3.879  -6.174
  100    HG   LEU  15           HG       LEU  15   8.455   3.010  -4.166
  101   1HD1  LEU  15          3HD1      LEU  15   5.923   4.356  -3.686
  102   2HD1  LEU  15          2HD1      LEU  15   5.960   2.746  -2.970
  103   3HD1  LEU  15          1HD1      LEU  15   7.195   3.930  -2.546
  104   1HD2  LEU  15          2HD2      LEU  15   7.126   1.547  -5.972
  105   2HD2  LEU  15          1HD2      LEU  15   7.502   0.929  -4.362
  106   3HD2  LEU  15          3HD2      LEU  15   5.900   1.586  -4.702
  107    H    ALA  16           H        ALA  16  10.151   5.534  -7.485
  108    HA   ALA  16           HA       ALA  16   8.330   6.648  -9.530
  109   1HB   ALA  16          1HB       ALA  16  10.904   7.551  -8.247
  110   2HB   ALA  16          3HB       ALA  16  10.346   8.288  -9.749
  111   3HB   ALA  16          2HB       ALA  16   9.349   8.379  -8.298
  112    H    LYS  17           H        LYS  17  11.197   4.678  -9.198
  113    HA   LYS  17           HA       LYS  17  11.282   4.467 -12.177
  114   1HB   LYS  17          1HB       LYS  17  13.643   4.687 -10.286
  115   2HB   LYS  17          2HB       LYS  17  13.778   4.216 -11.981
  116   1HG   LYS  17          1HG       LYS  17  12.255   6.482 -12.178
  117   2HG   LYS  17          2HG       LYS  17  13.290   6.878 -10.806
  118   1HD   LYS  17          1HD       LYS  17  14.354   7.579 -12.905
  119   2HD   LYS  17          2HD       LYS  17  15.283   6.282 -12.153
  120   1HE   LYS  17          1HE       LYS  17  14.560   4.685 -13.711
  121   2HE   LYS  17          2HE       LYS  17  13.150   5.638 -14.177
  122   1HZ   LYS  17          1HZ       LYS  17  15.132   7.303 -14.811
  123   2HZ   LYS  17          3HZ       LYS  17  15.893   5.815 -15.098
  124   3HZ   LYS  17          2HZ       LYS  17  14.446   6.197 -15.903
  125    H    MET  18           H        MET  18   9.906   2.727 -10.362
  126    HA   MET  18           HA       MET  18  11.542   0.256 -10.721
  127   1HB   MET  18          1HB       MET  18  11.464   0.853  -8.334
  128   2HB   MET  18          2HB       MET  18   9.702   0.910  -8.399
  129   1HG   MET  18          2HG       MET  18  10.913  -1.582  -9.425
  130   2HG   MET  18          1HG       MET  18  11.122  -1.304  -7.697
  131   1HE   MET  18          1HE       MET  18   9.554  -0.456  -6.281
  132   2HE   MET  18          3HE       MET  18   7.797  -0.655  -6.300
  133   3HE   MET  18          2HE       MET  18   8.838  -2.025  -5.922
  134    H    ASP  19           H        ASP  19  10.364  -1.570 -11.415
  135    HA   ASP  19           HA       ASP  19   7.475  -1.092 -12.029
  136   1HB   ASP  19          1HB       ASP  19   9.423  -1.181 -13.940
  137   2HB   ASP  19          2HB       ASP  19   8.964  -2.882 -13.854
  138    H    ASP  20           H        ASP  20   9.883  -3.752 -12.093
  139    HA   ASP  20           HA       ASP  20   8.475  -5.245 -10.049
  140   1HB   ASP  20          1HB       ASP  20   7.180  -5.464 -12.381
  141   2HB   ASP  20          2HB       ASP  20   8.419  -6.688 -12.662
  142    H    GLY  21           H        GLY  21  10.530  -5.530  -9.130
  143   1HA   GLY  21          1HA       GLY  21  12.095  -7.620  -9.252
  144   2HA   GLY  21          2HA       GLY  21  12.571  -6.920 -10.799
  145    H    GLN  22           H        GLN  22  12.145  -4.160  -9.488
  146    HA   GLN  22           HA       GLN  22  14.913  -3.902  -8.561
  147   1HB   GLN  22          1HB       GLN  22  13.472  -2.212  -9.977
  148   2HB   GLN  22          2HB       GLN  22  12.902  -1.679  -8.394
  149   1HG   GLN  22          1HG       GLN  22  15.663  -1.908  -8.073
  150   2HG   GLN  22          2HG       GLN  22  15.476  -1.209  -9.681
  151   1HE2  GLN  22          2HE2      GLN  22  14.288   0.948  -6.401
  152   2HE2  GLN  22          1HE2      GLN  22  14.586  -0.716  -6.249
  153    H    LEU  23           H        LEU  23  11.663  -3.443  -7.137
  154    HA   LEU  23           HA       LEU  23  12.962  -3.751  -4.463
  155   1HB   LEU  23          1HB       LEU  23  11.873  -1.396  -5.317
  156   2HB   LEU  23          2HB       LEU  23  10.478  -2.151  -4.545
  157    HG   LEU  23           HG       LEU  23  11.941  -2.596  -2.535
  158   1HD1  LEU  23          2HD1      LEU  23  13.940  -1.662  -4.358
  159   2HD1  LEU  23          1HD1      LEU  23  13.860  -0.536  -3.003
  160   3HD1  LEU  23          3HD1      LEU  23  14.157  -2.250  -2.710
  161   1HD2  LEU  23          1HD2      LEU  23  10.653  -0.225  -3.378
  162   2HD2  LEU  23          3HD2      LEU  23  11.022  -0.703  -1.723
  163   3HD2  LEU  23          2HD2      LEU  23  12.166   0.284  -2.630
  164    H    ASP  24           H        ASP  24  11.916  -5.926  -5.850
  165    HA   ASP  24           HA       ASP  24   9.176  -6.369  -4.802
  166   1HB   ASP  24          1HB       ASP  24  10.982  -7.838  -6.715
  167   2HB   ASP  24          2HB       ASP  24   9.602  -8.661  -5.986
  168    H    GLY  25           H        GLY  25  12.280  -6.656  -3.594
  169   1HA   GLY  25          1HA       GLY  25  11.703  -9.168  -2.114
  170   2HA   GLY  25          2HA       GLY  25  13.278  -8.381  -2.214
  171    H    LEU  26           H        LEU  26  10.640  -6.241  -1.612
  172    HA   LEU  26           HA       LEU  26  11.704  -5.460   0.923
  173   1HB   LEU  26          1HB       LEU  26   8.940  -4.925  -0.225
  174   2HB   LEU  26          2HB       LEU  26   9.706  -4.044   1.090
  175    HG   LEU  26           HG       LEU  26  11.254  -4.179  -1.437
  176   1HD1  LEU  26          2HD1      LEU  26   8.761  -3.813  -2.045
  177   2HD1  LEU  26          1HD1      LEU  26   8.924  -2.261  -1.224
  178   3HD1  LEU  26          3HD1      LEU  26   9.917  -2.620  -2.636
  179   1HD2  LEU  26          2HD2      LEU  26  11.506  -2.817   0.895
  180   2HD2  LEU  26          1HD2      LEU  26  12.131  -2.208  -0.638
  181   3HD2  LEU  26          3HD2      LEU  26  10.574  -1.643  -0.035
  182    H    ALA  27           H        ALA  27  10.279  -5.492   2.873
  183    HA   ALA  27           HA       ALA  27   9.104  -8.208   3.237
  184   1HB   ALA  27          3HB       ALA  27  10.074  -6.098   5.185
  185   2HB   ALA  27          2HB       ALA  27   9.128  -7.491   5.710
  186   3HB   ALA  27          1HB       ALA  27  10.705  -7.729   4.956
  187    H    PHE  28           H        PHE  28   7.912  -5.799   1.885
  188    HA   PHE  28           HA       PHE  28   5.257  -5.961   3.083
  189   1HB   PHE  28          1HB       PHE  28   5.148  -3.371   2.999
  190   2HB   PHE  28          2HB       PHE  28   5.991  -4.089   4.356
  191    HD1  PHE  28           HD2      PHE  28   8.526  -4.309   4.261
  192    HD2  PHE  28           HD1      PHE  28   6.279  -1.929   1.487
  193    HE1  PHE  28           HE2      PHE  28  10.587  -3.085   3.653
  194    HE2  PHE  28           HE1      PHE  28   8.347  -0.705   0.875
  195    HZ   PHE  28           HZ       PHE  28  10.502  -1.291   1.957
  196    H    GLY  29           H        GLY  29   4.005  -4.066   1.641
  197   1HA   GLY  29          1HA       GLY  29   4.813  -4.654  -1.174
  198   2HA   GLY  29          2HA       GLY  29   3.130  -4.538  -0.648
  199    H    ALA  30           H        ALA  30   4.431  -2.839  -2.677
  200    HA   ALA  30           HA       ALA  30   4.049  -0.246  -1.237
  201   1HB   ALA  30          2HB       ALA  30   5.983  -0.864  -3.496
  202   2HB   ALA  30          1HB       ALA  30   5.573   0.774  -2.986
  203   3HB   ALA  30          3HB       ALA  30   6.388  -0.320  -1.867
  204    H    ILE  31           H        ILE  31   1.996   0.310  -1.823
  205    HA   ILE  31           HA       ILE  31   1.280  -0.129  -4.689
  206    HB   ILE  31           HB       ILE  31  -0.945  -0.575  -4.078
  207   1HG1  ILE  31          1HG1      ILE  31  -1.601  -0.221  -1.558
  208   2HG1  ILE  31          2HG1      ILE  31  -0.295   0.967  -1.583
  209   1HG2  ILE  31          3HG2      ILE  31   0.594  -2.338  -3.321
  210   2HG2  ILE  31          2HG2      ILE  31   0.714  -1.567  -1.747
  211   3HG2  ILE  31          1HG2      ILE  31  -0.823  -2.243  -2.287
  212   1HD1  ILE  31          1HD1      ILE  31  -1.678   1.511  -3.923
  213   2HD1  ILE  31          3HD1      ILE  31  -2.964   1.107  -2.786
  214   3HD1  ILE  31          2HD1      ILE  31  -1.836   2.409  -2.413
  215    H    GLN  32           H        GLN  32   0.399   1.542  -5.856
  216    HA   GLN  32           HA       GLN  32   0.402   4.204  -4.501
  217   1HB   GLN  32          1HB       GLN  32   1.287   3.290  -7.203
  218   2HB   GLN  32          2HB       GLN  32   0.540   4.882  -7.093
  219   1HG   GLN  32          1HG       GLN  32   2.467   5.724  -6.302
  220   2HG   GLN  32          2HG       GLN  32   2.348   4.648  -4.909
  221   1HE2  GLN  32          2HE2      GLN  32   4.570   3.361  -8.134
  222   2HE2  GLN  32          1HE2      GLN  32   3.252   4.395  -8.405
  223    H    LEU  33           H        LEU  33  -1.273   5.738  -5.523
  224    HA   LEU  33           HA       LEU  33  -3.562   4.349  -6.761
  225   1HB   LEU  33          1HB       LEU  33  -3.728   5.711  -4.052
  226   2HB   LEU  33          2HB       LEU  33  -5.129   5.231  -5.006
  227    HG   LEU  33           HG       LEU  33  -2.966   3.316  -4.082
  228   1HD1  LEU  33          1HD1      LEU  33  -4.474   4.432  -2.295
  229   2HD1  LEU  33          3HD1      LEU  33  -5.774   3.473  -3.003
  230   3HD1  LEU  33          2HD1      LEU  33  -4.368   2.672  -2.302
  231   1HD2  LEU  33          1HD2      LEU  33  -4.882   3.089  -6.107
  232   2HD2  LEU  33          3HD2      LEU  33  -4.019   1.757  -5.337
  233   3HD2  LEU  33          2HD2      LEU  33  -5.601   2.249  -4.733
  234    H    ASP  34           H        ASP  34  -5.124   5.889  -7.641
  235    HA   ASP  34           HA       ASP  34  -4.186   8.724  -7.568
  236   1HB   ASP  34          1HB       ASP  34  -4.602   6.975  -9.903
  237   2HB   ASP  34          2HB       ASP  34  -5.343   8.569 -10.025
  238    H    GLY  35           H        GLY  35  -5.684  10.036  -6.981
  239   1HA   GLY  35          1HA       GLY  35  -7.684  10.853  -6.100
  240   2HA   GLY  35          2HA       GLY  35  -8.181  10.616  -7.766
  241    H    ASP  36           H        ASP  36  -9.115   8.501  -8.266
  242    HA   ASP  36           HA       ASP  36 -11.191   7.842  -6.368
  243   1HB   ASP  36          1HB       ASP  36 -10.396   6.536  -8.983
  244   2HB   ASP  36          2HB       ASP  36 -11.856   6.143  -8.075
  245    H    GLY  37           H        GLY  37  -8.024   6.839  -6.394
  246   1HA   GLY  37          1HA       GLY  37  -7.103   5.247  -4.868
  247   2HA   GLY  37          2HA       GLY  37  -8.704   4.529  -4.694
  248    H    ASN  38           H        ASN  38  -7.678   5.170  -7.933
  249    HA   ASN  38           HA       ASN  38  -7.751   2.333  -8.578
  250   1HB   ASN  38          1HB       ASN  38  -7.014   4.820 -10.134
  251   2HB   ASN  38          2HB       ASN  38  -6.823   3.210 -10.827
  252   1HD2  ASN  38          2HD2      ASN  38 -10.463   4.879 -10.825
  253   2HD2  ASN  38          1HD2      ASN  38  -9.039   5.745 -10.500
  254    H    ILE  39           H        ILE  39  -6.015   0.949  -8.700
  255    HA   ILE  39           HA       ILE  39  -3.578   1.679  -7.390
  256    HB   ILE  39           HB       ILE  39  -4.838  -0.696  -8.186
  257   1HG1  ILE  39          1HG1      ILE  39  -2.620  -1.627  -7.052
  258   2HG1  ILE  39          2HG1      ILE  39  -2.375   0.082  -6.694
  259   1HG2  ILE  39          1HG2      ILE  39  -3.364  -0.430 -10.320
  260   2HG2  ILE  39          3HG2      ILE  39  -2.029  -0.866  -9.254
  261   3HG2  ILE  39          2HG2      ILE  39  -3.372  -1.982  -9.485
  262   1HD1  ILE  39          3HD1      ILE  39  -4.889  -0.016  -5.923
  263   2HD1  ILE  39          2HD1      ILE  39  -4.576  -1.746  -5.783
  264   3HD1  ILE  39          1HD1      ILE  39  -3.620  -0.598  -4.844
  265    H    LEU  40           H        LEU  40  -1.626   2.283  -8.109
  266    HA   LEU  40           HA       LEU  40  -1.346   2.856 -11.031
  267   1HB   LEU  40          1HB       LEU  40   0.481   4.041  -8.960
  268   2HB   LEU  40          2HB       LEU  40  -0.025   4.710 -10.511
  269    HG   LEU  40           HG       LEU  40  -1.840   4.395  -8.098
  270   1HD1  LEU  40          2HD1      LEU  40   0.106   6.428  -8.827
  271   2HD1  LEU  40          1HD1      LEU  40  -1.522   7.099  -8.741
  272   3HD1  LEU  40          3HD1      LEU  40  -0.837   6.266  -7.346
  273   1HD2  LEU  40          2HD2      LEU  40  -2.473   4.624 -10.786
  274   2HD2  LEU  40          1HD2      LEU  40  -3.535   5.047  -9.444
  275   3HD2  LEU  40          3HD2      LEU  40  -2.550   6.290 -10.211
  276    H    GLN  41           H        GLN  41  -0.004   1.268  -8.227
  277    HA   GLN  41           HA       GLN  41   1.656  -0.457  -9.882
  278   1HB   GLN  41          1HB       GLN  41   3.330   1.152  -9.917
  279   2HB   GLN  41          2HB       GLN  41   2.837   1.859  -8.388
  280   1HG   GLN  41          1HG       GLN  41   3.997  -0.911  -8.418
  281   2HG   GLN  41          2HG       GLN  41   5.070   0.473  -8.549
  282   1HE2  GLN  41          2HE2      GLN  41   2.925   1.057  -5.184
  283   2HE2  GLN  41          1HE2      GLN  41   2.226   1.227  -6.706
  284    H    TYR  42           H        TYR  42   2.655  -2.202  -8.470
  285    HA   TYR  42           HA       TYR  42   1.520  -2.309  -5.723
  286   1HB   TYR  42          1HB       TYR  42   0.022  -3.399  -7.537
  287   2HB   TYR  42          2HB       TYR  42   1.239  -4.662  -7.600
  288    HD1  TYR  42           HD1      TYR  42  -0.670  -2.712  -5.025
  289    HD2  TYR  42           HD2      TYR  42   0.904  -6.523  -6.229
  290    HE1  TYR  42           HE1      TYR  42  -1.710  -3.771  -3.038
  291    HE2  TYR  42           HE2      TYR  42  -0.145  -7.582  -4.246
  292    HH   TYR  42           HH       TYR  42  -1.088  -7.126  -2.191
  293    H    ASN  43           H        ASN  43   3.091  -4.697  -7.849
  294    HA   ASN  43           HA       ASN  43   5.417  -5.361  -7.765
  295   1HB   ASN  43          1HB       ASN  43   6.830  -5.084  -5.939
  296   2HB   ASN  43          2HB       ASN  43   5.802  -3.666  -5.801
  297   1HD2  ASN  43          2HD2      ASN  43   6.025  -5.433  -2.469
  298   2HD2  ASN  43          1HD2      ASN  43   7.191  -4.824  -3.543
  299    H    ALA  44           H        ALA  44   6.356  -7.269  -6.081
  300    HA   ALA  44           HA       ALA  44   4.220  -9.300  -6.363
  301   1HB   ALA  44          3HB       ALA  44   6.654  -9.456  -7.279
  302   2HB   ALA  44          2HB       ALA  44   7.062  -9.922  -5.628
  303   3HB   ALA  44          1HB       ALA  44   5.917 -10.888  -6.559
  304    H    ALA  45           H        ALA  45   6.650  -8.483  -3.838
  305    HA   ALA  45           HA       ALA  45   6.160 -10.238  -1.847
  306   1HB   ALA  45          2HB       ALA  45   6.682  -7.330  -1.810
  307   2HB   ALA  45          1HB       ALA  45   6.077  -8.012  -0.300
  308   3HB   ALA  45          3HB       ALA  45   7.556  -8.644  -1.023
  309    H    GLU  46           H        GLU  46   4.110  -7.322  -1.949
  310    HA   GLU  46           HA       GLU  46   2.268  -8.267  -0.002
  311   1HB   GLU  46          1HB       GLU  46   0.620  -6.673  -1.371
  312   2HB   GLU  46          2HB       GLU  46   1.886  -6.039  -0.346
  313   1HG   GLU  46          1HG       GLU  46   3.337  -5.672  -2.219
  314   2HG   GLU  46          2HG       GLU  46   2.235  -6.513  -3.302
  315    HE2  GLU  46           HE1      GLU  46   2.349  -3.082  -3.562
  316    H    GLY  47           H        GLY  47   2.022  -8.352  -3.523
  317   1HA   GLY  47          1HA       GLY  47  -0.494  -9.715  -3.587
  318   2HA   GLY  47          2HA       GLY  47   0.683  -9.717  -4.908
  319    H    ASP  48           H        ASP  48   2.599 -10.854  -2.627
  320    HA   ASP  48           HA       ASP  48   2.132 -13.637  -3.398
  321   1HB   ASP  48          1HB       ASP  48   4.417 -12.460  -3.066
  322   2HB   ASP  48          2HB       ASP  48   4.134 -12.704  -1.343
  323    H    ILE  49           H        ILE  49   1.786 -11.660  -0.468
  324    HA   ILE  49           HA       ILE  49   1.034 -13.983   1.126
  325    HB   ILE  49           HB       ILE  49   1.743 -11.212   1.566
  326   1HG1  ILE  49          1HG1      ILE  49   2.480 -12.221   3.764
  327   2HG1  ILE  49          2HG1      ILE  49   1.829 -13.754   3.182
  328   1HG2  ILE  49          1HG2      ILE  49  -0.599 -12.350   3.052
  329   2HG2  ILE  49          3HG2      ILE  49   0.495 -11.211   3.835
  330   3HG2  ILE  49          2HG2      ILE  49  -0.395 -10.728   2.390
  331   1HD1  ILE  49          1HD1      ILE  49   3.727 -12.211   1.442
  332   2HD1  ILE  49          3HD1      ILE  49   4.365 -13.178   2.772
  333   3HD1  ILE  49          2HD1      ILE  49   3.425 -13.947   1.494
  334    H    THR  50           H        THR  50  -0.598 -11.092  -0.155
  335    HA   THR  50           HA       THR  50  -3.221 -12.167   0.657
  336    HB   THR  50           HB       THR  50  -4.105 -10.048   0.188
  337    HG1  THR  50           HG1      THR  50  -1.874  -9.528  -1.470
  338   1HG2  THR  50          1HG2      THR  50  -2.178 -10.001   1.885
  339   2HG2  THR  50          3HG2      THR  50  -1.216  -9.277   0.596
  340   3HG2  THR  50          2HG2      THR  50  -2.659  -8.455   1.187
  341    H    GLY  51           H        GLY  51  -1.259 -11.965  -2.229
  342   1HA   GLY  51          1HA       GLY  51  -1.670 -13.379  -4.140
  343   2HA   GLY  51          2HA       GLY  51  -3.363 -13.449  -3.671
  344    H    ARG  52           H        ARG  52  -2.623 -10.288  -3.295
  345    HA   ARG  52           HA       ARG  52  -4.145  -9.354  -5.471
  346   1HB   ARG  52          1HB       ARG  52  -2.342  -8.157  -3.476
  347   2HB   ARG  52          2HB       ARG  52  -2.457  -7.256  -4.983
  348   1HG   ARG  52          1HG       ARG  52  -5.088  -7.935  -4.462
  349   2HG   ARG  52          2HG       ARG  52  -4.443  -7.568  -2.864
  350   1HD   ARG  52          1HD       ARG  52  -3.411  -5.613  -4.658
  351   2HD   ARG  52          2HD       ARG  52  -5.132  -5.735  -4.971
  352    HE   ARG  52           HE       ARG  52  -5.236  -5.446  -2.306
  353   1HH1  ARG  52          1HH2      ARG  52  -4.231  -3.496  -4.833
  354   2HH1  ARG  52          2HH2      ARG  52  -3.500  -2.277  -3.843
  355   1HH2  ARG  52          2HH1      ARG  52  -3.788  -4.101  -0.915
  356   2HH2  ARG  52          1HH1      ARG  52  -3.247  -2.621  -1.627
  357    H    ASP  53           H        ASP  53  -3.594  -9.922  -7.523
  358    HA   ASP  53           HA       ASP  53  -0.837 -10.106  -8.430
  359   1HB   ASP  53          1HB       ASP  53  -3.529 -10.521  -9.558
  360   2HB   ASP  53          2HB       ASP  53  -2.371  -9.863 -10.716
  361    HA   PRO  54           HA       PRO  54  -0.333  -5.838  -9.409
  362   1HB   PRO  54          1HB       PRO  54   1.556  -6.018 -11.395
  363   2HB   PRO  54          2HB       PRO  54   1.912  -6.254  -9.676
  364   1HG   PRO  54          1HG       PRO  54   1.699  -8.291 -11.843
  365   2HG   PRO  54          2HG       PRO  54   2.617  -8.354 -10.331
  366   1HD   PRO  54          1HD       PRO  54   0.140  -9.638 -10.824
  367   2HD   PRO  54          2HD       PRO  54   0.912  -9.425  -9.238
  368    H    LYS  55           H        LYS  55  -0.357  -7.801 -12.415
  369    HA   LYS  55           HA       LYS  55  -1.478  -5.686 -14.010
  370   1HB   LYS  55          1HB       LYS  55  -1.798  -7.439 -15.717
  371   2HB   LYS  55          2HB       LYS  55  -0.190  -7.551 -14.999
  372   1HG   LYS  55          1HG       LYS  55  -0.607  -9.614 -14.185
  373   2HG   LYS  55          2HG       LYS  55  -2.143  -9.096 -13.488
  374   1HD   LYS  55          1HD       LYS  55  -2.986  -9.146 -15.969
  375   2HD   LYS  55          2HD       LYS  55  -1.587 -10.188 -16.236
  376   1HE   LYS  55          1HE       LYS  55  -3.764 -10.660 -14.176
  377   2HE   LYS  55          2HE       LYS  55  -3.593 -11.524 -15.704
  378   1HZ   LYS  55          1HZ       LYS  55  -1.509 -11.446 -13.593
  379   2HZ   LYS  55          3HZ       LYS  55  -2.631 -12.703 -13.773
  380   3HZ   LYS  55          2HZ       LYS  55  -1.501 -12.394 -15.003
  381    H    GLN  56           H        GLN  56  -2.858  -8.018 -11.850
  382    HA   GLN  56           HA       GLN  56  -5.528  -7.836 -13.060
  383   1HB   GLN  56          1HB       GLN  56  -4.792  -9.930 -11.957
  384   2HB   GLN  56          2HB       GLN  56  -4.654  -9.065 -10.426
  385   1HG   GLN  56          1HG       GLN  56  -6.879  -9.175 -10.057
  386   2HG   GLN  56          2HG       GLN  56  -7.248  -8.632 -11.694
  387   1HE2  GLN  56          2HE2      GLN  56  -6.960 -12.669 -10.960
  388   2HE2  GLN  56          1HE2      GLN  56  -6.216 -11.578  -9.895
  389    H    VAL  57           H        VAL  57  -3.883  -6.610 -10.152
  390    HA   VAL  57           HA       VAL  57  -6.258  -5.209  -9.221
  391    HB   VAL  57           HB       VAL  57  -4.756  -4.206  -7.562
  392   1HG1  VAL  57          1HG1      VAL  57  -4.527  -7.144  -8.166
  393   2HG1  VAL  57          3HG1      VAL  57  -3.700  -6.454  -6.770
  394   3HG1  VAL  57          2HG1      VAL  57  -5.456  -6.342  -6.899
  395   1HG2  VAL  57          1HG2      VAL  57  -2.684  -5.225  -9.483
  396   2HG2  VAL  57          3HG2      VAL  57  -2.738  -3.692  -8.611
  397   3HG2  VAL  57          2HG2      VAL  57  -2.286  -5.173  -7.766
  398    H    ILE  58           H        ILE  58  -4.246  -4.639 -11.814
  399    HA   ILE  58           HA       ILE  58  -3.921  -1.789 -11.553
  400    HB   ILE  58           HB       ILE  58  -3.335  -3.870 -13.541
  401   1HG1  ILE  58          1HG1      ILE  58  -2.135  -1.129 -13.097
  402   2HG1  ILE  58          2HG1      ILE  58  -1.770  -2.526 -12.083
  403   1HG2  ILE  58          2HG2      ILE  58  -4.189  -1.122 -14.517
  404   2HG2  ILE  58          1HG2      ILE  58  -3.192  -2.229 -15.460
  405   3HG2  ILE  58          3HG2      ILE  58  -4.841  -2.680 -15.025
  406   1HD1  ILE  58          3HD1      ILE  58  -1.454  -3.503 -14.669
  407   2HD1  ILE  58          2HD1      ILE  58  -0.791  -1.872 -14.761
  408   3HD1  ILE  58          1HD1      ILE  58  -0.149  -3.019 -13.585
  409    H    GLY  59           H        GLY  59  -5.470  -0.314 -11.703
  410   1HA   GLY  59          1HA       GLY  59  -7.375   0.774 -12.669
  411   2HA   GLY  59          2HA       GLY  59  -7.753  -0.715 -13.536
  412    H    LYS  60           H        LYS  60  -7.223  -2.028 -10.702
  413    HA   LYS  60           HA       LYS  60 -10.049  -2.071  -9.963
  414   1HB   LYS  60          1HB       LYS  60  -7.702  -3.297  -8.480
  415   2HB   LYS  60          2HB       LYS  60  -9.401  -3.750  -8.343
  416   1HG   LYS  60          1HG       LYS  60  -7.691  -4.027 -10.834
  417   2HG   LYS  60          2HG       LYS  60  -8.192  -5.346  -9.776
  418   1HD   LYS  60          1HD       LYS  60 -10.579  -4.752 -10.253
  419   2HD   LYS  60          2HD       LYS  60 -10.009  -3.557 -11.416
  420   1HE   LYS  60          1HE       LYS  60 -10.109  -5.249 -12.920
  421   2HE   LYS  60          2HE       LYS  60  -8.614  -5.804 -12.173
  422   1HZ   LYS  60          3HZ       LYS  60 -11.350  -6.612 -11.355
  423   2HZ   LYS  60          2HZ       LYS  60 -10.274  -7.560 -12.266
  424   3HZ   LYS  60          1HZ       LYS  60  -9.903  -7.159 -10.656
  425    H    ASN  61           H        ASN  61 -10.975  -1.019  -8.228
  426    HA   ASN  61           HA       ASN  61  -9.444   1.133  -6.972
  427   1HB   ASN  61          1HB       ASN  61 -12.224   0.443  -7.331
  428   2HB   ASN  61          2HB       ASN  61 -11.915   0.760  -5.622
  429   1HD2  ASN  61          2HD2      ASN  61 -11.040   3.810  -8.256
  430   2HD2  ASN  61          1HD2      ASN  61 -10.761   2.206  -8.735
  431    H    PHE  62           H        PHE  62  -7.865   0.170  -5.670
  432    HA   PHE  62           HA       PHE  62  -8.169  -2.119  -4.036
  433   1HB   PHE  62          1HB       PHE  62  -5.961  -1.363  -4.281
  434   2HB   PHE  62          2HB       PHE  62  -6.387   0.303  -3.899
  435    HD1  PHE  62           HD1      PHE  62  -6.394  -3.111  -2.343
  436    HD2  PHE  62           HD2      PHE  62  -5.967   1.118  -1.742
  437    HE1  PHE  62           HE1      PHE  62  -5.797  -3.509   0.031
  438    HE2  PHE  62           HE2      PHE  62  -5.330   0.721   0.620
  439    HZ   PHE  62           HZ       PHE  62  -5.269  -1.596   1.511
  440    H    PHE  63           H        PHE  63  -9.313   1.113  -3.557
  441    HA   PHE  63           HA       PHE  63  -9.690   0.746  -0.691
  442   1HB   PHE  63          1HB       PHE  63 -10.252   2.922  -2.658
  443   2HB   PHE  63          2HB       PHE  63 -11.143   2.933  -1.134
  444    HD1  PHE  63           HD2      PHE  63  -9.616   2.356   1.003
  445    HD2  PHE  63           HD1      PHE  63  -8.194   4.019  -2.692
  446    HE1  PHE  63           HE2      PHE  63  -7.621   3.251   2.170
  447    HE2  PHE  63           HE1      PHE  63  -6.200   4.910  -1.520
  448    HZ   PHE  63           HZ       PHE  63  -5.915   4.527   0.913
  449    H    LYS  64           H        LYS  64 -11.700   0.440  -3.578
  450    HA   LYS  64           HA       LYS  64 -13.767  -0.863  -1.902
  451   1HB   LYS  64          1HB       LYS  64 -15.577   0.436  -2.993
  452   2HB   LYS  64          2HB       LYS  64 -14.511   1.478  -2.049
  453   1HG   LYS  64          1HG       LYS  64 -13.674   2.524  -3.901
  454   2HG   LYS  64          2HG       LYS  64 -13.733   1.058  -4.881
  455   1HD   LYS  64          1HD       LYS  64 -15.390   2.503  -5.803
  456   2HD   LYS  64          2HD       LYS  64 -16.279   1.313  -4.851
  457   1HE   LYS  64          1HE       LYS  64 -15.505   3.514  -3.159
  458   2HE   LYS  64          2HE       LYS  64 -16.351   4.131  -4.578
  459   1HZ   LYS  64          3HZ       LYS  64 -18.113   2.491  -4.144
  460   2HZ   LYS  64          2HZ       LYS  64 -17.316   2.026  -2.718
  461   3HZ   LYS  64          1HZ       LYS  64 -17.933   3.602  -2.875
  462    H    ASP  65           H        ASP  65 -12.020  -2.164  -3.543
  463    HA   ASP  65           HA       ASP  65 -13.817  -3.402  -5.472
  464   1HB   ASP  65          1HB       ASP  65 -12.679  -1.256  -6.536
  465   2HB   ASP  65          2HB       ASP  65 -11.309  -2.351  -6.720
  466    H    VAL  66           H        VAL  66 -10.511  -3.092  -4.182
  467    HA   VAL  66           HA       VAL  66 -10.012  -5.950  -4.874
  468    HB   VAL  66           HB       VAL  66  -8.101  -4.009  -3.579
  469   1HG1  VAL  66          2HG1      VAL  66  -8.035  -6.747  -4.217
  470   2HG1  VAL  66          1HG1      VAL  66  -6.981  -5.946  -5.382
  471   3HG1  VAL  66          3HG1      VAL  66  -6.705  -5.741  -3.653
  472   1HG2  VAL  66          3HG2      VAL  66  -9.013  -3.143  -5.792
  473   2HG2  VAL  66          2HG2      VAL  66  -7.263  -3.333  -5.690
  474   3HG2  VAL  66          1HG2      VAL  66  -8.232  -4.535  -6.544
  475    H    ALA  67           H        ALA  67  -9.490  -3.645  -2.298
  476    HA   ALA  67           HA       ALA  67  -9.645  -5.800  -0.278
  477   1HB   ALA  67          1HB       ALA  67  -8.546  -2.986  -0.323
  478   2HB   ALA  67          3HB       ALA  67  -8.652  -3.942   1.155
  479   3HB   ALA  67          2HB       ALA  67  -7.642  -4.493  -0.184
  480    HA   PRO  68           HA       PRO  68 -13.703  -3.816   0.317
  481   1HB   PRO  68          1HB       PRO  68 -14.864  -6.004   1.507
  482   2HB   PRO  68          2HB       PRO  68 -14.769  -5.779  -0.248
  483   1HG   PRO  68          1HG       PRO  68 -13.173  -7.597   1.502
  484   2HG   PRO  68          2HG       PRO  68 -13.604  -7.777  -0.206
  485   1HD   PRO  68          1HD       PRO  68 -11.092  -6.936   0.768
  486   2HD   PRO  68          2HD       PRO  68 -11.673  -6.755  -0.900
  487    H    CYS  69           H        CYS  69 -11.225  -4.621   2.368
  488    HA   CYS  69           HA       CYS  69 -12.786  -4.037   4.823
  489   1HB   CYS  69          1HB       CYS  69 -11.054  -5.124   6.038
  490   2HB   CYS  69          2HB       CYS  69 -11.294  -6.123   4.608
  491    H    THR  70           H        THR  70 -10.397  -2.755   2.648
  492    HA   THR  70           HA       THR  70  -9.346  -0.812   4.563
  493    HB   THR  70           HB       THR  70  -8.293   0.138   2.399
  494    HG1  THR  70           HG1      THR  70  -9.736  -0.832   0.954
  495   1HG2  THR  70          1HG2      THR  70  -7.612  -1.962   4.103
  496   2HG2  THR  70          3HG2      THR  70  -7.368  -2.623   2.486
  497   3HG2  THR  70          2HG2      THR  70  -6.534  -1.148   2.969
  498    H    ASP  71           H        ASP  71 -12.291  -0.999   3.114
  499    HA   ASP  71           HA       ASP  71 -12.471   1.899   2.490
  500   1HB   ASP  71          1HB       ASP  71 -13.556  -0.105   1.129
  501   2HB   ASP  71          2HB       ASP  71 -14.822   0.041   2.349
  502    H    SER  72           H        SER  72 -11.941   1.762   5.062
  503    HA   SER  72           HA       SER  72 -14.565   2.286   6.372
  504   1HB   SER  72          1HB       SER  72 -12.873   0.056   6.922
  505   2HB   SER  72          2HB       SER  72 -12.768   1.153   8.296
  506    HG   SER  72           HG       SER  72 -14.805  -0.444   7.504
  507    HA   PRO  73           HA       PRO  73 -12.501   5.720   8.220
  508   1HB   PRO  73          1HB       PRO  73 -13.345   5.671  10.837
  509   2HB   PRO  73          2HB       PRO  73 -14.379   6.154   9.483
  510   1HG   PRO  73          1HG       PRO  73 -14.406   3.621  11.053
  511   2HG   PRO  73          2HG       PRO  73 -15.724   4.408  10.171
  512   1HD   PRO  73          1HD       PRO  73 -14.237   2.175   9.280
  513   2HD   PRO  73          2HD       PRO  73 -15.316   3.173   8.283
  514    H    GLU  74           H        GLU  74 -10.404   4.512   7.968
  515    HA   GLU  74           HA       GLU  74  -8.691   4.750  10.193
  516   1HB   GLU  74          1HB       GLU  74 -10.256   2.538  10.582
  517   2HB   GLU  74          2HB       GLU  74  -8.903   1.840   9.694
  518   1HG   GLU  74          1HG       GLU  74  -7.376   3.068  11.336
  519   2HG   GLU  74          2HG       GLU  74  -8.820   3.361  12.306
  520    H    PHE  75           H        PHE  75  -9.513   2.907   7.331
  521    HA   PHE  75           HA       PHE  75  -6.683   3.020   6.412
  522   1HB   PHE  75          1HB       PHE  75  -8.405   0.899   6.414
  523   2HB   PHE  75          2HB       PHE  75  -8.721   1.567   4.812
  524    HD1  PHE  75           HD1      PHE  75  -6.789   1.973   3.257
  525    HD2  PHE  75           HD2      PHE  75  -6.392  -0.298   6.868
  526    HE1  PHE  75           HE1      PHE  75  -4.685   1.008   2.406
  527    HE2  PHE  75           HE2      PHE  75  -4.272  -1.272   6.021
  528    HZ   PHE  75           HZ       PHE  75  -3.414  -0.613   3.786
  529    H    TYR  76           H        TYR  76  -9.905   3.162   4.838
  530    HA   TYR  76           HA       TYR  76  -8.915   5.099   2.889
  531   1HB   TYR  76          1HB       TYR  76 -10.779   3.425   2.440
  532   2HB   TYR  76          2HB       TYR  76 -11.810   4.412   3.478
  533    HD1  TYR  76           HD1      TYR  76  -9.200   5.321   0.932
  534    HD2  TYR  76           HD2      TYR  76 -13.312   5.603   2.137
  535    HE1  TYR  76           HE1      TYR  76  -9.642   6.851  -0.971
  536    HE2  TYR  76           HE2      TYR  76 -13.760   7.138   0.241
  537    HH   TYR  76           HH       TYR  76 -12.769   7.636  -1.996
  538    H    GLY  77           H        GLY  77 -10.261   5.200   6.069
  539   1HA   GLY  77          1HA       GLY  77 -11.476   7.782   6.052
  540   2HA   GLY  77          2HA       GLY  77 -10.810   6.987   7.469
  541    H    LYS  78           H        LYS  78  -8.260   6.883   7.318
  542    HA   LYS  78           HA       LYS  78  -7.339   9.584   7.490
  543   1HB   LYS  78          1HB       LYS  78  -5.513   7.225   7.047
  544   2HB   LYS  78          2HB       LYS  78  -5.215   8.679   7.999
  545   1HG   LYS  78          1HG       LYS  78  -6.890   6.277   8.682
  546   2HG   LYS  78          2HG       LYS  78  -5.709   7.124   9.675
  547   1HD   LYS  78          1HD       LYS  78  -7.514   9.115   9.335
  548   2HD   LYS  78          2HD       LYS  78  -8.591   7.723   9.225
  549   1HE   LYS  78          1HE       LYS  78  -8.536   7.507  11.467
  550   2HE   LYS  78          2HE       LYS  78  -6.789   7.266  11.401
  551   1HZ   LYS  78          2HZ       LYS  78  -7.974   9.968  11.247
  552   2HZ   LYS  78          1HZ       LYS  78  -7.668   9.228  12.745
  553   3HZ   LYS  78          3HZ       LYS  78  -6.389   9.527  11.672
  554    H    PHE  79           H        PHE  79  -7.728   7.505   4.809
  555    HA   PHE  79           HA       PHE  79  -5.794   8.799   3.101
  556   1HB   PHE  79          1HB       PHE  79  -6.491   6.524   2.642
  557   2HB   PHE  79          2HB       PHE  79  -8.177   7.023   2.580
  558    HD1  PHE  79           HD1      PHE  79  -8.873   8.704   0.763
  559    HD2  PHE  79           HD2      PHE  79  -5.148   6.550   0.668
  560    HE1  PHE  79           HE1      PHE  79  -8.691   9.099  -1.683
  561    HE2  PHE  79           HE2      PHE  79  -5.005   6.928  -1.755
  562    HZ   PHE  79           HZ       PHE  79  -6.752   8.201  -2.929
  563    H    LYS  80           H        LYS  80  -9.247   9.117   3.754
  564    HA   LYS  80           HA       LYS  80  -9.613  11.152   1.751
  565   1HB   LYS  80          1HB       LYS  80 -11.272   9.697   3.673
  566   2HB   LYS  80          2HB       LYS  80 -11.726  11.392   3.501
  567   1HG   LYS  80          1HG       LYS  80 -11.172  10.265   0.902
  568   2HG   LYS  80          2HG       LYS  80 -12.364   9.273   1.743
  569   1HD   LYS  80          1HD       LYS  80 -13.953  10.897   1.669
  570   2HD   LYS  80          2HD       LYS  80 -12.791  12.181   2.003
  571   1HE   LYS  80          1HE       LYS  80 -12.889  10.771  -0.667
  572   2HE   LYS  80          2HE       LYS  80 -13.871  12.194  -0.327
  573   1HZ   LYS  80          2HZ       LYS  80 -11.175  12.594   0.484
  574   2HZ   LYS  80          1HZ       LYS  80 -11.249  12.158  -1.155
  575   3HZ   LYS  80          3HZ       LYS  80 -12.118  13.502  -0.597
  576    H    GLU  81           H        GLU  81  -8.122  11.055   4.730
  577    HA   GLU  81           HA       GLU  81  -8.888  13.831   5.482
  578   1HB   GLU  81          1HB       GLU  81  -6.976  11.942   6.889
  579   2HB   GLU  81          2HB       GLU  81  -7.693  13.414   7.548
  580   1HG   GLU  81          1HG       GLU  81  -9.688  11.522   6.525
  581   2HG   GLU  81          2HG       GLU  81  -8.726  10.864   7.848
  582    H    GLY  82           H        GLY  82  -6.127  11.869   4.544
  583   1HA   GLY  82          1HA       GLY  82  -4.218  14.051   4.515
  584   2HA   GLY  82          2HA       GLY  82  -3.992  12.478   3.742
  585    H    VAL  83           H        VAL  83  -6.278  12.464   2.120
  586    HA   VAL  83           HA       VAL  83  -5.370  13.872  -0.194
  587    HB   VAL  83           HB       VAL  83  -8.146  12.816   0.439
  588   1HG1  VAL  83          1HG1      VAL  83  -7.115  14.308  -1.800
  589   2HG1  VAL  83          3HG1      VAL  83  -7.545  12.681  -2.325
  590   3HG1  VAL  83          2HG1      VAL  83  -8.750  13.700  -1.538
  591   1HG2  VAL  83          1HG2      VAL  83  -5.808  11.384   0.246
  592   2HG2  VAL  83          3HG2      VAL  83  -7.410  10.742  -0.119
  593   3HG2  VAL  83          2HG2      VAL  83  -6.392  11.354  -1.418
  594    H    ALA  84           H        ALA  84  -7.873  14.683   2.204
  595    HA   ALA  84           HA       ALA  84  -8.651  17.116   0.789
  596   1HB   ALA  84          2HB       ALA  84  -9.316  16.083   3.557
  597   2HB   ALA  84          1HB       ALA  84 -10.034  17.522   2.833
  598   3HB   ALA  84          3HB       ALA  84 -10.312  15.938   2.110
  599    H    SER  85           H        SER  85  -6.274  16.317   3.211
  600    HA   SER  85           HA       SER  85  -6.005  19.163   3.992
  601   1HB   SER  85          1HB       SER  85  -5.263  16.585   5.156
  602   2HB   SER  85          2HB       SER  85  -3.956  17.764   5.232
  603    HG   SER  85           HG       SER  85  -6.623  18.041   6.164
  604    H    GLY  86           H        GLY  86  -4.689  17.021   1.683
  605   1HA   GLY  86          1HA       GLY  86  -3.055  17.513   0.043
  606   2HA   GLY  86          2HA       GLY  86  -2.727  19.037   0.879
  607    H    ASN  87           H        ASN  87  -2.730  16.302   2.939
  608    HA   ASN  87           HA       ASN  87   0.148  15.755   2.608
  609   1HB   ASN  87          1HB       ASN  87  -1.058  17.142   5.005
  610   2HB   ASN  87          2HB       ASN  87   0.398  16.159   5.164
  611   1HD2  ASN  87          2HD2      ASN  87   2.400  18.410   3.161
  612   2HD2  ASN  87          1HD2      ASN  87   2.204  16.760   3.508
  613    H    LEU  88           H        LEU  88  -0.246  13.567   2.318
  614    HA   LEU  88           HA       LEU  88  -2.024  12.188   4.252
  615   1HB   LEU  88          1HB       LEU  88  -1.809  11.901   1.561
  616   2HB   LEU  88          2HB       LEU  88  -0.707  10.637   2.104
  617    HG   LEU  88           HG       LEU  88  -3.132  10.666   3.696
  618   1HD1  LEU  88          1HD1      LEU  88  -3.654  11.423   1.116
  619   2HD1  LEU  88          3HD1      LEU  88  -3.767   9.667   0.993
  620   3HD1  LEU  88          2HD1      LEU  88  -4.786  10.537   2.140
  621   1HD2  LEU  88          1HD2      LEU  88  -1.683   8.670   1.939
  622   2HD2  LEU  88          3HD2      LEU  88  -1.688   8.754   3.702
  623   3HD2  LEU  88          2HD2      LEU  88  -3.143   8.258   2.838
  624    H    ASN  89           H        ASN  89  -1.092  11.344   6.020
  625    HA   ASN  89           HA       ASN  89   1.319   9.714   5.807
  626   1HB   ASN  89          1HB       ASN  89   2.313  11.191   7.803
  627   2HB   ASN  89          2HB       ASN  89   2.674  11.559   6.120
  628   1HD2  ASN  89          2HD2      ASN  89  -0.319  13.889   7.716
  629   2HD2  ASN  89          1HD2      ASN  89  -0.376  12.207   7.931
  630    H    THR  90           H        THR  90  -0.532   8.311   6.564
  631    HA   THR  90           HA       THR  90  -0.975   8.638   9.504
  632    HB   THR  90           HB       THR  90  -3.039   8.810   8.136
  633    HG1  THR  90           HG1      THR  90  -3.353   7.955  10.127
  634   1HG2  THR  90          1HG2      THR  90  -1.880   6.925   6.536
  635   2HG2  THR  90          3HG2      THR  90  -3.013   5.937   7.456
  636   3HG2  THR  90          2HG2      THR  90  -3.601   7.311   6.521
  637    H    MET  91           H        MET  91  -0.261   7.035  10.803
  638    HA   MET  91           HA       MET  91   0.579   4.452   9.534
  639   1HB   MET  91          1HB       MET  91   2.420   5.988  10.481
  640   2HB   MET  91          2HB       MET  91   1.749   5.619  12.071
  641   1HG   MET  91          2HG       MET  91   2.062   3.205  11.638
  642   2HG   MET  91          1HG       MET  91   2.755   3.583  10.060
  643   1HE   MET  91          1HE       MET  91   3.635   1.926  12.396
  644   2HE   MET  91          3HE       MET  91   5.244   2.334  13.007
  645   3HE   MET  91          2HE       MET  91   3.807   2.922  13.839
  646    H    PHE  92           H        PHE  92  -0.558   2.718  10.297
  647    HA   PHE  92           HA       PHE  92  -1.537   2.739  13.077
  648   1HB   PHE  92          1HB       PHE  92  -3.874   2.247  12.372
  649   2HB   PHE  92          2HB       PHE  92  -3.356   3.867  11.914
  650    HD1  PHE  92           HD2      PHE  92  -2.117   3.919   9.476
  651    HD2  PHE  92           HD1      PHE  92  -5.018   1.014  10.753
  652    HE1  PHE  92           HE2      PHE  92  -2.670   3.436   7.122
  653    HE2  PHE  92           HE1      PHE  92  -5.581   0.549   8.390
  654    HZ   PHE  92           HZ       PHE  92  -4.405   1.755   6.567
  655    H    GLU  93           H        GLU  93  -3.119   0.604  13.119
  656    HA   GLU  93           HA       GLU  93  -1.514  -1.564  11.826
  657   1HB   GLU  93          1HB       GLU  93  -1.931  -2.943  13.824
  658   2HB   GLU  93          2HB       GLU  93  -1.122  -1.447  14.284
  659   1HG   GLU  93          1HG       GLU  93  -3.450  -0.488  14.733
  660   2HG   GLU  93          2HG       GLU  93  -4.049  -2.140  14.591
  661    H    TYR  94           H        TYR  94  -2.759  -2.583  10.359
  662    HA   TYR  94           HA       TYR  94  -5.668  -2.868  10.975
  663   1HB   TYR  94          1HB       TYR  94  -4.925  -1.173   9.128
  664   2HB   TYR  94          2HB       TYR  94  -4.642  -2.623   8.157
  665    HD1  TYR  94           HD1      TYR  94  -7.180  -0.609   9.927
  666    HD2  TYR  94           HD2      TYR  94  -6.480  -4.029   7.427
  667    HE1  TYR  94           HE1      TYR  94  -9.609  -0.764   9.466
  668    HE2  TYR  94           HE2      TYR  94  -8.906  -4.186   6.966
  669    HH   TYR  94           HH       TYR  94 -11.239  -2.053   8.580
  670    H    THR  95           H        THR  95  -6.652  -4.751   9.795
  671    HA   THR  95           HA       THR  95  -4.645  -6.890   9.246
  672    HB   THR  95           HB       THR  95  -7.179  -7.156  10.894
  673    HG1  THR  95           HG1      THR  95  -5.700  -6.395  12.243
  674   1HG2  THR  95          3HG2      THR  95  -5.155  -9.171   9.902
  675   2HG2  THR  95          2HG2      THR  95  -6.229  -9.496  11.262
  676   3HG2  THR  95          1HG2      THR  95  -6.902  -9.183   9.662
  677    H    PHE  96           H        PHE  96  -4.962  -7.642   7.231
  678    HA   PHE  96           HA       PHE  96  -7.593  -7.245   5.928
  679   1HB   PHE  96          1HB       PHE  96  -5.138  -8.489   4.678
  680   2HB   PHE  96          2HB       PHE  96  -6.493  -7.704   3.868
  681    HD1  PHE  96           HD1      PHE  96  -6.835  -5.275   5.549
  682    HD2  PHE  96           HD2      PHE  96  -3.279  -7.180   4.081
  683    HE1  PHE  96           HE1      PHE  96  -5.634  -3.108   5.651
  684    HE2  PHE  96           HE2      PHE  96  -2.083  -5.021   4.185
  685    HZ   PHE  96           HZ       PHE  96  -3.252  -2.980   4.966
  686    H    ASP  97           H        ASP  97  -9.047  -8.880   5.856
  687    HA   ASP  97           HA       ASP  97  -8.066 -11.678   5.826
  688   1HB   ASP  97          1HB       ASP  97  -9.807 -12.257   7.578
  689   2HB   ASP  97          2HB       ASP  97  -8.437 -11.323   8.181
  690    H    TYR  98           H        TYR  98  -9.096 -10.320   3.665
  691    HA   TYR  98           HA       TYR  98 -11.973 -10.814   3.439
  692   1HB   TYR  98          1HB       TYR  98 -11.644 -10.183   1.063
  693   2HB   TYR  98          2HB       TYR  98 -10.883  -9.004   2.127
  694    HD1  TYR  98           HD1      TYR  98 -10.129 -12.119   0.183
  695    HD2  TYR  98           HD2      TYR  98  -8.602  -8.467   1.846
  696    HE1  TYR  98           HE1      TYR  98  -7.954 -12.539  -0.910
  697    HE2  TYR  98           HE2      TYR  98  -6.413  -8.878   0.730
  698    HH   TYR  98           HH       TYR  98  -5.973 -10.945  -1.730
  699    H    GLN  99           H        GLN  99 -12.905 -12.629   2.449
  700    HA   GLN  99           HA       GLN  99 -12.679 -15.117   2.517
  701   1HB   GLN  99          1HB       GLN  99 -12.688 -15.583   0.031
  702   2HB   GLN  99          2HB       GLN  99 -13.841 -14.359   0.563
  703   1HG   GLN  99          1HG       GLN  99 -12.396 -12.573  -0.161
  704   2HG   GLN  99          2HG       GLN  99 -11.076 -13.698  -0.479
  705   1HE2  GLN  99          2HE2      GLN  99 -13.757 -12.991  -3.371
  706   2HE2  GLN  99          1HE2      GLN  99 -13.644 -12.053  -1.961
  707    H    MET 100           H        MET 100 -10.400 -14.988   3.642
  708    HA   MET 100           HA       MET 100  -8.633 -16.813   2.322
  709   1HB   MET 100          1HB       MET 100  -8.397 -14.240   1.294
  710   2HB   MET 100          2HB       MET 100  -7.136 -14.287   2.528
  711   1HG   MET 100          2HG       MET 100  -7.218 -16.745   0.950
  712   2HG   MET 100          1HG       MET 100  -6.937 -15.321  -0.051
  713   1HE   MET 100          1HE       MET 100  -5.723 -13.325   1.577
  714   2HE   MET 100          3HE       MET 100  -3.981 -13.582   1.739
  715   3HE   MET 100          2HE       MET 100  -4.754 -13.725   0.162
  716    H    THR 101           H        THR 101  -6.393 -16.746   3.561
  717    HA   THR 101           HA       THR 101  -6.886 -17.043   6.344
  718    HB   THR 101           HB       THR 101  -4.949 -18.126   5.473
  719    HG1  THR 101           HG1      THR 101  -3.418 -17.404   6.846
  720   1HG2  THR 101          2HG2      THR 101  -4.613 -15.562   4.079
  721   2HG2  THR 101          1HG2      THR 101  -3.103 -16.251   4.675
  722   3HG2  THR 101          3HG2      THR 101  -4.127 -17.183   3.584
  723    HA   PRO 102           HA       PRO 102  -6.793 -12.862   7.749
  724   1HB   PRO 102          1HB       PRO 102  -5.966 -13.262  10.345
  725   2HB   PRO 102          2HB       PRO 102  -7.611 -13.592   9.775
  726   1HG   PRO 102          1HG       PRO 102  -5.414 -15.520  10.391
  727   2HG   PRO 102          2HG       PRO 102  -7.168 -15.749  10.488
  728   1HD   PRO 102          1HD       PRO 102  -5.522 -16.695   8.417
  729   2HD   PRO 102          2HD       PRO 102  -7.287 -16.532   8.329
  730    H    THR 103           H        THR 103  -5.270 -11.167   7.959
  731    HA   THR 103           HA       THR 103  -2.431 -11.930   8.401
  732    HB   THR 103           HB       THR 103  -3.618 -10.779   5.898
  733    HG1  THR 103           HG1      THR 103  -2.907 -12.727   5.518
  734   1HG2  THR 103          3HG2      THR 103  -0.996  -9.932   7.122
  735   2HG2  THR 103          2HG2      THR 103  -1.143 -10.058   5.369
  736   3HG2  THR 103          1HG2      THR 103  -2.187  -8.955   6.263
  737    H    LYS 104           H        LYS 104  -1.881 -10.653  10.113
  738    HA   LYS 104           HA       LYS 104  -3.081  -7.976  10.416
  739   1HB   LYS 104          1HB       LYS 104  -2.425  -9.553  12.374
  740   2HB   LYS 104          2HB       LYS 104  -0.758  -9.106  12.011
  741   1HG   LYS 104          1HG       LYS 104  -1.033  -6.938  12.726
  742   2HG   LYS 104          2HG       LYS 104  -2.737  -6.892  12.276
  743   1HD   LYS 104          1HD       LYS 104  -3.061  -8.621  14.191
  744   2HD   LYS 104          2HD       LYS 104  -1.475  -8.077  14.741
  745   1HE   LYS 104          1HE       LYS 104  -3.648  -6.090  14.098
  746   2HE   LYS 104          2HE       LYS 104  -3.573  -6.865  15.681
  747   1HZ   LYS 104          3HZ       LYS 104  -1.117  -6.142  15.603
  748   2HZ   LYS 104          2HZ       LYS 104  -1.635  -5.046  14.413
  749   3HZ   LYS 104          1HZ       LYS 104  -2.299  -4.983  15.975
  750    H    VAL 105           H        VAL 105  -1.720  -6.019  10.225
  751    HA   VAL 105           HA       VAL 105   0.997  -6.429   9.147
  752    HB   VAL 105           HB       VAL 105   0.549  -5.191   7.063
  753   1HG1  VAL 105          1HG1      VAL 105   0.295  -7.706   7.215
  754   2HG1  VAL 105          3HG1      VAL 105  -1.444  -7.454   7.367
  755   3HG1  VAL 105          2HG1      VAL 105  -0.605  -6.955   5.898
  756   1HG2  VAL 105          1HG2      VAL 105  -1.557  -4.045   8.192
  757   2HG2  VAL 105          3HG2      VAL 105  -1.528  -4.329   6.456
  758   3HG2  VAL 105          2HG2      VAL 105  -2.414  -5.423   7.515
  759    H    LYS 106           H        LYS 106   2.291  -4.681   9.317
  760    HA   LYS 106           HA       LYS 106   1.364  -2.374  10.915
  761   1HB   LYS 106          1HB       LYS 106   3.929  -3.578  10.077
  762   2HB   LYS 106          2HB       LYS 106   3.919  -1.827   9.933
  763   1HG   LYS 106          1HG       LYS 106   4.407  -1.780  12.125
  764   2HG   LYS 106          2HG       LYS 106   2.744  -2.301  12.404
  765   1HD   LYS 106          1HD       LYS 106   3.479  -4.673  12.212
  766   2HD   LYS 106          2HD       LYS 106   5.142  -4.120  12.013
  767   1HE   LYS 106          1HE       LYS 106   3.373  -3.848  14.452
  768   2HE   LYS 106          2HE       LYS 106   4.941  -4.645  14.329
  769   1HZ   LYS 106          1HZ       LYS 106   5.885  -2.423  13.778
  770   2HZ   LYS 106          3HZ       LYS 106   4.383  -1.737  14.165
  771   3HZ   LYS 106          2HZ       LYS 106   5.276  -2.551  15.358
  772    H    VAL 107           H        VAL 107   0.445  -0.610   9.676
  773    HA   VAL 107           HA       VAL 107   1.156  -0.718   6.761
  774    HB   VAL 107           HB       VAL 107  -1.080   0.329   6.376
  775   1HG1  VAL 107          3HG1      VAL 107  -0.475  -2.266   6.707
  776   2HG1  VAL 107          2HG1      VAL 107  -1.707  -2.080   7.956
  777   3HG1  VAL 107          1HG1      VAL 107  -2.087  -1.697   6.277
  778   1HG2  VAL 107          1HG2      VAL 107  -1.368  -0.174   9.337
  779   2HG2  VAL 107          3HG2      VAL 107  -1.410   1.392   8.533
  780   3HG2  VAL 107          2HG2      VAL 107  -2.696   0.219   8.263
  781    H    HIS 108           H        HIS 108   1.365   1.226   5.606
  782    HA   HIS 108           HA       HIS 108   1.444   3.742   7.201
  783   1HB   HIS 108          1HB       HIS 108   3.750   2.804   7.261
  784   2HB   HIS 108          2HB       HIS 108   3.766   2.793   5.496
  785    HD1  HIS 108           HD1      HIS 108   5.804   4.547   5.759
  786    HD2  HIS 108           HD2      HIS 108   2.059   5.929   6.957
  787    HE1  HIS 108           HE1      HIS 108   5.985   7.069   5.905
  788    H    MET 109           H        MET 109  -0.109   4.821   6.017
  789    HA   MET 109           HA       MET 109   0.034   4.682   3.039
  790   1HB   MET 109          1HB       MET 109  -2.067   6.138   4.646
  791   2HB   MET 109          2HB       MET 109  -2.207   5.470   3.025
  792   1HG   MET 109          2HG       MET 109  -2.333   3.234   3.845
  793   2HG   MET 109          1HG       MET 109  -1.739   3.698   5.439
  794   1HE   MET 109          2HE       MET 109  -4.375   3.028   3.156
  795   2HE   MET 109          1HE       MET 109  -5.894   3.655   3.782
  796   3HE   MET 109          3HE       MET 109  -4.782   4.723   2.915
  797    H    LYS 110           H        LYS 110   1.176   6.409   1.976
  798    HA   LYS 110           HA       LYS 110   1.062   9.009   3.507
  799   1HB   LYS 110          1HB       LYS 110   3.332   7.527   3.181
  800   2HB   LYS 110          2HB       LYS 110   3.433   8.624   1.803
  801   1HG   LYS 110          1HG       LYS 110   3.251  10.556   3.254
  802   2HG   LYS 110          2HG       LYS 110   2.887   9.535   4.644
  803   1HD   LYS 110          1HD       LYS 110   5.213   8.422   3.997
  804   2HD   LYS 110          2HD       LYS 110   5.500  10.003   3.266
  805   1HE   LYS 110          1HE       LYS 110   4.425  10.695   5.698
  806   2HE   LYS 110          2HE       LYS 110   5.348   9.250   6.108
  807   1HZ   LYS 110          2HZ       LYS 110   6.445  11.524   4.550
  808   2HZ   LYS 110          1HZ       LYS 110   6.633  11.351   6.230
  809   3HZ   LYS 110          3HZ       LYS 110   7.303  10.200   5.179
  810    H    LYS 111           H        LYS 111   2.298  10.634   1.616
  811    HA   LYS 111           HA       LYS 111   0.333  10.469  -0.626
  812   1HB   LYS 111          1HB       LYS 111  -0.039  12.425   0.778
  813   2HB   LYS 111          2HB       LYS 111   1.660  12.881   0.653
  814   1HG   LYS 111          1HG       LYS 111   1.434  13.286  -1.727
  815   2HG   LYS 111          2HG       LYS 111  -0.212  12.651  -1.722
  816   1HD   LYS 111          1HD       LYS 111  -0.249  14.614   0.256
  817   2HD   LYS 111          2HD       LYS 111   0.742  15.318  -1.023
  818   1HE   LYS 111          1HE       LYS 111  -1.394  14.076  -2.357
  819   2HE   LYS 111          2HE       LYS 111  -2.126  14.880  -0.967
  820   1HZ   LYS 111          3HZ       LYS 111  -0.430  16.754  -1.802
  821   2HZ   LYS 111          2HZ       LYS 111  -0.805  16.016  -3.286
  822   3HZ   LYS 111          1HZ       LYS 111  -2.044  16.657  -2.316
  823    H    ALA 112           H        ALA 112   1.548   9.402  -2.167
  824    HA   ALA 112           HA       ALA 112   4.310   9.649  -2.651
  825   1HB   ALA 112          1HB       ALA 112   2.078   8.437  -3.910
  826   2HB   ALA 112          3HB       ALA 112   2.921   9.373  -5.143
  827   3HB   ALA 112          2HB       ALA 112   3.790   8.143  -4.227
  828    H    LEU 113           H        LEU 113   5.547  11.199  -3.661
  829    HA   LEU 113           HA       LEU 113   4.064  13.491  -4.879
  830   1HB   LEU 113          1HB       LEU 113   6.180  14.811  -4.255
  831   2HB   LEU 113          2HB       LEU 113   5.133  14.329  -2.919
  832    HG   LEU 113           HG       LEU 113   7.179  12.332  -3.659
  833   1HD1  LEU 113          2HD1      LEU 113   8.439  14.451  -3.979
  834   2HD1  LEU 113          1HD1      LEU 113   7.975  14.952  -2.353
  835   3HD1  LEU 113          3HD1      LEU 113   9.016  13.547  -2.578
  836   1HD2  LEU 113          1HD2      LEU 113   5.685  12.132  -1.698
  837   2HD2  LEU 113          3HD2      LEU 113   7.374  12.216  -1.200
  838   3HD2  LEU 113          2HD2      LEU 113   6.339  13.635  -1.049
  839    H    SER 114           H        SER 114   6.474  11.055  -5.342
  840    HA   SER 114           HA       SER 114   8.116  12.164  -7.333
  841   1HB   SER 114          1HB       SER 114   7.154   9.412  -6.702
  842   2HB   SER 114          2HB       SER 114   7.895   9.666  -8.279
  843    HG   SER 114           HG       SER 114   9.170   9.229  -6.118
  844    H    GLY 115           H        GLY 115   4.969  10.511  -7.755
  845   1HA   GLY 115          1HA       GLY 115   3.999  12.230  -9.758
  846   2HA   GLY 115          2HA       GLY 115   4.862  10.939 -10.592
  847    H    ASP 116           H        ASP 116   2.873  10.804  -7.632
  848    HA   ASP 116           HA       ASP 116   0.920   9.142  -9.132
  849   1HB   ASP 116          1HB       ASP 116   2.444   8.322  -6.659
  850   2HB   ASP 116          2HB       ASP 116   0.896   7.588  -7.079
  851    H    SER 117           H        SER 117   1.053   9.460  -5.612
  852    HA   SER 117           HA       SER 117  -0.326  11.768  -5.053
  853   1HB   SER 117          1HB       SER 117  -2.106   9.849  -6.436
  854   2HB   SER 117          2HB       SER 117  -2.767  10.565  -4.969
  855    HG   SER 117           HG       SER 117  -2.363  12.600  -5.836
  856    H    TYR 118           H        TYR 118  -1.771   8.570  -4.420
  857    HA   TYR 118           HA       TYR 118  -0.940   8.874  -1.549
  858   1HB   TYR 118          1HB       TYR 118  -3.440   7.425  -2.376
  859   2HB   TYR 118          2HB       TYR 118  -3.102   8.204  -0.832
  860    HD1  TYR 118           HD2      TYR 118  -2.905  10.784  -0.843
  861    HD2  TYR 118           HD1      TYR 118  -4.585   8.482  -4.044
  862    HE1  TYR 118           HE2      TYR 118  -4.060  12.802  -1.690
  863    HE2  TYR 118           HE1      TYR 118  -5.735  10.479  -4.892
  864    HH   TYR 118           HH       TYR 118  -6.520  12.661  -4.053
  865    H    TRP 119           H        TRP 119   0.174   7.108  -0.751
  866    HA   TRP 119           HA       TRP 119  -0.275   4.535  -2.111
  867   1HB   TRP 119          1HB       TRP 119   2.109   3.978  -1.907
  868   2HB   TRP 119          2HB       TRP 119   1.783   5.301  -3.014
  869    HD1  TRP 119           HD1      TRP 119   3.076   7.416  -2.613
  870    HE1  TRP 119           HE1      TRP 119   4.701   8.284  -0.836
  871    HE3  TRP 119           HE3      TRP 119   2.373   3.857   0.753
  872    HZ2  TRP 119           HZ2      TRP 119   5.604   7.472   1.792
  873    HZ3  TRP 119           HZ3      TRP 119   3.610   3.842   2.933
  874    HH2  TRP 119           HH2      TRP 119   5.222   5.655   3.443
  875    H    VAL 120           H        VAL 120   0.397   2.635  -0.884
  876    HA   VAL 120           HA       VAL 120   0.364   3.058   2.047
  877    HB   VAL 120           HB       VAL 120  -1.602   1.248   0.588
  878   1HG1  VAL 120          1HG1      VAL 120  -0.801   1.645   3.433
  879   2HG1  VAL 120          3HG1      VAL 120  -2.519   1.415   3.104
  880   3HG1  VAL 120          2HG1      VAL 120  -1.354   0.186   2.613
  881   1HG2  VAL 120          3HG2      VAL 120  -1.940   3.906   1.997
  882   2HG2  VAL 120          2HG2      VAL 120  -2.283   3.546   0.307
  883   3HG2  VAL 120          1HG2      VAL 120  -3.284   2.847   1.578
  884    H    PHE 121           H        PHE 121   2.137   1.919   2.701
  885    HA   PHE 121           HA       PHE 121   2.834  -0.533   1.212
  886   1HB   PHE 121          1HB       PHE 121   4.430   0.713   3.478
  887   2HB   PHE 121          2HB       PHE 121   4.994  -0.458   2.288
  888    HD1  PHE 121           HD1      PHE 121   3.328   1.022  -0.009
  889    HD2  PHE 121           HD2      PHE 121   6.278   2.261   2.853
  890    HE1  PHE 121           HE1      PHE 121   3.986   2.885  -1.505
  891    HE2  PHE 121           HE2      PHE 121   6.910   4.147   1.366
  892    HZ   PHE 121           HZ       PHE 121   5.772   4.441  -0.813
  893    H    VAL 122           H        VAL 122   2.728  -2.551   2.193
  894    HA   VAL 122           HA       VAL 122   1.524  -2.491   4.910
  895    HB   VAL 122           HB       VAL 122   0.827  -4.004   2.441
  896   1HG1  VAL 122          1HG1      VAL 122   0.920  -5.259   5.183
  897   2HG1  VAL 122          3HG1      VAL 122  -0.312  -5.741   4.020
  898   3HG1  VAL 122          2HG1      VAL 122   1.395  -5.961   3.639
  899   1HG2  VAL 122          3HG2      VAL 122  -0.425  -2.131   3.730
  900   2HG2  VAL 122          2HG2      VAL 122  -1.352  -3.526   3.175
  901   3HG2  VAL 122          1HG2      VAL 122  -0.854  -3.413   4.864
  902    H    LYS 123           H        LYS 123   3.018  -3.038   6.287
  903    HA   LYS 123           HA       LYS 123   5.169  -4.949   5.667
  904   1HB   LYS 123          1HB       LYS 123   5.179  -2.763   7.235
  905   2HB   LYS 123          2HB       LYS 123   4.672  -3.949   8.430
  906   1HG   LYS 123          1HG       LYS 123   7.097  -3.792   8.466
  907   2HG   LYS 123          2HG       LYS 123   6.630  -5.361   7.808
  908   1HD   LYS 123          1HD       LYS 123   7.496  -4.894   5.768
  909   2HD   LYS 123          2HD       LYS 123   6.856  -3.254   5.777
  910   1HE   LYS 123          1HE       LYS 123   9.278  -3.118   5.787
  911   2HE   LYS 123          2HE       LYS 123   8.688  -2.607   7.364
  912   1HZ   LYS 123          2HZ       LYS 123   9.228  -5.444   7.062
  913   2HZ   LYS 123          1HZ       LYS 123  10.587  -4.423   7.051
  914   3HZ   LYS 123          3HZ       LYS 123   9.528  -4.413   8.377
  915    H    ARG 124           H        ARG 124   5.247  -7.054   6.643
  916    HA   ARG 124           HA       ARG 124   2.552  -7.946   7.533
  917   1HB   ARG 124          1HB       ARG 124   3.572  -9.243   5.725
  918   2HB   ARG 124          2HB       ARG 124   4.995  -9.559   6.719
  919   1HG   ARG 124          1HG       ARG 124   3.899 -11.091   8.048
  920   2HG   ARG 124          2HG       ARG 124   2.337 -10.290   7.864
  921   1HD   ARG 124          1HD       ARG 124   2.240 -11.091   5.506
  922   2HD   ARG 124          2HD       ARG 124   3.751 -11.963   5.765
  923    HE   ARG 124           HE       ARG 124   1.158 -12.617   7.090
  924   1HH1  ARG 124          2HH1      ARG 124   4.356 -13.106   7.746
  925   2HH1  ARG 124          1HH1      ARG 124   4.332 -14.831   7.603
  926   1HH2  ARG 124          1HH2      ARG 124   1.139 -14.943   6.259
  927   2HH2  ARG 124          2HH2      ARG 124   2.511 -15.872   6.766
  928    H    VAL 125           H        VAL 125   2.112  -8.466   9.588
  929    HA   VAL 125           HA       VAL 125   4.401  -8.589  11.505
  930    HB   VAL 125           HB       VAL 125   1.866  -8.277  12.852
  931   1HG1  VAL 125          1HG1      VAL 125   4.290  -6.503  12.476
  932   2HG1  VAL 125          3HG1      VAL 125   3.011  -6.200  13.650
  933   3HG1  VAL 125          2HG1      VAL 125   4.012  -7.645  13.790
  934   1HG2  VAL 125          3HG2      VAL 125   2.425  -6.329  10.602
  935   2HG2  VAL 125          2HG2      VAL 125   0.928  -7.184  10.950
  936   3HG2  VAL 125          1HG2      VAL 125   1.465  -5.891  12.015
  937    H2   HC4  69           H2       HC4  69  -6.736  -4.978   3.026
  938    H3   HC4  69           H3       HC4  69  -7.645  -7.049   0.969
  939    H2'  HC4  69           H2'      HC4  69  -5.776  -7.670  -0.582
  940    H3'  HC4  69           H3'      HC4  69  -3.399  -7.499  -1.295
  941    H5'  HC4  69           H5'      HC4  69  -2.665  -4.573   1.778
  942    H6'  HC4  69           H6'      HC4  69  -5.025  -4.749   2.485
   
  No H/Q in entry =         942
  Start of MODEL   23
    1   1H    MET   1           H2       MET   1  16.331   7.486  13.520
    2   2H    MET   1           H1       MET   1  17.062   9.006  13.730
    3   3H    MET   1           H3       MET   1  15.519   8.897  13.036
    4    HA   MET   1           HA       MET   1  16.925   9.255  11.226
    5   1HB   MET   1          1HB       MET   1  19.011   7.985  10.924
    6   2HB   MET   1          2HB       MET   1  19.025   8.831  12.473
    7   1HG   MET   1          2HG       MET   1  18.101   6.662  13.487
    8   2HG   MET   1          1HG       MET   1  18.534   5.893  11.959
    9   1HE   MET   1          3HE       MET   1  19.451   5.800  15.209
   10   2HE   MET   1          2HE       MET   1  19.832   4.466  14.123
   11   3HE   MET   1          1HE       MET   1  21.117   5.224  15.060
   12    H    GLU   2           H        GLU   2  16.849   8.005   9.238
   13    HA   GLU   2           HA       GLU   2  15.826   6.427   7.832
   14   1HB   GLU   2          1HB       GLU   2  17.593   5.057   9.206
   15   2HB   GLU   2          2HB       GLU   2  16.174   4.386  10.013
   16   1HG   GLU   2          1HG       GLU   2  15.622   4.387   7.224
   17   2HG   GLU   2          2HG       GLU   2  17.239   3.714   7.433
   18    H    HIS   3           H        HIS   3  13.901   7.886   8.865
   19    HA   HIS   3           HA       HIS   3  11.965   6.064  10.213
   20   1HB   HIS   3          1HB       HIS   3  12.400   8.993  10.161
   21   2HB   HIS   3          2HB       HIS   3  10.712   8.483  10.127
   22    HD1  HIS   3           HD1      HIS   3  12.978   9.498  12.535
   23    HD2  HIS   3           HD2      HIS   3  10.628   6.067  12.228
   24    HE1  HIS   3           HE1      HIS   3  12.763   8.564  14.879
   25    H    VAL   4           H        VAL   4  11.261   4.850   8.404
   26    HA   VAL   4           HA       VAL   4   9.380   6.275   6.643
   27    HB   VAL   4           HB       VAL   4  11.563   6.444   5.454
   28   1HG1  VAL   4          3HG1      VAL   4  12.059   3.961   6.503
   29   2HG1  VAL   4          2HG1      VAL   4  11.620   3.551   4.846
   30   3HG1  VAL   4          1HG1      VAL   4  12.954   4.662   5.155
   31   1HG2  VAL   4          1HG2      VAL   4   9.122   5.233   4.467
   32   2HG2  VAL   4          3HG2      VAL   4  10.208   6.360   3.653
   33   3HG2  VAL   4          2HG2      VAL   4  10.512   4.625   3.568
   34    H    ALA   5           H        ALA   5   7.634   5.009   6.357
   35    HA   ALA   5           HA       ALA   5   6.261   3.123   6.975
   36   1HB   ALA   5          3HB       ALA   5   7.203   3.286   4.411
   37   2HB   ALA   5          2HB       ALA   5   7.623   1.628   4.837
   38   3HB   ALA   5          1HB       ALA   5   5.948   2.170   4.947
   39    H    PHE   6           H        PHE   6   7.266   2.425   9.054
   40    HA   PHE   6           HA       PHE   6   8.219   0.791  10.441
   41   1HB   PHE   6          1HB       PHE   6   8.345  -1.374   8.462
   42   2HB   PHE   6          2HB       PHE   6   7.463  -1.284   9.969
   43    HD1  PHE   6           HD1      PHE   6   5.336   0.115  10.038
   44    HD2  PHE   6           HD2      PHE   6   7.191  -1.155   6.365
   45    HE1  PHE   6           HE1      PHE   6   3.212   0.492   8.826
   46    HE2  PHE   6           HE2      PHE   6   5.039  -0.797   5.175
   47    HZ   PHE   6           HZ       PHE   6   3.077   0.034   6.407
   48    H    GLY   7           H        GLY   7   9.614  -0.670   7.518
   49   1HA   GLY   7          1HA       GLY   7  12.233   0.548   8.156
   50   2HA   GLY   7          2HA       GLY   7  12.105  -1.214   8.092
   51    H    SER   8           H        SER   8  10.483   1.192   6.079
   52    HA   SER   8           HA       SER   8  10.912  -0.277   3.681
   53   1HB   SER   8          1HB       SER   8  10.444   2.282   2.798
   54   2HB   SER   8          2HB       SER   8   9.195   1.108   3.201
   55    HG   SER   8           HG       SER   8   9.128   3.239   4.268
   56    H    GLU   9           H        GLU   9  12.091   0.533   1.760
   57    HA   GLU   9           HA       GLU   9  14.746   1.678   2.538
   58   1HB   GLU   9          1HB       GLU   9  13.842  -0.395   0.598
   59   2HB   GLU   9          2HB       GLU   9  15.138   0.667   0.051
   60   1HG   GLU   9          1HG       GLU   9  16.451   0.117   2.068
   61   2HG   GLU   9          2HG       GLU   9  15.155  -0.945   2.622
   62    H    ASP  10           H        ASP  10  13.061   3.707   2.304
   63    HA   ASP  10           HA       ASP  10  12.498   5.615   1.035
   64   1HB   ASP  10          1HB       ASP  10  14.935   4.522  -0.350
   65   2HB   ASP  10          2HB       ASP  10  14.031   5.831  -1.114
   66    H    ILE  11           H        ILE  11  10.513   4.222   0.658
   67    HA   ILE  11           HA       ILE  11  10.244   2.734  -1.787
   68    HB   ILE  11           HB       ILE  11   7.913   3.879  -0.440
   69   1HG1  ILE  11          1HG1      ILE  11   9.251   3.218   1.489
   70   2HG1  ILE  11          2HG1      ILE  11   7.961   2.048   1.244
   71   1HG2  ILE  11          2HG2      ILE  11   8.202   2.122  -2.429
   72   2HG2  ILE  11          1HG2      ILE  11   8.212   1.014  -1.057
   73   3HG2  ILE  11          3HG2      ILE  11   6.833   2.081  -1.316
   74   1HD1  ILE  11          3HD1      ILE  11   9.784   0.894  -0.305
   75   2HD1  ILE  11          2HD1      ILE  11  10.884   1.749   0.777
   76   3HD1  ILE  11          1HD1      ILE  11   9.719   0.606   1.426
   77    H    GLU  12           H        GLU  12   8.487   5.674  -0.810
   78    HA   GLU  12           HA       GLU  12   7.300   6.405  -3.119
   79   1HB   GLU  12          1HB       GLU  12   7.734   8.822  -2.515
   80   2HB   GLU  12          2HB       GLU  12   7.100   7.831  -1.201
   81   1HG   GLU  12          1HG       GLU  12   9.526   7.446  -0.501
   82   2HG   GLU  12          2HG       GLU  12   9.955   8.730  -1.631
   83    H    ASN  13           H        ASN  13  10.756   7.218  -2.515
   84    HA   ASN  13           HA       ASN  13  11.126   8.398  -5.120
   85   1HB   ASN  13          1HB       ASN  13  13.015   7.267  -3.048
   86   2HB   ASN  13          2HB       ASN  13  13.605   7.851  -4.605
   87   1HD2  ASN  13          2HD2      ASN  13  12.976  10.539  -1.759
   88   2HD2  ASN  13          1HD2      ASN  13  13.232   8.880  -1.492
   89    H    THR  14           H        THR  14  11.716   5.159  -3.804
   90    HA   THR  14           HA       THR  14  12.694   4.030  -6.280
   91    HB   THR  14           HB       THR  14  11.667   2.893  -3.669
   92    HG1  THR  14           HG1      THR  14  13.720   3.621  -3.541
   93   1HG2  THR  14          1HG2      THR  14  12.274   1.451  -6.231
   94   2HG2  THR  14          3HG2      THR  14  12.679   0.691  -4.692
   95   3HG2  THR  14          2HG2      THR  14  11.009   1.137  -5.044
   96    H    LEU  15           H        LEU  15   9.592   5.006  -5.341
   97    HA   LEU  15           HA       LEU  15   8.249   2.931  -6.965
   98   1HB   LEU  15          1HB       LEU  15   7.153   5.136  -5.197
   99   2HB   LEU  15          2HB       LEU  15   6.166   3.961  -6.064
  100    HG   LEU  15           HG       LEU  15   8.337   3.103  -4.163
  101   1HD1  LEU  15          3HD1      LEU  15   5.759   4.343  -3.577
  102   2HD1  LEU  15          2HD1      LEU  15   5.915   2.736  -2.868
  103   3HD1  LEU  15          1HD1      LEU  15   7.101   3.986  -2.494
  104   1HD2  LEU  15          3HD2      LEU  15   5.889   1.823  -5.380
  105   2HD2  LEU  15          2HD2      LEU  15   7.572   1.328  -5.561
  106   3HD2  LEU  15          1HD2      LEU  15   6.751   1.117  -4.013
  107    H    ALA  16           H        ALA  16   9.234   6.261  -7.040
  108    HA   ALA  16           HA       ALA  16   7.465   6.968  -9.269
  109   1HB   ALA  16          2HB       ALA  16   8.680   8.460  -7.365
  110   2HB   ALA  16          1HB       ALA  16   9.855   8.629  -8.669
  111   3HB   ALA  16          3HB       ALA  16   8.179   9.118  -8.923
  112    H    LYS  17           H        LYS  17  10.710   5.732  -8.821
  113    HA   LYS  17           HA       LYS  17  11.102   5.904 -11.786
  114   1HB   LYS  17          1HB       LYS  17  12.701   7.057  -9.896
  115   2HB   LYS  17          2HB       LYS  17  13.490   5.492 -10.095
  116   1HG   LYS  17          1HG       LYS  17  14.310   6.082 -12.109
  117   2HG   LYS  17          2HG       LYS  17  12.719   6.605 -12.665
  118   1HD   LYS  17          1HD       LYS  17  13.385   8.592 -10.881
  119   2HD   LYS  17          2HD       LYS  17  14.947   8.201 -11.598
  120   1HE   LYS  17          1HE       LYS  17  14.178   8.670 -13.795
  121   2HE   LYS  17          2HE       LYS  17  12.488   8.658 -13.290
  122   1HZ   LYS  17          3HZ       LYS  17  13.112  10.589 -11.812
  123   2HZ   LYS  17          2HZ       LYS  17  14.559  10.684 -12.697
  124   3HZ   LYS  17          1HZ       LYS  17  13.067  10.902 -13.479
  125    H    MET  18           H        MET  18  10.884   3.830  -9.033
  126    HA   MET  18           HA       MET  18  10.924   1.491  -8.893
  127   1HB   MET  18          1HB       MET  18  10.115   2.022 -11.502
  128   2HB   MET  18          2HB       MET  18  11.487   0.932 -11.709
  129   1HG   MET  18          2HG       MET  18   9.975  -0.715 -11.304
  130   2HG   MET  18          1HG       MET  18  10.159  -0.245  -9.615
  131   1HE   MET  18          2HE       MET  18   8.994   1.465  -8.488
  132   2HE   MET  18          1HE       MET  18   7.257   1.729  -8.618
  133   3HE   MET  18          3HE       MET  18   7.883   0.125  -8.213
  134    H    ASP  19           H        ASP  19  12.555  -0.074  -8.619
  135    HA   ASP  19           HA       ASP  19  14.983  -0.295 -10.007
  136   1HB   ASP  19          1HB       ASP  19  14.900   2.075  -8.396
  137   2HB   ASP  19          2HB       ASP  19  16.055   0.954  -7.675
  138    H    ASP  20           H        ASP  20  16.437  -1.797  -8.918
  139    HA   ASP  20           HA       ASP  20  16.820  -3.673  -7.550
  140   1HB   ASP  20          1HB       ASP  20  15.772  -1.561  -5.729
  141   2HB   ASP  20          2HB       ASP  20  15.766  -3.212  -5.108
  142    H    GLY  21           H        GLY  21  15.236  -4.800  -8.965
  143   1HA   GLY  21          1HA       GLY  21  13.422  -6.283  -9.165
  144   2HA   GLY  21          2HA       GLY  21  13.169  -6.101  -7.425
  145    H    GLN  22           H        GLN  22  13.292  -3.218  -9.338
  146    HA   GLN  22           HA       GLN  22  11.678  -1.570  -9.703
  147   1HB   GLN  22          1HB       GLN  22  10.202  -4.112 -10.393
  148   2HB   GLN  22          2HB       GLN  22   9.492  -2.514 -10.625
  149   1HG   GLN  22          1HG       GLN  22  11.785  -2.017 -11.843
  150   2HG   GLN  22          2HG       GLN  22  11.823  -3.771 -12.028
  151   1HE2  GLN  22          2HE2      GLN  22   9.345  -1.580 -14.347
  152   2HE2  GLN  22          1HE2      GLN  22  10.444  -0.859 -13.273
  153    H    LEU  23           H        LEU  23  11.935  -2.628  -6.950
  154    HA   LEU  23           HA       LEU  23  10.805  -2.385  -4.908
  155   1HB   LEU  23          1HB       LEU  23  10.212  -0.183  -6.261
  156   2HB   LEU  23          2HB       LEU  23   8.613  -0.907  -6.350
  157    HG   LEU  23           HG       LEU  23   9.001   0.691  -4.407
  158   1HD1  LEU  23          2HD1      LEU  23   8.171  -2.163  -3.855
  159   2HD1  LEU  23          1HD1      LEU  23   7.854  -0.810  -2.775
  160   3HD1  LEU  23          3HD1      LEU  23   7.133  -0.843  -4.383
  161   1HD2  LEU  23          3HD2      LEU  23  11.333  -0.593  -4.015
  162   2HD2  LEU  23          2HD2      LEU  23  10.467   0.206  -2.702
  163   3HD2  LEU  23          1HD2      LEU  23  10.314  -1.534  -2.931
  164    H    ASP  24           H        ASP  24  10.421  -4.784  -5.491
  165    HA   ASP  24           HA       ASP  24   7.518  -5.338  -5.184
  166   1HB   ASP  24          1HB       ASP  24   9.137  -5.964  -7.575
  167   2HB   ASP  24          2HB       ASP  24   8.195  -7.316  -6.946
  168    H    GLY  25           H        GLY  25  10.870  -6.394  -4.847
  169   1HA   GLY  25          1HA       GLY  25   9.991  -8.929  -3.606
  170   2HA   GLY  25          2HA       GLY  25  11.652  -8.502  -4.006
  171    H    LEU  26           H        LEU  26   9.670  -6.172  -2.283
  172    HA   LEU  26           HA       LEU  26  11.539  -6.262  -0.048
  173   1HB   LEU  26          1HB       LEU  26   8.930  -4.772   0.059
  174   2HB   LEU  26          2HB       LEU  26  10.490  -4.325   0.737
  175    HG   LEU  26           HG       LEU  26  10.872  -4.478  -2.065
  176   1HD1  LEU  26          1HD1      LEU  26   8.148  -3.926  -1.484
  177   2HD1  LEU  26          3HD1      LEU  26   8.883  -2.394  -1.941
  178   3HD1  LEU  26          2HD1      LEU  26   8.961  -3.771  -3.038
  179   1HD2  LEU  26          3HD2      LEU  26  11.677  -2.883  -0.069
  180   2HD2  LEU  26          2HD2      LEU  26  11.717  -2.345  -1.749
  181   3HD2  LEU  26          1HD2      LEU  26  10.384  -1.862  -0.699
  182    H    ALA  27           H        ALA  27  10.078  -5.969   2.143
  183    HA   ALA  27           HA       ALA  27   8.636  -8.570   2.397
  184   1HB   ALA  27          2HB       ALA  27  10.624  -7.989   3.920
  185   2HB   ALA  27          1HB       ALA  27   9.565  -6.792   4.665
  186   3HB   ALA  27          3HB       ALA  27   9.145  -8.504   4.732
  187    H    PHE  28           H        PHE  28   7.685  -5.845   1.371
  188    HA   PHE  28           HA       PHE  28   5.105  -5.899   2.712
  189   1HB   PHE  28          1HB       PHE  28   5.209  -3.440   3.285
  190   2HB   PHE  28          2HB       PHE  28   6.209  -4.477   4.275
  191    HD1  PHE  28           HD2      PHE  28   8.732  -4.834   3.180
  192    HD2  PHE  28           HD1      PHE  28   6.136  -1.475   2.637
  193    HE1  PHE  28           HE2      PHE  28  10.678  -3.433   2.593
  194    HE2  PHE  28           HE1      PHE  28   8.075  -0.060   2.055
  195    HZ   PHE  28           HZ       PHE  28  10.359  -1.040   2.032
  196    H    GLY  29           H        GLY  29   3.538  -5.213   1.325
  197   1HA   GLY  29          1HA       GLY  29   4.264  -4.755  -1.434
  198   2HA   GLY  29          2HA       GLY  29   2.634  -4.688  -0.777
  199    H    ALA  30           H        ALA  30   4.309  -2.815  -2.594
  200    HA   ALA  30           HA       ALA  30   3.754  -0.358  -0.972
  201   1HB   ALA  30          1HB       ALA  30   6.203  -0.883  -1.801
  202   2HB   ALA  30          3HB       ALA  30   5.591  -0.297  -3.347
  203   3HB   ALA  30          2HB       ALA  30   5.567   0.755  -1.935
  204    H    ILE  31           H        ILE  31   1.583  -0.275  -1.668
  205    HA   ILE  31           HA       ILE  31   1.080  -0.261  -4.566
  206    HB   ILE  31           HB       ILE  31  -1.232  -0.453  -4.036
  207   1HG1  ILE  31          1HG1      ILE  31  -1.846  -0.314  -1.482
  208   2HG1  ILE  31          2HG1      ILE  31  -0.408   0.705  -1.387
  209   1HG2  ILE  31          2HG2      ILE  31   0.138  -2.442  -3.511
  210   2HG2  ILE  31          1HG2      ILE  31   0.315  -1.879  -1.853
  211   3HG2  ILE  31          3HG2      ILE  31  -1.274  -2.335  -2.465
  212   1HD1  ILE  31          2HD1      ILE  31  -2.154   1.374  -3.651
  213   2HD1  ILE  31          1HD1      ILE  31  -2.938   1.580  -2.086
  214   3HD1  ILE  31          3HD1      ILE  31  -1.437   2.435  -2.438
  215    H    GLN  32           H        GLN  32   0.156   1.484  -5.674
  216    HA   GLN  32           HA       GLN  32   0.398   4.126  -4.297
  217   1HB   GLN  32          1HB       GLN  32   0.635   3.676  -7.278
  218   2HB   GLN  32          2HB       GLN  32   1.128   5.092  -6.353
  219   1HG   GLN  32          1HG       GLN  32   2.367   2.345  -6.039
  220   2HG   GLN  32          2HG       GLN  32   3.051   3.627  -7.039
  221   1HE2  GLN  32          2HE2      GLN  32   3.677   5.719  -4.062
  222   2HE2  GLN  32          1HE2      GLN  32   2.933   5.893  -5.576
  223    H    LEU  33           H        LEU  33  -1.145   5.785  -5.466
  224    HA   LEU  33           HA       LEU  33  -3.516   4.476  -6.637
  225   1HB   LEU  33          1HB       LEU  33  -3.543   5.922  -3.972
  226   2HB   LEU  33          2HB       LEU  33  -5.001   5.655  -4.926
  227    HG   LEU  33           HG       LEU  33  -3.132   3.458  -3.986
  228   1HD1  LEU  33          1HD1      LEU  33  -4.518   4.714  -2.218
  229   2HD1  LEU  33          3HD1      LEU  33  -5.933   4.017  -3.005
  230   3HD1  LEU  33          2HD1      LEU  33  -4.714   2.963  -2.289
  231   1HD2  LEU  33          3HD2      LEU  33  -5.385   3.607  -5.862
  232   2HD2  LEU  33          2HD2      LEU  33  -4.183   2.334  -5.654
  233   3HD2  LEU  33          1HD2      LEU  33  -5.607   2.381  -4.614
  234    H    ASP  34           H        ASP  34  -4.784   5.945  -7.839
  235    HA   ASP  34           HA       ASP  34  -3.736   8.745  -7.949
  236   1HB   ASP  34          1HB       ASP  34  -4.557   6.837 -10.082
  237   2HB   ASP  34          2HB       ASP  34  -5.003   8.527 -10.310
  238    H    GLY  35           H        GLY  35  -5.141  10.325  -7.646
  239   1HA   GLY  35          1HA       GLY  35  -7.243  10.738  -6.250
  240   2HA   GLY  35          2HA       GLY  35  -7.296  11.445  -7.858
  241    H    ASP  36           H        ASP  36  -8.105   8.492  -6.116
  242    HA   ASP  36           HA       ASP  36 -10.804   8.291  -6.642
  243   1HB   ASP  36          1HB       ASP  36  -9.280   7.846  -9.094
  244   2HB   ASP  36          2HB       ASP  36 -10.266   6.443  -8.676
  245    H    GLY  37           H        GLY  37  -7.725   6.710  -6.372
  246   1HA   GLY  37          1HA       GLY  37  -7.345   5.014  -4.688
  247   2HA   GLY  37          2HA       GLY  37  -9.031   4.519  -4.861
  248    H    ASN  38           H        ASN  38  -7.379   5.238  -7.812
  249    HA   ASN  38           HA       ASN  38  -7.557   2.376  -8.553
  250   1HB   ASN  38          1HB       ASN  38  -6.756   4.845 -10.115
  251   2HB   ASN  38          2HB       ASN  38  -6.745   3.218 -10.795
  252   1HD2  ASN  38          2HD2      ASN  38 -10.342   2.935 -10.782
  253   2HD2  ASN  38          1HD2      ASN  38  -8.926   2.012 -10.619
  254    H    ILE  39           H        ILE  39  -5.818   1.002  -8.595
  255    HA   ILE  39           HA       ILE  39  -3.371   1.840  -7.359
  256    HB   ILE  39           HB       ILE  39  -4.531  -0.623  -7.907
  257   1HG1  ILE  39          1HG1      ILE  39  -2.152  -1.421  -7.022
  258   2HG1  ILE  39          2HG1      ILE  39  -1.904   0.313  -6.807
  259   1HG2  ILE  39          2HG2      ILE  39  -3.398  -0.447 -10.213
  260   2HG2  ILE  39          1HG2      ILE  39  -1.889  -0.699  -9.337
  261   3HG2  ILE  39          3HG2      ILE  39  -3.153  -1.926  -9.287
  262   1HD1  ILE  39          1HD1      ILE  39  -4.435  -0.037  -5.782
  263   2HD1  ILE  39          3HD1      ILE  39  -3.630  -1.531  -5.302
  264   3HD1  ILE  39          2HD1      ILE  39  -2.957   0.026  -4.821
  265    H    LEU  40           H        LEU  40  -1.439   2.410  -8.149
  266    HA   LEU  40           HA       LEU  40  -1.215   2.851 -11.095
  267   1HB   LEU  40          1HB       LEU  40   0.783   3.966  -9.157
  268   2HB   LEU  40          2HB       LEU  40   0.200   4.651 -10.669
  269    HG   LEU  40           HG       LEU  40  -1.407   4.477  -8.096
  270   1HD1  LEU  40          1HD1      LEU  40   0.493   6.128  -8.103
  271   2HD1  LEU  40          3HD1      LEU  40  -0.250   6.897  -9.506
  272   3HD1  LEU  40          2HD1      LEU  40  -1.099   6.874  -7.961
  273   1HD2  LEU  40          2HD2      LEU  40  -2.005   5.763 -10.777
  274   2HD2  LEU  40          1HD2      LEU  40  -2.786   4.321 -10.127
  275   3HD2  LEU  40          3HD2      LEU  40  -3.015   5.879  -9.337
  276    H    GLN  41           H        GLN  41   0.085   1.302  -8.268
  277    HA   GLN  41           HA       GLN  41   1.548  -0.668  -9.834
  278   1HB   GLN  41          1HB       GLN  41   3.111   1.359  -9.654
  279   2HB   GLN  41          2HB       GLN  41   3.143   1.066  -7.920
  280   1HG   GLN  41          1HG       GLN  41   3.878  -1.021  -9.993
  281   2HG   GLN  41          2HG       GLN  41   5.058   0.009  -9.182
  282   1HE2  GLN  41          2HE2      GLN  41   3.924  -1.564  -5.928
  283   2HE2  GLN  41          1HE2      GLN  41   3.814   0.005  -6.548
  284    H    TYR  42           H        TYR  42   1.777  -2.586  -8.490
  285    HA   TYR  42           HA       TYR  42   0.574  -2.247  -5.774
  286   1HB   TYR  42          1HB       TYR  42  -0.568  -3.714  -7.539
  287   2HB   TYR  42          2HB       TYR  42   0.740  -4.860  -7.287
  288    HD1  TYR  42           HD1      TYR  42  -1.505  -2.726  -5.160
  289    HD2  TYR  42           HD2      TYR  42   0.269  -6.590  -5.773
  290    HE1  TYR  42           HE1      TYR  42  -2.690  -3.594  -3.154
  291    HE2  TYR  42           HE2      TYR  42  -0.925  -7.455  -3.779
  292    HH   TYR  42           HH       TYR  42  -2.121  -6.891  -1.958
  293    H    ASN  43           H        ASN  43   2.567  -4.896  -7.075
  294    HA   ASN  43           HA       ASN  43   5.015  -5.011  -6.324
  295   1HB   ASN  43          1HB       ASN  43   4.782  -3.578  -4.363
  296   2HB   ASN  43          2HB       ASN  43   3.640  -4.699  -3.640
  297   1HD2  ASN  43          2HD2      ASN  43   6.975  -5.311  -2.119
  298   2HD2  ASN  43          1HD2      ASN  43   5.926  -3.984  -2.195
  299    H    ALA  44           H        ALA  44   5.734  -7.085  -6.050
  300    HA   ALA  44           HA       ALA  44   3.786  -9.204  -6.354
  301   1HB   ALA  44          3HB       ALA  44   6.792  -9.234  -5.999
  302   2HB   ALA  44          2HB       ALA  44   5.829 -10.680  -6.315
  303   3HB   ALA  44          1HB       ALA  44   5.892  -9.381  -7.508
  304    H    ALA  45           H        ALA  45   6.142  -8.459  -3.756
  305    HA   ALA  45           HA       ALA  45   5.754 -10.542  -2.007
  306   1HB   ALA  45          3HB       ALA  45   6.018  -7.591  -1.442
  307   2HB   ALA  45          2HB       ALA  45   6.000  -8.791  -0.149
  308   3HB   ALA  45          1HB       ALA  45   7.269  -8.832  -1.373
  309    H    GLU  46           H        GLU  46   3.672  -7.623  -1.949
  310    HA   GLU  46           HA       GLU  46   1.855  -8.682  -0.013
  311   1HB   GLU  46          1HB       GLU  46   0.247  -6.958  -0.992
  312   2HB   GLU  46          2HB       GLU  46   1.775  -6.350  -0.385
  313   1HG   GLU  46          1HG       GLU  46   2.675  -6.268  -2.663
  314   2HG   GLU  46          2HG       GLU  46   1.167  -6.933  -3.280
  315    HE1  GLU  46           HE1      GLU  46  -0.562  -4.277  -1.699
  316    H    GLY  47           H        GLY  47   1.742  -8.635  -3.529
  317   1HA   GLY  47          1HA       GLY  47  -0.808  -9.920  -3.791
  318   2HA   GLY  47          2HA       GLY  47   0.441  -9.898  -5.037
  319    H    ASP  48           H        ASP  48   2.212 -11.136  -2.691
  320    HA   ASP  48           HA       ASP  48   1.661 -13.908  -3.515
  321   1HB   ASP  48          1HB       ASP  48   3.994 -12.654  -3.150
  322   2HB   ASP  48          2HB       ASP  48   3.765 -13.239  -1.501
  323    H    ILE  49           H        ILE  49   1.527 -11.924  -0.554
  324    HA   ILE  49           HA       ILE  49   0.873 -14.140   1.158
  325    HB   ILE  49           HB       ILE  49   0.579 -11.196   1.531
  326   1HG1  ILE  49          1HG1      ILE  49   2.903 -11.812   1.122
  327   2HG1  ILE  49          2HG1      ILE  49   2.685 -11.406   2.825
  328   1HG2  ILE  49          2HG2      ILE  49   0.026 -13.538   3.197
  329   2HG2  ILE  49          1HG2      ILE  49   0.941 -12.249   3.984
  330   3HG2  ILE  49          3HG2      ILE  49  -0.641 -11.906   3.284
  331   1HD1  ILE  49          2HD1      ILE  49   2.110 -14.100   2.797
  332   2HD1  ILE  49          1HD1      ILE  49   3.395 -13.980   1.595
  333   3HD1  ILE  49          3HD1      ILE  49   3.669 -13.404   3.239
  334    H    THR  50           H        THR  50  -0.919 -11.814  -0.749
  335    HA   THR  50           HA       THR  50  -3.466 -12.938   0.344
  336    HB   THR  50           HB       THR  50  -4.495 -10.860   0.033
  337    HG1  THR  50           HG1      THR  50  -4.077 -10.546  -2.091
  338   1HG2  THR  50          3HG2      THR  50  -2.084 -10.790   1.362
  339   2HG2  THR  50          2HG2      THR  50  -1.901  -9.481   0.194
  340   3HG2  THR  50          1HG2      THR  50  -3.253  -9.471   1.325
  341    H    GLY  51           H        GLY  51  -1.547 -12.420  -2.509
  342   1HA   GLY  51          1HA       GLY  51  -1.856 -13.799  -4.486
  343   2HA   GLY  51          2HA       GLY  51  -3.563 -13.911  -4.077
  344    H    ARG  52           H        ARG  52  -2.818 -10.766  -3.515
  345    HA   ARG  52           HA       ARG  52  -4.190  -9.821  -5.870
  346   1HB   ARG  52          1HB       ARG  52  -2.749  -8.429  -3.601
  347   2HB   ARG  52          2HB       ARG  52  -3.527  -7.544  -4.912
  348   1HG   ARG  52          1HG       ARG  52  -5.637  -8.062  -4.187
  349   2HG   ARG  52          2HG       ARG  52  -5.162  -9.668  -3.648
  350   1HD   ARG  52          1HD       ARG  52  -4.979  -8.953  -1.533
  351   2HD   ARG  52          2HD       ARG  52  -3.869  -7.692  -2.036
  352    HE   ARG  52           HE       ARG  52  -5.679  -6.146  -1.942
  353   1HH1  ARG  52          1HH2      ARG  52  -7.271  -8.659  -3.317
  354   2HH1  ARG  52          2HH2      ARG  52  -8.644  -8.654  -2.265
  355   1HH2  ARG  52          2HH1      ARG  52  -7.224  -6.490   0.018
  356   2HH2  ARG  52          1HH1      ARG  52  -8.610  -7.446  -0.375
  357    H    ASP  53           H        ASP  53  -2.820 -10.597  -7.589
  358    HA   ASP  53           HA       ASP  53  -0.045 -10.014  -7.852
  359   1HB   ASP  53          1HB       ASP  53  -2.267 -10.680  -9.756
  360   2HB   ASP  53          2HB       ASP  53  -0.728 -10.125 -10.411
  361    HA   PRO  54           HA       PRO  54  -0.033  -5.744  -8.922
  362   1HB   PRO  54          1HB       PRO  54   1.994  -5.635 -10.776
  363   2HB   PRO  54          2HB       PRO  54   2.264  -5.841  -9.037
  364   1HG   PRO  54          1HG       PRO  54   2.470  -7.863 -11.221
  365   2HG   PRO  54          2HG       PRO  54   3.302  -7.811  -9.658
  366   1HD   PRO  54          1HD       PRO  54   1.076  -9.434 -10.288
  367   2HD   PRO  54          2HD       PRO  54   1.696  -9.104  -8.656
  368    H    LYS  55           H        LYS  55   0.343  -7.719 -11.898
  369    HA   LYS  55           HA       LYS  55  -0.814  -5.737 -13.618
  370   1HB   LYS  55          1HB       LYS  55   0.509  -8.125 -14.004
  371   2HB   LYS  55          2HB       LYS  55  -1.138  -8.521 -14.495
  372   1HG   LYS  55          1HG       LYS  55  -0.441  -5.925 -15.526
  373   2HG   LYS  55          2HG       LYS  55   0.807  -7.086 -15.980
  374   1HD   LYS  55          1HD       LYS  55  -0.953  -8.610 -16.845
  375   2HD   LYS  55          2HD       LYS  55  -2.174  -7.403 -16.442
  376   1HE   LYS  55          1HE       LYS  55  -1.458  -5.927 -18.102
  377   2HE   LYS  55          2HE       LYS  55   0.162  -6.622 -18.161
  378   1HZ   LYS  55          2HZ       LYS  55  -2.006  -8.424 -18.842
  379   2HZ   LYS  55          1HZ       LYS  55  -1.743  -7.157 -19.942
  380   3HZ   LYS  55          3HZ       LYS  55  -0.482  -8.230 -19.569
  381    H    GLN  56           H        GLN  56  -2.182  -8.310 -11.657
  382    HA   GLN  56           HA       GLN  56  -4.794  -8.185 -12.952
  383   1HB   GLN  56          1HB       GLN  56  -3.828 -10.196 -11.698
  384   2HB   GLN  56          2HB       GLN  56  -4.199  -9.319 -10.213
  385   1HG   GLN  56          1HG       GLN  56  -6.565  -9.156 -10.894
  386   2HG   GLN  56          2HG       GLN  56  -6.197 -10.038 -12.377
  387   1HE2  GLN  56          2HE2      GLN  56  -7.036 -12.976 -10.594
  388   2HE2  GLN  56          1HE2      GLN  56  -7.428 -11.943 -11.882
  389    H    VAL  57           H        VAL  57  -3.399  -6.928  -9.920
  390    HA   VAL  57           HA       VAL  57  -5.893  -5.635  -9.147
  391    HB   VAL  57           HB       VAL  57  -4.594  -4.639  -7.346
  392   1HG1  VAL  57          1HG1      VAL  57  -4.343  -7.510  -8.052
  393   2HG1  VAL  57          3HG1      VAL  57  -3.306  -6.937  -6.746
  394   3HG1  VAL  57          2HG1      VAL  57  -5.057  -6.758  -6.626
  395   1HG2  VAL  57          3HG2      VAL  57  -2.326  -5.374  -9.155
  396   2HG2  VAL  57          2HG2      VAL  57  -2.539  -3.939  -8.152
  397   3HG2  VAL  57          1HG2      VAL  57  -2.047  -5.465  -7.416
  398    H    ILE  58           H        ILE  58  -3.734  -4.945 -11.582
  399    HA   ILE  58           HA       ILE  58  -3.542  -2.090 -11.252
  400    HB   ILE  58           HB       ILE  58  -2.778  -4.107 -13.269
  401   1HG1  ILE  58          1HG1      ILE  58  -1.513  -1.432 -12.752
  402   2HG1  ILE  58          2HG1      ILE  58  -1.426  -2.705 -11.535
  403   1HG2  ILE  58          3HG2      ILE  58  -4.229  -2.691 -14.709
  404   2HG2  ILE  58          2HG2      ILE  58  -3.349  -1.260 -14.174
  405   3HG2  ILE  58          1HG2      ILE  58  -2.526  -2.498 -15.122
  406   1HD1  ILE  58          1HD1      ILE  58  -0.812  -3.766 -14.163
  407   2HD1  ILE  58          3HD1      ILE  58   0.246  -2.408 -13.780
  408   3HD1  ILE  58          2HD1      ILE  58   0.168  -3.798 -12.697
  409    H    GLY  59           H        GLY  59  -5.101  -0.664 -11.525
  410   1HA   GLY  59          1HA       GLY  59  -6.953   0.357 -12.685
  411   2HA   GLY  59          2HA       GLY  59  -7.281  -1.192 -13.471
  412    H    LYS  60           H        LYS  60  -6.862  -2.425 -10.642
  413    HA   LYS  60           HA       LYS  60  -9.690  -2.365  -9.928
  414   1HB   LYS  60          1HB       LYS  60  -7.430  -3.611  -8.340
  415   2HB   LYS  60          2HB       LYS  60  -9.135  -4.060  -8.324
  416   1HG   LYS  60          1HG       LYS  60  -7.259  -4.346 -10.692
  417   2HG   LYS  60          2HG       LYS  60  -7.817  -5.662  -9.659
  418   1HD   LYS  60          1HD       LYS  60 -10.195  -4.956 -10.280
  419   2HD   LYS  60          2HD       LYS  60  -9.464  -3.950 -11.532
  420   1HE   LYS  60          1HE       LYS  60  -8.708  -5.776 -12.752
  421   2HE   LYS  60          2HE       LYS  60  -8.642  -6.827 -11.338
  422   1HZ   LYS  60          2HZ       LYS  60 -11.188  -5.789 -12.438
  423   2HZ   LYS  60          1HZ       LYS  60 -10.504  -7.256 -12.949
  424   3HZ   LYS  60          3HZ       LYS  60 -10.967  -7.056 -11.330
  425    H    ASN  61           H        ASN  61 -10.584  -1.267  -8.208
  426    HA   ASN  61           HA       ASN  61  -9.037   0.907  -7.045
  427   1HB   ASN  61          1HB       ASN  61 -11.760   0.377  -7.460
  428   2HB   ASN  61          2HB       ASN  61 -11.564   0.362  -5.709
  429   1HD2  ASN  61          2HD2      ASN  61 -10.404   3.820  -7.627
  430   2HD2  ASN  61          1HD2      ASN  61 -10.072   2.324  -8.356
  431    H    PHE  62           H        PHE  62  -7.494   0.248  -5.609
  432    HA   PHE  62           HA       PHE  62  -7.524  -2.053  -3.968
  433   1HB   PHE  62          1HB       PHE  62  -5.501  -0.771  -4.332
  434   2HB   PHE  62          2HB       PHE  62  -6.196   0.634  -3.529
  435    HD1  PHE  62           HD1      PHE  62  -5.143  -2.895  -3.003
  436    HD2  PHE  62           HD2      PHE  62  -6.121   0.858  -1.165
  437    HE1  PHE  62           HE1      PHE  62  -4.312  -3.748  -0.823
  438    HE2  PHE  62           HE2      PHE  62  -5.282   0.017   1.011
  439    HZ   PHE  62           HZ       PHE  62  -4.383  -2.291   1.184
  440    H    PHE  63           H        PHE  63  -9.237   0.934  -3.586
  441    HA   PHE  63           HA       PHE  63  -9.767   0.328  -0.727
  442   1HB   PHE  63          1HB       PHE  63  -9.925   2.758  -2.436
  443   2HB   PHE  63          2HB       PHE  63 -11.093   2.633  -1.118
  444    HD1  PHE  63           HD2      PHE  63 -10.311   2.356   1.229
  445    HD2  PHE  63           HD1      PHE  63  -7.580   3.100  -1.999
  446    HE1  PHE  63           HE2      PHE  63  -8.556   2.993   2.859
  447    HE2  PHE  63           HE1      PHE  63  -5.823   3.735  -0.367
  448    HZ   PHE  63           HZ       PHE  63  -6.313   3.683   2.063
  449    H    LYS  64           H        LYS  64 -11.251   0.119  -3.832
  450    HA   LYS  64           HA       LYS  64 -13.721  -0.896  -2.546
  451   1HB   LYS  64          1HB       LYS  64 -13.706   1.653  -3.488
  452   2HB   LYS  64          2HB       LYS  64 -14.152   0.781  -4.954
  453   1HG   LYS  64          1HG       LYS  64 -15.933  -0.399  -3.612
  454   2HG   LYS  64          2HG       LYS  64 -15.566   0.695  -2.277
  455   1HD   LYS  64          1HD       LYS  64 -15.836   2.441  -4.387
  456   2HD   LYS  64          2HD       LYS  64 -17.042   1.211  -4.770
  457   1HE   LYS  64          1HE       LYS  64 -16.987   2.029  -1.934
  458   2HE   LYS  64          2HE       LYS  64 -17.472   3.300  -3.057
  459   1HZ   LYS  64          1HZ       LYS  64 -18.642   0.675  -3.494
  460   2HZ   LYS  64          3HZ       LYS  64 -19.156   1.494  -2.100
  461   3HZ   LYS  64          2HZ       LYS  64 -19.344   2.217  -3.627
  462    H    ASP  65           H        ASP  65 -11.738  -2.471  -3.685
  463    HA   ASP  65           HA       ASP  65 -13.207  -3.946  -5.650
  464   1HB   ASP  65          1HB       ASP  65 -11.905  -1.725  -6.728
  465   2HB   ASP  65          2HB       ASP  65 -10.851  -3.085  -7.115
  466    H    VAL  66           H        VAL  66 -10.093  -3.291  -4.079
  467    HA   VAL  66           HA       VAL  66  -9.275  -6.102  -4.669
  468    HB   VAL  66           HB       VAL  66  -7.577  -3.923  -3.436
  469   1HG1  VAL  66          1HG1      VAL  66  -7.153  -6.615  -3.855
  470   2HG1  VAL  66          3HG1      VAL  66  -6.362  -5.875  -5.239
  471   3HG1  VAL  66          2HG1      VAL  66  -5.895  -5.406  -3.609
  472   1HG2  VAL  66          2HG2      VAL  66  -8.478  -3.148  -5.620
  473   2HG2  VAL  66          1HG2      VAL  66  -6.728  -3.370  -5.626
  474   3HG2  VAL  66          3HG2      VAL  66  -7.772  -4.577  -6.375
  475    H    ALA  67           H        ALA  67  -9.058  -3.640  -2.171
  476    HA   ALA  67           HA       ALA  67  -9.405  -5.734  -0.088
  477   1HB   ALA  67          3HB       ALA  67  -7.558  -3.600  -0.500
  478   2HB   ALA  67          2HB       ALA  67  -8.481  -3.268   0.965
  479   3HB   ALA  67          1HB       ALA  67  -7.590  -4.779   0.808
  480    HA   PRO  68           HA       PRO  68 -13.293  -3.389   0.194
  481   1HB   PRO  68          1HB       PRO  68 -14.708  -5.432   1.370
  482   2HB   PRO  68          2HB       PRO  68 -14.487  -5.266  -0.380
  483   1HG   PRO  68          1HG       PRO  68 -13.168  -7.163   1.510
  484   2HG   PRO  68          2HG       PRO  68 -13.502  -7.352  -0.220
  485   1HD   PRO  68          1HD       PRO  68 -10.996  -6.703   0.903
  486   2HD   PRO  68          2HD       PRO  68 -11.445  -6.522  -0.806
  487    H    CYS  69           H        CYS  69 -11.068  -4.362   2.489
  488    HA   CYS  69           HA       CYS  69 -12.785  -3.598   4.787
  489   1HB   CYS  69          1HB       CYS  69 -11.128  -4.568   6.199
  490   2HB   CYS  69          2HB       CYS  69 -11.256  -5.666   4.828
  491    H    THR  70           H        THR  70 -10.241  -2.405   2.750
  492    HA   THR  70           HA       THR  70  -9.304  -0.371   4.600
  493    HB   THR  70           HB       THR  70  -8.198   0.563   2.532
  494    HG1  THR  70           HG1      THR  70  -9.904  -0.351   1.156
  495   1HG2  THR  70          3HG2      THR  70  -7.830  -2.069   3.759
  496   2HG2  THR  70          2HG2      THR  70  -7.137  -1.962   2.141
  497   3HG2  THR  70          1HG2      THR  70  -6.635  -0.824   3.392
  498    H    ASP  71           H        ASP  71 -12.210  -0.671   2.994
  499    HA   ASP  71           HA       ASP  71 -12.481   2.189   2.326
  500   1HB   ASP  71          1HB       ASP  71 -14.842   1.494   1.731
  501   2HB   ASP  71          2HB       ASP  71 -13.584   0.660   0.819
  502    H    SER  72           H        SER  72 -11.886   2.198   4.892
  503    HA   SER  72           HA       SER  72 -14.499   2.624   6.277
  504   1HB   SER  72          1HB       SER  72 -12.204   1.963   8.005
  505   2HB   SER  72          2HB       SER  72 -13.865   1.378   8.072
  506    HG   SER  72           HG       SER  72 -13.279   0.105   6.164
  507    HA   PRO  73           HA       PRO  73 -12.873   6.542   7.463
  508   1HB   PRO  73          1HB       PRO  73 -13.478   6.762  10.135
  509   2HB   PRO  73          2HB       PRO  73 -14.681   6.876   8.838
  510   1HG   PRO  73          1HG       PRO  73 -14.178   4.637  10.740
  511   2HG   PRO  73          2HG       PRO  73 -15.668   5.072   9.887
  512   1HD   PRO  73          1HD       PRO  73 -13.894   2.982   9.178
  513   2HD   PRO  73          2HD       PRO  73 -15.208   3.627   8.171
  514    H    GLU  74           H        GLU  74 -11.292   3.831   8.594
  515    HA   GLU  74           HA       GLU  74  -9.294   5.448  10.082
  516   1HB   GLU  74          1HB       GLU  74  -9.499   2.443  10.092
  517   2HB   GLU  74          2HB       GLU  74  -8.628   3.476  11.227
  518   1HG   GLU  74          1HG       GLU  74 -11.274   4.403  11.296
  519   2HG   GLU  74          2HG       GLU  74 -11.411   2.644  11.280
  520    H    PHE  75           H        PHE  75  -9.829   3.289   7.409
  521    HA   PHE  75           HA       PHE  75  -6.933   3.376   6.683
  522   1HB   PHE  75          1HB       PHE  75  -8.621   1.257   6.626
  523   2HB   PHE  75          2HB       PHE  75  -8.913   1.895   5.009
  524    HD1  PHE  75           HD1      PHE  75  -6.817   2.458   3.577
  525    HD2  PHE  75           HD2      PHE  75  -6.734  -0.075   7.039
  526    HE1  PHE  75           HE1      PHE  75  -4.692   1.458   2.788
  527    HE2  PHE  75           HE2      PHE  75  -4.604  -1.075   6.257
  528    HZ   PHE  75           HZ       PHE  75  -3.582  -0.310   4.130
  529    H    TYR  76           H        TYR  76 -10.016   3.479   4.854
  530    HA   TYR  76           HA       TYR  76  -8.907   5.326   2.906
  531   1HB   TYR  76          1HB       TYR  76 -10.848   3.689   2.512
  532   2HB   TYR  76          2HB       TYR  76 -11.853   4.831   3.400
  533    HD1  TYR  76           HD2      TYR  76  -9.150   5.080   0.798
  534    HD2  TYR  76           HD1      TYR  76 -13.099   6.231   2.029
  535    HE1  TYR  76           HE2      TYR  76  -9.382   6.463  -1.246
  536    HE2  TYR  76           HE1      TYR  76 -13.332   7.616  -0.015
  537    HH   TYR  76           HH       TYR  76 -11.293   8.807  -1.667
  538    H    GLY  77           H        GLY  77 -10.235   5.625   6.054
  539   1HA   GLY  77          1HA       GLY  77 -11.428   8.216   5.897
  540   2HA   GLY  77          2HA       GLY  77 -10.767   7.489   7.355
  541    H    LYS  78           H        LYS  78  -8.221   7.310   7.172
  542    HA   LYS  78           HA       LYS  78  -7.238   9.999   7.195
  543   1HB   LYS  78          1HB       LYS  78  -5.432   7.615   6.838
  544   2HB   LYS  78          2HB       LYS  78  -5.143   9.089   7.759
  545   1HG   LYS  78          1HG       LYS  78  -6.813   6.699   8.485
  546   2HG   LYS  78          2HG       LYS  78  -5.623   7.553   9.460
  547   1HD   LYS  78          1HD       LYS  78  -7.452   9.534   9.071
  548   2HD   LYS  78          2HD       LYS  78  -8.508   8.123   9.054
  549   1HE   LYS  78          1HE       LYS  78  -7.500   7.381  11.216
  550   2HE   LYS  78          2HE       LYS  78  -6.538   8.858  11.246
  551   1HZ   LYS  78          2HZ       LYS  78  -8.770  10.036  10.989
  552   2HZ   LYS  78          1HZ       LYS  78  -9.467   8.561  11.467
  553   3HZ   LYS  78          3HZ       LYS  78  -8.400   9.371  12.509
  554    H    PHE  79           H        PHE  79  -7.756   7.811   4.626
  555    HA   PHE  79           HA       PHE  79  -5.801   8.955   2.826
  556   1HB   PHE  79          1HB       PHE  79  -6.538   6.667   2.501
  557   2HB   PHE  79          2HB       PHE  79  -8.215   7.192   2.421
  558    HD1  PHE  79           HD1      PHE  79  -8.892   8.783   0.510
  559    HD2  PHE  79           HD2      PHE  79  -5.204   6.567   0.529
  560    HE1  PHE  79           HE1      PHE  79  -8.703   9.057  -1.953
  561    HE2  PHE  79           HE2      PHE  79  -5.045   6.827  -1.915
  562    HZ   PHE  79           HZ       PHE  79  -6.773   8.074  -3.160
  563    H    LYS  80           H        LYS  80  -9.232   9.367   3.506
  564    HA   LYS  80           HA       LYS  80  -9.606  11.279   1.387
  565   1HB   LYS  80          1HB       LYS  80 -11.251   9.966   3.423
  566   2HB   LYS  80          2HB       LYS  80 -11.685  11.656   3.161
  567   1HG   LYS  80          1HG       LYS  80 -11.776  11.197   0.699
  568   2HG   LYS  80          2HG       LYS  80 -11.501   9.489   1.049
  569   1HD   LYS  80          1HD       LYS  80 -13.657   9.176   1.628
  570   2HD   LYS  80          2HD       LYS  80 -13.637  10.576   2.698
  571   1HE   LYS  80          1HE       LYS  80 -13.739  11.967   0.495
  572   2HE   LYS  80          2HE       LYS  80 -14.290  10.459  -0.238
  573   1HZ   LYS  80          3HZ       LYS  80 -15.532  11.481   2.234
  574   2HZ   LYS  80          2HZ       LYS  80 -16.030  12.053   0.716
  575   3HZ   LYS  80          1HZ       LYS  80 -16.169  10.403   1.091
  576    H    GLU  81           H        GLU  81  -8.107  11.326   4.376
  577    HA   GLU  81           HA       GLU  81  -8.782  14.173   4.937
  578   1HB   GLU  81          1HB       GLU  81  -6.939  12.335   6.497
  579   2HB   GLU  81          2HB       GLU  81  -7.650  13.853   7.047
  580   1HG   GLU  81          1HG       GLU  81  -9.635  11.890   6.117
  581   2HG   GLU  81          2HG       GLU  81  -8.713  11.357   7.523
  582    H    GLY  82           H        GLY  82  -6.110  12.045   4.133
  583   1HA   GLY  82          1HA       GLY  82  -4.093  14.116   4.007
  584   2HA   GLY  82          2HA       GLY  82  -3.954  12.499   3.307
  585    H    VAL  83           H        VAL  83  -6.250  12.554   1.687
  586    HA   VAL  83           HA       VAL  83  -5.257  13.854  -0.674
  587    HB   VAL  83           HB       VAL  83  -8.068  12.876  -0.073
  588   1HG1  VAL  83          1HG1      VAL  83  -7.122  14.360  -2.237
  589   2HG1  VAL  83          3HG1      VAL  83  -7.112  12.695  -2.819
  590   3HG1  VAL  83          2HG1      VAL  83  -8.602  13.404  -2.197
  591   1HG2  VAL  83          1HG2      VAL  83  -5.766  11.377  -0.095
  592   2HG2  VAL  83          3HG2      VAL  83  -7.369  10.757  -0.488
  593   3HG2  VAL  83          2HG2      VAL  83  -6.286  11.269  -1.777
  594    H    ALA  84           H        ALA  84  -7.770  14.751   1.681
  595    HA   ALA  84           HA       ALA  84  -8.393  17.214   0.195
  596   1HB   ALA  84          3HB       ALA  84  -9.390  16.200   2.871
  597   2HB   ALA  84          2HB       ALA  84 -10.032  17.594   2.003
  598   3HB   ALA  84          1HB       ALA  84 -10.196  15.977   1.318
  599    H    SER  85           H        SER  85  -6.056  16.313   2.489
  600    HA   SER  85           HA       SER  85  -5.929  19.070   3.609
  601   1HB   SER  85          1HB       SER  85  -5.778  17.518   5.372
  602   2HB   SER  85          2HB       SER  85  -4.758  16.422   4.442
  603    HG   SER  85           HG       SER  85  -3.815  17.951   6.138
  604    H    GLY  86           H        GLY  86  -4.414  17.028   1.287
  605   1HA   GLY  86          1HA       GLY  86  -2.723  17.619  -0.259
  606   2HA   GLY  86          2HA       GLY  86  -2.531  19.155   0.594
  607    H    ASN  87           H        ASN  87  -2.473  16.229   2.458
  608    HA   ASN  87           HA       ASN  87   0.412  15.852   2.339
  609   1HB   ASN  87          1HB       ASN  87   0.150  17.954   3.721
  610   2HB   ASN  87          2HB       ASN  87  -0.743  16.991   4.900
  611   1HD2  ASN  87          2HD2      ASN  87   2.173  15.666   6.348
  612   2HD2  ASN  87          1HD2      ASN  87   0.495  15.904   6.448
  613    H    LEU  88           H        LEU  88  -0.839  13.767   1.870
  614    HA   LEU  88           HA       LEU  88  -2.189  12.441   4.064
  615   1HB   LEU  88          1HB       LEU  88  -2.270  12.014   1.450
  616   2HB   LEU  88          2HB       LEU  88  -0.949  10.904   1.817
  617    HG   LEU  88           HG       LEU  88  -3.086  10.632   3.758
  618   1HD1  LEU  88          3HD1      LEU  88  -3.934  11.108   1.057
  619   2HD1  LEU  88          2HD1      LEU  88  -4.227   9.415   1.451
  620   3HD1  LEU  88          1HD1      LEU  88  -4.921  10.687   2.457
  621   1HD2  LEU  88          2HD2      LEU  88  -1.778   8.809   1.716
  622   2HD2  LEU  88          1HD2      LEU  88  -1.383   8.942   3.430
  623   3HD2  LEU  88          3HD2      LEU  88  -2.926   8.250   2.931
  624    H    ASN  89           H        ASN  89  -1.182  11.659   5.818
  625    HA   ASN  89           HA       ASN  89   1.238  10.041   5.559
  626   1HB   ASN  89          1HB       ASN  89   2.101  12.411   5.615
  627   2HB   ASN  89          2HB       ASN  89   1.368  12.583   7.210
  628   1HD2  ASN  89          2HD2      ASN  89   4.190  11.185   8.754
  629   2HD2  ASN  89          1HD2      ASN  89   2.912  12.301   8.812
  630    H    THR  90           H        THR  90  -0.235   8.483   6.531
  631    HA   THR  90           HA       THR  90  -0.508   8.914   9.469
  632    HB   THR  90           HB       THR  90  -2.708   9.397   8.577
  633    HG1  THR  90           HG1      THR  90  -2.786   6.702   9.410
  634   1HG2  THR  90          3HG2      THR  90  -1.956   7.562   6.579
  635   2HG2  THR  90          2HG2      THR  90  -3.332   6.829   7.402
  636   3HG2  THR  90          1HG2      THR  90  -3.481   8.437   6.695
  637    H    MET  91           H        MET  91  -0.804   6.853  10.644
  638    HA   MET  91           HA       MET  91  -0.108   4.389   9.166
  639   1HB   MET  91          1HB       MET  91   1.818   3.912  10.626
  640   2HB   MET  91          2HB       MET  91   2.082   5.406   9.727
  641   1HG   MET  91          2HG       MET  91   1.221   6.678  11.715
  642   2HG   MET  91          1HG       MET  91   1.171   5.157  12.607
  643   1HE   MET  91          2HE       MET  91   2.738   8.128  11.828
  644   2HE   MET  91          1HE       MET  91   3.098   7.818  13.524
  645   3HE   MET  91          3HE       MET  91   4.415   8.033  12.363
  646    H    PHE  92           H        PHE  92  -0.810   2.554  10.261
  647    HA   PHE  92           HA       PHE  92  -1.696   2.735  13.050
  648   1HB   PHE  92          1HB       PHE  92  -4.032   1.910  12.369
  649   2HB   PHE  92          2HB       PHE  92  -3.689   3.621  12.120
  650    HD1  PHE  92           HD2      PHE  92  -3.203   4.486   9.846
  651    HD2  PHE  92           HD1      PHE  92  -4.348   0.401  10.494
  652    HE1  PHE  92           HE2      PHE  92  -3.729   4.248   7.433
  653    HE2  PHE  92           HE1      PHE  92  -4.874   0.165   8.087
  654    HZ   PHE  92           HZ       PHE  92  -4.568   2.084   6.555
  655    H    GLU  93           H        GLU  93  -3.111   0.508  13.358
  656    HA   GLU  93           HA       GLU  93  -1.383  -1.628  12.171
  657   1HB   GLU  93          1HB       GLU  93  -2.241  -1.080  14.910
  658   2HB   GLU  93          2HB       GLU  93  -2.683  -2.711  14.402
  659   1HG   GLU  93          1HG       GLU  93  -0.547  -3.270  14.904
  660   2HG   GLU  93          2HG       GLU  93  -0.115  -2.437  13.410
  661    H    TYR  94           H        TYR  94  -2.513  -2.676  10.597
  662    HA   TYR  94           HA       TYR  94  -5.462  -2.944  11.008
  663   1HB   TYR  94          1HB       TYR  94  -4.131  -1.744   8.920
  664   2HB   TYR  94          2HB       TYR  94  -4.445  -3.362   8.286
  665    HD1  TYR  94           HD1      TYR  94  -6.118  -0.525  10.066
  666    HD2  TYR  94           HD2      TYR  94  -6.571  -3.901   7.449
  667    HE1  TYR  94           HE1      TYR  94  -8.491   0.086   9.686
  668    HE2  TYR  94           HE2      TYR  94  -8.943  -3.288   7.073
  669    HH   TYR  94           HH       TYR  94 -10.732  -1.755   8.727
  670    H    THR  95           H        THR  95  -6.196  -4.839   9.370
  671    HA   THR  95           HA       THR  95  -4.417  -7.173   9.477
  672    HB   THR  95           HB       THR  95  -6.995  -7.025  11.074
  673    HG1  THR  95           HG1      THR  95  -5.632  -6.718  12.617
  674   1HG2  THR  95          2HG2      THR  95  -5.629  -9.291   9.800
  675   2HG2  THR  95          1HG2      THR  95  -5.877  -9.509  11.533
  676   3HG2  THR  95          3HG2      THR  95  -7.255  -9.195  10.478
  677    H    PHE  96           H        PHE  96  -4.658  -7.771   7.376
  678    HA   PHE  96           HA       PHE  96  -7.237  -7.409   6.011
  679   1HB   PHE  96          1HB       PHE  96  -4.737  -8.742   4.944
  680   2HB   PHE  96          2HB       PHE  96  -6.080  -8.088   4.012
  681    HD1  PHE  96           HD1      PHE  96  -6.330  -5.578   5.974
  682    HD2  PHE  96           HD2      PHE  96  -3.116  -7.355   3.743
  683    HE1  PHE  96           HE1      PHE  96  -5.181  -3.385   5.882
  684    HE2  PHE  96           HE2      PHE  96  -1.971  -5.165   3.652
  685    HZ   PHE  96           HZ       PHE  96  -3.003  -3.176   4.722
  686    H    ASP  97           H        ASP  97  -8.749  -8.974   5.882
  687    HA   ASP  97           HA       ASP  97  -7.957 -11.804   5.842
  688   1HB   ASP  97          1HB       ASP  97  -8.131 -11.181   8.279
  689   2HB   ASP  97          2HB       ASP  97  -9.828 -10.792   8.002
  690    H    TYR  98           H        TYR  98  -9.087 -10.467   3.763
  691    HA   TYR  98           HA       TYR  98 -12.003 -10.705   3.858
  692   1HB   TYR  98          1HB       TYR  98 -11.930 -10.109   1.477
  693   2HB   TYR  98          2HB       TYR  98 -10.862  -9.034   2.369
  694    HD1  TYR  98           HD1      TYR  98 -10.814 -12.268   0.470
  695    HD2  TYR  98           HD2      TYR  98  -8.639  -8.760   1.651
  696    HE1  TYR  98           HE1      TYR  98  -8.925 -12.968  -0.958
  697    HE2  TYR  98           HE2      TYR  98  -6.743  -9.455   0.198
  698    HH   TYR  98           HH       TYR  98  -6.323 -10.863  -1.724
  699    H    GLN  99           H        GLN  99 -13.166 -12.505   3.221
  700    HA   GLN  99           HA       GLN  99 -13.099 -14.986   3.388
  701   1HB   GLN  99          1HB       GLN  99 -13.631 -15.611   1.038
  702   2HB   GLN  99          2HB       GLN  99 -14.488 -14.165   1.573
  703   1HG   GLN  99          1HG       GLN  99 -13.165 -12.740   0.279
  704   2HG   GLN  99          2HG       GLN  99 -11.834 -13.890   0.191
  705   1HE2  GLN  99          2HE2      GLN  99 -13.072 -15.503  -2.699
  706   2HE2  GLN  99          1HE2      GLN  99 -11.853 -15.437  -1.519
  707    H    MET 100           H        MET 100 -10.638 -14.927   4.120
  708    HA   MET 100           HA       MET 100  -9.249 -16.956   2.618
  709   1HB   MET 100          1HB       MET 100  -8.973 -14.515   1.420
  710   2HB   MET 100          2HB       MET 100  -7.636 -14.456   2.575
  711   1HG   MET 100          2HG       MET 100  -7.489 -17.032   1.509
  712   2HG   MET 100          1HG       MET 100  -7.892 -16.019   0.123
  713   1HE   MET 100          3HE       MET 100  -7.174 -13.592   0.458
  714   2HE   MET 100          2HE       MET 100  -5.881 -13.092   1.546
  715   3HE   MET 100          1HE       MET 100  -5.529 -13.378  -0.156
  716    H    THR 101           H        THR 101  -6.585 -16.079   3.436
  717    HA   THR 101           HA       THR 101  -6.769 -16.769   6.282
  718    HB   THR 101           HB       THR 101  -4.138 -16.331   5.927
  719    HG1  THR 101           HG1      THR 101  -4.949 -17.156   3.360
  720   1HG2  THR 101          2HG2      THR 101  -5.411 -18.481   6.448
  721   2HG2  THR 101          1HG2      THR 101  -5.471 -18.754   4.707
  722   3HG2  THR 101          3HG2      THR 101  -3.915 -18.673   5.534
  723    HA   PRO 102           HA       PRO 102  -6.339 -12.650   7.789
  724   1HB   PRO 102          1HB       PRO 102  -4.964 -13.111  10.126
  725   2HB   PRO 102          2HB       PRO 102  -6.680 -13.492   9.910
  726   1HG   PRO 102          1HG       PRO 102  -4.346 -15.340  10.001
  727   2HG   PRO 102          2HG       PRO 102  -6.044 -15.657  10.395
  728   1HD   PRO 102          1HD       PRO 102  -4.725 -16.393   7.997
  729   2HD   PRO 102          2HD       PRO 102  -6.478 -16.428   8.282
  730    H    THR 103           H        THR 103  -4.750 -10.922   8.150
  731    HA   THR 103           HA       THR 103  -1.902 -11.604   7.800
  732    HB   THR 103           HB       THR 103  -3.518 -10.063   5.757
  733    HG1  THR 103           HG1      THR 103  -3.086 -11.753   4.616
  734   1HG2  THR 103          1HG2      THR 103  -0.701  -9.670   6.592
  735   2HG2  THR 103          3HG2      THR 103  -0.946  -9.858   4.856
  736   3HG2  THR 103          2HG2      THR 103  -1.781  -8.575   5.730
  737    H    LYS 104           H        LYS 104  -1.778 -10.644   9.943
  738    HA   LYS 104           HA       LYS 104  -2.630  -7.910  10.415
  739   1HB   LYS 104          1HB       LYS 104  -1.920  -9.857  12.105
  740   2HB   LYS 104          2HB       LYS 104  -0.327  -9.128  11.907
  741   1HG   LYS 104          1HG       LYS 104  -1.210  -6.943  12.579
  742   2HG   LYS 104          2HG       LYS 104  -2.830  -7.625  12.727
  743   1HD   LYS 104          1HD       LYS 104  -0.702  -9.038  14.234
  744   2HD   LYS 104          2HD       LYS 104  -1.105  -7.421  14.815
  745   1HE   LYS 104          1HE       LYS 104  -3.331  -8.000  15.273
  746   2HE   LYS 104          2HE       LYS 104  -3.295  -9.387  14.185
  747   1HZ   LYS 104          2HZ       LYS 104  -1.359  -9.985  15.963
  748   2HZ   LYS 104          1HZ       LYS 104  -2.494  -9.193  16.946
  749   3HZ   LYS 104          3HZ       LYS 104  -2.957 -10.553  16.044
  750    H    VAL 105           H        VAL 105  -1.386  -6.021  10.037
  751    HA   VAL 105           HA       VAL 105   1.455  -6.357   9.215
  752    HB   VAL 105           HB       VAL 105   1.103  -5.202   7.080
  753   1HG1  VAL 105          2HG1      VAL 105   0.650  -7.728   7.329
  754   2HG1  VAL 105          1HG1      VAL 105  -1.059  -7.310   7.258
  755   3HG1  VAL 105          3HG1      VAL 105  -0.006  -6.948   5.893
  756   1HG2  VAL 105          2HG2      VAL 105  -1.558  -4.661   8.273
  757   2HG2  VAL 105          1HG2      VAL 105  -0.630  -3.710   7.116
  758   3HG2  VAL 105          3HG2      VAL 105  -1.588  -5.082   6.561
  759    H    LYS 106           H        LYS 106   2.655  -4.390   9.409
  760    HA   LYS 106           HA       LYS 106   1.420  -2.194  10.954
  761   1HB   LYS 106          1HB       LYS 106   4.185  -2.513   9.698
  762   2HB   LYS 106          2HB       LYS 106   3.684  -1.101  10.617
  763   1HG   LYS 106          1HG       LYS 106   4.975  -2.606  12.030
  764   2HG   LYS 106          2HG       LYS 106   3.303  -2.545  12.587
  765   1HD   LYS 106          1HD       LYS 106   2.801  -4.660  11.643
  766   2HD   LYS 106          2HD       LYS 106   4.270  -4.664  10.666
  767   1HE   LYS 106          1HE       LYS 106   4.545  -6.145  12.607
  768   2HE   LYS 106          2HE       LYS 106   5.625  -4.759  12.743
  769   1HZ   LYS 106          2HZ       LYS 106   2.937  -4.818  13.984
  770   2HZ   LYS 106          1HZ       LYS 106   4.332  -5.344  14.797
  771   3HZ   LYS 106          3HZ       LYS 106   4.205  -3.731  14.290
  772    H    VAL 107           H        VAL 107   0.260  -0.641   9.698
  773    HA   VAL 107           HA       VAL 107   0.936  -0.655   6.791
  774    HB   VAL 107           HB       VAL 107  -1.270   0.474   6.529
  775   1HG1  VAL 107          2HG1      VAL 107  -1.139  -2.085   8.104
  776   2HG1  VAL 107          1HG1      VAL 107  -2.668  -1.428   7.517
  777   3HG1  VAL 107          3HG1      VAL 107  -1.406  -1.877   6.372
  778   1HG2  VAL 107          2HG2      VAL 107  -0.844   0.962   9.291
  779   2HG2  VAL 107          1HG2      VAL 107  -2.150   1.549   8.280
  780   3HG2  VAL 107          3HG2      VAL 107  -2.317   0.016   9.132
  781    H    HIS 108           H        HIS 108   1.257   1.322   5.675
  782    HA   HIS 108           HA       HIS 108   1.360   3.822   7.257
  783   1HB   HIS 108          1HB       HIS 108   3.670   2.490   7.263
  784   2HB   HIS 108          2HB       HIS 108   3.826   3.233   5.669
  785    HD1  HIS 108           HD1      HIS 108   5.396   4.026   8.428
  786    HD2  HIS 108           HD2      HIS 108   2.287   6.118   6.602
  787    HE1  HIS 108           HE1      HIS 108   5.589   6.425   9.215
  788    H    MET 109           H        MET 109   0.018   4.981   5.932
  789    HA   MET 109           HA       MET 109   0.482   4.754   2.989
  790   1HB   MET 109          1HB       MET 109  -1.932   6.090   4.175
  791   2HB   MET 109          2HB       MET 109  -1.785   5.219   2.652
  792   1HG   MET 109          2HG       MET 109  -1.578   3.081   3.897
  793   2HG   MET 109          1HG       MET 109  -1.729   3.956   5.421
  794   1HE   MET 109          2HE       MET 109  -3.490   5.514   5.962
  795   2HE   MET 109          1HE       MET 109  -4.057   6.251   4.465
  796   3HE   MET 109          3HE       MET 109  -5.186   5.376   5.509
  797    H    LYS 110           H        LYS 110   1.170   6.620   1.792
  798    HA   LYS 110           HA       LYS 110   0.947   9.218   3.311
  799   1HB   LYS 110          1HB       LYS 110   3.321   7.874   3.083
  800   2HB   LYS 110          2HB       LYS 110   3.386   8.927   1.673
  801   1HG   LYS 110          1HG       LYS 110   2.885  10.871   3.157
  802   2HG   LYS 110          2HG       LYS 110   2.927   9.788   4.546
  803   1HD   LYS 110          1HD       LYS 110   5.172   9.904   4.622
  804   2HD   LYS 110          2HD       LYS 110   5.289   9.401   2.936
  805   1HE   LYS 110          1HE       LYS 110   6.287  11.668   3.395
  806   2HE   LYS 110          2HE       LYS 110   5.023  11.677   2.166
  807   1HZ   LYS 110          2HZ       LYS 110   4.073  12.042   4.869
  808   2HZ   LYS 110          1HZ       LYS 110   5.079  13.290   4.312
  809   3HZ   LYS 110          3HZ       LYS 110   3.674  12.889   3.452
  810    H    LYS 111           H        LYS 111   2.040  10.924   1.468
  811    HA   LYS 111           HA       LYS 111   0.206  10.563  -0.853
  812   1HB   LYS 111          1HB       LYS 111   0.675  13.074  -1.156
  813   2HB   LYS 111          2HB       LYS 111  -0.296  12.615   0.243
  814   1HG   LYS 111          1HG       LYS 111   1.343  13.180   1.738
  815   2HG   LYS 111          2HG       LYS 111   2.644  12.677   0.658
  816   1HD   LYS 111          1HD       LYS 111   0.979  15.098   0.002
  817   2HD   LYS 111          2HD       LYS 111   2.332  15.224   1.128
  818   1HE   LYS 111          1HE       LYS 111   3.744  14.073  -0.669
  819   2HE   LYS 111          2HE       LYS 111   2.402  14.373  -1.773
  820   1HZ   LYS 111          2HZ       LYS 111   3.344  16.617  -0.160
  821   2HZ   LYS 111          1HZ       LYS 111   4.347  16.103  -1.431
  822   3HZ   LYS 111          3HZ       LYS 111   2.756  16.595  -1.754
  823    H    ALA 112           H        ALA 112   1.419   9.443  -2.321
  824    HA   ALA 112           HA       ALA 112   4.156   9.437  -2.754
  825   1HB   ALA 112          2HB       ALA 112   1.938   8.407  -4.036
  826   2HB   ALA 112          1HB       ALA 112   2.657   9.445  -5.268
  827   3HB   ALA 112          3HB       ALA 112   3.613   8.159  -4.528
  828    H    LEU 113           H        LEU 113   5.622  10.673  -3.940
  829    HA   LEU 113           HA       LEU 113   4.942  13.492  -4.266
  830   1HB   LEU 113          1HB       LEU 113   7.165  12.637  -3.426
  831   2HB   LEU 113          2HB       LEU 113   7.493  12.050  -5.050
  832    HG   LEU 113           HG       LEU 113   8.460  14.351  -4.398
  833   1HD1  LEU 113          1HD1      LEU 113   7.497  13.298  -6.822
  834   2HD1  LEU 113          3HD1      LEU 113   6.990  14.987  -6.801
  835   3HD1  LEU 113          2HD1      LEU 113   8.695  14.576  -6.616
  836   1HD2  LEU 113          3HD2      LEU 113   6.339  15.195  -3.363
  837   2HD2  LEU 113          2HD2      LEU 113   6.969  16.263  -4.616
  838   3HD2  LEU 113          1HD2      LEU 113   5.604  15.203  -4.966
  839    H    SER 114           H        SER 114   4.989  10.704  -6.304
  840    HA   SER 114           HA       SER 114   5.598  11.594  -8.850
  841   1HB   SER 114          1HB       SER 114   3.318   9.847  -7.918
  842   2HB   SER 114          2HB       SER 114   3.665  10.111  -9.624
  843    HG   SER 114           HG       SER 114   4.765   8.287  -8.910
  844    H    GLY 115           H        GLY 115   2.855  12.580  -6.898
  845   1HA   GLY 115          1HA       GLY 115   2.328  14.985  -8.139
  846   2HA   GLY 115          2HA       GLY 115   1.419  13.825  -9.108
  847    H    ASP 116           H        ASP 116   2.001  14.351  -5.606
  848    HA   ASP 116           HA       ASP 116   0.479  14.341  -3.819
  849   1HB   ASP 116          1HB       ASP 116  -0.833  15.725  -6.046
  850   2HB   ASP 116          2HB       ASP 116  -1.980  14.991  -4.924
  851    H    SER 117           H        SER 117   0.895  11.901  -5.403
  852    HA   SER 117           HA       SER 117  -1.653  10.581  -5.769
  853   1HB   SER 117          1HB       SER 117   1.071  10.008  -6.312
  854   2HB   SER 117          2HB       SER 117   0.476   8.707  -5.283
  855    HG   SER 117           HG       SER 117   0.085   8.959  -7.828
  856    H    TYR 118           H        TYR 118  -1.192   8.114  -4.451
  857    HA   TYR 118           HA       TYR 118  -0.995   8.696  -1.556
  858   1HB   TYR 118          1HB       TYR 118  -3.488   7.385  -2.647
  859   2HB   TYR 118          2HB       TYR 118  -3.242   8.029  -1.022
  860    HD1  TYR 118           HD2      TYR 118  -2.954  10.550  -0.770
  861    HD2  TYR 118           HD1      TYR 118  -4.315   8.673  -4.376
  862    HE1  TYR 118           HE2      TYR 118  -3.871  12.708  -1.548
  863    HE2  TYR 118           HE1      TYR 118  -5.229  10.816  -5.157
  864    HH   TYR 118           HH       TYR 118  -4.392  13.721  -3.979
  865    H    TRP 119           H        TRP 119   0.330   6.994  -0.895
  866    HA   TRP 119           HA       TRP 119  -0.253   4.365  -2.114
  867   1HB   TRP 119          1HB       TRP 119   2.167   3.826  -1.800
  868   2HB   TRP 119          2HB       TRP 119   1.791   4.991  -3.057
  869    HD1  TRP 119           HD1      TRP 119   3.015   7.210  -2.915
  870    HE1  TRP 119           HE1      TRP 119   4.594   8.329  -1.209
  871    HE3  TRP 119           HE3      TRP 119   2.414   4.016   0.816
  872    HZ2  TRP 119           HZ2      TRP 119   5.495   7.835   1.492
  873    HZ3  TRP 119           HZ3      TRP 119   3.626   4.271   2.995
  874    HH2  TRP 119           HH2      TRP 119   5.164   6.186   3.324
  875    H    VAL 120           H        VAL 120  -0.073   2.513  -0.907
  876    HA   VAL 120           HA       VAL 120   0.025   2.953   2.043
  877    HB   VAL 120           HB       VAL 120  -1.737   1.006   0.513
  878   1HG1  VAL 120          2HG1      VAL 120  -0.931   1.267   3.309
  879   2HG1  VAL 120          1HG1      VAL 120  -2.682   1.321   3.107
  880   3HG1  VAL 120          3HG1      VAL 120  -1.766  -0.060   2.502
  881   1HG2  VAL 120          3HG2      VAL 120  -2.412   3.398   0.276
  882   2HG2  VAL 120          2HG2      VAL 120  -3.586   2.456   1.193
  883   3HG2  VAL 120          1HG2      VAL 120  -2.469   3.528   2.032
  884    H    PHE 121           H        PHE 121   1.954   2.038   2.631
  885    HA   PHE 121           HA       PHE 121   2.900  -0.401   1.276
  886   1HB   PHE 121          1HB       PHE 121   4.224   1.158   3.512
  887   2HB   PHE 121          2HB       PHE 121   4.969  -0.071   2.505
  888    HD1  PHE 121           HD1      PHE 121   3.195   1.149   0.032
  889    HD2  PHE 121           HD2      PHE 121   6.139   2.630   2.779
  890    HE1  PHE 121           HE1      PHE 121   3.847   2.888  -1.612
  891    HE2  PHE 121           HE2      PHE 121   6.759   4.395   1.149
  892    HZ   PHE 121           HZ       PHE 121   5.623   4.507  -1.047
  893    H    VAL 122           H        VAL 122   2.321  -2.373   2.115
  894    HA   VAL 122           HA       VAL 122   1.486  -2.370   4.952
  895    HB   VAL 122           HB       VAL 122   0.618  -3.828   2.532
  896   1HG1  VAL 122          3HG1      VAL 122   0.717  -5.290   5.195
  897   2HG1  VAL 122          2HG1      VAL 122  -0.136  -5.839   3.754
  898   3HG1  VAL 122          1HG1      VAL 122   1.625  -5.741   3.752
  899   1HG2  VAL 122          1HG2      VAL 122  -0.470  -2.180   4.398
  900   2HG2  VAL 122          3HG2      VAL 122  -1.415  -3.267   3.382
  901   3HG2  VAL 122          2HG2      VAL 122  -0.975  -3.752   5.020
  902    H    LYS 123           H        LYS 123   2.829  -3.036   6.365
  903    HA   LYS 123           HA       LYS 123   5.178  -4.689   5.704
  904   1HB   LYS 123          1HB       LYS 123   4.789  -2.599   7.427
  905   2HB   LYS 123          2HB       LYS 123   4.578  -3.964   8.510
  906   1HG   LYS 123          1HG       LYS 123   6.941  -3.036   8.340
  907   2HG   LYS 123          2HG       LYS 123   6.779  -4.770   8.092
  908   1HD   LYS 123          1HD       LYS 123   7.177  -4.611   5.803
  909   2HD   LYS 123          2HD       LYS 123   6.695  -2.916   5.728
  910   1HE   LYS 123          1HE       LYS 123   9.197  -3.364   5.531
  911   2HE   LYS 123          2HE       LYS 123   8.733  -2.215   6.782
  912   1HZ   LYS 123          3HZ       LYS 123   8.926  -5.065   7.457
  913   2HZ   LYS 123          2HZ       LYS 123  10.352  -4.150   7.326
  914   3HZ   LYS 123          1HZ       LYS 123   9.156  -3.708   8.448
  915    H    ARG 124           H        ARG 124   4.826  -6.908   5.692
  916    HA   ARG 124           HA       ARG 124   2.533  -7.987   7.127
  917   1HB   ARG 124          1HB       ARG 124   3.212  -9.125   5.096
  918   2HB   ARG 124          2HB       ARG 124   4.854  -9.343   5.702
  919   1HG   ARG 124          1HG       ARG 124   4.275 -11.232   6.792
  920   2HG   ARG 124          2HG       ARG 124   2.910 -10.430   7.567
  921   1HD   ARG 124          1HD       ARG 124   1.816 -10.660   5.172
  922   2HD   ARG 124          2HD       ARG 124   2.995 -11.959   4.990
  923    HE   ARG 124           HE       ARG 124   0.590 -12.213   6.439
  924   1HH1  ARG 124          2HH1      ARG 124   1.380 -12.282   8.980
  925   2HH1  ARG 124          1HH1      ARG 124   2.342 -13.699   9.235
  926   1HH2  ARG 124          1HH2      ARG 124   2.955 -14.210   5.858
  927   2HH2  ARG 124          2HH2      ARG 124   3.234 -14.792   7.465
  928    H    VAL 125           H        VAL 125   2.467  -8.394   9.209
  929    HA   VAL 125           HA       VAL 125   4.857  -8.296  10.870
  930    HB   VAL 125           HB       VAL 125   2.081  -9.107  11.754
  931   1HG1  VAL 125          2HG1      VAL 125   4.596  -8.188  12.985
  932   2HG1  VAL 125          1HG1      VAL 125   3.127  -7.451  13.627
  933   3HG1  VAL 125          3HG1      VAL 125   3.317  -9.204  13.651
  934   1HG2  VAL 125          3HG2      VAL 125   2.983  -6.553  10.630
  935   2HG2  VAL 125          2HG2      VAL 125   1.351  -7.113  10.975
  936   3HG2  VAL 125          1HG2      VAL 125   2.315  -6.395  12.254
  937    H2   HC4  69           H2       HC4  69  -6.727  -4.602   3.260
  938    H3   HC4  69           H3       HC4  69  -7.313  -7.397   2.184
  939    H2'  HC4  69           H2'      HC4  69  -5.482  -8.266   0.787
  940    H3'  HC4  69           H3'      HC4  69  -3.269  -8.048  -0.307
  941    H5'  HC4  69           H5'      HC4  69  -2.848  -4.086   1.364
  942    H6'  HC4  69           H6'      HC4  69  -5.082  -4.315   2.424
   
  No H/Q in entry =         942
  Start of MODEL   24
    1   1H    MET   1           H3       MET   1  10.960   3.125  15.592
    2   2H    MET   1           H2       MET   1  11.972   3.783  16.788
    3   3H    MET   1           H1       MET   1  10.918   4.790  15.916
    4    HA   MET   1           HA       MET   1  13.022   5.159  14.978
    5   1HB   MET   1          1HB       MET   1  13.290   2.271  15.534
    6   2HB   MET   1          2HB       MET   1  14.011   2.795  14.012
    7   1HG   MET   1          2HG       MET   1  15.790   3.295  15.365
    8   2HG   MET   1          1HG       MET   1  14.879   4.782  15.624
    9   1HE   MET   1          3HE       MET   1  17.012   2.950  16.908
   10   2HE   MET   1          2HE       MET   1  16.809   3.040  18.656
   11   3HE   MET   1          1HE       MET   1  16.346   1.572  17.797
   12    H    GLU   2           H        GLU   2  11.936   6.061  13.247
   13    HA   GLU   2           HA       GLU   2  10.436   4.362  11.377
   14   1HB   GLU   2          1HB       GLU   2   9.792   6.744  12.056
   15   2HB   GLU   2          2HB       GLU   2  11.124   7.286  11.033
   16   1HG   GLU   2          1HG       GLU   2   9.519   5.333   9.629
   17   2HG   GLU   2          2HG       GLU   2   8.505   6.654  10.209
   18    H    HIS   3           H        HIS   3  13.047   6.764  10.864
   19    HA   HIS   3           HA       HIS   3  14.741   6.809   9.246
   20   1HB   HIS   3          1HB       HIS   3  14.648   3.872   9.970
   21   2HB   HIS   3          2HB       HIS   3  15.881   4.559   8.913
   22    HD1  HIS   3           HD1      HIS   3  17.878   5.551  10.052
   23    HD2  HIS   3           HD2      HIS   3  14.625   5.235  12.641
   24    HE1  HIS   3           HE1      HIS   3  18.712   6.250  12.339
   25    H    VAL   4           H        VAL   4  13.886   3.581   8.117
   26    HA   VAL   4           HA       VAL   4  12.985   4.836   5.578
   27    HB   VAL   4           HB       VAL   4  13.393   2.649   4.578
   28   1HG1  VAL   4          1HG1      VAL   4  15.625   3.718   6.274
   29   2HG1  VAL   4          3HG1      VAL   4  15.863   2.447   5.075
   30   3HG1  VAL   4          2HG1      VAL   4  15.304   4.041   4.570
   31   1HG2  VAL   4          1HG2      VAL   4  13.557   1.801   7.400
   32   2HG2  VAL   4          3HG2      VAL   4  13.033   0.893   5.982
   33   3HG2  VAL   4          2HG2      VAL   4  14.752   1.077   6.324
   34    H    ALA   5           H        ALA   5  10.734   5.250   6.059
   35    HA   ALA   5           HA       ALA   5   8.461   4.644   6.435
   36   1HB   ALA   5          1HB       ALA   5   9.555   2.974   4.498
   37   2HB   ALA   5          3HB       ALA   5   8.872   1.831   5.650
   38   3HB   ALA   5          2HB       ALA   5   7.842   3.051   4.908
   39    H    PHE   6           H        PHE   6   7.638   1.845   7.090
   40    HA   PHE   6           HA       PHE   6   8.452   1.855   9.941
   41   1HB   PHE   6          1HB       PHE   6   6.759  -0.135   9.965
   42   2HB   PHE   6          2HB       PHE   6   6.139   1.504   9.838
   43    HD1  PHE   6           HD2      PHE   6   7.688  -0.699   7.171
   44    HD2  PHE   6           HD1      PHE   6   4.190   1.354   8.576
   45    HE1  PHE   6           HE2      PHE   6   6.482  -1.320   5.120
   46    HE2  PHE   6           HE1      PHE   6   3.028   0.702   6.506
   47    HZ   PHE   6           HZ       PHE   6   4.155  -0.608   4.792
   48    H    GLY   7           H        GLY   7  10.560   1.309   8.385
   49   1HA   GLY   7          1HA       GLY   7  12.261  -0.411   8.699
   50   2HA   GLY   7          2HA       GLY   7  10.973  -1.620   8.683
   51    H    SER   8           H        SER   8  10.140   0.599   6.363
   52    HA   SER   8           HA       SER   8  11.157  -1.142   4.226
   53   1HB   SER   8          1HB       SER   8   9.326   1.087   3.557
   54   2HB   SER   8          2HB       SER   8   9.260  -0.596   3.055
   55    HG   SER   8           HG       SER   8   8.703  -0.985   5.368
   56    H    GLU   9           H        GLU   9  13.021  -0.604   3.318
   57    HA   GLU   9           HA       GLU   9  14.495   1.752   3.422
   58   1HB   GLU   9          1HB       GLU   9  14.277  -0.353   1.277
   59   2HB   GLU   9          2HB       GLU   9  15.422   0.984   1.156
   60   1HG   GLU   9          1HG       GLU   9  16.612   0.299   3.080
   61   2HG   GLU   9          2HG       GLU   9  15.289  -0.727   3.638
   62    H    ASP  10           H        ASP  10  13.517   3.735   3.036
   63    HA   ASP  10           HA       ASP  10  11.964   5.238   1.914
   64   1HB   ASP  10          1HB       ASP  10  14.695   4.996   0.942
   65   2HB   ASP  10          2HB       ASP  10  13.621   5.663  -0.287
   66    H    ILE  11           H        ILE  11  10.266   3.668   1.278
   67    HA   ILE  11           HA       ILE  11  10.312   2.300  -1.224
   68    HB   ILE  11           HB       ILE  11   7.821   3.366  -0.132
   69   1HG1  ILE  11          1HG1      ILE  11   8.920   2.632   1.912
   70   2HG1  ILE  11          2HG1      ILE  11   7.701   1.447   1.464
   71   1HG2  ILE  11          2HG2      ILE  11   8.373   1.673  -2.141
   72   2HG2  ILE  11          1HG2      ILE  11   8.157   0.532  -0.813
   73   3HG2  ILE  11          3HG2      ILE  11   6.857   1.642  -1.240
   74   1HD1  ILE  11          2HD1      ILE  11  10.198   0.862   0.138
   75   2HD1  ILE  11          1HD1      ILE  11  10.418   0.954   1.884
   76   3HD1  ILE  11          3HD1      ILE  11   9.228  -0.149   1.205
   77    H    GLU  12           H        GLU  12   8.480   5.234  -0.357
   78    HA   GLU  12           HA       GLU  12   7.472   6.018  -2.744
   79   1HB   GLU  12          1HB       GLU  12   7.871   8.407  -2.063
   80   2HB   GLU  12          2HB       GLU  12   7.178   7.401  -0.789
   81   1HG   GLU  12          1HG       GLU  12   8.961   7.739   0.544
   82   2HG   GLU  12          2HG       GLU  12  10.077   7.280  -0.739
   83    H    ASN  13           H        ASN  13  10.927   6.110  -2.000
   84    HA   ASN  13           HA       ASN  13  11.543   7.579  -4.479
   85   1HB   ASN  13          1HB       ASN  13  12.915   7.753  -2.340
   86   2HB   ASN  13          2HB       ASN  13  13.470   6.109  -2.655
   87   1HD2  ASN  13          2HD2      ASN  13  15.837   8.609  -4.228
   88   2HD2  ASN  13          1HD2      ASN  13  15.227   8.436  -2.653
   89    H    THR  14           H        THR  14  11.933   4.296  -3.181
   90    HA   THR  14           HA       THR  14  13.049   3.141  -5.569
   91    HB   THR  14           HB       THR  14  11.688   2.051  -3.097
   92    HG1  THR  14           HG1      THR  14  13.687   1.689  -2.516
   93   1HG2  THR  14          1HG2      THR  14  12.348   0.606  -5.636
   94   2HG2  THR  14          3HG2      THR  14  12.672  -0.209  -4.106
   95   3HG2  THR  14          2HG2      THR  14  11.035   0.325  -4.493
   96    H    LEU  15           H        LEU  15   9.916   4.270  -4.882
   97    HA   LEU  15           HA       LEU  15   8.615   2.367  -6.727
   98   1HB   LEU  15          1HB       LEU  15   7.421   4.628  -5.097
   99   2HB   LEU  15          2HB       LEU  15   6.529   3.366  -5.943
  100    HG   LEU  15           HG       LEU  15   8.557   2.714  -3.814
  101   1HD1  LEU  15          3HD1      LEU  15   6.007   4.010  -3.484
  102   2HD1  LEU  15          2HD1      LEU  15   5.968   2.400  -2.767
  103   3HD1  LEU  15          1HD1      LEU  15   7.190   3.564  -2.258
  104   1HD2  LEU  15          2HD2      LEU  15   7.339   1.097  -5.597
  105   2HD2  LEU  15          1HD2      LEU  15   7.761   0.578  -3.965
  106   3HD2  LEU  15          3HD2      LEU  15   6.118   1.107  -4.322
  107    H    ALA  16           H        ALA  16   9.773   5.652  -6.534
  108    HA   ALA  16           HA       ALA  16   8.372   6.417  -9.028
  109   1HB   ALA  16          2HB       ALA  16   8.989   7.877  -6.829
  110   2HB   ALA  16          1HB       ALA  16  10.399   8.227  -7.829
  111   3HB   ALA  16          3HB       ALA  16   8.781   8.590  -8.429
  112    H    LYS  17           H        LYS  17  11.415   5.126  -8.037
  113    HA   LYS  17           HA       LYS  17  12.532   5.791 -10.733
  114   1HB   LYS  17          1HB       LYS  17  13.706   5.935  -8.034
  115   2HB   LYS  17          2HB       LYS  17  14.725   5.121  -9.223
  116   1HG   LYS  17          1HG       LYS  17  13.582   7.435 -10.461
  117   2HG   LYS  17          2HG       LYS  17  14.286   7.923  -8.919
  118   1HD   LYS  17          1HD       LYS  17  16.267   7.950 -10.010
  119   2HD   LYS  17          2HD       LYS  17  16.186   6.190  -9.939
  120   1HE   LYS  17          1HE       LYS  17  14.586   7.283 -12.127
  121   2HE   LYS  17          2HE       LYS  17  16.288   7.721 -12.260
  122   1HZ   LYS  17          1HZ       LYS  17  16.094   5.023 -11.488
  123   2HZ   LYS  17          3HZ       LYS  17  15.099   5.268 -12.840
  124   3HZ   LYS  17          2HZ       LYS  17  16.746   5.674 -12.916
  125    H    MET  18           H        MET  18  10.855   3.502 -10.117
  126    HA   MET  18           HA       MET  18  12.833   1.340 -10.671
  127   1HB   MET  18          1HB       MET  18  12.037   1.081  -8.366
  128   2HB   MET  18          2HB       MET  18  10.365   1.176  -8.914
  129   1HG   MET  18          2HG       MET  18  12.123  -0.878 -10.180
  130   2HG   MET  18          1HG       MET  18  11.579  -1.174  -8.530
  131   1HE   MET  18          2HE       MET  18   9.389  -0.175  -7.925
  132   2HE   MET  18          1HE       MET  18   8.054   0.164  -9.023
  133   3HE   MET  18          3HE       MET  18   8.197  -1.427  -8.263
  134    H    ASP  19           H        ASP  19  12.293   0.121 -12.459
  135    HA   ASP  19           HA       ASP  19  10.042   0.961 -14.089
  136   1HB   ASP  19          1HB       ASP  19  11.965  -1.371 -14.355
  137   2HB   ASP  19          2HB       ASP  19  10.776  -0.920 -15.578
  138    H    ASP  20           H        ASP  20  10.761  -2.426 -13.262
  139    HA   ASP  20           HA       ASP  20   8.410  -2.875 -11.692
  140   1HB   ASP  20          1HB       ASP  20   7.182  -4.242 -13.486
  141   2HB   ASP  20          2HB       ASP  20   7.091  -2.489 -13.653
  142    H    GLY  21           H        GLY  21  10.557  -3.811 -10.882
  143   1HA   GLY  21          1HA       GLY  21  10.501  -6.558 -10.674
  144   2HA   GLY  21          2HA       GLY  21  11.493  -6.285 -12.109
  145    H    GLN  22           H        GLN  22  11.295  -4.274  -9.196
  146    HA   GLN  22           HA       GLN  22  14.123  -5.001  -8.589
  147   1HB   GLN  22          1HB       GLN  22  13.530  -2.661  -9.774
  148   2HB   GLN  22          2HB       GLN  22  13.247  -2.202  -8.094
  149   1HG   GLN  22          1HG       GLN  22  15.553  -3.399  -7.678
  150   2HG   GLN  22          2HG       GLN  22  15.792  -3.110  -9.401
  151   1HE2  GLN  22          2HE2      GLN  22  15.205   0.571  -8.637
  152   2HE2  GLN  22          1HE2      GLN  22  14.257  -0.583  -9.447
  153    H    LEU  23           H        LEU  23  11.048  -3.669  -7.406
  154    HA   LEU  23           HA       LEU  23  11.998  -4.192  -4.625
  155   1HB   LEU  23          1HB       LEU  23   9.808  -2.892  -4.075
  156   2HB   LEU  23          2HB       LEU  23  11.203  -1.993  -4.658
  157    HG   LEU  23           HG       LEU  23  10.266  -1.995  -6.933
  158   1HD1  LEU  23          3HD1      LEU  23   8.271  -3.810  -5.632
  159   2HD1  LEU  23          2HD1      LEU  23   7.711  -2.746  -6.920
  160   3HD1  LEU  23          1HD1      LEU  23   8.995  -3.914  -7.236
  161   1HD2  LEU  23          1HD2      LEU  23   8.788  -0.923  -4.590
  162   2HD2  LEU  23          3HD2      LEU  23   9.505  -0.064  -5.953
  163   3HD2  LEU  23          2HD2      LEU  23   7.944  -0.864  -6.138
  164    H    ASP  24           H        ASP  24  10.718  -6.070  -6.802
  165    HA   ASP  24           HA       ASP  24   8.197  -6.902  -5.686
  166   1HB   ASP  24          1HB       ASP  24  10.191  -8.440  -7.380
  167   2HB   ASP  24          2HB       ASP  24   8.531  -8.943  -7.059
  168    H    GLY  25           H        GLY  25  11.443  -7.353  -4.642
  169   1HA   GLY  25          1HA       GLY  25  10.707  -9.751  -3.047
  170   2HA   GLY  25          2HA       GLY  25  12.348  -9.165  -3.304
  171    H    LEU  26           H        LEU  26   9.885  -6.829  -2.478
  172    HA   LEU  26           HA       LEU  26  11.319  -6.018  -0.125
  173   1HB   LEU  26          1HB       LEU  26   8.581  -5.329  -1.226
  174   2HB   LEU  26          2HB       LEU  26   9.192  -4.644   0.274
  175    HG   LEU  26           HG       LEU  26  10.554  -4.405  -2.426
  176   1HD1  LEU  26          2HD1      LEU  26   8.738  -2.580  -0.840
  177   2HD1  LEU  26          1HD1      LEU  26   9.884  -1.932  -2.013
  178   3HD1  LEU  26          3HD1      LEU  26   8.616  -3.040  -2.537
  179   1HD2  LEU  26          1HD2      LEU  26  11.429  -3.955   0.302
  180   2HD2  LEU  26          3HD2      LEU  26  12.353  -3.808  -1.194
  181   3HD2  LEU  26          2HD2      LEU  26  11.422  -2.435  -0.595
  182    H    ALA  27           H        ALA  27   9.908  -5.742   1.905
  183    HA   ALA  27           HA       ALA  27   8.611  -8.357   2.562
  184   1HB   ALA  27          3HB       ALA  27  10.740  -7.377   3.846
  185   2HB   ALA  27          2HB       ALA  27   9.504  -6.452   4.697
  186   3HB   ALA  27          1HB       ALA  27   9.458  -8.215   4.721
  187    H    PHE  28           H        PHE  28   7.655  -5.668   1.367
  188    HA   PHE  28           HA       PHE  28   5.146  -5.525   2.862
  189   1HB   PHE  28          1HB       PHE  28   5.589  -2.850   2.628
  190   2HB   PHE  28          2HB       PHE  28   5.948  -3.747   4.099
  191    HD1  PHE  28           HD1      PHE  28   7.504  -2.741   0.839
  192    HD2  PHE  28           HD2      PHE  28   8.126  -3.760   4.948
  193    HE1  PHE  28           HE1      PHE  28   9.914  -2.166   0.619
  194    HE2  PHE  28           HE2      PHE  28  10.527  -3.204   4.737
  195    HZ   PHE  28           HZ       PHE  28  11.435  -2.380   2.584
  196    H    GLY  29           H        GLY  29   3.522  -5.176   1.354
  197   1HA   GLY  29          1HA       GLY  29   4.302  -4.861  -1.446
  198   2HA   GLY  29          2HA       GLY  29   2.656  -5.037  -0.851
  199    H    ALA  30           H        ALA  30   4.388  -2.922  -2.545
  200    HA   ALA  30           HA       ALA  30   3.364  -0.555  -1.058
  201   1HB   ALA  30          1HB       ALA  30   5.577  -0.958  -3.027
  202   2HB   ALA  30          3HB       ALA  30   4.752   0.600  -3.033
  203   3HB   ALA  30          2HB       ALA  30   5.542   0.029  -1.565
  204    H    ILE  31           H        ILE  31   1.423   0.190  -1.708
  205    HA   ILE  31           HA       ILE  31   0.645  -0.358  -4.534
  206    HB   ILE  31           HB       ILE  31  -1.613  -0.558  -3.874
  207   1HG1  ILE  31          1HG1      ILE  31  -2.190  -0.056  -1.368
  208   2HG1  ILE  31          2HG1      ILE  31  -0.763   0.977  -1.433
  209   1HG2  ILE  31          3HG2      ILE  31   0.141  -1.669  -1.672
  210   2HG2  ILE  31          2HG2      ILE  31  -1.562  -2.087  -1.868
  211   3HG2  ILE  31          1HG2      ILE  31  -0.404  -2.493  -3.127
  212   1HD1  ILE  31          1HD1      ILE  31  -2.401   1.389  -3.782
  213   2HD1  ILE  31          3HD1      ILE  31  -3.363   1.615  -2.321
  214   3HD1  ILE  31          2HD1      ILE  31  -1.897   2.563  -2.567
  215    H    GLN  32           H        GLN  32  -0.328   1.349  -5.725
  216    HA   GLN  32           HA       GLN  32   0.073   4.057  -4.525
  217   1HB   GLN  32          1HB       GLN  32   0.684   2.949  -7.248
  218   2HB   GLN  32          2HB       GLN  32   0.204   4.641  -7.116
  219   1HG   GLN  32          1HG       GLN  32   2.004   4.542  -5.109
  220   2HG   GLN  32          2HG       GLN  32   2.677   3.295  -6.159
  221   1HE2  GLN  32          2HE2      GLN  32   4.049   5.663  -8.358
  222   2HE2  GLN  32          1HE2      GLN  32   4.077   4.087  -7.729
  223    H    LEU  33           H        LEU  33  -1.480   5.704  -5.563
  224    HA   LEU  33           HA       LEU  33  -3.905   4.477  -6.696
  225   1HB   LEU  33          1HB       LEU  33  -3.763   5.698  -3.949
  226   2HB   LEU  33          2HB       LEU  33  -5.256   5.796  -4.881
  227    HG   LEU  33           HG       LEU  33  -3.769   3.245  -4.184
  228   1HD1  LEU  33          1HD1      LEU  33  -5.211   4.634  -2.439
  229   2HD1  LEU  33          3HD1      LEU  33  -6.559   3.896  -3.303
  230   3HD1  LEU  33          2HD1      LEU  33  -5.350   2.877  -2.523
  231   1HD2  LEU  33          2HD2      LEU  33  -5.694   3.860  -6.241
  232   2HD2  LEU  33          1HD2      LEU  33  -4.929   2.313  -5.878
  233   3HD2  LEU  33          3HD2      LEU  33  -6.427   2.769  -5.066
  234    H    ASP  34           H        ASP  34  -5.079   5.957  -7.930
  235    HA   ASP  34           HA       ASP  34  -3.918   8.675  -8.173
  236   1HB   ASP  34          1HB       ASP  34  -4.538   7.065 -10.182
  237   2HB   ASP  34          2HB       ASP  34  -6.176   7.648  -9.881
  238    H    GLY  35           H        GLY  35  -5.679  10.442  -8.369
  239   1HA   GLY  35          1HA       GLY  35  -7.067  10.737  -5.995
  240   2HA   GLY  35          2HA       GLY  35  -7.545  11.554  -7.477
  241    H    ASP  36           H        ASP  36  -8.128   8.744  -8.677
  242    HA   ASP  36           HA       ASP  36 -10.895   8.669  -7.622
  243   1HB   ASP  36          1HB       ASP  36  -9.523   7.527 -10.047
  244   2HB   ASP  36          2HB       ASP  36 -11.107   6.932  -9.551
  245    H    GLY  37           H        GLY  37  -8.256   7.344  -6.461
  246   1HA   GLY  37          1HA       GLY  37  -7.933   5.542  -4.998
  247   2HA   GLY  37          2HA       GLY  37  -9.610   5.080  -5.283
  248    H    ASN  38           H        ASN  38  -7.400   5.611  -7.968
  249    HA   ASN  38           HA       ASN  38  -7.800   2.733  -8.662
  250   1HB   ASN  38          1HB       ASN  38  -6.727   5.023 -10.327
  251   2HB   ASN  38          2HB       ASN  38  -6.995   3.381 -10.911
  252   1HD2  ASN  38          2HD2      ASN  38 -10.047   5.503 -11.603
  253   2HD2  ASN  38          1HD2      ASN  38  -8.402   5.693 -11.974
  254    H    ILE  39           H        ILE  39  -6.215   1.259  -8.507
  255    HA   ILE  39           HA       ILE  39  -3.718   1.784  -7.305
  256    HB   ILE  39           HB       ILE  39  -5.102  -0.506  -8.289
  257   1HG1  ILE  39          1HG1      ILE  39  -2.749  -1.389  -7.051
  258   2HG1  ILE  39          2HG1      ILE  39  -3.048   0.203  -6.354
  259   1HG2  ILE  39          1HG2      ILE  39  -3.549  -0.341 -10.282
  260   2HG2  ILE  39          3HG2      ILE  39  -2.207  -0.593  -9.167
  261   3HG2  ILE  39          2HG2      ILE  39  -3.428  -1.846  -9.371
  262   1HD1  ILE  39          2HD1      ILE  39  -5.520  -0.647  -6.141
  263   2HD1  ILE  39          1HD1      ILE  39  -4.789  -2.246  -6.289
  264   3HD1  ILE  39          3HD1      ILE  39  -4.321  -1.181  -4.963
  265    H    LEU  40           H        LEU  40  -1.761   2.373  -8.030
  266    HA   LEU  40           HA       LEU  40  -1.442   2.844 -10.969
  267   1HB   LEU  40          1HB       LEU  40   0.396   4.130  -8.985
  268   2HB   LEU  40          2HB       LEU  40  -0.165   4.733 -10.541
  269    HG   LEU  40           HG       LEU  40  -1.915   4.497  -8.077
  270   1HD1  LEU  40          1HD1      LEU  40   0.115   6.226  -8.248
  271   2HD1  LEU  40          3HD1      LEU  40  -1.050   7.114  -9.229
  272   3HD1  LEU  40          2HD1      LEU  40  -1.436   6.698  -7.561
  273   1HD2  LEU  40          1HD2      LEU  40  -2.889   4.438 -10.485
  274   2HD2  LEU  40          3HD2      LEU  40  -3.570   5.603  -9.352
  275   3HD2  LEU  40          2HD2      LEU  40  -2.408   6.133 -10.567
  276    H    GLN  41           H        GLN  41  -0.174   1.379  -8.069
  277    HA   GLN  41           HA       GLN  41   1.561  -0.377  -9.635
  278   1HB   GLN  41          1HB       GLN  41   3.235   1.239  -9.485
  279   2HB   GLN  41          2HB       GLN  41   2.633   1.882  -7.966
  280   1HG   GLN  41          1HG       GLN  41   3.762  -0.900  -8.036
  281   2HG   GLN  41          2HG       GLN  41   4.858   0.474  -8.026
  282   1HE2  GLN  41          2HE2      GLN  41   2.496   0.952  -4.794
  283   2HE2  GLN  41          1HE2      GLN  41   1.913   1.215  -6.355
  284    H    TYR  42           H        TYR  42   2.392  -2.162  -8.175
  285    HA   TYR  42           HA       TYR  42   1.053  -2.301  -5.518
  286   1HB   TYR  42          1HB       TYR  42  -0.206  -3.367  -7.643
  287   2HB   TYR  42          2HB       TYR  42   0.870  -4.704  -7.284
  288    HD1  TYR  42           HD1      TYR  42  -1.344  -2.317  -5.397
  289    HD2  TYR  42           HD2      TYR  42   0.033  -6.357  -5.877
  290    HE1  TYR  42           HE1      TYR  42  -2.905  -3.062  -3.610
  291    HE2  TYR  42           HE2      TYR  42  -1.528  -7.103  -4.098
  292    HH   TYR  42           HH       TYR  42  -3.187  -6.536  -2.748
  293    H    ASN  43           H        ASN  43   2.793  -4.474  -7.738
  294    HA   ASN  43           HA       ASN  43   5.031  -5.246  -7.579
  295   1HB   ASN  43          1HB       ASN  43   6.448  -4.791  -5.833
  296   2HB   ASN  43          2HB       ASN  43   5.278  -3.504  -5.586
  297   1HD2  ASN  43          2HD2      ASN  43   5.930  -5.342  -2.353
  298   2HD2  ASN  43          1HD2      ASN  43   6.956  -4.625  -3.495
  299    H    ALA  44           H        ALA  44   6.017  -7.233  -6.193
  300    HA   ALA  44           HA       ALA  44   3.801  -9.194  -6.213
  301   1HB   ALA  44          1HB       ALA  44   5.983  -9.501  -7.499
  302   2HB   ALA  44          3HB       ALA  44   6.744  -9.800  -5.937
  303   3HB   ALA  44          2HB       ALA  44   5.462 -10.866  -6.512
  304    H    ALA  45           H        ALA  45   5.696  -7.550  -3.839
  305    HA   ALA  45           HA       ALA  45   5.881  -9.557  -1.836
  306   1HB   ALA  45          2HB       ALA  45   6.734  -7.057  -1.881
  307   2HB   ALA  45          1HB       ALA  45   5.202  -6.740  -1.068
  308   3HB   ALA  45          3HB       ALA  45   6.373  -7.841  -0.344
  309    H    GLU  46           H        GLU  46   3.370  -7.008  -1.981
  310    HA   GLU  46           HA       GLU  46   1.648  -8.293  -0.106
  311   1HB   GLU  46          1HB       GLU  46  -0.186  -6.917  -1.239
  312   2HB   GLU  46          2HB       GLU  46   1.148  -6.022  -0.554
  313   1HG   GLU  46          1HG       GLU  46   2.193  -6.071  -2.891
  314   2HG   GLU  46          2HG       GLU  46   0.630  -6.643  -3.452
  315    HE2  GLU  46           HE1      GLU  46   2.010  -3.359  -2.864
  316    H    GLY  47           H        GLY  47   1.569  -8.264  -3.647
  317   1HA   GLY  47          1HA       GLY  47  -0.662 -10.013  -3.948
  318   2HA   GLY  47          2HA       GLY  47   0.627  -9.814  -5.145
  319    H    ASP  48           H        ASP  48   2.504 -10.693  -2.743
  320    HA   ASP  48           HA       ASP  48   2.524 -13.501  -3.548
  321   1HB   ASP  48          1HB       ASP  48   4.637 -12.301  -3.179
  322   2HB   ASP  48          2HB       ASP  48   4.189 -12.005  -1.500
  323    H    ILE  49           H        ILE  49   1.716 -11.666  -0.602
  324    HA   ILE  49           HA       ILE  49   1.115 -14.123   0.868
  325    HB   ILE  49           HB       ILE  49   1.535 -11.331   1.447
  326   1HG1  ILE  49          1HG1      ILE  49   2.934 -13.102   2.330
  327   2HG1  ILE  49          2HG1      ILE  49   2.151 -12.263   3.668
  328   1HG2  ILE  49          1HG2      ILE  49  -0.895 -12.619   2.649
  329   2HG2  ILE  49          3HG2      ILE  49   0.048 -11.449   3.572
  330   3HG2  ILE  49          2HG2      ILE  49  -0.697 -10.974   2.048
  331   1HD1  ILE  49          3HD1      ILE  49   0.325 -14.249   2.989
  332   2HD1  ILE  49          2HD1      ILE  49   1.890 -15.048   2.823
  333   3HD1  ILE  49          1HD1      ILE  49   1.442 -14.294   4.354
  334    H    THR  50           H        THR  50  -0.652 -11.431  -0.545
  335    HA   THR  50           HA       THR  50  -3.233 -12.687   0.086
  336    HB   THR  50           HB       THR  50  -4.109 -10.617  -0.029
  337    HG1  THR  50           HG1      THR  50  -3.017  -9.585  -2.293
  338   1HG2  THR  50          3HG2      THR  50  -1.503 -10.140   0.540
  339   2HG2  THR  50          2HG2      THR  50  -1.660  -9.198  -0.938
  340   3HG2  THR  50          1HG2      THR  50  -2.709  -8.872   0.437
  341    H    GLY  51           H        GLY  51  -1.151 -12.180  -2.692
  342   1HA   GLY  51          1HA       GLY  51  -1.255 -13.706  -4.590
  343   2HA   GLY  51          2HA       GLY  51  -2.961 -13.936  -4.236
  344    H    ARG  52           H        ARG  52  -2.553 -10.710  -3.832
  345    HA   ARG  52           HA       ARG  52  -3.917 -10.044  -6.271
  346   1HB   ARG  52          1HB       ARG  52  -2.893  -8.583  -3.917
  347   2HB   ARG  52          2HB       ARG  52  -3.009  -7.641  -5.401
  348   1HG   ARG  52          1HG       ARG  52  -5.365  -8.778  -5.595
  349   2HG   ARG  52          2HG       ARG  52  -5.183  -8.998  -3.857
  350   1HD   ARG  52          1HD       ARG  52  -4.410  -6.335  -4.458
  351   2HD   ARG  52          2HD       ARG  52  -5.932  -6.640  -5.289
  352    HE   ARG  52           HE       ARG  52  -5.688  -6.206  -2.490
  353   1HH1  ARG  52          2HH1      ARG  52  -7.221  -8.367  -4.773
  354   2HH1  ARG  52          1HH1      ARG  52  -8.529  -8.730  -3.709
  355   1HH2  ARG  52          1HH2      ARG  52  -7.464  -6.644  -1.179
  356   2HH2  ARG  52          2HH2      ARG  52  -8.661  -7.779  -1.695
  357    H    ASP  53           H        ASP  53  -2.813 -10.342  -8.153
  358    HA   ASP  53           HA       ASP  53   0.023  -9.783  -8.433
  359   1HB   ASP  53          1HB       ASP  53  -2.210 -10.611 -10.227
  360   2HB   ASP  53          2HB       ASP  53  -0.843  -9.798 -10.990
  361    HA   PRO  54           HA       PRO  54  -0.225  -5.492  -9.381
  362   1HB   PRO  54          1HB       PRO  54   1.659  -5.216 -11.369
  363   2HB   PRO  54          2HB       PRO  54   2.064  -5.467  -9.662
  364   1HG   PRO  54          1HG       PRO  54   2.207  -7.401 -11.930
  365   2HG   PRO  54          2HG       PRO  54   3.147  -7.359 -10.430
  366   1HD   PRO  54          1HD       PRO  54   0.963  -9.073 -10.957
  367   2HD   PRO  54          2HD       PRO  54   1.683  -8.763  -9.362
  368    H    LYS  55           H        LYS  55  -0.265  -7.575 -12.268
  369    HA   LYS  55           HA       LYS  55  -1.472  -5.589 -13.979
  370   1HB   LYS  55          1HB       LYS  55  -0.367  -8.157 -14.301
  371   2HB   LYS  55          2HB       LYS  55  -2.057  -8.311 -14.784
  372   1HG   LYS  55          1HG       LYS  55  -1.383  -7.465 -16.774
  373   2HG   LYS  55          2HG       LYS  55  -1.323  -5.913 -15.938
  374   1HD   LYS  55          1HD       LYS  55   0.825  -6.091 -16.879
  375   2HD   LYS  55          2HD       LYS  55   1.067  -6.644 -15.221
  376   1HE   LYS  55          1HE       LYS  55   0.238  -8.871 -16.840
  377   2HE   LYS  55          2HE       LYS  55   1.605  -8.071 -17.615
  378   1HZ   LYS  55          1HZ       LYS  55   1.504  -8.947 -14.780
  379   2HZ   LYS  55          3HZ       LYS  55   2.330  -9.746 -16.027
  380   3HZ   LYS  55          2HZ       LYS  55   2.823  -8.194 -15.542
  381    H    GLN  56           H        GLN  56  -2.679  -7.834 -11.619
  382    HA   GLN  56           HA       GLN  56  -5.428  -7.759 -12.640
  383   1HB   GLN  56          1HB       GLN  56  -4.598  -9.759 -11.448
  384   2HB   GLN  56          2HB       GLN  56  -4.331  -8.784 -10.002
  385   1HG   GLN  56          1HG       GLN  56  -6.649  -8.412  -9.684
  386   2HG   GLN  56          2HG       GLN  56  -7.040  -8.922 -11.327
  387   1HE2  GLN  56          2HE2      GLN  56  -7.617 -12.219 -10.267
  388   2HE2  GLN  56          1HE2      GLN  56  -8.010 -10.947 -11.320
  389    H    VAL  57           H        VAL  57  -3.680  -6.421  -9.825
  390    HA   VAL  57           HA       VAL  57  -5.941  -4.958  -8.814
  391    HB   VAL  57           HB       VAL  57  -4.147  -3.568  -7.651
  392   1HG1  VAL  57          1HG1      VAL  57  -5.249  -5.770  -6.853
  393   2HG1  VAL  57          3HG1      VAL  57  -3.710  -6.524  -7.265
  394   3HG1  VAL  57          2HG1      VAL  57  -3.770  -5.249  -6.047
  395   1HG2  VAL  57          3HG2      VAL  57  -2.550  -4.878  -9.643
  396   2HG2  VAL  57          2HG2      VAL  57  -2.048  -3.679  -8.452
  397   3HG2  VAL  57          1HG2      VAL  57  -1.997  -5.395  -8.050
  398    H    ILE  58           H        ILE  58  -4.018  -4.490 -11.591
  399    HA   ILE  58           HA       ILE  58  -4.049  -1.616 -11.638
  400    HB   ILE  58           HB       ILE  58  -3.345  -3.807 -13.502
  401   1HG1  ILE  58          1HG1      ILE  58  -2.228  -1.019 -13.227
  402   2HG1  ILE  58          2HG1      ILE  58  -1.882  -2.288 -12.052
  403   1HG2  ILE  58          2HG2      ILE  58  -4.521  -1.211 -14.501
  404   2HG2  ILE  58          1HG2      ILE  58  -3.218  -1.994 -15.394
  405   3HG2  ILE  58          3HG2      ILE  58  -4.745  -2.840 -15.137
  406   1HD1  ILE  58          1HD1      ILE  58  -1.358  -2.502 -15.034
  407   2HD1  ILE  58          3HD1      ILE  58  -0.129  -2.149 -13.819
  408   3HD1  ILE  58          2HD1      ILE  58  -0.948  -3.711 -13.816
  409    H    GLY  59           H        GLY  59  -5.745  -0.366 -11.848
  410   1HA   GLY  59          1HA       GLY  59  -7.766   0.428 -12.898
  411   2HA   GLY  59          2HA       GLY  59  -8.028  -1.190 -13.554
  412    H    LYS  60           H        LYS  60  -7.303  -2.206 -10.723
  413    HA   LYS  60           HA       LYS  60 -10.046  -2.310  -9.738
  414   1HB   LYS  60          1HB       LYS  60  -7.571  -3.299  -8.296
  415   2HB   LYS  60          2HB       LYS  60  -9.227  -3.879  -8.124
  416   1HG   LYS  60          1HG       LYS  60  -7.564  -4.119 -10.651
  417   2HG   LYS  60          2HG       LYS  60  -7.822  -5.418  -9.487
  418   1HD   LYS  60          1HD       LYS  60 -10.394  -4.639  -9.945
  419   2HD   LYS  60          2HD       LYS  60  -9.668  -4.313 -11.520
  420   1HE   LYS  60          1HE       LYS  60  -8.788  -6.610 -11.605
  421   2HE   LYS  60          2HE       LYS  60  -9.483  -6.941 -10.018
  422   1HZ   LYS  60          1HZ       LYS  60 -11.663  -6.192 -11.110
  423   2HZ   LYS  60          3HZ       LYS  60 -10.865  -6.473 -12.579
  424   3HZ   LYS  60          2HZ       LYS  60 -11.071  -7.743 -11.469
  425    H    ASN  61           H        ASN  61 -10.878  -1.044  -8.120
  426    HA   ASN  61           HA       ASN  61  -9.319   1.193  -7.123
  427   1HB   ASN  61          1HB       ASN  61 -12.077   0.392  -7.149
  428   2HB   ASN  61          2HB       ASN  61 -11.616   0.735  -5.481
  429   1HD2  ASN  61          2HD2      ASN  61 -11.153   3.803  -8.195
  430   2HD2  ASN  61          1HD2      ASN  61 -10.858   2.210  -8.701
  431    H    PHE  62           H        PHE  62  -7.892   1.048  -5.435
  432    HA   PHE  62           HA       PHE  62  -7.574  -1.394  -3.947
  433   1HB   PHE  62          1HB       PHE  62  -5.699   0.166  -4.340
  434   2HB   PHE  62          2HB       PHE  62  -6.486   1.353  -3.298
  435    HD1  PHE  62           HD1      PHE  62  -5.079  -2.092  -3.372
  436    HD2  PHE  62           HD2      PHE  62  -6.350   1.203  -0.922
  437    HE1  PHE  62           HE1      PHE  62  -4.151  -3.223  -1.370
  438    HE2  PHE  62           HE2      PHE  62  -5.388   0.083   1.072
  439    HZ   PHE  62           HZ       PHE  62  -4.325  -2.144   0.851
  440    H    PHE  63           H        PHE  63  -9.944   0.930  -3.591
  441    HA   PHE  63           HA       PHE  63 -10.031   0.482  -0.649
  442   1HB   PHE  63          1HB       PHE  63 -11.112   2.679  -2.396
  443   2HB   PHE  63          2HB       PHE  63 -11.664   2.456  -0.734
  444    HD1  PHE  63           HD2      PHE  63  -9.629   1.974   0.984
  445    HD2  PHE  63           HD1      PHE  63  -9.335   4.126  -2.716
  446    HE1  PHE  63           HE2      PHE  63  -7.608   3.131   1.824
  447    HE2  PHE  63           HE1      PHE  63  -7.306   5.290  -1.876
  448    HZ   PHE  63           HZ       PHE  63  -6.447   4.788   0.400
  449    H    LYS  64           H        LYS  64 -11.733  -0.280  -3.573
  450    HA   LYS  64           HA       LYS  64 -13.861  -1.508  -1.890
  451   1HB   LYS  64          1HB       LYS  64 -14.261   0.821  -3.397
  452   2HB   LYS  64          2HB       LYS  64 -14.969  -0.473  -4.364
  453   1HG   LYS  64          1HG       LYS  64 -16.352  -1.190  -2.515
  454   2HG   LYS  64          2HG       LYS  64 -15.536  -0.081  -1.413
  455   1HD   LYS  64          1HD       LYS  64 -16.807   1.667  -2.074
  456   2HD   LYS  64          2HD       LYS  64 -16.594   1.272  -3.781
  457   1HE   LYS  64          1HE       LYS  64 -18.372  -0.466  -2.105
  458   2HE   LYS  64          2HE       LYS  64 -18.984   1.090  -2.664
  459   1HZ   LYS  64          2HZ       LYS  64 -17.809   0.052  -4.875
  460   2HZ   LYS  64          1HZ       LYS  64 -18.492  -1.321  -4.143
  461   3HZ   LYS  64          3HZ       LYS  64 -19.472   0.006  -4.532
  462    H    ASP  65           H        ASP  65 -12.329  -1.315  -5.096
  463    HA   ASP  65           HA       ASP  65 -13.550  -3.894  -5.839
  464   1HB   ASP  65          1HB       ASP  65 -12.782  -1.681  -7.298
  465   2HB   ASP  65          2HB       ASP  65 -11.480  -2.828  -7.621
  466    H    VAL  66           H        VAL  66 -10.936  -3.099  -3.935
  467    HA   VAL  66           HA       VAL  66  -9.485  -5.557  -4.822
  468    HB   VAL  66           HB       VAL  66  -8.533  -2.840  -3.952
  469   1HG1  VAL  66          3HG1      VAL  66  -7.345  -5.014  -2.876
  470   2HG1  VAL  66          2HG1      VAL  66  -6.500  -4.924  -4.416
  471   3HG1  VAL  66          1HG1      VAL  66  -6.465  -3.554  -3.316
  472   1HG2  VAL  66          3HG2      VAL  66  -8.103  -4.627  -6.309
  473   2HG2  VAL  66          2HG2      VAL  66  -8.704  -2.967  -6.276
  474   3HG2  VAL  66          1HG2      VAL  66  -7.001  -3.297  -5.954
  475    H    ALA  67           H        ALA  67  -9.170  -3.301  -2.157
  476    HA   ALA  67           HA       ALA  67  -9.386  -5.528  -0.223
  477   1HB   ALA  67          2HB       ALA  67  -8.484  -2.643  -0.023
  478   2HB   ALA  67          1HB       ALA  67  -8.469  -3.784   1.323
  479   3HB   ALA  67          3HB       ALA  67  -7.445  -4.067  -0.086
  480    HA   PRO  68           HA       PRO  68 -13.552  -3.785   0.338
  481   1HB   PRO  68          1HB       PRO  68 -14.570  -5.995   1.620
  482   2HB   PRO  68          2HB       PRO  68 -14.483  -5.833  -0.143
  483   1HG   PRO  68          1HG       PRO  68 -12.780  -7.470   1.683
  484   2HG   PRO  68          2HG       PRO  68 -13.185  -7.742  -0.021
  485   1HD   PRO  68          1HD       PRO  68 -10.748  -6.698   0.937
  486   2HD   PRO  68          2HD       PRO  68 -11.320  -6.622  -0.741
  487    H    CYS  69           H        CYS  69 -11.065  -4.408   2.485
  488    HA   CYS  69           HA       CYS  69 -12.713  -3.718   4.867
  489   1HB   CYS  69          1HB       CYS  69 -10.889  -4.563   6.208
  490   2HB   CYS  69          2HB       CYS  69 -11.223  -5.756   4.955
  491    H    THR  70           H        THR  70 -10.363  -2.476   2.654
  492    HA   THR  70           HA       THR  70  -9.280  -0.445   4.422
  493    HB   THR  70           HB       THR  70  -8.478   0.557   2.207
  494    HG1  THR  70           HG1      THR  70 -10.176  -0.487   0.998
  495   1HG2  THR  70          2HG2      THR  70  -7.478  -1.431   3.756
  496   2HG2  THR  70          1HG2      THR  70  -7.618  -2.276   2.216
  497   3HG2  THR  70          3HG2      THR  70  -6.653  -0.804   2.329
  498    H    ASP  71           H        ASP  71 -12.334  -0.779   3.126
  499    HA   ASP  71           HA       ASP  71 -12.718   2.097   2.583
  500   1HB   ASP  71          1HB       ASP  71 -13.856   0.262   1.231
  501   2HB   ASP  71          2HB       ASP  71 -14.831  -0.072   2.663
  502    H    SER  72           H        SER  72 -11.864   1.851   5.103
  503    HA   SER  72           HA       SER  72 -14.334   2.156   6.765
  504   1HB   SER  72          1HB       SER  72 -11.977   1.696   8.362
  505   2HB   SER  72          2HB       SER  72 -13.457   0.745   8.287
  506    HG   SER  72           HG       SER  72 -11.115   0.540   6.714
  507    HA   PRO  73           HA       PRO  73 -12.865   6.156   7.880
  508   1HB   PRO  73          1HB       PRO  73 -13.147   6.269  10.612
  509   2HB   PRO  73          2HB       PRO  73 -14.509   6.313   9.479
  510   1HG   PRO  73          1HG       PRO  73 -13.600   4.082  11.231
  511   2HG   PRO  73          2HG       PRO  73 -15.214   4.414  10.582
  512   1HD   PRO  73          1HD       PRO  73 -13.381   2.492   9.597
  513   2HD   PRO  73          2HD       PRO  73 -14.861   3.041   8.782
  514    H    GLU  74           H        GLU  74 -11.045   3.499   8.955
  515    HA   GLU  74           HA       GLU  74  -8.940   5.260  10.078
  516   1HB   GLU  74          1HB       GLU  74  -9.950   2.752  10.906
  517   2HB   GLU  74          2HB       GLU  74  -8.306   2.480  10.330
  518   1HG   GLU  74          1HG       GLU  74  -7.742   3.143  12.443
  519   2HG   GLU  74          2HG       GLU  74  -7.938   4.758  11.758
  520    H    PHE  75           H        PHE  75  -9.766   3.218   7.425
  521    HA   PHE  75           HA       PHE  75  -6.937   3.245   6.476
  522   1HB   PHE  75          1HB       PHE  75  -8.722   1.166   6.506
  523   2HB   PHE  75          2HB       PHE  75  -8.987   1.814   4.887
  524    HD1  PHE  75           HD1      PHE  75  -6.977   2.189   3.378
  525    HD2  PHE  75           HD2      PHE  75  -6.780  -0.103   7.001
  526    HE1  PHE  75           HE1      PHE  75  -4.876   1.142   2.597
  527    HE2  PHE  75           HE2      PHE  75  -4.673  -1.156   6.219
  528    HZ   PHE  75           HZ       PHE  75  -3.719  -0.530   4.014
  529    H    TYR  76           H        TYR  76 -10.121   3.375   4.824
  530    HA   TYR  76           HA       TYR  76  -9.098   5.266   2.871
  531   1HB   TYR  76          1HB       TYR  76 -11.021   3.647   2.471
  532   2HB   TYR  76          2HB       TYR  76 -12.010   4.690   3.495
  533    HD1  TYR  76           HD1      TYR  76  -9.455   5.276   0.800
  534    HD2  TYR  76           HD2      TYR  76 -13.414   6.077   2.260
  535    HE1  TYR  76           HE1      TYR  76  -9.854   6.787  -1.128
  536    HE2  TYR  76           HE2      TYR  76 -13.817   7.588   0.335
  537    HH   TYR  76           HH       TYR  76 -12.676   7.674  -2.201
  538    H    GLY  77           H        GLY  77 -10.378   5.483   6.065
  539   1HA   GLY  77          1HA       GLY  77 -11.520   8.101   6.010
  540   2HA   GLY  77          2HA       GLY  77 -10.870   7.308   7.433
  541    H    LYS  78           H        LYS  78  -8.324   7.102   7.239
  542    HA   LYS  78           HA       LYS  78  -7.304   9.761   7.391
  543   1HB   LYS  78          1HB       LYS  78  -5.571   7.348   6.889
  544   2HB   LYS  78          2HB       LYS  78  -5.198   8.787   7.838
  545   1HG   LYS  78          1HG       LYS  78  -6.940   6.447   8.549
  546   2HG   LYS  78          2HG       LYS  78  -5.702   7.236   9.517
  547   1HD   LYS  78          1HD       LYS  78  -7.429   9.296   9.276
  548   2HD   LYS  78          2HD       LYS  78  -8.571   7.961   9.130
  549   1HE   LYS  78          1HE       LYS  78  -6.953   7.168  11.245
  550   2HE   LYS  78          2HE       LYS  78  -7.114   8.907  11.494
  551   1HZ   LYS  78          3HZ       LYS  78  -9.610   8.330  10.917
  552   2HZ   LYS  78          2HZ       LYS  78  -9.154   6.822  11.552
  553   3HZ   LYS  78          1HZ       LYS  78  -9.008   8.225  12.499
  554    H    PHE  79           H        PHE  79  -7.868   7.751   4.711
  555    HA   PHE  79           HA       PHE  79  -5.928   8.962   2.942
  556   1HB   PHE  79          1HB       PHE  79  -6.646   6.686   2.582
  557   2HB   PHE  79          2HB       PHE  79  -8.328   7.193   2.538
  558    HD1  PHE  79           HD1      PHE  79  -9.075   8.767   0.665
  559    HD2  PHE  79           HD2      PHE  79  -5.330   6.648   0.578
  560    HE1  PHE  79           HE1      PHE  79  -8.957   9.057  -1.796
  561    HE2  PHE  79           HE2      PHE  79  -5.241   6.927  -1.867
  562    HZ   PHE  79           HZ       PHE  79  -7.035   8.130  -3.056
  563    H    LYS  80           H        LYS  80  -9.390   9.337   3.607
  564    HA   LYS  80           HA       LYS  80  -9.757  11.233   1.478
  565   1HB   LYS  80          1HB       LYS  80 -11.421   9.842   3.380
  566   2HB   LYS  80          2HB       LYS  80 -11.811  11.561   3.392
  567   1HG   LYS  80          1HG       LYS  80 -11.487  10.885   0.676
  568   2HG   LYS  80          2HG       LYS  80 -12.431   9.572   1.383
  569   1HD   LYS  80          1HD       LYS  80 -13.799  11.489   2.509
  570   2HD   LYS  80          2HD       LYS  80 -13.085  12.505   1.257
  571   1HE   LYS  80          1HE       LYS  80 -14.108  11.292  -0.485
  572   2HE   LYS  80          2HE       LYS  80 -14.422   9.899   0.550
  573   1HZ   LYS  80          3HZ       LYS  80 -15.704  12.565   0.805
  574   2HZ   LYS  80          2HZ       LYS  80 -16.432  11.177   0.151
  575   3HZ   LYS  80          1HZ       LYS  80 -16.009  11.223   1.796
  576    H    GLU  81           H        GLU  81  -8.367  11.367   4.552
  577    HA   GLU  81           HA       GLU  81  -9.016  14.272   4.839
  578   1HB   GLU  81          1HB       GLU  81  -8.037  14.139   7.061
  579   2HB   GLU  81          2HB       GLU  81  -9.177  12.808   6.871
  580   1HG   GLU  81          1HG       GLU  81  -7.330  11.294   6.328
  581   2HG   GLU  81          2HG       GLU  81  -6.177  12.611   6.500
  582    H    GLY  82           H        GLY  82  -6.351  12.025   4.377
  583   1HA   GLY  82          1HA       GLY  82  -4.256  14.003   4.327
  584   2HA   GLY  82          2HA       GLY  82  -4.159  12.388   3.617
  585    H    VAL  83           H        VAL  83  -6.377  12.575   1.888
  586    HA   VAL  83           HA       VAL  83  -5.211  13.713  -0.443
  587    HB   VAL  83           HB       VAL  83  -8.113  13.073   0.166
  588   1HG1  VAL  83          1HG1      VAL  83  -6.684  13.860  -2.359
  589   2HG1  VAL  83          3HG1      VAL  83  -8.071  12.774  -2.435
  590   3HG1  VAL  83          2HG1      VAL  83  -8.254  14.393  -1.759
  591   1HG2  VAL  83          3HG2      VAL  83  -6.025  11.341   0.117
  592   2HG2  VAL  83          2HG2      VAL  83  -7.656  10.905  -0.393
  593   3HG2  VAL  83          1HG2      VAL  83  -6.449  11.361  -1.595
  594    H    ALA  84           H        ALA  84  -7.630  15.071   1.797
  595    HA   ALA  84           HA       ALA  84  -8.049  17.450   0.181
  596   1HB   ALA  84          2HB       ALA  84  -9.532  16.304   2.077
  597   2HB   ALA  84          1HB       ALA  84  -8.662  17.445   3.103
  598   3HB   ALA  84          3HB       ALA  84  -9.631  18.035   1.752
  599    H    SER  85           H        SER  85  -6.228  16.810   3.180
  600    HA   SER  85           HA       SER  85  -5.307  19.511   3.498
  601   1HB   SER  85          1HB       SER  85  -5.015  17.019   4.866
  602   2HB   SER  85          2HB       SER  85  -3.407  17.689   4.605
  603    HG   SER  85           HG       SER  85  -5.636  19.075   5.700
  604    H    GLY  86           H        GLY  86  -4.290  16.919   1.441
  605   1HA   GLY  86          1HA       GLY  86  -2.727  17.034  -0.334
  606   2HA   GLY  86          2HA       GLY  86  -2.300  18.666   0.193
  607    H    ASN  87           H        ASN  87  -2.289  16.339   2.712
  608    HA   ASN  87           HA       ASN  87   0.596  15.758   2.354
  609   1HB   ASN  87          1HB       ASN  87  -0.623  17.125   4.770
  610   2HB   ASN  87          2HB       ASN  87   0.988  16.408   4.759
  611   1HD2  ASN  87          2HD2      ASN  87   0.994  20.108   3.732
  612   2HD2  ASN  87          1HD2      ASN  87   0.159  19.324   4.985
  613    H    LEU  88           H        LEU  88  -1.165  13.844   1.921
  614    HA   LEU  88           HA       LEU  88  -2.293  12.425   4.082
  615   1HB   LEU  88          1HB       LEU  88  -2.306  12.009   1.459
  616   2HB   LEU  88          2HB       LEU  88  -0.998  10.899   1.865
  617    HG   LEU  88           HG       LEU  88  -3.128  10.576   3.766
  618   1HD1  LEU  88          3HD1      LEU  88  -3.988  11.137   1.050
  619   2HD1  LEU  88          2HD1      LEU  88  -4.424   9.495   1.523
  620   3HD1  LEU  88          1HD1      LEU  88  -4.965  10.865   2.493
  621   1HD2  LEU  88          1HD2      LEU  88  -1.272   8.980   2.948
  622   2HD2  LEU  88          3HD2      LEU  88  -2.874   8.282   3.192
  623   3HD2  LEU  88          2HD2      LEU  88  -2.320   8.670   1.563
  624    H    ASN  89           H        ASN  89  -1.351  11.501   5.829
  625    HA   ASN  89           HA       ASN  89   1.160  10.043   5.565
  626   1HB   ASN  89          1HB       ASN  89   2.372  11.430   7.263
  627   2HB   ASN  89          2HB       ASN  89   2.079  12.293   5.753
  628   1HD2  ASN  89          2HD2      ASN  89   1.040  14.571   8.506
  629   2HD2  ASN  89          1HD2      ASN  89   2.498  13.874   7.987
  630    H    THR  90           H        THR  90  -0.205   8.345   6.434
  631    HA   THR  90           HA       THR  90  -0.558   8.612   9.378
  632    HB   THR  90           HB       THR  90  -2.768   9.026   8.577
  633    HG1  THR  90           HG1      THR  90  -3.635   7.531   9.765
  634   1HG2  THR  90          2HG2      THR  90  -1.909   7.258   6.440
  635   2HG2  THR  90          1HG2      THR  90  -3.497   6.797   7.053
  636   3HG2  THR  90          3HG2      THR  90  -3.224   8.433   6.454
  637    H    MET  91           H        MET  91  -0.894   6.463  10.416
  638    HA   MET  91           HA       MET  91  -0.088   4.059   8.919
  639   1HB   MET  91          1HB       MET  91   1.895   3.638  10.339
  640   2HB   MET  91          2HB       MET  91   2.098   5.118   9.400
  641   1HG   MET  91          2HG       MET  91   1.172   6.364  11.434
  642   2HG   MET  91          1HG       MET  91   1.388   4.859  12.328
  643   1HE   MET  91          3HE       MET  91   2.273   7.614  12.733
  644   2HE   MET  91          2HE       MET  91   3.449   6.911  13.842
  645   3HE   MET  91          1HE       MET  91   3.990   8.003  12.568
  646    H    PHE  92           H        PHE  92  -0.643   2.193  10.089
  647    HA   PHE  92           HA       PHE  92  -1.425   2.347  12.893
  648   1HB   PHE  92          1HB       PHE  92  -3.816   1.585  12.320
  649   2HB   PHE  92          2HB       PHE  92  -3.448   3.294  12.102
  650    HD1  PHE  92           HD2      PHE  92  -3.058   4.213   9.822
  651    HD2  PHE  92           HD1      PHE  92  -4.272   0.144  10.427
  652    HE1  PHE  92           HE2      PHE  92  -3.713   4.053   7.434
  653    HE2  PHE  92           HE1      PHE  92  -4.923  -0.019   8.042
  654    HZ   PHE  92           HZ       PHE  92  -4.646   1.930   6.545
  655    H    GLU  93           H        GLU  93  -2.832   0.134  13.259
  656    HA   GLU  93           HA       GLU  93  -1.187  -1.987  11.937
  657   1HB   GLU  93          1HB       GLU  93  -0.908  -1.914  14.384
  658   2HB   GLU  93          2HB       GLU  93  -2.656  -2.006  14.603
  659   1HG   GLU  93          1HG       GLU  93  -1.819  -4.152  12.883
  660   2HG   GLU  93          2HG       GLU  93  -0.829  -4.165  14.343
  661    H    TYR  94           H        TYR  94  -2.410  -2.582  10.193
  662    HA   TYR  94           HA       TYR  94  -5.326  -3.005  10.649
  663   1HB   TYR  94          1HB       TYR  94  -4.019  -1.678   8.619
  664   2HB   TYR  94          2HB       TYR  94  -4.325  -3.260   7.901
  665    HD1  TYR  94           HD1      TYR  94  -6.080  -0.691  10.005
  666    HD2  TYR  94           HD2      TYR  94  -6.385  -3.629   6.889
  667    HE1  TYR  94           HE1      TYR  94  -8.461  -0.083   9.663
  668    HE2  TYR  94           HE2      TYR  94  -8.759  -3.019   6.544
  669    HH   TYR  94           HH       TYR  94 -10.528  -1.202   8.742
  670    H    THR  95           H        THR  95  -6.284  -4.968  10.079
  671    HA   THR  95           HA       THR  95  -4.368  -7.218   9.670
  672    HB   THR  95           HB       THR  95  -7.096  -7.346  10.981
  673    HG1  THR  95           HG1      THR  95  -4.574  -7.502  12.241
  674   1HG2  THR  95          1HG2      THR  95  -5.531  -9.338   9.864
  675   2HG2  THR  95          3HG2      THR  95  -5.095  -9.398  11.572
  676   3HG2  THR  95          2HG2      THR  95  -6.780  -9.581  11.086
  677    H    PHE  96           H        PHE  96  -4.501  -7.772   7.533
  678    HA   PHE  96           HA       PHE  96  -6.974  -7.355   6.023
  679   1HB   PHE  96          1HB       PHE  96  -4.394  -8.762   5.264
  680   2HB   PHE  96          2HB       PHE  96  -5.725  -8.446   4.157
  681    HD1  PHE  96           HD1      PHE  96  -6.144  -5.635   5.891
  682    HD2  PHE  96           HD2      PHE  96  -3.024  -7.463   3.562
  683    HE1  PHE  96           HE1      PHE  96  -5.203  -3.400   5.388
  684    HE2  PHE  96           HE2      PHE  96  -2.089  -5.222   3.068
  685    HZ   PHE  96           HZ       PHE  96  -3.177  -3.192   3.980
  686    H    ASP  97           H        ASP  97  -8.635  -8.707   6.505
  687    HA   ASP  97           HA       ASP  97  -8.008 -11.625   6.691
  688   1HB   ASP  97          1HB       ASP  97  -9.165 -10.072   8.652
  689   2HB   ASP  97          2HB       ASP  97 -10.577 -10.730   7.824
  690    H    TYR  98           H        TYR  98  -8.573 -10.076   4.269
  691    HA   TYR  98           HA       TYR  98 -11.333 -10.729   3.543
  692   1HB   TYR  98          1HB       TYR  98 -10.926  -9.582   1.542
  693   2HB   TYR  98          2HB       TYR  98  -9.804  -8.780   2.630
  694    HD1  TYR  98           HD1      TYR  98  -7.742 -11.057   2.764
  695    HD2  TYR  98           HD2      TYR  98  -9.784  -9.196  -0.514
  696    HE1  TYR  98           HE1      TYR  98  -5.884 -11.699   1.255
  697    HE2  TYR  98           HE2      TYR  98  -7.912  -9.823  -2.029
  698    HH   TYR  98           HH       TYR  98  -6.147 -11.502  -2.142
  699    H    GLN  99           H        GLN  99 -11.725 -12.251   1.688
  700    HA   GLN  99           HA       GLN  99 -11.581 -14.784   1.720
  701   1HB   GLN  99          1HB       GLN  99 -10.037 -13.623  -0.603
  702   2HB   GLN  99          2HB       GLN  99 -11.017 -15.089  -0.589
  703   1HG   GLN  99          1HG       GLN  99 -12.840 -13.259   0.278
  704   2HG   GLN  99          2HG       GLN  99 -11.859 -12.263  -0.798
  705   1HE2  GLN  99          2HE2      GLN  99 -13.334 -13.629  -3.674
  706   2HE2  GLN  99          1HE2      GLN  99 -12.503 -12.340  -2.947
  707    H    MET 100           H        MET 100  -9.901 -14.883   3.613
  708    HA   MET 100           HA       MET 100  -7.799 -16.660   2.892
  709   1HB   MET 100          1HB       MET 100  -7.156 -14.043   2.181
  710   2HB   MET 100          2HB       MET 100  -6.366 -14.252   3.746
  711   1HG   MET 100          2HG       MET 100  -5.091 -16.092   2.996
  712   2HG   MET 100          1HG       MET 100  -6.139 -16.363   1.604
  713   1HE   MET 100          1HE       MET 100  -3.827 -13.801   3.361
  714   2HE   MET 100          3HE       MET 100  -3.589 -12.573   2.112
  715   3HE   MET 100          2HE       MET 100  -5.188 -12.829   2.806
  716    H    THR 101           H        THR 101  -5.864 -15.887   4.837
  717    HA   THR 101           HA       THR 101  -7.368 -16.510   7.316
  718    HB   THR 101           HB       THR 101  -4.552 -16.359   7.774
  719    HG1  THR 101           HG1      THR 101  -3.880 -17.848   6.169
  720   1HG2  THR 101          1HG2      THR 101  -6.549 -17.946   8.554
  721   2HG2  THR 101          3HG2      THR 101  -5.924 -18.958   7.253
  722   3HG2  THR 101          2HG2      THR 101  -4.872 -18.492   8.591
  723    HA   PRO 102           HA       PRO 102  -6.633 -12.557   9.133
  724   1HB   PRO 102          1HB       PRO 102  -5.587 -13.092  11.619
  725   2HB   PRO 102          2HB       PRO 102  -7.287 -13.353  11.192
  726   1HG   PRO 102          1HG       PRO 102  -5.121 -15.360  11.573
  727   2HG   PRO 102          2HG       PRO 102  -6.873 -15.554  11.742
  728   1HD   PRO 102          1HD       PRO 102  -5.303 -16.389   9.539
  729   2HD   PRO 102          2HD       PRO 102  -7.077 -16.314   9.589
  730    H    THR 103           H        THR 103  -5.031 -11.395   8.077
  731    HA   THR 103           HA       THR 103  -2.189 -12.021   8.743
  732    HB   THR 103           HB       THR 103  -3.546 -10.772   6.357
  733    HG1  THR 103           HG1      THR 103  -2.198 -12.265   5.315
  734   1HG2  THR 103          3HG2      THR 103  -0.878 -10.032   7.438
  735   2HG2  THR 103          2HG2      THR 103  -0.916 -10.437   5.722
  736   3HG2  THR 103          1HG2      THR 103  -1.937  -9.141   6.343
  737    H    LYS 104           H        LYS 104  -0.994 -10.522   9.841
  738    HA   LYS 104           HA       LYS 104  -2.349  -7.955  10.534
  739   1HB   LYS 104          1HB       LYS 104  -1.167  -9.688  12.248
  740   2HB   LYS 104          2HB       LYS 104   0.252  -8.748  11.797
  741   1HG   LYS 104          1HG       LYS 104  -0.471  -7.396  13.494
  742   2HG   LYS 104          2HG       LYS 104  -1.493  -6.732  12.217
  743   1HD   LYS 104          1HD       LYS 104  -3.204  -7.216  13.633
  744   2HD   LYS 104          2HD       LYS 104  -2.990  -8.869  13.057
  745   1HE   LYS 104          1HE       LYS 104  -1.060  -8.704  15.003
  746   2HE   LYS 104          2HE       LYS 104  -2.340  -7.698  15.681
  747   1HZ   LYS 104          1HZ       LYS 104  -3.753  -9.762  14.785
  748   2HZ   LYS 104          3HZ       LYS 104  -2.302 -10.554  15.165
  749   3HZ   LYS 104          2HZ       LYS 104  -3.126  -9.674  16.361
  750    H    VAL 105           H        VAL 105  -1.117  -5.960  10.144
  751    HA   VAL 105           HA       VAL 105   1.458  -6.268   8.746
  752    HB   VAL 105           HB       VAL 105   0.691  -5.001   6.757
  753   1HG1  VAL 105          1HG1      VAL 105   0.759  -7.506   6.790
  754   2HG1  VAL 105          3HG1      VAL 105  -0.944  -7.510   7.252
  755   3HG1  VAL 105          2HG1      VAL 105  -0.458  -6.867   5.685
  756   1HG2  VAL 105          3HG2      VAL 105  -1.324  -4.019   8.023
  757   2HG2  VAL 105          2HG2      VAL 105  -1.595  -4.512   6.354
  758   3HG2  VAL 105          1HG2      VAL 105  -2.135  -5.545   7.677
  759    H    LYS 106           H        LYS 106   2.688  -4.453   8.747
  760    HA   LYS 106           HA       LYS 106   1.858  -2.188  10.454
  761   1HB   LYS 106          1HB       LYS 106   4.347  -3.327   9.495
  762   2HB   LYS 106          2HB       LYS 106   4.278  -1.627   9.049
  763   1HG   LYS 106          1HG       LYS 106   5.022  -1.238  11.134
  764   2HG   LYS 106          2HG       LYS 106   3.375  -1.610  11.649
  765   1HD   LYS 106          1HD       LYS 106   4.052  -4.052  11.734
  766   2HD   LYS 106          2HD       LYS 106   5.717  -3.528  11.477
  767   1HE   LYS 106          1HE       LYS 106   4.425  -1.997  13.596
  768   2HE   LYS 106          2HE       LYS 106   4.416  -3.727  13.942
  769   1HZ   LYS 106          3HZ       LYS 106   6.870  -3.570  13.165
  770   2HZ   LYS 106          2HZ       LYS 106   6.701  -1.922  13.540
  771   3HZ   LYS 106          1HZ       LYS 106   6.457  -3.100  14.741
  772    H    VAL 107           H        VAL 107   0.236  -1.087   9.189
  773    HA   VAL 107           HA       VAL 107   0.810  -0.782   6.322
  774    HB   VAL 107           HB       VAL 107  -1.443   0.269   6.265
  775   1HG1  VAL 107          2HG1      VAL 107  -1.065  -2.271   6.406
  776   2HG1  VAL 107          1HG1      VAL 107  -1.653  -2.111   8.062
  777   3HG1  VAL 107          3HG1      VAL 107  -2.689  -1.651   6.712
  778   1HG2  VAL 107          3HG2      VAL 107  -0.831   0.661   9.030
  779   2HG2  VAL 107          2HG2      VAL 107  -2.157   1.334   8.103
  780   3HG2  VAL 107          1HG2      VAL 107  -2.338  -0.233   8.893
  781    H    HIS 108           H        HIS 108   0.996   1.220   5.290
  782    HA   HIS 108           HA       HIS 108   1.211   3.673   6.942
  783   1HB   HIS 108          1HB       HIS 108   3.490   2.744   7.006
  784   2HB   HIS 108          2HB       HIS 108   3.505   2.629   5.246
  785    HD1  HIS 108           HD1      HIS 108   5.689   4.322   6.017
  786    HD2  HIS 108           HD2      HIS 108   1.830   5.898   5.936
  787    HE1  HIS 108           HE1      HIS 108   5.945   6.838   5.870
  788    H    MET 109           H        MET 109  -0.271   4.862   5.800
  789    HA   MET 109           HA       MET 109  -0.169   4.695   2.831
  790   1HB   MET 109          1HB       MET 109  -2.288   6.095   4.467
  791   2HB   MET 109          2HB       MET 109  -2.420   5.462   2.827
  792   1HG   MET 109          2HG       MET 109  -1.976   3.136   3.876
  793   2HG   MET 109          1HG       MET 109  -2.310   3.903   5.427
  794   1HE   MET 109          3HE       MET 109  -3.952   5.581   5.621
  795   2HE   MET 109          2HE       MET 109  -5.162   5.996   4.409
  796   3HE   MET 109          1HE       MET 109  -5.584   4.905   5.728
  797    H    LYS 110           H        LYS 110   1.034   6.377   1.784
  798    HA   LYS 110           HA       LYS 110   0.772   9.079   3.119
  799   1HB   LYS 110          1HB       LYS 110   3.069   7.467   3.286
  800   2HB   LYS 110          2HB       LYS 110   3.451   8.682   2.071
  801   1HG   LYS 110          1HG       LYS 110   2.492  10.367   3.788
  802   2HG   LYS 110          2HG       LYS 110   2.700   9.068   4.959
  803   1HD   LYS 110          1HD       LYS 110   4.840   9.755   5.151
  804   2HD   LYS 110          2HD       LYS 110   5.095   9.085   3.539
  805   1HE   LYS 110          1HE       LYS 110   5.415  11.146   2.696
  806   2HE   LYS 110          2HE       LYS 110   3.842  11.665   3.299
  807   1HZ   LYS 110          3HZ       LYS 110   5.017  11.849   5.537
  808   2HZ   LYS 110          2HZ       LYS 110   6.465  11.788   4.650
  809   3HZ   LYS 110          1HZ       LYS 110   5.351  13.041   4.378
  810    H    LYS 111           H        LYS 111   0.898  10.811   1.662
  811    HA   LYS 111           HA       LYS 111   0.072  10.432  -0.998
  812   1HB   LYS 111          1HB       LYS 111   0.949  12.811  -1.332
  813   2HB   LYS 111          2HB       LYS 111  -0.215  12.598  -0.022
  814   1HG   LYS 111          1HG       LYS 111   1.321  13.079   1.584
  815   2HG   LYS 111          2HG       LYS 111   2.592  12.168   0.770
  816   1HD   LYS 111          1HD       LYS 111   2.807  14.035  -0.882
  817   2HD   LYS 111          2HD       LYS 111   1.642  14.959   0.069
  818   1HE   LYS 111          1HE       LYS 111   3.128  15.338   1.778
  819   2HE   LYS 111          2HE       LYS 111   3.953  13.796   1.544
  820   1HZ   LYS 111          3HZ       LYS 111   4.632  14.932  -0.701
  821   2HZ   LYS 111          2HZ       LYS 111   4.366  16.356   0.186
  822   3HZ   LYS 111          1HZ       LYS 111   5.507  15.218   0.723
  823    H    ALA 112           H        ALA 112   1.173  10.145  -2.915
  824    HA   ALA 112           HA       ALA 112   4.022   9.419  -2.668
  825   1HB   ALA 112          1HB       ALA 112   1.974   8.284  -4.033
  826   2HB   ALA 112          3HB       ALA 112   2.686   9.280  -5.303
  827   3HB   ALA 112          2HB       ALA 112   3.669   8.077  -4.468
  828    H    LEU 113           H        LEU 113   5.591  10.278  -4.269
  829    HA   LEU 113           HA       LEU 113   5.187  13.177  -4.611
  830   1HB   LEU 113          1HB       LEU 113   7.441  11.397  -4.294
  831   2HB   LEU 113          2HB       LEU 113   7.670  12.419  -5.714
  832    HG   LEU 113           HG       LEU 113   6.599  13.822  -3.347
  833   1HD1  LEU 113          2HD1      LEU 113   9.072  12.205  -3.228
  834   2HD1  LEU 113          1HD1      LEU 113   9.256  13.884  -2.717
  835   3HD1  LEU 113          3HD1      LEU 113   8.080  12.842  -1.917
  836   1HD2  LEU 113          2HD2      LEU 113   7.387  14.792  -5.585
  837   2HD2  LEU 113          1HD2      LEU 113   8.039  15.559  -4.138
  838   3HD2  LEU 113          3HD2      LEU 113   9.027  14.421  -5.053
  839    H    SER 114           H        SER 114   4.624  10.442  -6.519
  840    HA   SER 114           HA       SER 114   5.541  11.178  -9.075
  841   1HB   SER 114          1HB       SER 114   3.360   9.998  -9.856
  842   2HB   SER 114          2HB       SER 114   4.536   9.056  -8.945
  843    HG   SER 114           HG       SER 114   2.514   8.747  -8.043
  844    H    GLY 115           H        GLY 115   2.820  12.420  -7.217
  845   1HA   GLY 115          1HA       GLY 115   2.532  14.926  -8.044
  846   2HA   GLY 115          2HA       GLY 115   1.981  14.112  -9.509
  847    H    ASP 116           H        ASP 116   1.248  14.671  -6.104
  848    HA   ASP 116           HA       ASP 116  -0.768  14.449  -4.922
  849   1HB   ASP 116          1HB       ASP 116  -1.903  14.678  -7.729
  850   2HB   ASP 116          2HB       ASP 116  -2.829  14.862  -6.239
  851    H    SER 117           H        SER 117   0.298  12.083  -4.916
  852    HA   SER 117           HA       SER 117  -1.762  10.210  -6.014
  853   1HB   SER 117          1HB       SER 117   1.101  10.193  -6.234
  854   2HB   SER 117          2HB       SER 117   0.591   8.780  -5.313
  855    HG   SER 117           HG       SER 117   0.581   8.882  -7.822
  856    H    TYR 118           H        TYR 118  -1.353   7.979  -4.607
  857    HA   TYR 118           HA       TYR 118  -1.128   8.594  -1.726
  858   1HB   TYR 118          1HB       TYR 118  -3.653   7.307  -2.793
  859   2HB   TYR 118          2HB       TYR 118  -3.374   7.917  -1.158
  860    HD1  TYR 118           HD2      TYR 118  -3.156  10.389  -0.796
  861    HD2  TYR 118           HD1      TYR 118  -4.355   8.679  -4.546
  862    HE1  TYR 118           HE2      TYR 118  -4.060  12.576  -1.508
  863    HE2  TYR 118           HE1      TYR 118  -5.261  10.851  -5.253
  864    HH   TYR 118           HH       TYR 118  -4.538  13.742  -3.734
  865    H    TRP 119           H        TRP 119   0.224   6.942  -1.090
  866    HA   TRP 119           HA       TRP 119  -0.345   4.277  -2.234
  867   1HB   TRP 119          1HB       TRP 119   2.050   3.727  -1.909
  868   2HB   TRP 119          2HB       TRP 119   1.736   4.946  -3.132
  869    HD1  TRP 119           HD1      TRP 119   3.030   7.118  -2.883
  870    HE1  TRP 119           HE1      TRP 119   4.564   8.150  -1.097
  871    HE3  TRP 119           HE3      TRP 119   2.238   3.822   0.723
  872    HZ2  TRP 119           HZ2      TRP 119   5.365   7.556   1.618
  873    HZ3  TRP 119           HZ3      TRP 119   3.379   3.987   2.947
  874    HH2  TRP 119           HH2      TRP 119   4.941   5.859   3.386
  875    H    VAL 120           H        VAL 120   0.359   2.427  -0.900
  876    HA   VAL 120           HA       VAL 120   0.242   2.965   2.005
  877    HB   VAL 120           HB       VAL 120  -1.734   1.166   0.542
  878   1HG1  VAL 120          1HG1      VAL 120  -0.953   1.507   3.418
  879   2HG1  VAL 120          3HG1      VAL 120  -2.637   1.156   3.026
  880   3HG1  VAL 120          2HG1      VAL 120  -1.367   0.035   2.539
  881   1HG2  VAL 120          1HG2      VAL 120  -1.897   3.859   1.868
  882   2HG2  VAL 120          3HG2      VAL 120  -2.584   3.339   0.332
  883   3HG2  VAL 120          2HG2      VAL 120  -3.307   2.804   1.848
  884    H    PHE 121           H        PHE 121   2.162   1.981   2.492
  885    HA   PHE 121           HA       PHE 121   2.928  -0.549   1.229
  886   1HB   PHE 121          1HB       PHE 121   4.300   0.834   3.563
  887   2HB   PHE 121          2HB       PHE 121   5.001  -0.339   2.443
  888    HD1  PHE 121           HD1      PHE 121   3.436   0.980   0.003
  889    HD2  PHE 121           HD2      PHE 121   6.077   2.470   3.033
  890    HE1  PHE 121           HE1      PHE 121   4.084   2.837  -1.495
  891    HE2  PHE 121           HE2      PHE 121   6.705   4.350   1.545
  892    HZ   PHE 121           HZ       PHE 121   5.712   4.519  -0.721
  893    H    VAL 122           H        VAL 122   2.463  -2.485   2.096
  894    HA   VAL 122           HA       VAL 122   1.431  -2.474   4.877
  895    HB   VAL 122           HB       VAL 122   0.614  -3.938   2.384
  896   1HG1  VAL 122          1HG1      VAL 122   1.006  -5.302   4.961
  897   2HG1  VAL 122          3HG1      VAL 122  -0.643  -5.413   4.362
  898   3HG1  VAL 122          2HG1      VAL 122   0.699  -5.981   3.370
  899   1HG2  VAL 122          1HG2      VAL 122  -0.508  -2.004   3.878
  900   2HG2  VAL 122          3HG2      VAL 122  -1.461  -3.173   2.964
  901   3HG2  VAL 122          2HG2      VAL 122  -1.186  -3.415   4.689
  902    H    LYS 123           H        LYS 123   2.949  -3.177   6.173
  903    HA   LYS 123           HA       LYS 123   5.076  -5.009   5.217
  904   1HB   LYS 123          1HB       LYS 123   5.153  -2.961   7.022
  905   2HB   LYS 123          2HB       LYS 123   4.910  -4.340   8.098
  906   1HG   LYS 123          1HG       LYS 123   7.028  -5.085   7.791
  907   2HG   LYS 123          2HG       LYS 123   6.939  -4.848   6.044
  908   1HD   LYS 123          1HD       LYS 123   7.432  -2.527   6.246
  909   2HD   LYS 123          2HD       LYS 123   7.228  -2.548   7.990
  910   1HE   LYS 123          1HE       LYS 123   9.486  -3.617   6.315
  911   2HE   LYS 123          2HE       LYS 123   9.555  -2.522   7.691
  912   1HZ   LYS 123          3HZ       LYS 123   8.664  -4.451   9.034
  913   2HZ   LYS 123          2HZ       LYS 123   9.031  -5.437   7.701
  914   3HZ   LYS 123          1HZ       LYS 123  10.268  -4.588   8.499
  915    H    ARG 124           H        ARG 124   5.464  -7.063   6.440
  916    HA   ARG 124           HA       ARG 124   2.817  -8.162   7.304
  917   1HB   ARG 124          1HB       ARG 124   3.742  -9.335   5.376
  918   2HB   ARG 124          2HB       ARG 124   5.273  -9.585   6.214
  919   1HG   ARG 124          1HG       ARG 124   4.457 -11.323   7.450
  920   2HG   ARG 124          2HG       ARG 124   2.882 -10.556   7.662
  921   1HD   ARG 124          1HD       ARG 124   2.017 -11.787   5.989
  922   2HD   ARG 124          2HD       ARG 124   3.254 -11.197   4.882
  923    HE   ARG 124           HE       ARG 124   4.336 -13.266   5.124
  924   1HH1  ARG 124          1HH2      ARG 124   1.615 -13.276   7.114
  925   2HH1  ARG 124          2HH2      ARG 124   2.189 -14.516   8.176
  926   1HH2  ARG 124          2HH1      ARG 124   5.366 -14.610   6.797
  927   2HH2  ARG 124          1HH1      ARG 124   4.304 -15.273   7.994
  928    H    VAL 125           H        VAL 125   2.555  -8.496   9.400
  929    HA   VAL 125           HA       VAL 125   4.972  -8.935  11.111
  930    HB   VAL 125           HB       VAL 125   3.038  -8.182  12.894
  931   1HG1  VAL 125          2HG1      VAL 125   5.465  -7.269  12.145
  932   2HG1  VAL 125          1HG1      VAL 125   4.464  -5.952  11.530
  933   3HG1  VAL 125          3HG1      VAL 125   4.411  -6.372  13.240
  934   1HG2  VAL 125          2HG2      VAL 125   1.559  -7.706  10.860
  935   2HG2  VAL 125          1HG2      VAL 125   1.700  -6.419  12.050
  936   3HG2  VAL 125          3HG2      VAL 125   2.614  -6.336  10.543
  937    H2   HC4  69           H2       HC4  69  -6.784  -5.000   2.894
  938    H3   HC4  69           H3       HC4  69  -7.986  -7.343   1.344
  939    H2'  HC4  69           H2'      HC4  69  -6.416  -8.296  -0.297
  940    H3'  HC4  69           H3'      HC4  69  -4.211  -8.344  -1.432
  941    H5'  HC4  69           H5'      HC4  69  -2.903  -4.993   0.948
  942    H6'  HC4  69           H6'      HC4  69  -5.117  -4.940   2.059
   
  No H/Q in entry =         942
  Start of MODEL   25
    1   1H    MET   1           H3       MET   1  15.076   3.273   7.153
    2   2H    MET   1           H2       MET   1  15.859   2.453   5.888
    3   3H    MET   1           H1       MET   1  16.405   2.273   7.486
    4    HA   MET   1           HA       MET   1  17.457   4.272   7.532
    5   1HB   MET   1          1HB       MET   1  17.359   3.455   4.616
    6   2HB   MET   1          2HB       MET   1  18.462   4.677   5.248
    7   1HG   MET   1          2HG       MET   1  19.714   3.134   6.435
    8   2HG   MET   1          1HG       MET   1  18.357   2.023   6.626
    9   1HE   MET   1          3HE       MET   1  21.436   2.253   5.708
   10   2HE   MET   1          2HE       MET   1  21.129   0.519   5.657
   11   3HE   MET   1          1HE       MET   1  21.775   1.334   4.235
   12    H    GLU   2           H        GLU   2  17.306   6.517   7.301
   13    HA   GLU   2           HA       GLU   2  16.300   8.579   6.816
   14   1HB   GLU   2          1HB       GLU   2  16.251   7.179   4.414
   15   2HB   GLU   2          2HB       GLU   2  14.573   7.675   4.638
   16   1HG   GLU   2          1HG       GLU   2  16.581   9.754   5.261
   17   2HG   GLU   2          2HG       GLU   2  16.494   9.283   3.563
   18    H    HIS   3           H        HIS   3  14.900   6.187   8.292
   19    HA   HIS   3           HA       HIS   3  12.877   5.925   9.451
   20   1HB   HIS   3          1HB       HIS   3  13.432   8.412   9.865
   21   2HB   HIS   3          2HB       HIS   3  12.226   8.756   8.625
   22    HD1  HIS   3           HD1      HIS   3  12.406   6.566  11.759
   23    HD2  HIS   3           HD2      HIS   3   9.728   9.040   9.736
   24    HE1  HIS   3           HE1      HIS   3  10.286   6.614  13.147
   25    H    VAL   4           H        VAL   4  12.997   5.330   6.537
   26    HA   VAL   4           HA       VAL   4  10.506   6.219   5.354
   27    HB   VAL   4           HB       VAL   4  10.949   4.540   3.631
   28   1HG1  VAL   4          3HG1      VAL   4  13.343   6.098   4.594
   29   2HG1  VAL   4          2HG1      VAL   4  13.338   5.214   3.067
   30   3HG1  VAL   4          1HG1      VAL   4  12.200   6.535   3.326
   31   1HG2  VAL   4          2HG2      VAL   4  12.951   3.534   5.654
   32   2HG2  VAL   4          1HG2      VAL   4  11.682   2.639   4.829
   33   3HG2  VAL   4          3HG2      VAL   4  13.108   3.158   3.939
   34    H    ALA   5           H        ALA   5   8.523   5.457   5.820
   35    HA   ALA   5           HA       ALA   5   6.876   4.173   6.940
   36   1HB   ALA   5          2HB       ALA   5   7.623   3.069   4.629
   37   2HB   ALA   5          1HB       ALA   5   8.140   1.766   5.699
   38   3HB   ALA   5          3HB       ALA   5   6.453   2.278   5.684
   39    H    PHE   6           H        PHE   6   6.970   1.447   7.609
   40    HA   PHE   6           HA       PHE   6   7.907   1.460  10.293
   41   1HB   PHE   6          1HB       PHE   6   7.909  -1.199   9.018
   42   2HB   PHE   6          2HB       PHE   6   7.049  -0.648  10.445
   43    HD1  PHE   6           HD2      PHE   6   4.856   0.397  10.271
   44    HD2  PHE   6           HD1      PHE   6   6.877  -1.047   6.764
   45    HE1  PHE   6           HE2      PHE   6   2.756   0.538   8.983
   46    HE2  PHE   6           HE1      PHE   6   4.781  -0.931   5.470
   47    HZ   PHE   6           HZ       PHE   6   2.717  -0.115   6.595
   48    H    GLY   7           H        GLY   7   9.456   0.703   7.288
   49   1HA   GLY   7          1HA       GLY   7  12.102   0.974   8.121
   50   2HA   GLY   7          2HA       GLY   7  11.708  -0.731   8.359
   51    H    SER   8           H        SER   8  10.378   1.297   5.824
   52    HA   SER   8           HA       SER   8  10.891  -0.598   3.770
   53   1HB   SER   8          1HB       SER   8  10.579   1.784   2.433
   54   2HB   SER   8          2HB       SER   8   9.255   0.751   2.948
   55    HG   SER   8           HG       SER   8   9.310   3.080   3.610
   56    H    GLU   9           H        GLU   9  11.916   0.631   1.641
   57    HA   GLU   9           HA       GLU   9  14.700   1.432   2.398
   58   1HB   GLU   9          1HB       GLU   9  13.694  -0.638   0.477
   59   2HB   GLU   9          2HB       GLU   9  15.136   0.275   0.027
   60   1HG   GLU   9          1HG       GLU   9  16.359  -0.498   1.892
   61   2HG   GLU   9          2HG       GLU   9  14.901  -0.984   2.758
   62    H    ASP  10           H        ASP  10  13.086   3.508   2.051
   63    HA   ASP  10           HA       ASP  10  12.693   5.406   0.714
   64   1HB   ASP  10          1HB       ASP  10  15.192   4.288  -0.167
   65   2HB   ASP  10          2HB       ASP  10  14.296   4.837  -1.584
   66    H    ILE  11           H        ILE  11  10.565   4.211   0.413
   67    HA   ILE  11           HA       ILE  11  10.220   2.725  -2.051
   68    HB   ILE  11           HB       ILE  11   7.956   3.799  -0.502
   69   1HG1  ILE  11          1HG1      ILE  11   9.428   2.978   1.254
   70   2HG1  ILE  11          2HG1      ILE  11   8.135   1.810   1.010
   71   1HG2  ILE  11          3HG2      ILE  11   8.305   1.979  -2.591
   72   2HG2  ILE  11          2HG2      ILE  11   7.895   1.012  -1.179
   73   3HG2  ILE  11          1HG2      ILE  11   6.818   2.300  -1.706
   74   1HD1  ILE  11          1HD1      ILE  11   9.728   0.698  -0.685
   75   2HD1  ILE  11          3HD1      ILE  11  10.991   1.634   0.115
   76   3HD1  ILE  11          2HD1      ILE  11  10.030   0.482   1.030
   77    H    GLU  12           H        GLU  12   8.718   5.770  -0.892
   78    HA   GLU  12           HA       GLU  12   7.516   6.490  -3.275
   79   1HB   GLU  12          1HB       GLU  12   7.619   7.756  -0.989
   80   2HB   GLU  12          2HB       GLU  12   8.988   8.603  -1.711
   81   1HG   GLU  12          1HG       GLU  12   7.444   9.032  -3.724
   82   2HG   GLU  12          2HG       GLU  12   6.123   8.538  -2.666
   83    H    ASN  13           H        ASN  13  10.955   6.426  -2.660
   84    HA   ASN  13           HA       ASN  13  11.544   8.038  -5.066
   85   1HB   ASN  13          1HB       ASN  13  13.171   6.813  -2.860
   86   2HB   ASN  13          2HB       ASN  13  13.962   7.239  -4.380
   87   1HD2  ASN  13          2HD2      ASN  13  14.267  10.559  -3.245
   88   2HD2  ASN  13          1HD2      ASN  13  15.016   9.203  -3.940
   89    H    THR  14           H        THR  14  11.866   4.652  -3.960
   90    HA   THR  14           HA       THR  14  13.063   3.703  -6.409
   91    HB   THR  14           HB       THR  14  11.799   2.481  -3.974
   92    HG1  THR  14           HG1      THR  14  13.916   2.571  -3.819
   93   1HG2  THR  14          3HG2      THR  14  12.273   0.900  -6.523
   94   2HG2  THR  14          2HG2      THR  14  11.879   0.216  -4.946
   95   3HG2  THR  14          1HG2      THR  14  10.702   1.220  -5.792
   96    H    LEU  15           H        LEU  15   9.797   3.421  -5.125
   97    HA   LEU  15           HA       LEU  15   8.292   2.320  -7.112
   98   1HB   LEU  15          1HB       LEU  15   7.519   4.885  -5.676
   99   2HB   LEU  15          2HB       LEU  15   6.412   3.727  -6.403
  100    HG   LEU  15           HG       LEU  15   8.321   2.953  -4.201
  101   1HD1  LEU  15          3HD1      LEU  15   6.087   4.702  -3.985
  102   2HD1  LEU  15          2HD1      LEU  15   5.651   3.163  -3.245
  103   3HD1  LEU  15          1HD1      LEU  15   7.079   4.034  -2.692
  104   1HD2  LEU  15          2HD2      LEU  15   6.868   1.394  -5.867
  105   2HD2  LEU  15          1HD2      LEU  15   7.228   0.945  -4.198
  106   3HD2  LEU  15          3HD2      LEU  15   5.677   1.686  -4.597
  107    H    ALA  16           H        ALA  16   9.745   5.529  -7.184
  108    HA   ALA  16           HA       ALA  16   8.390   6.255  -9.688
  109   1HB   ALA  16          1HB       ALA  16   9.239   7.795  -7.694
  110   2HB   ALA  16          3HB       ALA  16  10.738   7.772  -8.623
  111   3HB   ALA  16          2HB       ALA  16   9.254   8.378  -9.359
  112    H    LYS  17           H        LYS  17  11.864   6.137  -8.799
  113    HA   LYS  17           HA       LYS  17  12.520   5.613 -11.627
  114   1HB   LYS  17          1HB       LYS  17  13.845   6.844  -9.419
  115   2HB   LYS  17          2HB       LYS  17  14.828   5.473  -9.931
  116   1HG   LYS  17          1HG       LYS  17  13.698   7.205 -12.078
  117   2HG   LYS  17          2HG       LYS  17  15.017   7.873 -11.116
  118   1HD   LYS  17          1HD       LYS  17  16.524   6.583 -12.180
  119   2HD   LYS  17          2HD       LYS  17  15.592   5.128 -11.824
  120   1HE   LYS  17          1HE       LYS  17  14.612   6.961 -13.982
  121   2HE   LYS  17          2HE       LYS  17  15.977   5.900 -14.330
  122   1HZ   LYS  17          1HZ       LYS  17  13.602   4.780 -13.022
  123   2HZ   LYS  17          3HZ       LYS  17  13.548   5.082 -14.690
  124   3HZ   LYS  17          2HZ       LYS  17  14.721   4.030 -14.056
  125    H    MET  18           H        MET  18  11.136   3.473 -10.883
  126    HA   MET  18           HA       MET  18  13.194   1.401 -10.244
  127   1HB   MET  18          1HB       MET  18  11.578   1.373  -8.482
  128   2HB   MET  18          2HB       MET  18  10.237   1.531  -9.611
  129   1HG   MET  18          2HG       MET  18  11.997  -0.830 -10.004
  130   2HG   MET  18          1HG       MET  18  10.996  -0.845  -8.550
  131   1HE   MET  18          2HE       MET  18   8.877   0.289  -8.604
  132   2HE   MET  18          1HE       MET  18   7.989   0.767 -10.050
  133   3HE   MET  18          3HE       MET  18   7.642  -0.779  -9.264
  134    H    ASP  19           H        ASP  19  13.150  -0.502 -11.552
  135    HA   ASP  19           HA       ASP  19  11.815  -0.085 -14.180
  136   1HB   ASP  19          1HB       ASP  19  14.349  -0.516 -13.942
  137   2HB   ASP  19          2HB       ASP  19  13.900  -2.179 -13.563
  138    H    ASP  20           H        ASP  20  12.605  -2.892 -12.079
  139    HA   ASP  20           HA       ASP  20   9.840  -3.791 -12.089
  140   1HB   ASP  20          1HB       ASP  20  11.250  -4.468 -14.362
  141   2HB   ASP  20          2HB       ASP  20  11.492  -5.882 -13.335
  142    H    GLY  21           H        GLY  21  13.206  -4.978 -11.794
  143   1HA   GLY  21          1HA       GLY  21  12.406  -6.662  -9.507
  144   2HA   GLY  21          2HA       GLY  21  14.007  -6.615 -10.246
  145    H    GLN  22           H        GLN  22  11.820  -4.372  -8.516
  146    HA   GLN  22           HA       GLN  22  14.021  -3.738  -6.651
  147   1HB   GLN  22          1HB       GLN  22  12.912  -1.850  -8.677
  148   2HB   GLN  22          2HB       GLN  22  13.277  -1.212  -7.075
  149   1HG   GLN  22          1HG       GLN  22  15.554  -2.445  -7.360
  150   2HG   GLN  22          2HG       GLN  22  15.147  -2.463  -9.077
  151   1HE2  GLN  22          2HE2      GLN  22  15.467   1.095  -9.446
  152   2HE2  GLN  22          1HE2      GLN  22  14.684  -0.269 -10.084
  153    H    LEU  23           H        LEU  23  10.673  -3.083  -7.648
  154    HA   LEU  23           HA       LEU  23   9.925  -2.311  -4.927
  155   1HB   LEU  23          1HB       LEU  23   7.819  -1.739  -5.793
  156   2HB   LEU  23          2HB       LEU  23   8.903  -1.410  -7.138
  157    HG   LEU  23           HG       LEU  23   7.353  -4.002  -6.815
  158   1HD1  LEU  23          3HD1      LEU  23   6.437  -1.412  -7.602
  159   2HD1  LEU  23          2HD1      LEU  23   6.485  -2.433  -9.038
  160   3HD1  LEU  23          1HD1      LEU  23   5.551  -2.937  -7.631
  161   1HD2  LEU  23          1HD2      LEU  23   9.192  -2.836  -8.887
  162   2HD2  LEU  23          3HD2      LEU  23   9.142  -4.477  -8.244
  163   3HD2  LEU  23          2HD2      LEU  23   7.911  -3.939  -9.387
  164    H    ASP  24           H        ASP  24  10.290  -5.269  -6.578
  165    HA   ASP  24           HA       ASP  24   8.240  -6.653  -4.953
  166   1HB   ASP  24          1HB       ASP  24  10.227  -7.882  -6.880
  167   2HB   ASP  24          2HB       ASP  24   8.727  -8.594  -6.284
  168    H    GLY  25           H        GLY  25  11.347  -5.614  -4.404
  169   1HA   GLY  25          1HA       GLY  25  12.122  -8.029  -2.848
  170   2HA   GLY  25          2HA       GLY  25  13.201  -6.696  -3.262
  171    H    LEU  26           H        LEU  26   9.946  -6.274  -1.991
  172    HA   LEU  26           HA       LEU  26  11.153  -5.215   0.513
  173   1HB   LEU  26          1HB       LEU  26   8.682  -4.205  -0.933
  174   2HB   LEU  26          2HB       LEU  26   9.349  -3.545   0.559
  175    HG   LEU  26           HG       LEU  26  11.555  -3.481  -1.036
  176   1HD1  LEU  26          3HD1      LEU  26   9.139  -3.000  -2.805
  177   2HD1  LEU  26          2HD1      LEU  26  10.791  -2.548  -3.225
  178   3HD1  LEU  26          1HD1      LEU  26  10.367  -4.248  -3.022
  179   1HD2  LEU  26          2HD2      LEU  26   9.351  -1.441  -0.658
  180   2HD2  LEU  26          1HD2      LEU  26  10.866  -1.577   0.237
  181   3HD2  LEU  26          3HD2      LEU  26  10.879  -1.047  -1.445
  182    H    ALA  27           H        ALA  27   9.977  -5.621   2.400
  183    HA   ALA  27           HA       ALA  27   8.354  -8.056   2.357
  184   1HB   ALA  27          3HB       ALA  27   9.772  -6.447   4.374
  185   2HB   ALA  27          2HB       ALA  27   8.258  -7.147   4.947
  186   3HB   ALA  27          1HB       ALA  27   9.523  -8.191   4.297
  187    H    PHE  28           H        PHE  28   7.489  -5.029   1.578
  188    HA   PHE  28           HA       PHE  28   4.784  -5.385   2.752
  189   1HB   PHE  28          1HB       PHE  28   4.756  -2.749   2.652
  190   2HB   PHE  28          2HB       PHE  28   5.453  -3.567   4.042
  191    HD1  PHE  28           HD2      PHE  28   7.935  -3.839   4.187
  192    HD2  PHE  28           HD1      PHE  28   6.102  -1.447   1.177
  193    HE1  PHE  28           HE2      PHE  28  10.124  -2.781   3.734
  194    HE2  PHE  28           HE1      PHE  28   8.287  -0.374   0.701
  195    HZ   PHE  28           HZ       PHE  28  10.304  -1.039   1.997
  196    H    GLY  29           H        GLY  29   3.078  -4.620   1.422
  197   1HA   GLY  29          1HA       GLY  29   3.698  -4.668  -1.436
  198   2HA   GLY  29          2HA       GLY  29   2.093  -4.510  -0.723
  199    H    ALA  30           H        ALA  30   4.462  -2.800  -2.386
  200    HA   ALA  30           HA       ALA  30   3.670  -0.230  -1.151
  201   1HB   ALA  30          3HB       ALA  30   5.738  -0.963  -3.230
  202   2HB   ALA  30          2HB       ALA  30   5.249   0.713  -2.972
  203   3HB   ALA  30          1HB       ALA  30   5.990  -0.202  -1.659
  204    H    ILE  31           H        ILE  31   1.558   0.062  -1.745
  205    HA   ILE  31           HA       ILE  31   0.932  -0.235  -4.637
  206    HB   ILE  31           HB       ILE  31  -1.364  -0.472  -4.019
  207   1HG1  ILE  31          1HG1      ILE  31  -1.819  -0.324  -1.408
  208   2HG1  ILE  31          2HG1      ILE  31  -0.443   0.781  -1.457
  209   1HG2  ILE  31          1HG2      ILE  31   0.092  -2.429  -3.553
  210   2HG2  ILE  31          3HG2      ILE  31   0.306  -1.855  -1.900
  211   3HG2  ILE  31          2HG2      ILE  31  -1.290  -2.357  -2.460
  212   1HD1  ILE  31          3HD1      ILE  31  -2.261   1.335  -3.640
  213   2HD1  ILE  31          2HD1      ILE  31  -3.119   1.381  -2.101
  214   3HD1  ILE  31          1HD1      ILE  31  -1.710   2.411  -2.356
  215    H    GLN  32           H        GLN  32   0.005   1.446  -5.784
  216    HA   GLN  32           HA       GLN  32   0.095   4.118  -4.466
  217   1HB   GLN  32          1HB       GLN  32   0.968   3.159  -7.161
  218   2HB   GLN  32          2HB       GLN  32   0.281   4.780  -7.052
  219   1HG   GLN  32          1HG       GLN  32   1.945   5.513  -5.541
  220   2HG   GLN  32          2HG       GLN  32   2.433   3.864  -5.147
  221   1HE2  GLN  32          2HE2      GLN  32   4.975   5.170  -7.517
  222   2HE2  GLN  32          1HE2      GLN  32   4.476   5.532  -5.937
  223    H    LEU  33           H        LEU  33  -1.509   5.671  -5.563
  224    HA   LEU  33           HA       LEU  33  -3.813   4.331  -6.818
  225   1HB   LEU  33          1HB       LEU  33  -3.950   5.678  -4.100
  226   2HB   LEU  33          2HB       LEU  33  -5.367   5.319  -5.081
  227    HG   LEU  33           HG       LEU  33  -3.355   3.254  -4.143
  228   1HD1  LEU  33          3HD1      LEU  33  -4.890   4.397  -2.400
  229   2HD1  LEU  33          2HD1      LEU  33  -6.206   3.546  -3.210
  230   3HD1  LEU  33          1HD1      LEU  33  -4.894   2.633  -2.466
  231   1HD2  LEU  33          1HD2      LEU  33  -5.306   3.237  -6.216
  232   2HD2  LEU  33          3HD2      LEU  33  -4.357   1.877  -5.619
  233   3HD2  LEU  33          2HD2      LEU  33  -5.930   2.235  -4.907
  234    H    ASP  34           H        ASP  34  -5.346   5.950  -7.668
  235    HA   ASP  34           HA       ASP  34  -4.306   8.740  -7.587
  236   1HB   ASP  34          1HB       ASP  34  -4.829   8.976 -10.019
  237   2HB   ASP  34          2HB       ASP  34  -3.490   7.883  -9.680
  238    H    GLY  35           H        GLY  35  -5.801  10.044  -6.967
  239   1HA   GLY  35          1HA       GLY  35  -7.820  10.914  -6.223
  240   2HA   GLY  35          2HA       GLY  35  -8.236  10.732  -7.922
  241    H    ASP  36           H        ASP  36  -9.191   8.656  -8.524
  242    HA   ASP  36           HA       ASP  36 -11.375   7.979  -6.779
  243   1HB   ASP  36          1HB       ASP  36 -10.346   6.667  -9.307
  244   2HB   ASP  36          2HB       ASP  36 -11.840   6.197  -8.495
  245    H    GLY  37           H        GLY  37  -8.170   6.980  -6.684
  246   1HA   GLY  37          1HA       GLY  37  -7.277   5.469  -5.085
  247   2HA   GLY  37          2HA       GLY  37  -8.885   4.779  -4.877
  248    H    ASN  38           H        ASN  38  -7.870   5.257  -8.157
  249    HA   ASN  38           HA       ASN  38  -7.988   2.383  -8.626
  250   1HB   ASN  38          1HB       ASN  38  -7.544   4.804 -10.297
  251   2HB   ASN  38          2HB       ASN  38  -6.887   3.288 -10.912
  252   1HD2  ASN  38          2HD2      ASN  38 -10.892   3.912 -10.977
  253   2HD2  ASN  38          1HD2      ASN  38  -9.823   5.096 -10.400
  254    H    ILE  39           H        ILE  39  -6.274   0.954  -8.838
  255    HA   ILE  39           HA       ILE  39  -3.838   1.645  -7.520
  256    HB   ILE  39           HB       ILE  39  -5.075  -0.735  -8.380
  257   1HG1  ILE  39          1HG1      ILE  39  -2.599  -1.439  -7.294
  258   2HG1  ILE  39          2HG1      ILE  39  -2.915   0.170  -6.647
  259   1HG2  ILE  39          3HG2      ILE  39  -3.776  -0.635 -10.498
  260   2HG2  ILE  39          2HG2      ILE  39  -2.285  -0.584  -9.556
  261   3HG2  ILE  39          1HG2      ILE  39  -3.319  -2.012  -9.493
  262   1HD1  ILE  39          2HD1      ILE  39  -5.369  -0.928  -6.339
  263   2HD1  ILE  39          1HD1      ILE  39  -4.372  -2.374  -6.175
  264   3HD1  ILE  39          3HD1      ILE  39  -4.120  -1.003  -5.095
  265    H    LEU  40           H        LEU  40  -1.916   2.301  -8.197
  266    HA   LEU  40           HA       LEU  40  -1.559   2.879 -11.109
  267   1HB   LEU  40          1HB       LEU  40   0.223   4.078  -9.018
  268   2HB   LEU  40          2HB       LEU  40  -0.313   4.763 -10.549
  269    HG   LEU  40           HG       LEU  40  -2.074   4.385  -8.102
  270   1HD1  LEU  40          2HD1      LEU  40  -0.285   6.544  -9.003
  271   2HD1  LEU  40          1HD1      LEU  40  -1.923   7.073  -8.625
  272   3HD1  LEU  40          3HD1      LEU  40  -0.964   6.238  -7.404
  273   1HD2  LEU  40          2HD2      LEU  40  -2.951   4.403 -10.619
  274   2HD2  LEU  40          1HD2      LEU  40  -3.815   5.254  -9.339
  275   3HD2  LEU  40          3HD2      LEU  40  -2.746   6.144 -10.421
  276    H    GLN  41           H        GLN  41  -0.278   1.329  -8.260
  277    HA   GLN  41           HA       GLN  41   1.432  -0.422  -9.819
  278   1HB   GLN  41          1HB       GLN  41   3.088   1.216  -9.843
  279   2HB   GLN  41          2HB       GLN  41   2.557   1.932  -8.332
  280   1HG   GLN  41          1HG       GLN  41   3.715  -0.826  -8.267
  281   2HG   GLN  41          2HG       GLN  41   4.802   0.534  -8.475
  282   1HE2  GLN  41          2HE2      GLN  41   2.666   1.264  -5.121
  283   2HE2  GLN  41          1HE2      GLN  41   1.944   1.327  -6.642
  284    H    TYR  42           H        TYR  42   2.424  -2.103  -8.229
  285    HA   TYR  42           HA       TYR  42   1.036  -2.109  -5.586
  286   1HB   TYR  42          1HB       TYR  42  -0.052  -3.383  -7.713
  287   2HB   TYR  42          2HB       TYR  42   1.019  -4.649  -7.133
  288    HD1  TYR  42           HD1      TYR  42  -1.390  -2.136  -5.692
  289    HD2  TYR  42           HD2      TYR  42   0.124  -6.155  -5.620
  290    HE1  TYR  42           HE1      TYR  42  -3.069  -2.745  -3.962
  291    HE2  TYR  42           HE2      TYR  42  -1.547  -6.758  -3.904
  292    HH   TYR  42           HH       TYR  42  -3.332  -6.110  -2.771
  293    H    ASN  43           H        ASN  43   2.875  -4.387  -7.577
  294    HA   ASN  43           HA       ASN  43   5.166  -5.051  -7.278
  295   1HB   ASN  43          1HB       ASN  43   6.386  -4.785  -5.319
  296   2HB   ASN  43          2HB       ASN  43   5.293  -3.413  -5.220
  297   1HD2  ASN  43          2HD2      ASN  43   5.360  -5.445  -1.995
  298   2HD2  ASN  43          1HD2      ASN  43   6.614  -4.875  -2.983
  299    H    ALA  44           H        ALA  44   5.968  -7.196  -6.103
  300    HA   ALA  44           HA       ALA  44   3.636  -9.011  -6.288
  301   1HB   ALA  44          3HB       ALA  44   6.588  -9.299  -6.598
  302   2HB   ALA  44          2HB       ALA  44   5.662 -10.726  -6.130
  303   3HB   ALA  44          1HB       ALA  44   5.284  -9.883  -7.633
  304    H    ALA  45           H        ALA  45   5.777  -7.806  -3.813
  305    HA   ALA  45           HA       ALA  45   5.777  -9.928  -1.976
  306   1HB   ALA  45          2HB       ALA  45   6.340  -7.147  -1.904
  307   2HB   ALA  45          1HB       ALA  45   5.263  -7.485  -0.551
  308   3HB   ALA  45          3HB       ALA  45   6.783  -8.365  -0.708
  309    H    GLU  46           H        GLU  46   3.373  -7.278  -1.990
  310    HA   GLU  46           HA       GLU  46   1.620  -8.549  -0.132
  311   1HB   GLU  46          1HB       GLU  46  -0.108  -6.993  -1.046
  312   2HB   GLU  46          2HB       GLU  46   1.395  -6.195  -0.629
  313   1HG   GLU  46          1HG       GLU  46   2.051  -6.579  -3.097
  314   2HG   GLU  46          2HG       GLU  46   0.340  -6.877  -3.347
  315    HE1  GLU  46           HE1      GLU  46  -0.765  -4.914  -1.672
  316    H    GLY  47           H        GLY  47   1.594  -8.488  -3.677
  317   1HA   GLY  47          1HA       GLY  47  -0.768 -10.036  -4.024
  318   2HA   GLY  47          2HA       GLY  47   0.553  -9.948  -5.199
  319    H    ASP  48           H        ASP  48   2.325 -10.976  -2.799
  320    HA   ASP  48           HA       ASP  48   2.049 -13.795  -3.563
  321   1HB   ASP  48          1HB       ASP  48   4.103 -12.101  -2.436
  322   2HB   ASP  48          2HB       ASP  48   3.917 -13.561  -1.464
  323    H    ILE  49           H        ILE  49   1.431 -11.796  -0.709
  324    HA   ILE  49           HA       ILE  49   0.801 -14.108   0.954
  325    HB   ILE  49           HB       ILE  49   1.240 -11.278   1.255
  326   1HG1  ILE  49          1HG1      ILE  49   1.384 -12.642   3.728
  327   2HG1  ILE  49          2HG1      ILE  49   1.918 -13.776   2.489
  328   1HG2  ILE  49          2HG2      ILE  49  -1.030 -12.498   2.818
  329   2HG2  ILE  49          1HG2      ILE  49  -0.156 -11.061   3.353
  330   3HG2  ILE  49          3HG2      ILE  49  -1.066 -11.029   1.842
  331   1HD1  ILE  49          3HD1      ILE  49   2.947 -10.937   2.645
  332   2HD1  ILE  49          2HD1      ILE  49   3.735 -12.282   3.469
  333   3HD1  ILE  49          1HD1      ILE  49   3.610 -12.278   1.711
  334    H    THR  50           H        THR  50  -0.978 -11.571  -0.718
  335    HA   THR  50           HA       THR  50  -3.521 -12.955  -0.039
  336    HB   THR  50           HB       THR  50  -4.153 -10.835   0.501
  337    HG1  THR  50           HG1      THR  50  -4.102 -10.273  -2.256
  338   1HG2  THR  50          1HG2      THR  50  -1.668 -10.080   0.016
  339   2HG2  THR  50          3HG2      THR  50  -2.366  -9.411  -1.456
  340   3HG2  THR  50          2HG2      THR  50  -2.937  -8.889   0.126
  341    H    GLY  51           H        GLY  51  -1.323 -12.952  -2.507
  342   1HA   GLY  51          1HA       GLY  51  -1.544 -13.984  -4.614
  343   2HA   GLY  51          2HA       GLY  51  -3.276 -14.096  -4.329
  344    H    ARG  52           H        ARG  52  -2.594 -10.938  -3.706
  345    HA   ARG  52           HA       ARG  52  -3.714 -10.094  -6.257
  346   1HB   ARG  52          1HB       ARG  52  -3.131  -8.871  -3.650
  347   2HB   ARG  52          2HB       ARG  52  -2.971  -7.775  -5.024
  348   1HG   ARG  52          1HG       ARG  52  -5.229  -8.772  -5.801
  349   2HG   ARG  52          2HG       ARG  52  -5.382  -9.342  -4.141
  350   1HD   ARG  52          1HD       ARG  52  -4.563  -6.612  -4.065
  351   2HD   ARG  52          2HD       ARG  52  -5.928  -6.740  -5.168
  352    HE   ARG  52           HE       ARG  52  -6.136  -6.907  -2.326
  353   1HH1  ARG  52          1HH2      ARG  52  -7.695  -7.543  -5.256
  354   2HH1  ARG  52          2HH2      ARG  52  -8.877  -8.631  -4.609
  355   1HH2  ARG  52          2HH1      ARG  52  -7.412  -8.824  -1.495
  356   2HH2  ARG  52          1HH1      ARG  52  -8.717  -9.345  -2.494
  357    H    ASP  53           H        ASP  53  -1.981 -10.823  -7.664
  358    HA   ASP  53           HA       ASP  53   0.707  -9.912  -7.548
  359   1HB   ASP  53          1HB       ASP  53  -1.004 -11.255  -9.441
  360   2HB   ASP  53          2HB       ASP  53  -0.069 -10.016 -10.277
  361    HA   PRO  54           HA       PRO  54   0.462  -5.715  -8.861
  362   1HB   PRO  54          1HB       PRO  54   2.336  -5.490 -10.860
  363   2HB   PRO  54          2HB       PRO  54   2.745  -5.647  -9.143
  364   1HG   PRO  54          1HG       PRO  54   2.939  -7.685 -11.312
  365   2HG   PRO  54          2HG       PRO  54   3.875  -7.548  -9.814
  366   1HD   PRO  54          1HD       PRO  54   1.738  -9.337 -10.262
  367   2HD   PRO  54          2HD       PRO  54   2.441  -8.934  -8.682
  368    H    LYS  55           H        LYS  55   0.359  -7.988 -11.586
  369    HA   LYS  55           HA       LYS  55  -0.908  -6.060 -13.361
  370   1HB   LYS  55          1HB       LYS  55   0.549  -8.216 -13.912
  371   2HB   LYS  55          2HB       LYS  55  -1.028  -9.006 -13.871
  372   1HG   LYS  55          1HG       LYS  55  -1.473  -8.226 -15.931
  373   2HG   LYS  55          2HG       LYS  55  -1.313  -6.574 -15.337
  374   1HD   LYS  55          1HD       LYS  55   1.114  -8.232 -16.022
  375   2HD   LYS  55          2HD       LYS  55   0.260  -7.304 -17.256
  376   1HE   LYS  55          1HE       LYS  55   1.401  -5.479 -16.606
  377   2HE   LYS  55          2HE       LYS  55   0.573  -5.566 -15.051
  378   1HZ   LYS  55          3HZ       LYS  55   3.002  -7.145 -15.678
  379   2HZ   LYS  55          2HZ       LYS  55   3.059  -5.608 -14.954
  380   3HZ   LYS  55          1HZ       LYS  55   2.287  -6.897 -14.160
  381    H    GLN  56           H        GLN  56  -1.940  -8.393 -11.002
  382    HA   GLN  56           HA       GLN  56  -4.663  -8.608 -12.032
  383   1HB   GLN  56          1HB       GLN  56  -3.593  -9.309  -9.280
  384   2HB   GLN  56          2HB       GLN  56  -5.116  -9.856  -9.981
  385   1HG   GLN  56          1HG       GLN  56  -2.658 -10.382 -11.572
  386   2HG   GLN  56          2HG       GLN  56  -2.864 -11.331 -10.099
  387   1HE2  GLN  56          2HE2      GLN  56  -5.616 -11.780 -13.128
  388   2HE2  GLN  56          1HE2      GLN  56  -4.724 -10.338 -13.027
  389    H    VAL  57           H        VAL  57  -3.048  -6.792  -9.431
  390    HA   VAL  57           HA       VAL  57  -5.489  -5.555  -8.485
  391    HB   VAL  57           HB       VAL  57  -3.953  -4.000  -7.305
  392   1HG1  VAL  57          2HG1      VAL  57  -3.994  -6.901  -7.131
  393   2HG1  VAL  57          1HG1      VAL  57  -2.472  -6.248  -6.530
  394   3HG1  VAL  57          3HG1      VAL  57  -3.998  -5.707  -5.833
  395   1HG2  VAL  57          3HG2      VAL  57  -2.165  -4.948  -9.392
  396   2HG2  VAL  57          2HG2      VAL  57  -1.969  -3.576  -8.301
  397   3HG2  VAL  57          1HG2      VAL  57  -1.449  -5.184  -7.797
  398    H    ILE  58           H        ILE  58  -3.722  -5.131 -11.334
  399    HA   ILE  58           HA       ILE  58  -3.986  -2.271 -11.593
  400    HB   ILE  58           HB       ILE  58  -3.020  -4.515 -13.198
  401   1HG1  ILE  58          1HG1      ILE  58  -2.560  -1.522 -13.281
  402   2HG1  ILE  58          2HG1      ILE  58  -1.670  -2.676 -12.288
  403   1HG2  ILE  58          3HG2      ILE  58  -4.496  -2.314 -14.692
  404   2HG2  ILE  58          2HG2      ILE  58  -3.417  -3.498 -15.431
  405   3HG2  ILE  58          1HG2      ILE  58  -4.926  -4.025 -14.685
  406   1HD1  ILE  58          3HD1      ILE  58  -1.385  -3.840 -14.725
  407   2HD1  ILE  58          2HD1      ILE  58  -1.470  -2.143 -15.202
  408   3HD1  ILE  58          1HD1      ILE  58  -0.228  -2.680 -14.070
  409    H    GLY  59           H        GLY  59  -5.820  -1.185 -11.888
  410   1HA   GLY  59          1HA       GLY  59  -7.936  -0.745 -12.986
  411   2HA   GLY  59          2HA       GLY  59  -8.074  -2.470 -13.337
  412    H    LYS  60           H        LYS  60  -7.162  -3.028 -10.490
  413    HA   LYS  60           HA       LYS  60  -9.833  -3.068  -9.304
  414   1HB   LYS  60          1HB       LYS  60  -7.254  -3.819  -7.909
  415   2HB   LYS  60          2HB       LYS  60  -8.876  -4.441  -7.608
  416   1HG   LYS  60          1HG       LYS  60  -7.192  -4.934 -10.085
  417   2HG   LYS  60          2HG       LYS  60  -7.581  -6.112  -8.830
  418   1HD   LYS  60          1HD       LYS  60 -10.076  -5.170  -9.557
  419   2HD   LYS  60          2HD       LYS  60  -9.212  -5.190 -11.095
  420   1HE   LYS  60          1HE       LYS  60  -8.450  -7.558 -10.443
  421   2HE   LYS  60          2HE       LYS  60  -9.696  -7.490  -9.196
  422   1HZ   LYS  60          1HZ       LYS  60 -10.255  -6.924 -12.050
  423   2HZ   LYS  60          3HZ       LYS  60 -10.383  -8.479 -11.385
  424   3HZ   LYS  60          2HZ       LYS  60 -11.371  -7.225 -10.805
  425    H    ASN  61           H        ASN  61 -10.564  -1.695  -7.701
  426    HA   ASN  61           HA       ASN  61  -8.957   0.679  -7.110
  427   1HB   ASN  61          1HB       ASN  61 -11.730  -0.034  -6.989
  428   2HB   ASN  61          2HB       ASN  61 -11.228   0.487  -5.380
  429   1HD2  ASN  61          2HD2      ASN  61 -11.007   3.182  -8.483
  430   2HD2  ASN  61          1HD2      ASN  61 -10.986   1.520  -8.826
  431    H    PHE  62           H        PHE  62  -7.580   0.817  -5.382
  432    HA   PHE  62           HA       PHE  62  -7.067  -1.425  -3.702
  433   1HB   PHE  62          1HB       PHE  62  -5.416   0.376  -4.101
  434   2HB   PHE  62          2HB       PHE  62  -6.409   1.466  -3.125
  435    HD1  PHE  62           HD1      PHE  62  -4.402  -1.642  -3.061
  436    HD2  PHE  62           HD2      PHE  62  -6.514   1.277  -0.740
  437    HE1  PHE  62           HE1      PHE  62  -3.431  -2.594  -0.979
  438    HE2  PHE  62           HE2      PHE  62  -5.536   0.340   1.334
  439    HZ   PHE  62           HZ       PHE  62  -4.027  -1.616   1.218
  440    H    PHE  63           H        PHE  63  -9.597   0.860  -3.527
  441    HA   PHE  63           HA       PHE  63 -10.038   0.114  -0.667
  442   1HB   PHE  63          1HB       PHE  63 -10.575   2.652  -2.185
  443   2HB   PHE  63          2HB       PHE  63 -11.526   2.262  -0.752
  444    HD1  PHE  63           HD1      PHE  63  -8.144   3.041  -2.024
  445    HD2  PHE  63           HD2      PHE  63 -10.521   2.235   1.461
  446    HE1  PHE  63           HE1      PHE  63  -6.300   3.853  -0.576
  447    HE2  PHE  63           HE2      PHE  63  -8.676   3.043   2.905
  448    HZ   PHE  63           HZ       PHE  63  -6.568   3.855   1.887
  449    H    LYS  64           H        LYS  64 -10.972  -1.342  -3.153
  450    HA   LYS  64           HA       LYS  64 -13.763  -1.604  -2.301
  451   1HB   LYS  64          1HB       LYS  64 -13.061   0.047  -4.582
  452   2HB   LYS  64          2HB       LYS  64 -14.088  -1.304  -5.068
  453   1HG   LYS  64          1HG       LYS  64 -15.666  -0.719  -3.225
  454   2HG   LYS  64          2HG       LYS  64 -14.670   0.690  -2.859
  455   1HD   LYS  64          1HD       LYS  64 -15.161   0.727  -5.658
  456   2HD   LYS  64          2HD       LYS  64 -16.707   0.418  -4.866
  457   1HE   LYS  64          1HE       LYS  64 -14.965   2.524  -3.673
  458   2HE   LYS  64          2HE       LYS  64 -15.760   2.906  -5.200
  459   1HZ   LYS  64          2HZ       LYS  64 -17.213   1.775  -2.880
  460   2HZ   LYS  64          1HZ       LYS  64 -17.040   3.448  -3.122
  461   3HZ   LYS  64          3HZ       LYS  64 -17.866   2.508  -4.266
  462    H    ASP  65           H        ASP  65 -11.524  -2.430  -4.992
  463    HA   ASP  65           HA       ASP  65 -12.652  -5.196  -4.858
  464   1HB   ASP  65          1HB       ASP  65 -12.826  -3.859  -7.031
  465   2HB   ASP  65          2HB       ASP  65 -11.076  -4.036  -7.160
  466    H    VAL  66           H        VAL  66 -10.106  -3.615  -3.590
  467    HA   VAL  66           HA       VAL  66  -8.236  -5.894  -4.093
  468    HB   VAL  66           HB       VAL  66  -7.671  -3.023  -3.389
  469   1HG1  VAL  66          2HG1      VAL  66  -6.095  -5.085  -2.697
  470   2HG1  VAL  66          1HG1      VAL  66  -5.525  -4.821  -4.344
  471   3HG1  VAL  66          3HG1      VAL  66  -5.455  -3.515  -3.165
  472   1HG2  VAL  66          2HG2      VAL  66  -8.432  -3.377  -5.711
  473   2HG2  VAL  66          1HG2      VAL  66  -6.742  -2.874  -5.646
  474   3HG2  VAL  66          3HG2      VAL  66  -7.147  -4.566  -5.929
  475    H    ALA  67           H        ALA  67  -9.435  -3.506  -1.806
  476    HA   ALA  67           HA       ALA  67  -8.929  -5.434   0.403
  477   1HB   ALA  67          3HB       ALA  67  -7.782  -2.706  -0.032
  478   2HB   ALA  67          2HB       ALA  67  -8.271  -3.116   1.612
  479   3HB   ALA  67          1HB       ALA  67  -7.074  -4.105   0.775
  480    HA   PRO  68           HA       PRO  68 -13.154  -3.684   0.618
  481   1HB   PRO  68          1HB       PRO  68 -14.246  -5.907   1.824
  482   2HB   PRO  68          2HB       PRO  68 -14.085  -5.713   0.069
  483   1HG   PRO  68          1HG       PRO  68 -12.460  -7.388   1.935
  484   2HG   PRO  68          2HG       PRO  68 -12.811  -7.640   0.216
  485   1HD   PRO  68          1HD       PRO  68 -10.394  -6.640   1.242
  486   2HD   PRO  68          2HD       PRO  68 -10.931  -6.491  -0.445
  487    H    CYS  69           H        CYS  69 -10.834  -4.608   2.911
  488    HA   CYS  69           HA       CYS  69 -12.517  -3.869   5.229
  489   1HB   CYS  69          1HB       CYS  69 -10.615  -4.588   6.574
  490   2HB   CYS  69          2HB       CYS  69 -10.952  -5.824   5.363
  491    H    THR  70           H        THR  70 -10.152  -2.541   3.069
  492    HA   THR  70           HA       THR  70  -9.232  -0.426   4.833
  493    HB   THR  70           HB       THR  70  -8.367   0.562   2.653
  494    HG1  THR  70           HG1      THR  70 -10.030  -0.541   1.407
  495   1HG2  THR  70          2HG2      THR  70  -7.683  -2.324   3.276
  496   2HG2  THR  70          1HG2      THR  70  -6.666  -1.202   2.371
  497   3HG2  THR  70          3HG2      THR  70  -7.002  -0.910   4.075
  498    H    ASP  71           H        ASP  71 -12.225  -0.926   3.477
  499    HA   ASP  71           HA       ASP  71 -12.716   1.896   2.774
  500   1HB   ASP  71          1HB       ASP  71 -15.018   1.115   2.273
  501   2HB   ASP  71          2HB       ASP  71 -13.811   0.144   1.430
  502    H    SER  72           H        SER  72 -11.898   1.954   5.281
  503    HA   SER  72           HA       SER  72 -14.393   2.310   6.879
  504   1HB   SER  72          1HB       SER  72 -11.947   1.682   8.403
  505   2HB   SER  72          2HB       SER  72 -13.588   1.078   8.616
  506    HG   SER  72           HG       SER  72 -13.222  -0.293   6.824
  507    HA   PRO  73           HA       PRO  73 -12.763   6.260   7.936
  508   1HB   PRO  73          1HB       PRO  73 -13.131   6.465  10.650
  509   2HB   PRO  73          2HB       PRO  73 -14.452   6.540   9.471
  510   1HG   PRO  73          1HG       PRO  73 -13.704   4.319  11.311
  511   2HG   PRO  73          2HG       PRO  73 -15.281   4.711  10.608
  512   1HD   PRO  73          1HD       PRO  73 -13.526   2.673   9.727
  513   2HD   PRO  73          2HD       PRO  73 -14.945   3.282   8.850
  514    H    GLU  74           H        GLU  74 -11.070   3.565   9.046
  515    HA   GLU  74           HA       GLU  74  -8.974   5.237  10.308
  516   1HB   GLU  74          1HB       GLU  74  -9.236   2.228  10.318
  517   2HB   GLU  74          2HB       GLU  74  -8.089   3.188  11.253
  518   1HG   GLU  74          1HG       GLU  74 -11.109   3.314  11.516
  519   2HG   GLU  74          2HG       GLU  74 -10.017   2.516  12.646
  520    H    PHE  75           H        PHE  75  -9.708   3.192   7.602
  521    HA   PHE  75           HA       PHE  75  -6.868   3.321   6.696
  522   1HB   PHE  75          1HB       PHE  75  -8.526   1.182   6.672
  523   2HB   PHE  75          2HB       PHE  75  -8.916   1.866   5.094
  524    HD1  PHE  75           HD1      PHE  75  -6.943   2.503   3.556
  525    HD2  PHE  75           HD2      PHE  75  -6.566  -0.089   6.954
  526    HE1  PHE  75           HE1      PHE  75  -4.839   1.601   2.625
  527    HE2  PHE  75           HE2      PHE  75  -4.452  -0.997   6.026
  528    HZ   PHE  75           HZ       PHE  75  -3.585  -0.152   3.861
  529    H    TYR  76           H        TYR  76 -10.037   3.433   5.000
  530    HA   TYR  76           HA       TYR  76  -9.006   5.352   3.083
  531   1HB   TYR  76          1HB       TYR  76 -10.953   3.705   2.707
  532   2HB   TYR  76          2HB       TYR  76 -11.938   4.847   3.625
  533    HD1  TYR  76           HD2      TYR  76  -9.170   5.338   1.143
  534    HD2  TYR  76           HD1      TYR  76 -13.287   6.055   2.137
  535    HE1  TYR  76           HE2      TYR  76  -9.403   6.768  -0.874
  536    HE2  TYR  76           HE1      TYR  76 -13.523   7.484   0.122
  537    HH   TYR  76           HH       TYR  76 -11.440   7.467  -2.398
  538    H    GLY  77           H        GLY  77 -10.309   5.549   6.262
  539   1HA   GLY  77          1HA       GLY  77 -11.477   8.156   6.192
  540   2HA   GLY  77          2HA       GLY  77 -10.814   7.383   7.621
  541    H    LYS  78           H        LYS  78  -8.247   7.182   7.367
  542    HA   LYS  78           HA       LYS  78  -7.279   9.884   7.478
  543   1HB   LYS  78          1HB       LYS  78  -5.448   7.537   7.042
  544   2HB   LYS  78          2HB       LYS  78  -5.189   8.977   8.026
  545   1HG   LYS  78          1HG       LYS  78  -6.867   6.556   8.632
  546   2HG   LYS  78          2HG       LYS  78  -5.641   7.321   9.636
  547   1HD   LYS  78          1HD       LYS  78  -7.406   9.370   9.414
  548   2HD   LYS  78          2HD       LYS  78  -8.516   8.006   9.285
  549   1HE   LYS  78          1HE       LYS  78  -7.965   7.185  11.416
  550   2HE   LYS  78          2HE       LYS  78  -6.429   8.052  11.458
  551   1HZ   LYS  78          1HZ       LYS  78  -8.987   9.514  11.342
  552   2HZ   LYS  78          3HZ       LYS  78  -8.380   8.955  12.823
  553   3HZ   LYS  78          2HZ       LYS  78  -7.474  10.053  11.896
  554    H    PHE  79           H        PHE  79  -7.845   7.803   4.844
  555    HA   PHE  79           HA       PHE  79  -5.872   8.990   3.083
  556   1HB   PHE  79          1HB       PHE  79  -6.610   6.704   2.707
  557   2HB   PHE  79          2HB       PHE  79  -8.282   7.240   2.601
  558    HD1  PHE  79           HD1      PHE  79  -8.887   8.915   0.720
  559    HD2  PHE  79           HD2      PHE  79  -5.248   6.610   0.750
  560    HE1  PHE  79           HE1      PHE  79  -8.642   9.241  -1.735
  561    HE2  PHE  79           HE2      PHE  79  -5.049   6.920  -1.677
  562    HZ   PHE  79           HZ       PHE  79  -6.711   8.236  -2.916
  563    H    LYS  80           H        LYS  80  -9.308   9.374   3.776
  564    HA   LYS  80           HA       LYS  80  -9.681  11.329   1.695
  565   1HB   LYS  80          1HB       LYS  80 -11.347  10.205   3.907
  566   2HB   LYS  80          2HB       LYS  80 -11.843  11.722   3.157
  567   1HG   LYS  80          1HG       LYS  80 -11.121   9.989   1.039
  568   2HG   LYS  80          2HG       LYS  80 -12.120   9.039   2.140
  569   1HD   LYS  80          1HD       LYS  80 -13.614  10.119   0.593
  570   2HD   LYS  80          2HD       LYS  80 -13.774  10.959   2.137
  571   1HE   LYS  80          1HE       LYS  80 -12.517  12.814   1.397
  572   2HE   LYS  80          2HE       LYS  80 -11.815  11.914   0.053
  573   1HZ   LYS  80          3HZ       LYS  80 -14.726  12.258   0.168
  574   2HZ   LYS  80          2HZ       LYS  80 -13.769  13.566  -0.339
  575   3HZ   LYS  80          1HZ       LYS  80 -13.713  12.093  -1.183
  576    H    GLU  81           H        GLU  81  -8.205  11.315   4.702
  577    HA   GLU  81           HA       GLU  81  -8.851  14.172   5.269
  578   1HB   GLU  81          1HB       GLU  81  -7.046  12.349   6.884
  579   2HB   GLU  81          2HB       GLU  81  -7.837  13.833   7.414
  580   1HG   GLU  81          1HG       GLU  81  -9.784  11.925   6.407
  581   2HG   GLU  81          2HG       GLU  81  -8.818  11.221   7.703
  582    H    GLY  82           H        GLY  82  -6.214  11.993   4.480
  583   1HA   GLY  82          1HA       GLY  82  -4.128  13.994   4.442
  584   2HA   GLY  82          2HA       GLY  82  -4.044  12.408   3.664
  585    H    VAL  83           H        VAL  83  -6.338  12.619   2.059
  586    HA   VAL  83           HA       VAL  83  -5.314  13.957  -0.255
  587    HB   VAL  83           HB       VAL  83  -8.156  13.100   0.381
  588   1HG1  VAL  83          3HG1      VAL  83  -7.399  14.731  -1.673
  589   2HG1  VAL  83          2HG1      VAL  83  -7.176  13.145  -2.409
  590   3HG1  VAL  83          1HG1      VAL  83  -8.750  13.602  -1.761
  591   1HG2  VAL  83          3HG2      VAL  83  -5.926  11.510   0.178
  592   2HG2  VAL  83          2HG2      VAL  83  -7.569  10.982  -0.191
  593   3HG2  VAL  83          1HG2      VAL  83  -6.509  11.528  -1.487
  594    H    ALA  84           H        ALA  84  -7.724  14.936   2.175
  595    HA   ALA  84           HA       ALA  84  -8.161  17.496   0.774
  596   1HB   ALA  84          3HB       ALA  84 -10.006  16.169   1.903
  597   2HB   ALA  84          2HB       ALA  84  -9.282  16.628   3.445
  598   3HB   ALA  84          1HB       ALA  84  -9.914  17.869   2.361
  599    H    SER  85           H        SER  85  -5.870  16.375   2.961
  600    HA   SER  85           HA       SER  85  -5.665  19.030   4.301
  601   1HB   SER  85          1HB       SER  85  -5.678  16.895   5.678
  602   2HB   SER  85          2HB       SER  85  -4.115  16.514   4.959
  603    HG   SER  85           HG       SER  85  -4.641  18.999   6.205
  604    H    GLY  86           H        GLY  86  -4.162  17.046   1.904
  605   1HA   GLY  86          1HA       GLY  86  -2.432  17.667   0.412
  606   2HA   GLY  86          2HA       GLY  86  -2.240  19.171   1.319
  607    H    ASN  87           H        ASN  87  -2.242  16.246   3.163
  608    HA   ASN  87           HA       ASN  87   0.672  15.904   3.061
  609   1HB   ASN  87          1HB       ASN  87  -0.743  17.098   5.453
  610   2HB   ASN  87          2HB       ASN  87   0.815  16.284   5.593
  611   1HD2  ASN  87          2HD2      ASN  87   0.652  20.046   4.100
  612   2HD2  ASN  87          1HD2      ASN  87  -0.740  19.247   4.653
  613    H    LEU  88           H        LEU  88  -0.462  13.833   2.342
  614    HA   LEU  88           HA       LEU  88  -1.828  12.252   4.371
  615   1HB   LEU  88          1HB       LEU  88  -1.756  12.126   1.665
  616   2HB   LEU  88          2HB       LEU  88  -0.575  10.878   2.063
  617    HG   LEU  88           HG       LEU  88  -2.826  10.627   3.828
  618   1HD1  LEU  88          2HD1      LEU  88  -3.682  11.748   1.482
  619   2HD1  LEU  88          1HD1      LEU  88  -3.791  10.030   1.102
  620   3HD1  LEU  88          3HD1      LEU  88  -4.665  10.682   2.487
  621   1HD2  LEU  88          3HD2      LEU  88  -1.011   9.022   2.453
  622   2HD2  LEU  88          2HD2      LEU  88  -2.347   8.445   3.448
  623   3HD2  LEU  88          1HD2      LEU  88  -2.560   8.628   1.706
  624    H    ASN  89           H        ASN  89  -0.682  11.552   6.108
  625    HA   ASN  89           HA       ASN  89   1.661   9.857   5.674
  626   1HB   ASN  89          1HB       ASN  89   3.140  11.205   7.166
  627   2HB   ASN  89          2HB       ASN  89   2.738  12.060   5.677
  628   1HD2  ASN  89          2HD2      ASN  89   1.758  13.736   9.182
  629   2HD2  ASN  89          1HD2      ASN  89   2.813  12.412   9.045
  630    H    THR  90           H        THR  90  -0.010   8.432   6.690
  631    HA   THR  90           HA       THR  90   0.107   8.735   9.660
  632    HB   THR  90           HB       THR  90  -2.092   9.575   8.913
  633    HG1  THR  90           HG1      THR  90  -2.904   8.615  10.580
  634   1HG2  THR  90          1HG2      THR  90  -1.872   7.590   6.985
  635   2HG2  THR  90          3HG2      THR  90  -3.117   6.971   8.070
  636   3HG2  THR  90          2HG2      THR  90  -3.313   8.552   7.313
  637    H    MET  91           H        MET  91  -0.011   6.747  10.809
  638    HA   MET  91           HA       MET  91   0.119   4.274   9.141
  639   1HB   MET  91          1HB       MET  91   1.968   3.464  10.595
  640   2HB   MET  91          2HB       MET  91   2.424   4.912   9.698
  641   1HG   MET  91          2HG       MET  91   2.537   6.203  11.576
  642   2HG   MET  91          1HG       MET  91   1.170   5.391  12.339
  643   1HE   MET  91          1HE       MET  91   4.215   6.410  13.078
  644   2HE   MET  91          3HE       MET  91   5.330   5.115  13.534
  645   3HE   MET  91          2HE       MET  91   5.052   5.484  11.835
  646    H    PHE  92           H        PHE  92  -0.750   2.432  10.184
  647    HA   PHE  92           HA       PHE  92  -1.650   2.652  12.974
  648   1HB   PHE  92          1HB       PHE  92  -4.021   2.032  12.281
  649   2HB   PHE  92          2HB       PHE  92  -3.537   3.696  11.966
  650    HD1  PHE  92           HD2      PHE  92  -3.034   4.450   9.672
  651    HD2  PHE  92           HD1      PHE  92  -4.380   0.452  10.451
  652    HE1  PHE  92           HE2      PHE  92  -3.581   4.160   7.268
  653    HE2  PHE  92           HE1      PHE  92  -4.924   0.165   8.058
  654    HZ   PHE  92           HZ       PHE  92  -4.532   2.018   6.462
  655    H    GLU  93           H        GLU  93  -3.184   0.520  13.295
  656    HA   GLU  93           HA       GLU  93  -1.585  -1.716  12.111
  657   1HB   GLU  93          1HB       GLU  93  -2.294  -3.029  14.112
  658   2HB   GLU  93          2HB       GLU  93  -1.368  -1.596  14.557
  659   1HG   GLU  93          1HG       GLU  93  -3.080  -0.908  15.838
  660   2HG   GLU  93          2HG       GLU  93  -4.098  -0.812  14.400
  661    H    TYR  94           H        TYR  94  -2.715  -2.731  10.530
  662    HA   TYR  94           HA       TYR  94  -5.690  -2.822  10.824
  663   1HB   TYR  94          1HB       TYR  94  -4.209  -1.667   8.805
  664   2HB   TYR  94          2HB       TYR  94  -4.604  -3.250   8.130
  665    HD1  TYR  94           HD1      TYR  94  -6.290  -0.601  10.189
  666    HD2  TYR  94           HD2      TYR  94  -6.579  -3.366   6.918
  667    HE1  TYR  94           HE1      TYR  94  -8.591   0.192   9.724
  668    HE2  TYR  94           HE2      TYR  94  -8.877  -2.576   6.443
  669    HH   TYR  94           HH       TYR  94 -10.779  -1.256   8.281
  670    H    THR  95           H        THR  95  -6.557  -4.700   9.338
  671    HA   THR  95           HA       THR  95  -4.810  -7.088   9.469
  672    HB   THR  95           HB       THR  95  -7.547  -6.919  10.771
  673    HG1  THR  95           HG1      THR  95  -6.438  -6.512  12.482
  674   1HG2  THR  95          2HG2      THR  95  -6.162  -9.121   9.621
  675   2HG2  THR  95          1HG2      THR  95  -6.086  -9.306  11.373
  676   3HG2  THR  95          3HG2      THR  95  -7.648  -9.151  10.569
  677    H    PHE  96           H        PHE  96  -4.888  -7.681   7.349
  678    HA   PHE  96           HA       PHE  96  -7.327  -7.250   5.763
  679   1HB   PHE  96          1HB       PHE  96  -4.716  -8.621   5.043
  680   2HB   PHE  96          2HB       PHE  96  -6.009  -8.240   3.910
  681    HD1  PHE  96           HD2      PHE  96  -6.547  -5.501   5.621
  682    HD2  PHE  96           HD1      PHE  96  -3.192  -7.262   3.587
  683    HE1  PHE  96           HE2      PHE  96  -5.565  -3.250   5.285
  684    HE2  PHE  96           HE1      PHE  96  -2.219  -5.007   3.255
  685    HZ   PHE  96           HZ       PHE  96  -3.405  -3.001   4.108
  686    H    ASP  97           H        ASP  97  -8.967  -8.711   5.781
  687    HA   ASP  97           HA       ASP  97  -8.297 -11.591   5.830
  688   1HB   ASP  97          1HB       ASP  97  -8.628 -10.684   8.232
  689   2HB   ASP  97          2HB       ASP  97 -10.330 -10.532   7.796
  690    H    TYR  98           H        TYR  98  -9.304 -10.207   3.668
  691    HA   TYR  98           HA       TYR  98 -12.229 -10.436   3.611
  692   1HB   TYR  98          1HB       TYR  98 -12.007  -9.830   1.244
  693   2HB   TYR  98          2HB       TYR  98 -10.944  -8.782   2.184
  694    HD1  TYR  98           HD1      TYR  98 -11.055 -11.816   0.050
  695    HD2  TYR  98           HD2      TYR  98  -8.556  -8.860   1.910
  696    HE1  TYR  98           HE1      TYR  98  -9.107 -12.670  -1.217
  697    HE2  TYR  98           HE2      TYR  98  -6.596  -9.716   0.634
  698    HH   TYR  98           HH       TYR  98  -6.839 -12.618  -1.361
  699    H    GLN  99           H        GLN  99 -13.332 -12.278   2.923
  700    HA   GLN  99           HA       GLN  99 -13.194 -14.770   3.074
  701   1HB   GLN  99          1HB       GLN  99 -13.631 -15.353   0.672
  702   2HB   GLN  99          2HB       GLN  99 -14.597 -14.003   1.272
  703   1HG   GLN  99          1HG       GLN  99 -13.266 -12.400   0.147
  704   2HG   GLN  99          2HG       GLN  99 -11.960 -13.556  -0.126
  705   1HE2  GLN  99          2HE2      GLN  99 -13.815 -13.308  -3.331
  706   2HE2  GLN  99          1HE2      GLN  99 -12.863 -12.271  -2.383
  707    H    MET 100           H        MET 100 -10.777 -14.679   3.845
  708    HA   MET 100           HA       MET 100  -9.265 -16.591   2.288
  709   1HB   MET 100          1HB       MET 100  -8.979 -14.201   1.154
  710   2HB   MET 100          2HB       MET 100  -7.888 -13.922   2.515
  711   1HG   MET 100          2HG       MET 100  -7.409 -16.528   1.317
  712   2HG   MET 100          1HG       MET 100  -7.267 -15.243   0.118
  713   1HE   MET 100          3HE       MET 100  -5.949 -13.170   0.362
  714   2HE   MET 100          2HE       MET 100  -6.383 -12.753   2.016
  715   3HE   MET 100          1HE       MET 100  -4.685 -12.832   1.551
  716    H    THR 101           H        THR 101  -6.920 -16.691   3.361
  717    HA   THR 101           HA       THR 101  -7.202 -17.185   6.123
  718    HB   THR 101           HB       THR 101  -4.544 -16.595   5.952
  719    HG1  THR 101           HG1      THR 101  -4.094 -16.194   3.960
  720   1HG2  THR 101          1HG2      THR 101  -6.240 -18.960   5.407
  721   2HG2  THR 101          3HG2      THR 101  -4.579 -19.064   4.823
  722   3HG2  THR 101          2HG2      THR 101  -4.896 -18.772   6.534
  723    HA   PRO 102           HA       PRO 102  -6.982 -13.206   7.995
  724   1HB   PRO 102          1HB       PRO 102  -5.643 -13.777  10.330
  725   2HB   PRO 102          2HB       PRO 102  -7.333 -14.220  10.036
  726   1HG   PRO 102          1HG       PRO 102  -4.910 -15.959  10.045
  727   2HG   PRO 102          2HG       PRO 102  -6.597 -16.383  10.380
  728   1HD   PRO 102          1HD       PRO 102  -5.213 -16.889   7.964
  729   2HD   PRO 102          2HD       PRO 102  -6.970 -16.995   8.204
  730    H    THR 103           H        THR 103  -5.529 -11.411   8.375
  731    HA   THR 103           HA       THR 103  -2.629 -11.932   8.088
  732    HB   THR 103           HB       THR 103  -4.238 -10.212   6.176
  733    HG1  THR 103           HG1      THR 103  -4.241 -12.272   5.481
  734   1HG2  THR 103          2HG2      THR 103  -1.964  -9.266   6.974
  735   2HG2  THR 103          1HG2      THR 103  -1.244 -10.611   6.099
  736   3HG2  THR 103          3HG2      THR 103  -2.212  -9.415   5.239
  737    H    LYS 104           H        LYS 104  -1.542 -10.631   9.451
  738    HA   LYS 104           HA       LYS 104  -2.882  -8.124  10.395
  739   1HB   LYS 104          1HB       LYS 104  -2.193 -10.009  12.092
  740   2HB   LYS 104          2HB       LYS 104  -0.549  -9.441  11.798
  741   1HG   LYS 104          1HG       LYS 104  -0.863  -7.598  13.057
  742   2HG   LYS 104          2HG       LYS 104  -2.388  -7.225  12.255
  743   1HD   LYS 104          1HD       LYS 104  -3.301  -9.239  13.688
  744   2HD   LYS 104          2HD       LYS 104  -1.894  -8.900  14.698
  745   1HE   LYS 104          1HE       LYS 104  -2.656  -6.777  15.285
  746   2HE   LYS 104          2HE       LYS 104  -3.666  -6.631  13.847
  747   1HZ   LYS 104          3HZ       LYS 104  -4.882  -8.652  14.928
  748   2HZ   LYS 104          2HZ       LYS 104  -4.196  -8.046  16.360
  749   3HZ   LYS 104          1HZ       LYS 104  -5.230  -7.069  15.430
  750    H    VAL 105           H        VAL 105  -1.716  -6.188  10.006
  751    HA   VAL 105           HA       VAL 105   1.114  -6.457   9.135
  752    HB   VAL 105           HB       VAL 105   0.745  -5.283   7.052
  753   1HG1  VAL 105          1HG1      VAL 105   0.396  -7.825   7.262
  754   2HG1  VAL 105          3HG1      VAL 105  -1.328  -7.479   7.177
  755   3HG1  VAL 105          2HG1      VAL 105  -0.278  -7.059   5.825
  756   1HG2  VAL 105          2HG2      VAL 105  -1.827  -4.679   8.255
  757   2HG2  VAL 105          1HG2      VAL 105  -1.063  -3.948   6.844
  758   3HG2  VAL 105          3HG2      VAL 105  -2.050  -5.395   6.662
  759    H    LYS 106           H        LYS 106   2.302  -4.586   9.470
  760    HA   LYS 106           HA       LYS 106   0.938  -2.373  10.887
  761   1HB   LYS 106          1HB       LYS 106   3.307  -1.374  10.885
  762   2HB   LYS 106          2HB       LYS 106   3.124  -2.863  11.807
  763   1HG   LYS 106          1HG       LYS 106   3.828  -3.208   8.949
  764   2HG   LYS 106          2HG       LYS 106   5.076  -2.486   9.966
  765   1HD   LYS 106          1HD       LYS 106   4.108  -4.553  11.539
  766   2HD   LYS 106          2HD       LYS 106   4.088  -5.244   9.919
  767   1HE   LYS 106          1HE       LYS 106   6.268  -5.697  10.774
  768   2HE   LYS 106          2HE       LYS 106   6.468  -4.347   9.657
  769   1HZ   LYS 106          3HZ       LYS 106   5.963  -3.023  11.886
  770   2HZ   LYS 106          2HZ       LYS 106   6.684  -4.406  12.560
  771   3HZ   LYS 106          1HZ       LYS 106   7.532  -3.469  11.424
  772    H    VAL 107           H        VAL 107   0.120  -0.731   9.612
  773    HA   VAL 107           HA       VAL 107   0.918  -0.809   6.737
  774    HB   VAL 107           HB       VAL 107  -1.284   0.323   6.399
  775   1HG1  VAL 107          2HG1      VAL 107  -0.930  -2.269   7.720
  776   2HG1  VAL 107          1HG1      VAL 107  -2.559  -1.606   7.824
  777   3HG1  VAL 107          3HG1      VAL 107  -1.816  -1.865   6.249
  778   1HG2  VAL 107          3HG2      VAL 107  -0.911   0.835   9.189
  779   2HG2  VAL 107          2HG2      VAL 107  -2.139   1.477   8.119
  780   3HG2  VAL 107          1HG2      VAL 107  -2.415  -0.046   8.963
  781    H    HIS 108           H        HIS 108   1.277   1.140   5.590
  782    HA   HIS 108           HA       HIS 108   1.482   3.659   7.178
  783   1HB   HIS 108          1HB       HIS 108   3.749   2.665   7.248
  784   2HB   HIS 108          2HB       HIS 108   3.756   2.567   5.485
  785    HD1  HIS 108           HD1      HIS 108   5.747   4.281   5.352
  786    HD2  HIS 108           HD2      HIS 108   2.281   5.805   7.095
  787    HE1  HIS 108           HE1      HIS 108   6.049   6.792   5.465
  788    H    MET 109           H        MET 109   0.069   4.904   6.007
  789    HA   MET 109           HA       MET 109   0.197   4.663   3.041
  790   1HB   MET 109          1HB       MET 109  -1.959   6.102   4.584
  791   2HB   MET 109          2HB       MET 109  -2.051   5.411   2.966
  792   1HG   MET 109          2HG       MET 109  -1.765   3.124   3.999
  793   2HG   MET 109          1HG       MET 109  -1.871   3.882   5.588
  794   1HE   MET 109          2HE       MET 109  -3.494   5.662   6.034
  795   2HE   MET 109          1HE       MET 109  -4.267   6.307   4.589
  796   3HE   MET 109          3HE       MET 109  -5.229   5.457   5.806
  797    H    LYS 110           H        LYS 110   1.236   6.364   1.914
  798    HA   LYS 110           HA       LYS 110   1.238   8.992   3.411
  799   1HB   LYS 110          1HB       LYS 110   3.455   7.467   3.047
  800   2HB   LYS 110          2HB       LYS 110   3.512   8.445   1.583
  801   1HG   LYS 110          1HG       LYS 110   3.071  10.441   3.224
  802   2HG   LYS 110          2HG       LYS 110   3.647   9.324   4.456
  803   1HD   LYS 110          1HD       LYS 110   5.447   9.102   2.289
  804   2HD   LYS 110          2HD       LYS 110   5.172  10.827   2.523
  805   1HE   LYS 110          1HE       LYS 110   5.479   9.445   5.067
  806   2HE   LYS 110          2HE       LYS 110   6.886   9.213   4.028
  807   1HZ   LYS 110          2HZ       LYS 110   6.814  11.678   3.650
  808   2HZ   LYS 110          1HZ       LYS 110   5.687  11.771   4.919
  809   3HZ   LYS 110          3HZ       LYS 110   7.254  11.193   5.218
  810    H    LYS 111           H        LYS 111   2.418  10.557   1.435
  811    HA   LYS 111           HA       LYS 111   0.367  10.392  -0.733
  812   1HB   LYS 111          1HB       LYS 111   0.777  12.872  -0.957
  813   2HB   LYS 111          2HB       LYS 111   0.073  12.397   0.589
  814   1HG   LYS 111          1HG       LYS 111   1.856  13.185   1.719
  815   2HG   LYS 111          2HG       LYS 111   2.968  12.267   0.702
  816   1HD   LYS 111          1HD       LYS 111   2.478  14.116  -1.078
  817   2HD   LYS 111          2HD       LYS 111   1.922  15.059   0.306
  818   1HE   LYS 111          1HE       LYS 111   4.292  14.037   1.243
  819   2HE   LYS 111          2HE       LYS 111   4.660  14.291  -0.462
  820   1HZ   LYS 111          2HZ       LYS 111   3.624  16.566  -0.137
  821   2HZ   LYS 111          1HZ       LYS 111   3.747  16.275   1.532
  822   3HZ   LYS 111          3HZ       LYS 111   5.146  16.311   0.573
  823    H    ALA 112           H        ALA 112   1.590   9.167  -2.224
  824    HA   ALA 112           HA       ALA 112   4.317   9.456  -2.838
  825   1HB   ALA 112          2HB       ALA 112   2.081   8.125  -3.957
  826   2HB   ALA 112          1HB       ALA 112   2.860   9.019  -5.263
  827   3HB   ALA 112          3HB       ALA 112   3.790   7.862  -4.316
  828    H    LEU 113           H        LEU 113   5.454  11.127  -3.761
  829    HA   LEU 113           HA       LEU 113   3.863  13.227  -5.177
  830   1HB   LEU 113          1HB       LEU 113   5.296  13.662  -2.955
  831   2HB   LEU 113          2HB       LEU 113   6.597  13.826  -4.135
  832    HG   LEU 113           HG       LEU 113   4.763  15.320  -5.382
  833   1HD1  LEU 113          1HD1      LEU 113   3.037  14.895  -3.657
  834   2HD1  LEU 113          3HD1      LEU 113   4.094  15.603  -2.436
  835   3HD1  LEU 113          2HD1      LEU 113   3.456  16.607  -3.737
  836   1HD2  LEU 113          3HD2      LEU 113   7.108  15.802  -4.109
  837   2HD2  LEU 113          2HD2      LEU 113   6.113  17.083  -4.799
  838   3HD2  LEU 113          1HD2      LEU 113   6.014  16.722  -3.076
  839    H    SER 114           H        SER 114   6.345  10.874  -5.497
  840    HA   SER 114           HA       SER 114   8.017  11.984  -7.468
  841   1HB   SER 114          1HB       SER 114   8.545   9.721  -8.102
  842   2HB   SER 114          2HB       SER 114   8.283   9.730  -6.360
  843    HG   SER 114           HG       SER 114   6.456   8.954  -8.393
  844    H    GLY 115           H        GLY 115   4.828  10.433  -7.830
  845   1HA   GLY 115          1HA       GLY 115   3.936  11.963  -9.967
  846   2HA   GLY 115          2HA       GLY 115   4.846  10.658 -10.724
  847    H    ASP 116           H        ASP 116   2.871  10.476  -7.778
  848    HA   ASP 116           HA       ASP 116   0.909   8.836  -9.290
  849   1HB   ASP 116          1HB       ASP 116   2.436   7.992  -6.826
  850   2HB   ASP 116          2HB       ASP 116   0.903   7.245  -7.278
  851    H    SER 117           H        SER 117   1.035   9.082  -5.767
  852    HA   SER 117           HA       SER 117  -0.381  11.404  -5.244
  853   1HB   SER 117          1HB       SER 117  -2.080   9.411  -6.586
  854   2HB   SER 117          2HB       SER 117  -2.761  10.042  -5.090
  855    HG   SER 117           HG       SER 117  -3.028  11.908  -6.025
  856    H    TYR 118           H        TYR 118  -1.829   8.262  -4.430
  857    HA   TYR 118           HA       TYR 118  -0.890   8.660  -1.603
  858   1HB   TYR 118          1HB       TYR 118  -3.440   7.249  -2.389
  859   2HB   TYR 118          2HB       TYR 118  -3.050   7.962  -0.823
  860    HD1  TYR 118           HD2      TYR 118  -2.762  10.524  -0.739
  861    HD2  TYR 118           HD1      TYR 118  -4.567   8.417  -4.010
  862    HE1  TYR 118           HE2      TYR 118  -3.833  12.619  -1.502
  863    HE2  TYR 118           HE1      TYR 118  -5.638  10.499  -4.772
  864    HH   TYR 118           HH       TYR 118  -5.287  12.928  -4.574
  865    H    TRP 119           H        TRP 119   0.210   6.894  -0.726
  866    HA   TRP 119           HA       TRP 119  -0.251   4.282  -2.023
  867   1HB   TRP 119          1HB       TRP 119   2.138   3.740  -1.875
  868   2HB   TRP 119          2HB       TRP 119   1.779   5.043  -2.991
  869    HD1  TRP 119           HD1      TRP 119   3.144   7.112  -2.709
  870    HE1  TRP 119           HE1      TRP 119   4.818   8.018  -0.998
  871    HE3  TRP 119           HE3      TRP 119   2.419   3.730   0.841
  872    HZ2  TRP 119           HZ2      TRP 119   5.744   7.310   1.643
  873    HZ3  TRP 119           HZ3      TRP 119   3.679   3.792   2.998
  874    HH2  TRP 119           HH2      TRP 119   5.351   5.587   3.383
  875    H    VAL 120           H        VAL 120   0.574   2.396  -0.745
  876    HA   VAL 120           HA       VAL 120   0.553   2.887   2.181
  877    HB   VAL 120           HB       VAL 120  -1.475   1.102   0.762
  878   1HG1  VAL 120          1HG1      VAL 120  -0.565   1.366   3.591
  879   2HG1  VAL 120          3HG1      VAL 120  -2.298   1.196   3.315
  880   3HG1  VAL 120          2HG1      VAL 120  -1.187  -0.044   2.735
  881   1HG2  VAL 120          2HG2      VAL 120  -1.557   3.831   1.992
  882   2HG2  VAL 120          1HG2      VAL 120  -2.417   3.210   0.584
  883   3HG2  VAL 120          3HG2      VAL 120  -2.957   2.782   2.207
  884    H    PHE 121           H        PHE 121   2.315   1.740   2.878
  885    HA   PHE 121           HA       PHE 121   3.116  -0.732   1.462
  886   1HB   PHE 121          1HB       PHE 121   4.547   0.619   3.792
  887   2HB   PHE 121          2HB       PHE 121   5.210  -0.571   2.679
  888    HD1  PHE 121           HD1      PHE 121   3.474   0.880   0.317
  889    HD2  PHE 121           HD2      PHE 121   6.511   2.132   3.084
  890    HE1  PHE 121           HE1      PHE 121   4.096   2.713  -1.210
  891    HE2  PHE 121           HE2      PHE 121   7.105   3.996   1.554
  892    HZ   PHE 121           HZ       PHE 121   5.903   4.265  -0.595
  893    H    VAL 122           H        VAL 122   1.883  -2.424   2.188
  894    HA   VAL 122           HA       VAL 122   1.275  -2.520   5.066
  895    HB   VAL 122           HB       VAL 122   0.236  -3.876   2.631
  896   1HG1  VAL 122          3HG1      VAL 122   0.744  -5.352   5.193
  897   2HG1  VAL 122          2HG1      VAL 122  -0.737  -5.681   4.303
  898   3HG1  VAL 122          1HG1      VAL 122   0.830  -5.942   3.538
  899   1HG2  VAL 122          1HG2      VAL 122  -0.670  -2.264   4.764
  900   2HG2  VAL 122          3HG2      VAL 122  -1.626  -2.922   3.439
  901   3HG2  VAL 122          2HG2      VAL 122  -1.480  -3.819   4.951
  902    H    LYS 123           H        LYS 123   2.949  -3.091   6.214
  903    HA   LYS 123           HA       LYS 123   4.908  -5.062   5.199
  904   1HB   LYS 123          1HB       LYS 123   4.891  -2.949   7.231
  905   2HB   LYS 123          2HB       LYS 123   5.636  -4.442   7.807
  906   1HG   LYS 123          1HG       LYS 123   6.871  -4.435   5.526
  907   2HG   LYS 123          2HG       LYS 123   6.429  -2.728   5.459
  908   1HD   LYS 123          1HD       LYS 123   7.460  -2.463   7.721
  909   2HD   LYS 123          2HD       LYS 123   8.030  -4.106   7.598
  910   1HE   LYS 123          1HE       LYS 123   9.853  -2.686   6.932
  911   2HE   LYS 123          2HE       LYS 123   9.236  -3.435   5.469
  912   1HZ   LYS 123          2HZ       LYS 123   7.885  -1.405   5.131
  913   2HZ   LYS 123          1HZ       LYS 123   8.666  -0.712   6.463
  914   3HZ   LYS 123          3HZ       LYS 123   9.559  -1.116   5.090
  915    H    ARG 124           H        ARG 124   4.340  -7.177   5.467
  916    HA   ARG 124           HA       ARG 124   2.298  -8.075   7.225
  917   1HB   ARG 124          1HB       ARG 124   3.155  -9.446   5.352
  918   2HB   ARG 124          2HB       ARG 124   4.692  -9.639   6.194
  919   1HG   ARG 124          1HG       ARG 124   3.865 -11.349   7.396
  920   2HG   ARG 124          2HG       ARG 124   2.540 -10.339   7.975
  921   1HD   ARG 124          1HD       ARG 124   1.558 -10.773   5.563
  922   2HD   ARG 124          2HD       ARG 124   2.625 -12.176   5.602
  923    HE   ARG 124           HE       ARG 124   0.147 -11.954   7.023
  924   1HH1  ARG 124          1HH2      ARG 124   1.961 -11.894   9.357
  925   2HH1  ARG 124          2HH2      ARG 124   2.253 -13.574   9.663
  926   1HH2  ARG 124          2HH1      ARG 124   1.143 -14.607   6.542
  927   2HH2  ARG 124          1HH1      ARG 124   1.790 -15.112   8.068
  928    H    VAL 125           H        VAL 125   2.260  -8.547   9.360
  929    HA   VAL 125           HA       VAL 125   4.738  -8.026  10.902
  930    HB   VAL 125           HB       VAL 125   2.134  -8.635  12.261
  931   1HG1  VAL 125          2HG1      VAL 125   4.577  -7.836  13.110
  932   2HG1  VAL 125          1HG1      VAL 125   3.814  -6.267  12.855
  933   3HG1  VAL 125          3HG1      VAL 125   3.083  -7.433  13.957
  934   1HG2  VAL 125          3HG2      VAL 125   2.589  -6.400  10.368
  935   2HG2  VAL 125          2HG2      VAL 125   1.076  -7.096  10.951
  936   3HG2  VAL 125          1HG2      VAL 125   1.953  -5.937  11.947
  937    H2   HC4  69           H2       HC4  69  -6.710  -4.798   2.993
  938    H3   HC4  69           H3       HC4  69  -7.869  -7.182   1.472
  939    H2'  HC4  69           H2'      HC4  69  -6.331  -8.035  -0.260
  940    H3'  HC4  69           H3'      HC4  69  -4.162  -7.983  -1.478
  941    H5'  HC4  69           H5'      HC4  69  -2.948  -4.570   0.870
  942    H6'  HC4  69           H6'      HC4  69  -5.119  -4.652   2.046
   
  No H/Q in entry =         942
  Start of MODEL   26
    1   1H    MET   1           H1       MET   1   9.051  10.560  11.185
    2   2H    MET   1           H3       MET   1  10.403  11.185  11.996
    3   3H    MET   1           H2       MET   1   8.876  11.224  12.740
    4    HA   MET   1           HA       MET   1   8.062  12.770  11.088
    5   1HB   MET   1          1HB       MET   1   9.287  13.548  13.173
    6   2HB   MET   1          2HB       MET   1  10.728  13.715  12.172
    7   1HG   MET   1          2HG       MET   1   9.331  15.188  10.627
    8   2HG   MET   1          1HG       MET   1   8.104  15.194  11.895
    9   1HE   MET   1          2HE       MET   1   7.971  17.555  12.384
   10   2HE   MET   1          1HE       MET   1   9.312  18.677  12.596
   11   3HE   MET   1          3HE       MET   1   9.029  17.922  11.022
   12    H    GLU   2           H        GLU   2  11.539  12.059  10.655
   13    HA   GLU   2           HA       GLU   2  11.250  12.966   7.820
   14   1HB   GLU   2          1HB       GLU   2  13.438  13.160   9.823
   15   2HB   GLU   2          2HB       GLU   2  13.927  12.824   8.163
   16   1HG   GLU   2          1HG       GLU   2  13.378  14.906   7.458
   17   2HG   GLU   2          2HG       GLU   2  11.873  14.914   8.379
   18    H    HIS   3           H        HIS   3  10.546  10.289   8.909
   19    HA   HIS   3           HA       HIS   3  12.578   8.653   7.441
   20   1HB   HIS   3          1HB       HIS   3  10.907   8.111   9.871
   21   2HB   HIS   3          2HB       HIS   3  11.350   6.760   8.826
   22    HD1  HIS   3           HD1      HIS   3  12.522   7.210  11.744
   23    HD2  HIS   3           HD2      HIS   3  14.429   8.252   8.186
   24    HE1  HIS   3           HE1      HIS   3  14.998   7.317  12.263
   25    H    VAL   4           H        VAL   4  11.560   6.660   6.374
   26    HA   VAL   4           HA       VAL   4   8.964   7.481   5.145
   27    HB   VAL   4           HB       VAL   4  10.791   7.325   3.532
   28   1HG1  VAL   4          2HG1      VAL   4  11.537   5.095   5.164
   29   2HG1  VAL   4          1HG1      VAL   4  11.300   4.520   3.515
   30   3HG1  VAL   4          3HG1      VAL   4  12.438   5.827   3.837
   31   1HG2  VAL   4          3HG2      VAL   4   8.411   5.664   3.465
   32   2HG2  VAL   4          2HG2      VAL   4   9.174   6.559   2.152
   33   3HG2  VAL   4          1HG2      VAL   4   9.708   4.920   2.528
   34    H    ALA   5           H        ALA   5   7.231   6.276   5.625
   35    HA   ALA   5           HA       ALA   5   5.945   4.576   6.622
   36   1HB   ALA   5          3HB       ALA   5   7.272   3.645   4.345
   37   2HB   ALA   5          2HB       ALA   5   7.525   2.377   5.543
   38   3HB   ALA   5          1HB       ALA   5   5.887   2.882   5.128
   39    H    PHE   6           H        PHE   6   6.464   2.076   7.430
   40    HA   PHE   6           HA       PHE   6   7.400   2.225  10.060
   41   1HB   PHE   6          1HB       PHE   6   8.200  -0.363   9.028
   42   2HB   PHE   6          2HB       PHE   6   6.875   0.022  10.114
   43    HD1  PHE   6           HD1      PHE   6   7.828  -0.429   6.542
   44    HD2  PHE   6           HD2      PHE   6   4.618   0.261   9.313
   45    HE1  PHE   6           HE1      PHE   6   6.185  -0.866   4.754
   46    HE2  PHE   6           HE2      PHE   6   2.991  -0.186   7.510
   47    HZ   PHE   6           HZ       PHE   6   3.772  -0.749   5.243
   48    H    GLY   7           H        GLY   7   9.301   0.440   7.678
   49   1HA   GLY   7          1HA       GLY   7  11.729   1.996   8.352
   50   2HA   GLY   7          2HA       GLY   7  11.770   0.251   8.651
   51    H    SER   8           H        SER   8   9.893   1.645   6.080
   52    HA   SER   8           HA       SER   8  10.720  -0.066   4.070
   53   1HB   SER   8          1HB       SER   8  10.185   2.175   2.641
   54   2HB   SER   8          2HB       SER   8   8.942   1.110   3.292
   55    HG   SER   8           HG       SER   8   9.644   3.649   3.989
   56    H    GLU   9           H        GLU   9  11.850   0.767   1.974
   57    HA   GLU   9           HA       GLU   9  14.480   1.954   2.766
   58   1HB   GLU   9          1HB       GLU   9  13.649  -0.192   0.869
   59   2HB   GLU   9          2HB       GLU   9  14.968   0.854   0.345
   60   1HG   GLU   9          1HG       GLU   9  16.398   0.111   1.989
   61   2HG   GLU   9          2HG       GLU   9  15.092  -0.182   3.138
   62    H    ASP  10           H        ASP  10  12.796   3.943   2.443
   63    HA   ASP  10           HA       ASP  10  12.222   5.807   1.117
   64   1HB   ASP  10          1HB       ASP  10  14.859   4.973   0.345
   65   2HB   ASP  10          2HB       ASP  10  13.982   5.452  -1.109
   66    H    ILE  11           H        ILE  11  10.226   4.468   0.662
   67    HA   ILE  11           HA       ILE  11  10.155   2.957  -1.805
   68    HB   ILE  11           HB       ILE  11   7.715   3.913  -0.474
   69   1HG1  ILE  11          1HG1      ILE  11   9.110   3.191   1.406
   70   2HG1  ILE  11          2HG1      ILE  11   7.853   1.996   1.105
   71   1HG2  ILE  11          1HG2      ILE  11   8.238   2.229  -2.553
   72   2HG2  ILE  11          3HG2      ILE  11   8.065   1.105  -1.209
   73   3HG2  ILE  11          2HG2      ILE  11   6.752   2.208  -1.610
   74   1HD1  ILE  11          3HD1      ILE  11   9.517   0.801  -0.387
   75   2HD1  ILE  11          2HD1      ILE  11  10.751   1.855   0.308
   76   3HD1  ILE  11          1HD1      ILE  11   9.833   0.766   1.340
   77    H    GLU  12           H        GLU  12   8.482   5.939  -0.770
   78    HA   GLU  12           HA       GLU  12   7.235   6.594  -3.119
   79   1HB   GLU  12          1HB       GLU  12   7.671   9.032  -2.518
   80   2HB   GLU  12          2HB       GLU  12   6.984   8.050  -1.225
   81   1HG   GLU  12          1HG       GLU  12   8.945   8.039  -0.001
   82   2HG   GLU  12          2HG       GLU  12   9.962   8.202  -1.433
   83    H    ASN  13           H        ASN  13  10.705   6.667  -2.622
   84    HA   ASN  13           HA       ASN  13  11.126   8.080  -5.192
   85   1HB   ASN  13          1HB       ASN  13  12.571   8.212  -2.947
   86   2HB   ASN  13          2HB       ASN  13  13.371   6.816  -3.669
   87   1HD2  ASN  13          2HD2      ASN  13  14.276  10.465  -5.038
   88   2HD2  ASN  13          1HD2      ASN  13  13.431  10.191  -3.592
   89    H    THR  14           H        THR  14  11.495   4.897  -3.724
   90    HA   THR  14           HA       THR  14  12.693   3.614  -6.021
   91    HB   THR  14           HB       THR  14  11.305   2.652  -3.505
   92    HG1  THR  14           HG1      THR  14  13.944   2.234  -4.417
   93   1HG2  THR  14          3HG2      THR  14  10.861   1.016  -5.361
   94   2HG2  THR  14          2HG2      THR  14  12.604   0.855  -5.572
   95   3HG2  THR  14          1HG2      THR  14  11.850   0.357  -4.061
   96    H    LEU  15           H        LEU  15   9.510   4.676  -5.384
   97    HA   LEU  15           HA       LEU  15   8.309   2.676  -7.197
   98   1HB   LEU  15          1HB       LEU  15   6.923   4.905  -5.680
   99   2HB   LEU  15          2HB       LEU  15   6.179   3.484  -6.409
  100    HG   LEU  15           HG       LEU  15   8.281   3.192  -4.288
  101   1HD1  LEU  15          3HD1      LEU  15   5.719   4.424  -3.938
  102   2HD1  LEU  15          2HD1      LEU  15   5.708   2.849  -3.144
  103   3HD1  LEU  15          1HD1      LEU  15   6.930   4.044  -2.713
  104   1HD2  LEU  15          3HD2      LEU  15   6.717   1.441  -5.877
  105   2HD2  LEU  15          2HD2      LEU  15   7.808   1.010  -4.559
  106   3HD2  LEU  15          1HD2      LEU  15   6.102   1.322  -4.226
  107    H    ALA  16           H        ALA  16   9.416   5.961  -7.111
  108    HA   ALA  16           HA       ALA  16   7.890   6.704  -9.527
  109   1HB   ALA  16          2HB       ALA  16   9.754   8.162  -7.662
  110   2HB   ALA  16          1HB       ALA  16   9.342   8.848  -9.233
  111   3HB   ALA  16          3HB       ALA  16   8.072   8.527  -8.053
  112    H    LYS  17           H        LYS  17  11.169   5.771  -8.595
  113    HA   LYS  17           HA       LYS  17  11.975   6.069 -11.464
  114   1HB   LYS  17          1HB       LYS  17  13.373   6.527  -8.910
  115   2HB   LYS  17          2HB       LYS  17  14.308   5.596 -10.083
  116   1HG   LYS  17          1HG       LYS  17  13.360   7.498 -11.729
  117   2HG   LYS  17          2HG       LYS  17  13.360   8.417 -10.223
  118   1HD   LYS  17          1HD       LYS  17  15.718   7.950  -9.873
  119   2HD   LYS  17          2HD       LYS  17  15.751   6.873 -11.271
  120   1HE   LYS  17          1HE       LYS  17  14.707   9.550 -11.884
  121   2HE   LYS  17          2HE       LYS  17  16.382   9.558 -11.329
  122   1HZ   LYS  17          1HZ       LYS  17  16.880   7.851 -12.986
  123   2HZ   LYS  17          3HZ       LYS  17  15.279   7.914 -13.543
  124   3HZ   LYS  17          2HZ       LYS  17  16.289   9.271 -13.707
  125    H    MET  18           H        MET  18  10.598   3.942 -11.463
  126    HA   MET  18           HA       MET  18  12.494   1.710 -11.492
  127   1HB   MET  18          1HB       MET  18  11.242   2.093  -9.136
  128   2HB   MET  18          2HB       MET  18  10.008   1.145  -9.966
  129   1HG   MET  18          2HG       MET  18  11.189  -0.729  -9.680
  130   2HG   MET  18          1HG       MET  18  12.597  -0.014 -10.463
  131   1HE   MET  18          3HE       MET  18  11.079  -1.512  -7.704
  132   2HE   MET  18          2HE       MET  18  11.805  -0.965  -6.196
  133   3HE   MET  18          1HE       MET  18  10.569   0.016  -6.980
  134    H    ASP  19           H        ASP  19  10.667  -0.361 -11.744
  135    HA   ASP  19           HA       ASP  19   9.049   0.511 -14.103
  136   1HB   ASP  19          1HB       ASP  19  10.830  -1.828 -13.635
  137   2HB   ASP  19          2HB       ASP  19   9.342  -2.139 -14.530
  138    H    ASP  20           H        ASP  20   9.145  -2.376 -11.980
  139    HA   ASP  20           HA       ASP  20   6.676  -1.869 -10.662
  140   1HB   ASP  20          1HB       ASP  20   6.042  -2.240 -13.210
  141   2HB   ASP  20          2HB       ASP  20   6.222  -3.939 -12.778
  142    H    GLY  21           H        GLY  21   8.585  -4.482 -12.176
  143   1HA   GLY  21          1HA       GLY  21   8.080  -6.180  -9.792
  144   2HA   GLY  21          2HA       GLY  21   8.806  -6.726 -11.303
  145    H    GLN  22           H        GLN  22   9.790  -3.801  -9.590
  146    HA   GLN  22           HA       GLN  22  12.477  -5.031  -9.262
  147   1HB   GLN  22          1HB       GLN  22  11.563  -2.465 -10.107
  148   2HB   GLN  22          2HB       GLN  22  12.553  -2.274  -8.662
  149   1HG   GLN  22          1HG       GLN  22  14.444  -3.186  -9.672
  150   2HG   GLN  22          2HG       GLN  22  13.497  -4.081 -10.861
  151   1HE2  GLN  22          2HE2      GLN  22  12.827  -0.914 -12.709
  152   2HE2  GLN  22          1HE2      GLN  22  11.879  -2.121 -11.986
  153    H    LEU  23           H        LEU  23  10.005  -3.192  -7.465
  154    HA   LEU  23           HA       LEU  23  11.487  -3.365  -4.961
  155   1HB   LEU  23          1HB       LEU  23   9.749  -2.102  -4.007
  156   2HB   LEU  23          2HB       LEU  23   9.762  -1.555  -5.675
  157    HG   LEU  23           HG       LEU  23   7.891  -3.671  -4.567
  158   1HD1  LEU  23          1HD1      LEU  23   7.716  -1.071  -3.967
  159   2HD1  LEU  23          3HD1      LEU  23   6.951  -1.021  -5.555
  160   3HD1  LEU  23          2HD1      LEU  23   6.286  -2.051  -4.286
  161   1HD2  LEU  23          2HD2      LEU  23   8.186  -2.353  -7.276
  162   2HD2  LEU  23          1HD2      LEU  23   8.212  -4.077  -6.900
  163   3HD2  LEU  23          3HD2      LEU  23   6.704  -3.171  -6.779
  164    H    ASP  24           H        ASP  24  10.484  -5.939  -6.449
  165    HA   ASP  24           HA       ASP  24   8.506  -7.149  -4.774
  166   1HB   ASP  24          1HB       ASP  24   9.137  -7.965  -7.046
  167   2HB   ASP  24          2HB       ASP  24  10.678  -8.515  -6.384
  168    H    GLY  25           H        GLY  25  11.709  -6.324  -4.031
  169   1HA   GLY  25          1HA       GLY  25  12.038  -8.565  -2.113
  170   2HA   GLY  25          2HA       GLY  25  13.280  -7.378  -2.526
  171    H    LEU  26           H        LEU  26   9.950  -6.603  -1.730
  172    HA   LEU  26           HA       LEU  26  10.937  -5.068   0.613
  173   1HB   LEU  26          1HB       LEU  26   8.585  -4.747  -1.250
  174   2HB   LEU  26          2HB       LEU  26   8.583  -3.984   0.340
  175    HG   LEU  26           HG       LEU  26  10.762  -3.616  -1.738
  176   1HD1  LEU  26          3HD1      LEU  26   8.480  -1.790  -0.914
  177   2HD1  LEU  26          2HD1      LEU  26   9.785  -1.355  -2.018
  178   3HD1  LEU  26          1HD1      LEU  26   8.632  -2.613  -2.466
  179   1HD2  LEU  26          3HD2      LEU  26  10.525  -2.996   1.086
  180   2HD2  LEU  26          2HD2      LEU  26  11.914  -2.787   0.019
  181   3HD2  LEU  26          1HD2      LEU  26  10.697  -1.517   0.142
  182    H    ALA  27           H        ALA  27  10.313  -5.719   2.584
  183    HA   ALA  27           HA       ALA  27   8.730  -8.099   3.004
  184   1HB   ALA  27          3HB       ALA  27  10.419  -6.436   4.565
  185   2HB   ALA  27          2HB       ALA  27   8.851  -6.457   5.370
  186   3HB   ALA  27          1HB       ALA  27   9.694  -7.971   5.039
  187    H    PHE  28           H        PHE  28   7.840  -4.932   2.253
  188    HA   PHE  28           HA       PHE  28   5.100  -5.404   3.300
  189   1HB   PHE  28          1HB       PHE  28   4.999  -2.817   3.391
  190   2HB   PHE  28          2HB       PHE  28   5.893  -3.636   4.662
  191    HD1  PHE  28           HD2      PHE  28   8.369  -3.690   4.643
  192    HD2  PHE  28           HD1      PHE  28   6.126  -1.485   1.726
  193    HE1  PHE  28           HE2      PHE  28  10.426  -2.487   3.982
  194    HE2  PHE  28           HE1      PHE  28   8.183  -0.276   1.065
  195    HZ   PHE  28           HZ       PHE  28  10.338  -0.785   2.197
  196    H    GLY  29           H        GLY  29   3.518  -5.107   1.783
  197   1HA   GLY  29          1HA       GLY  29   4.279  -4.816  -0.987
  198   2HA   GLY  29          2HA       GLY  29   2.631  -4.865  -0.366
  199    H    ALA  30           H        ALA  30   4.397  -2.915  -2.190
  200    HA   ALA  30           HA       ALA  30   3.570  -0.435  -0.747
  201   1HB   ALA  30          2HB       ALA  30   5.954  -1.044  -2.126
  202   2HB   ALA  30          1HB       ALA  30   5.079   0.075  -3.169
  203   3HB   ALA  30          3HB       ALA  30   5.463   0.533  -1.510
  204    H    ILE  31           H        ILE  31   1.452  -0.094  -1.320
  205    HA   ILE  31           HA       ILE  31   0.771  -0.428  -4.195
  206    HB   ILE  31           HB       ILE  31  -1.430  -0.870  -3.592
  207   1HG1  ILE  31          1HG1      ILE  31  -2.256  -0.242  -1.199
  208   2HG1  ILE  31          2HG1      ILE  31  -0.910   0.895  -1.213
  209   1HG2  ILE  31          2HG2      ILE  31   0.134  -1.608  -1.107
  210   2HG2  ILE  31          1HG2      ILE  31  -1.425  -2.288  -1.568
  211   3HG2  ILE  31          3HG2      ILE  31  -0.006  -2.572  -2.569
  212   1HD1  ILE  31          1HD1      ILE  31  -2.630   0.871  -3.638
  213   2HD1  ILE  31          3HD1      ILE  31  -3.366   1.515  -2.171
  214   3HD1  ILE  31          2HD1      ILE  31  -1.885   2.236  -2.804
  215    H    GLN  32           H        GLN  32  -0.078   1.272  -5.389
  216    HA   GLN  32           HA       GLN  32   0.064   3.948  -4.062
  217   1HB   GLN  32          1HB       GLN  32   1.072   2.943  -6.669
  218   2HB   GLN  32          2HB       GLN  32   0.321   4.536  -6.694
  219   1HG   GLN  32          1HG       GLN  32   1.809   5.273  -4.873
  220   2HG   GLN  32          2HG       GLN  32   2.566   3.680  -4.847
  221   1HE2  GLN  32          2HE2      GLN  32   4.847   5.490  -7.014
  222   2HE2  GLN  32          1HE2      GLN  32   4.536   5.215  -5.368
  223    H    LEU  33           H        LEU  33  -1.483   5.553  -5.111
  224    HA   LEU  33           HA       LEU  33  -3.765   4.256  -6.475
  225   1HB   LEU  33          1HB       LEU  33  -3.989   5.735  -3.831
  226   2HB   LEU  33          2HB       LEU  33  -5.361   5.270  -4.833
  227    HG   LEU  33           HG       LEU  33  -3.319   3.324  -3.722
  228   1HD1  LEU  33          1HD1      LEU  33  -5.154   4.626  -2.224
  229   2HD1  LEU  33          3HD1      LEU  33  -6.148   3.301  -2.829
  230   3HD1  LEU  33          2HD1      LEU  33  -4.678   2.955  -1.918
  231   1HD2  LEU  33          3HD2      LEU  33  -5.217   3.124  -5.827
  232   2HD2  LEU  33          2HD2      LEU  33  -4.271   1.821  -5.107
  233   3HD2  LEU  33          1HD2      LEU  33  -5.869   2.207  -4.468
  234    H    ASP  34           H        ASP  34  -5.054   5.790  -7.645
  235    HA   ASP  34           HA       ASP  34  -4.014   8.590  -7.580
  236   1HB   ASP  34          1HB       ASP  34  -4.385   8.758  -9.981
  237   2HB   ASP  34          2HB       ASP  34  -3.290   7.423  -9.635
  238    H    GLY  35           H        GLY  35  -5.490   9.971  -7.045
  239   1HA   GLY  35          1HA       GLY  35  -7.505  10.925  -6.386
  240   2HA   GLY  35          2HA       GLY  35  -7.891  10.647  -8.076
  241    H    ASP  36           H        ASP  36  -8.904   8.591  -8.581
  242    HA   ASP  36           HA       ASP  36 -11.127   8.060  -6.832
  243   1HB   ASP  36          1HB       ASP  36 -10.406   7.485  -9.531
  244   2HB   ASP  36          2HB       ASP  36 -10.864   5.968  -8.757
  245    H    GLY  37           H        GLY  37  -7.981   6.909  -6.670
  246   1HA   GLY  37          1HA       GLY  37  -7.252   5.401  -4.947
  247   2HA   GLY  37          2HA       GLY  37  -8.876   4.718  -4.896
  248    H    ASN  38           H        ASN  38  -7.573   5.208  -8.062
  249    HA   ASN  38           HA       ASN  38  -7.632   2.327  -8.534
  250   1HB   ASN  38          1HB       ASN  38  -6.953   4.737 -10.212
  251   2HB   ASN  38          2HB       ASN  38  -6.589   3.114 -10.799
  252   1HD2  ASN  38          2HD2      ASN  38 -10.350   4.456 -11.075
  253   2HD2  ASN  38          1HD2      ASN  38  -9.025   5.459 -10.731
  254    H    ILE  39           H        ILE  39  -5.926   0.942  -8.533
  255    HA   ILE  39           HA       ILE  39  -3.524   1.628  -7.191
  256    HB   ILE  39           HB       ILE  39  -4.755  -0.723  -8.091
  257   1HG1  ILE  39          1HG1      ILE  39  -2.398  -1.566  -6.970
  258   2HG1  ILE  39          2HG1      ILE  39  -2.501   0.097  -6.391
  259   1HG2  ILE  39          3HG2      ILE  39  -3.295  -0.459 -10.184
  260   2HG2  ILE  39          2HG2      ILE  39  -1.920  -0.772  -9.126
  261   3HG2  ILE  39          1HG2      ILE  39  -3.176  -1.993  -9.322
  262   1HD1  ILE  39          2HD1      ILE  39  -4.763  -1.908  -6.193
  263   2HD1  ILE  39          1HD1      ILE  39  -3.638  -1.554  -4.882
  264   3HD1  ILE  39          3HD1      ILE  39  -4.714  -0.294  -5.486
  265    H    LEU  40           H        LEU  40  -1.543   2.233  -7.823
  266    HA   LEU  40           HA       LEU  40  -1.149   2.904 -10.707
  267   1HB   LEU  40          1HB       LEU  40   0.653   3.861  -8.489
  268   2HB   LEU  40          2HB       LEU  40   0.318   4.619 -10.044
  269    HG   LEU  40           HG       LEU  40  -1.626   4.411  -7.718
  270   1HD1  LEU  40          2HD1      LEU  40   0.437   6.299  -8.395
  271   2HD1  LEU  40          1HD1      LEU  40  -1.137   7.078  -8.558
  272   3HD1  LEU  40          3HD1      LEU  40  -0.677   6.329  -7.028
  273   1HD2  LEU  40          2HD2      LEU  40  -2.545   4.308 -10.125
  274   2HD2  LEU  40          1HD2      LEU  40  -3.195   5.557  -9.063
  275   3HD2  LEU  40          3HD2      LEU  40  -1.984   5.973 -10.275
  276    H    GLN  41           H        GLN  41   0.086   1.227  -7.894
  277    HA   GLN  41           HA       GLN  41   1.567  -0.645  -9.584
  278   1HB   GLN  41          1HB       GLN  41   3.632  -0.198  -7.866
  279   2HB   GLN  41          2HB       GLN  41   3.550   0.459  -9.493
  280   1HG   GLN  41          1HG       GLN  41   3.917   2.434  -8.423
  281   2HG   GLN  41          2HG       GLN  41   2.188   2.383  -8.115
  282   1HE2  GLN  41          2HE2      GLN  41   2.679   1.196  -4.698
  283   2HE2  GLN  41          1HE2      GLN  41   1.692   0.880  -6.038
  284    H    TYR  42           H        TYR  42   2.921  -2.133  -7.806
  285    HA   TYR  42           HA       TYR  42   1.411  -2.419  -5.301
  286   1HB   TYR  42          1HB       TYR  42   0.050  -3.423  -7.280
  287   2HB   TYR  42          2HB       TYR  42   1.231  -4.727  -7.231
  288    HD1  TYR  42           HD1      TYR  42  -0.580  -2.695  -4.642
  289    HD2  TYR  42           HD2      TYR  42   0.431  -6.594  -6.121
  290    HE1  TYR  42           HE1      TYR  42  -1.825  -3.739  -2.750
  291    HE2  TYR  42           HE2      TYR  42  -0.819  -7.629  -4.249
  292    HH   TYR  42           HH       TYR  42  -1.709  -7.182  -2.184
  293    H    ASN  43           H        ASN  43   3.135  -4.680  -7.445
  294    HA   ASN  43           HA       ASN  43   5.376  -5.466  -7.238
  295   1HB   ASN  43          1HB       ASN  43   6.743  -5.117  -5.413
  296   2HB   ASN  43          2HB       ASN  43   5.655  -3.748  -5.259
  297   1HD2  ASN  43          2HD2      ASN  43   5.912  -5.297  -1.902
  298   2HD2  ASN  43          1HD2      ASN  43   6.972  -4.519  -2.975
  299    H    ALA  44           H        ALA  44   6.246  -7.525  -5.879
  300    HA   ALA  44           HA       ALA  44   3.936  -9.374  -5.981
  301   1HB   ALA  44          1HB       ALA  44   6.563  -9.534  -6.889
  302   2HB   ALA  44          3HB       ALA  44   6.513 -10.627  -5.507
  303   3HB   ALA  44          2HB       ALA  44   5.387 -10.848  -6.846
  304    H    ALA  45           H        ALA  45   5.916  -7.951  -3.504
  305    HA   ALA  45           HA       ALA  45   5.928 -10.055  -1.592
  306   1HB   ALA  45          3HB       ALA  45   6.259  -7.148  -1.553
  307   2HB   ALA  45          2HB       ALA  45   5.540  -7.773  -0.070
  308   3HB   ALA  45          1HB       ALA  45   7.102  -8.383  -0.620
  309    H    GLU  46           H        GLU  46   3.641  -7.347  -1.671
  310    HA   GLU  46           HA       GLU  46   1.788  -8.465   0.173
  311   1HB   GLU  46          1HB       GLU  46   0.084  -6.971  -1.222
  312   2HB   GLU  46          2HB       GLU  46   1.285  -6.239  -0.180
  313   1HG   GLU  46          1HG       GLU  46   2.784  -6.049  -2.198
  314   2HG   GLU  46          2HG       GLU  46   1.414  -6.545  -3.180
  315    HE1  GLU  46           HE1      GLU  46   0.799  -4.146  -0.452
  316    H    GLY  47           H        GLY  47   1.648  -8.401  -3.349
  317   1HA   GLY  47          1HA       GLY  47  -0.681 -10.034  -3.606
  318   2HA   GLY  47          2HA       GLY  47   0.554  -9.837  -4.857
  319    H    ASP  48           H        ASP  48   2.491 -10.874  -2.556
  320    HA   ASP  48           HA       ASP  48   2.394 -13.640  -3.486
  321   1HB   ASP  48          1HB       ASP  48   4.281 -11.932  -2.010
  322   2HB   ASP  48          2HB       ASP  48   4.247 -13.603  -1.454
  323    H    ILE  49           H        ILE  49   1.663 -11.932  -0.432
  324    HA   ILE  49           HA       ILE  49   1.096 -14.456   0.917
  325    HB   ILE  49           HB       ILE  49   1.357 -11.632   1.640
  326   1HG1  ILE  49          1HG1      ILE  49   2.193 -12.845   3.776
  327   2HG1  ILE  49          2HG1      ILE  49   2.066 -14.306   2.793
  328   1HG2  ILE  49          2HG2      ILE  49  -0.514 -13.442   3.165
  329   2HG2  ILE  49          1HG2      ILE  49   0.135 -11.926   3.788
  330   3HG2  ILE  49          3HG2      ILE  49  -0.932 -11.918   2.388
  331   1HD1  ILE  49          3HD1      ILE  49   3.600 -11.832   1.953
  332   2HD1  ILE  49          2HD1      ILE  49   4.341 -13.236   2.720
  333   3HD1  ILE  49          1HD1      ILE  49   3.582 -13.395   1.136
  334    H    THR  50           H        THR  50  -0.744 -11.693  -0.347
  335    HA   THR  50           HA       THR  50  -3.282 -13.076   0.277
  336    HB   THR  50           HB       THR  50  -4.296 -11.042   0.197
  337    HG1  THR  50           HG1      THR  50  -2.662  -9.955  -1.799
  338   1HG2  THR  50          2HG2      THR  50  -1.788 -10.726   1.194
  339   2HG2  THR  50          1HG2      THR  50  -1.781  -9.516  -0.085
  340   3HG2  THR  50          3HG2      THR  50  -3.002  -9.457   1.184
  341    H    GLY  51           H        GLY  51  -1.245 -12.370  -2.476
  342   1HA   GLY  51          1HA       GLY  51  -1.384 -13.742  -4.479
  343   2HA   GLY  51          2HA       GLY  51  -3.089 -13.977  -4.135
  344    H    ARG  52           H        ARG  52  -2.657 -10.789  -3.535
  345    HA   ARG  52           HA       ARG  52  -4.071  -9.906  -5.839
  346   1HB   ARG  52          1HB       ARG  52  -2.538  -8.547  -3.655
  347   2HB   ARG  52          2HB       ARG  52  -3.024  -7.601  -5.059
  348   1HG   ARG  52          1HG       ARG  52  -5.281  -7.801  -4.578
  349   2HG   ARG  52          2HG       ARG  52  -5.074  -9.362  -3.797
  350   1HD   ARG  52          1HD       ARG  52  -5.269  -8.244  -1.861
  351   2HD   ARG  52          2HD       ARG  52  -3.624  -7.719  -2.158
  352    HE   ARG  52           HE       ARG  52  -5.942  -6.018  -2.147
  353   1HH1  ARG  52          2HH1      ARG  52  -4.393  -6.246  -5.001
  354   2HH1  ARG  52          1HH1      ARG  52  -3.582  -4.727  -4.931
  355   1HH2  ARG  52          1HH2      ARG  52  -4.306  -4.172  -1.604
  356   2HH2  ARG  52          2HH2      ARG  52  -3.587  -3.533  -3.039
  357    H    ASP  53           H        ASP  53  -3.123 -10.363  -7.806
  358    HA   ASP  53           HA       ASP  53  -0.282 -10.003  -8.299
  359   1HB   ASP  53          1HB       ASP  53  -2.689 -10.645  -9.975
  360   2HB   ASP  53          2HB       ASP  53  -1.208 -10.120 -10.778
  361    HA   PRO  54           HA       PRO  54  -0.337  -5.730  -9.362
  362   1HB   PRO  54          1HB       PRO  54   1.586  -5.635 -11.321
  363   2HB   PRO  54          2HB       PRO  54   1.952  -5.844  -9.600
  364   1HG   PRO  54          1HG       PRO  54   2.030  -7.863 -11.793
  365   2HG   PRO  54          2HG       PRO  54   2.939  -7.822 -10.273
  366   1HD   PRO  54          1HD       PRO  54   0.661  -9.421 -10.802
  367   2HD   PRO  54          2HD       PRO  54   1.381  -9.120  -9.205
  368    H    LYS  55           H        LYS  55  -0.094  -7.699 -12.350
  369    HA   LYS  55           HA       LYS  55  -1.301  -5.759 -14.056
  370   1HB   LYS  55          1HB       LYS  55   0.029  -7.732 -14.833
  371   2HB   LYS  55          2HB       LYS  55  -1.322  -8.771 -14.385
  372   1HG   LYS  55          1HG       LYS  55  -2.199  -6.524 -16.016
  373   2HG   LYS  55          2HG       LYS  55  -0.975  -7.489 -16.842
  374   1HD   LYS  55          1HD       LYS  55  -3.169  -8.939 -15.421
  375   2HD   LYS  55          2HD       LYS  55  -3.555  -8.151 -16.951
  376   1HE   LYS  55          1HE       LYS  55  -2.249  -9.581 -18.175
  377   2HE   LYS  55          2HE       LYS  55  -1.046  -9.741 -16.895
  378   1HZ   LYS  55          1HZ       LYS  55  -3.244 -10.884 -15.809
  379   2HZ   LYS  55          3HZ       LYS  55  -3.376 -11.341 -17.437
  380   3HZ   LYS  55          2HZ       LYS  55  -1.973 -11.726 -16.558
  381    H    GLN  56           H        GLN  56  -2.686  -8.105 -11.855
  382    HA   GLN  56           HA       GLN  56  -5.356  -7.870 -13.060
  383   1HB   GLN  56          1HB       GLN  56  -4.124  -9.436 -10.847
  384   2HB   GLN  56          2HB       GLN  56  -5.849  -9.092 -10.714
  385   1HG   GLN  56          1HG       GLN  56  -4.840 -10.039 -13.356
  386   2HG   GLN  56          2HG       GLN  56  -4.944 -11.224 -12.053
  387   1HE2  GLN  56          2HE2      GLN  56  -8.376 -11.630 -12.710
  388   2HE2  GLN  56          1HE2      GLN  56  -6.872 -12.356 -12.405
  389    H    VAL  57           H        VAL  57  -3.715  -6.752 -10.102
  390    HA   VAL  57           HA       VAL  57  -6.067  -5.336  -9.151
  391    HB   VAL  57           HB       VAL  57  -4.556  -4.376  -7.478
  392   1HG1  VAL  57          1HG1      VAL  57  -4.399  -7.303  -8.139
  393   2HG1  VAL  57          3HG1      VAL  57  -3.516  -6.669  -6.750
  394   3HG1  VAL  57          2HG1      VAL  57  -5.270  -6.505  -6.830
  395   1HG2  VAL  57          3HG2      VAL  57  -2.509  -5.368  -9.430
  396   2HG2  VAL  57          2HG2      VAL  57  -2.534  -3.868  -8.503
  397   3HG2  VAL  57          1HG2      VAL  57  -2.102  -5.385  -7.714
  398    H    ILE  58           H        ILE  58  -4.029  -4.741 -11.736
  399    HA   ILE  58           HA       ILE  58  -3.737  -1.879 -11.432
  400    HB   ILE  58           HB       ILE  58  -3.096  -3.929 -13.455
  401   1HG1  ILE  58          1HG1      ILE  58  -1.855  -1.220 -12.989
  402   2HG1  ILE  58          2HG1      ILE  58  -1.610  -2.561 -11.869
  403   1HG2  ILE  58          2HG2      ILE  58  -3.811  -1.120 -14.380
  404   2HG2  ILE  58          1HG2      ILE  58  -2.930  -2.306 -15.343
  405   3HG2  ILE  58          3HG2      ILE  58  -4.606  -2.611 -14.883
  406   1HD1  ILE  58          2HD1      ILE  58  -1.088  -3.816 -14.216
  407   2HD1  ILE  58          1HD1      ILE  58  -0.565  -2.182 -14.624
  408   3HD1  ILE  58          3HD1      ILE  58   0.158  -3.023 -13.252
  409    H    GLY  59           H        GLY  59  -5.308  -0.432 -11.632
  410   1HA   GLY  59          1HA       GLY  59  -7.221   0.608 -12.643
  411   2HA   GLY  59          2HA       GLY  59  -7.555  -0.899 -13.499
  412    H    LYS  60           H        LYS  60  -7.026  -2.192 -10.667
  413    HA   LYS  60           HA       LYS  60  -9.849  -2.278  -9.927
  414   1HB   LYS  60          1HB       LYS  60  -7.461  -3.472  -8.478
  415   2HB   LYS  60          2HB       LYS  60  -9.152  -3.925  -8.273
  416   1HG   LYS  60          1HG       LYS  60  -7.600  -4.197 -10.865
  417   2HG   LYS  60          2HG       LYS  60  -7.905  -5.517  -9.733
  418   1HD   LYS  60          1HD       LYS  60 -10.425  -4.446 -10.094
  419   2HD   LYS  60          2HD       LYS  60  -9.710  -4.292 -11.699
  420   1HE   LYS  60          1HE       LYS  60  -9.780  -6.523 -12.049
  421   2HE   LYS  60          2HE       LYS  60  -9.104  -6.866 -10.457
  422   1HZ   LYS  60          2HZ       LYS  60 -11.895  -5.962 -10.726
  423   2HZ   LYS  60          1HZ       LYS  60 -11.497  -7.596 -10.973
  424   3HZ   LYS  60          3HZ       LYS  60 -11.177  -6.864  -9.477
  425    H    ASN  61           H        ASN  61 -10.781  -1.211  -8.201
  426    HA   ASN  61           HA       ASN  61  -9.262   0.959  -6.973
  427   1HB   ASN  61          1HB       ASN  61 -12.054   0.182  -7.234
  428   2HB   ASN  61          2HB       ASN  61 -11.682   0.655  -5.576
  429   1HD2  ASN  61          2HD2      ASN  61 -11.056   3.467  -8.525
  430   2HD2  ASN  61          1HD2      ASN  61 -10.822   1.827  -8.892
  431    H    PHE  62           H        PHE  62  -7.814   0.410  -5.399
  432    HA   PHE  62           HA       PHE  62  -7.945  -1.995  -3.828
  433   1HB   PHE  62          1HB       PHE  62  -5.817  -0.950  -4.044
  434   2HB   PHE  62          2HB       PHE  62  -6.432   0.602  -3.487
  435    HD1  PHE  62           HD1      PHE  62  -5.881  -2.924  -2.397
  436    HD2  PHE  62           HD2      PHE  62  -6.366   1.166  -1.184
  437    HE1  PHE  62           HE1      PHE  62  -5.284  -3.545  -0.067
  438    HE2  PHE  62           HE2      PHE  62  -5.732   0.552   1.138
  439    HZ   PHE  62           HZ       PHE  62  -5.215  -1.809   1.697
  440    H    PHE  63           H        PHE  63  -9.714   0.913  -3.557
  441    HA   PHE  63           HA       PHE  63 -10.069   0.583  -0.645
  442   1HB   PHE  63          1HB       PHE  63 -10.871   2.692  -2.637
  443   2HB   PHE  63          2HB       PHE  63 -11.592   2.652  -1.027
  444    HD1  PHE  63           HD2      PHE  63  -9.724   2.131   0.897
  445    HD2  PHE  63           HD1      PHE  63  -9.013   4.065  -2.865
  446    HE1  PHE  63           HE2      PHE  63  -7.708   3.219   1.839
  447    HE2  PHE  63           HE1      PHE  63  -6.997   5.158  -1.923
  448    HZ   PHE  63           HZ       PHE  63  -6.345   4.732   0.431
  449    H    LYS  64           H        LYS  64 -11.300  -1.119  -3.036
  450    HA   LYS  64           HA       LYS  64 -13.655  -1.909  -1.637
  451   1HB   LYS  64          1HB       LYS  64 -14.542   0.271  -2.312
  452   2HB   LYS  64          2HB       LYS  64 -14.125  -0.056  -3.993
  453   1HG   LYS  64          1HG       LYS  64 -15.696  -1.918  -4.067
  454   2HG   LYS  64          2HG       LYS  64 -16.049  -1.727  -2.349
  455   1HD   LYS  64          1HD       LYS  64 -16.961   0.515  -2.766
  456   2HD   LYS  64          2HD       LYS  64 -16.571   0.367  -4.480
  457   1HE   LYS  64          1HE       LYS  64 -18.012  -1.937  -3.997
  458   2HE   LYS  64          2HE       LYS  64 -18.829  -0.756  -2.973
  459   1HZ   LYS  64          2HZ       LYS  64 -18.915   0.733  -4.923
  460   2HZ   LYS  64          1HZ       LYS  64 -18.290  -0.522  -5.881
  461   3HZ   LYS  64          3HZ       LYS  64 -19.803  -0.699  -5.137
  462    H    ASP  65           H        ASP  65 -12.468  -1.470  -4.989
  463    HA   ASP  65           HA       ASP  65 -13.652  -3.910  -5.936
  464   1HB   ASP  65          1HB       ASP  65 -12.284  -1.751  -7.077
  465   2HB   ASP  65          2HB       ASP  65 -11.265  -3.154  -7.404
  466    H    VAL  66           H        VAL  66 -10.867  -3.373  -3.959
  467    HA   VAL  66           HA       VAL  66  -9.988  -6.168  -4.558
  468    HB   VAL  66           HB       VAL  66  -8.217  -4.002  -3.457
  469   1HG1  VAL  66          3HG1      VAL  66  -7.734  -6.599  -4.933
  470   2HG1  VAL  66          2HG1      VAL  66  -6.470  -5.488  -4.420
  471   3HG1  VAL  66          1HG1      VAL  66  -7.467  -6.305  -3.217
  472   1HG2  VAL  66          3HG2      VAL  66  -9.150  -4.352  -6.226
  473   2HG2  VAL  66          2HG2      VAL  66  -8.430  -2.945  -5.446
  474   3HG2  VAL  66          1HG2      VAL  66  -7.398  -4.245  -6.044
  475    H    ALA  67           H        ALA  67  -9.669  -3.575  -2.191
  476    HA   ALA  67           HA       ALA  67 -10.021  -5.578  -0.013
  477   1HB   ALA  67          2HB       ALA  67  -8.356  -3.109  -0.352
  478   2HB   ALA  67          1HB       ALA  67  -8.813  -3.636   1.269
  479   3HB   ALA  67          3HB       ALA  67  -7.874  -4.704   0.225
  480    HA   PRO  68           HA       PRO  68 -13.698  -2.899   0.340
  481   1HB   PRO  68          1HB       PRO  68 -15.252  -4.816   1.560
  482   2HB   PRO  68          2HB       PRO  68 -15.078  -4.658  -0.198
  483   1HG   PRO  68          1HG       PRO  68 -13.860  -6.675   1.641
  484   2HG   PRO  68          2HG       PRO  68 -14.282  -6.828  -0.073
  485   1HD   PRO  68          1HD       PRO  68 -11.685  -6.412   0.932
  486   2HD   PRO  68          2HD       PRO  68 -12.192  -6.163  -0.753
  487    H    CYS  69           H        CYS  69 -11.516  -4.167   2.555
  488    HA   CYS  69           HA       CYS  69 -13.019  -3.310   4.950
  489   1HB   CYS  69          1HB       CYS  69 -11.248  -4.302   6.217
  490   2HB   CYS  69          2HB       CYS  69 -11.530  -5.396   4.866
  491    H    THR  70           H        THR  70 -10.513  -2.197   2.793
  492    HA   THR  70           HA       THR  70  -9.474  -0.155   4.570
  493    HB   THR  70           HB       THR  70  -8.392   0.712   2.464
  494    HG1  THR  70           HG1      THR  70 -10.183  -0.168   1.153
  495   1HG2  THR  70          2HG2      THR  70  -8.087  -1.918   3.708
  496   2HG2  THR  70          1HG2      THR  70  -7.451  -1.864   2.064
  497   3HG2  THR  70          3HG2      THR  70  -6.856  -0.730   3.277
  498    H    ASP  71           H        ASP  71 -12.443  -0.404   3.092
  499    HA   ASP  71           HA       ASP  71 -12.666   2.458   2.419
  500   1HB   ASP  71          1HB       ASP  71 -13.822   0.437   1.194
  501   2HB   ASP  71          2HB       ASP  71 -14.991   0.549   2.509
  502    H    SER  72           H        SER  72 -11.958   2.287   4.983
  503    HA   SER  72           HA       SER  72 -14.484   2.809   6.493
  504   1HB   SER  72          1HB       SER  72 -12.110   2.065   8.077
  505   2HB   SER  72          2HB       SER  72 -13.779   1.521   8.232
  506    HG   SER  72           HG       SER  72 -13.300  -0.160   7.072
  507    HA   PRO  73           HA       PRO  73 -12.696   6.667   7.656
  508   1HB   PRO  73          1HB       PRO  73 -13.100   6.843  10.368
  509   2HB   PRO  73          2HB       PRO  73 -14.394   7.004   9.168
  510   1HG   PRO  73          1HG       PRO  73 -13.795   4.721  10.987
  511   2HG   PRO  73          2HG       PRO  73 -15.334   5.195  10.248
  512   1HD   PRO  73          1HD       PRO  73 -13.642   3.095   9.381
  513   2HD   PRO  73          2HD       PRO  73 -15.021   3.767   8.486
  514    H    GLU  74           H        GLU  74 -11.136   3.884   8.715
  515    HA   GLU  74           HA       GLU  74  -8.985   5.436  10.043
  516   1HB   GLU  74          1HB       GLU  74  -9.519   2.461  10.069
  517   2HB   GLU  74          2HB       GLU  74  -8.202   3.269  10.918
  518   1HG   GLU  74          1HG       GLU  74 -10.220   4.729  11.887
  519   2HG   GLU  74          2HG       GLU  74 -11.126   3.258  11.529
  520    H    PHE  75           H        PHE  75  -9.760   3.349   7.364
  521    HA   PHE  75           HA       PHE  75  -6.915   3.364   6.475
  522   1HB   PHE  75          1HB       PHE  75  -8.712   1.315   6.454
  523   2HB   PHE  75          2HB       PHE  75  -8.985   1.987   4.847
  524    HD1  PHE  75           HD1      PHE  75  -6.859   2.502   3.426
  525    HD2  PHE  75           HD2      PHE  75  -6.901  -0.149   6.807
  526    HE1  PHE  75           HE1      PHE  75  -4.781   1.426   2.609
  527    HE2  PHE  75           HE2      PHE  75  -4.813  -1.220   5.989
  528    HZ   PHE  75           HZ       PHE  75  -3.758  -0.431   3.890
  529    H    TYR  76           H        TYR  76 -10.070   3.606   4.771
  530    HA   TYR  76           HA       TYR  76  -8.947   5.473   2.841
  531   1HB   TYR  76          1HB       TYR  76 -10.897   3.899   2.381
  532   2HB   TYR  76          2HB       TYR  76 -11.889   4.969   3.370
  533    HD1  TYR  76           HD2      TYR  76  -9.204   5.532   0.802
  534    HD2  TYR  76           HD1      TYR  76 -13.235   6.338   2.049
  535    HE1  TYR  76           HE2      TYR  76  -9.494   7.058  -1.135
  536    HE2  TYR  76           HE1      TYR  76 -13.528   7.863   0.115
  537    HH   TYR  76           HH       TYR  76 -11.943   9.273  -1.368
  538    H    GLY  77           H        GLY  77 -10.207   5.730   6.017
  539   1HA   GLY  77          1HA       GLY  77 -11.345   8.352   5.936
  540   2HA   GLY  77          2HA       GLY  77 -10.683   7.574   7.364
  541    H    LYS  78           H        LYS  78  -8.155   7.351   7.173
  542    HA   LYS  78           HA       LYS  78  -7.111  10.017   7.221
  543   1HB   LYS  78          1HB       LYS  78  -5.354   7.600   6.837
  544   2HB   LYS  78          2HB       LYS  78  -5.040   9.056   7.777
  545   1HG   LYS  78          1HG       LYS  78  -6.771   6.698   8.469
  546   2HG   LYS  78          2HG       LYS  78  -5.545   7.490   9.449
  547   1HD   LYS  78          1HD       LYS  78  -7.336   9.534   9.082
  548   2HD   LYS  78          2HD       LYS  78  -8.411   8.137   9.121
  549   1HE   LYS  78          1HE       LYS  78  -7.971   7.690  11.324
  550   2HE   LYS  78          2HE       LYS  78  -6.282   8.175  11.190
  551   1HZ   LYS  78          3HZ       LYS  78  -8.133  10.347  10.830
  552   2HZ   LYS  78          2HZ       LYS  78  -8.235   9.626  12.366
  553   3HZ   LYS  78          1HZ       LYS  78  -6.753  10.248  11.813
  554    H    PHE  79           H        PHE  79  -7.694   7.877   4.629
  555    HA   PHE  79           HA       PHE  79  -5.706   8.965   2.837
  556   1HB   PHE  79          1HB       PHE  79  -6.584   6.722   2.485
  557   2HB   PHE  79          2HB       PHE  79  -8.222   7.355   2.396
  558    HD1  PHE  79           HD1      PHE  79  -8.695   9.116   0.515
  559    HD2  PHE  79           HD2      PHE  79  -5.312   6.459   0.507
  560    HE1  PHE  79           HE1      PHE  79  -8.459   9.406  -1.939
  561    HE2  PHE  79           HE2      PHE  79  -5.113   6.734  -1.931
  562    HZ   PHE  79           HZ       PHE  79  -6.656   8.216  -3.149
  563    H    LYS  80           H        LYS  80  -9.144   9.495   3.481
  564    HA   LYS  80           HA       LYS  80  -9.402  11.478   1.417
  565   1HB   LYS  80          1HB       LYS  80 -11.123  10.246   3.460
  566   2HB   LYS  80          2HB       LYS  80 -11.506  11.929   3.097
  567   1HG   LYS  80          1HG       LYS  80 -11.441  11.280   0.632
  568   2HG   LYS  80          2HG       LYS  80 -11.400   9.600   1.169
  569   1HD   LYS  80          1HD       LYS  80 -13.672   9.790   1.079
  570   2HD   LYS  80          2HD       LYS  80 -13.466  10.538   2.664
  571   1HE   LYS  80          1HE       LYS  80 -14.551  12.308   1.746
  572   2HE   LYS  80          2HE       LYS  80 -12.999  12.660   0.986
  573   1HZ   LYS  80          3HZ       LYS  80 -13.862  10.965  -0.770
  574   2HZ   LYS  80          2HZ       LYS  80 -15.388  11.394  -0.158
  575   3HZ   LYS  80          1HZ       LYS  80 -14.370  12.582  -0.822
  576    H    GLU  81           H        GLU  81  -7.955  11.423   4.435
  577    HA   GLU  81           HA       GLU  81  -8.524  14.294   4.999
  578   1HB   GLU  81          1HB       GLU  81  -6.778  12.400   6.599
  579   2HB   GLU  81          2HB       GLU  81  -7.500  13.917   7.140
  580   1HG   GLU  81          1HG       GLU  81  -9.563  12.171   6.132
  581   2HG   GLU  81          2HG       GLU  81  -8.608  11.321   7.348
  582    H    GLY  82           H        GLY  82  -5.910  12.070   4.256
  583   1HA   GLY  82          1HA       GLY  82  -3.818  14.067   4.200
  584   2HA   GLY  82          2HA       GLY  82  -3.717  12.454   3.483
  585    H    VAL  83           H        VAL  83  -5.971  12.614   1.800
  586    HA   VAL  83           HA       VAL  83  -4.883  13.838  -0.536
  587    HB   VAL  83           HB       VAL  83  -7.769  13.134   0.090
  588   1HG1  VAL  83          2HG1      VAL  83  -6.639  14.517  -2.122
  589   2HG1  VAL  83          1HG1      VAL  83  -7.042  12.894  -2.679
  590   3HG1  VAL  83          3HG1      VAL  83  -8.286  13.912  -1.955
  591   1HG2  VAL  83          1HG2      VAL  83  -5.609  11.441  -0.038
  592   2HG2  VAL  83          3HG2      VAL  83  -7.269  10.973  -0.407
  593   3HG2  VAL  83          2HG2      VAL  83  -6.175  11.431  -1.709
  594    H    ALA  84           H        ALA  84  -7.248  15.010   1.840
  595    HA   ALA  84           HA       ALA  84  -7.628  17.523   0.358
  596   1HB   ALA  84          3HB       ALA  84  -9.479  16.372   1.622
  597   2HB   ALA  84          2HB       ALA  84  -8.639  16.785   3.116
  598   3HB   ALA  84          1HB       ALA  84  -9.248  18.063   2.066
  599    H    SER  85           H        SER  85  -5.310  16.390   2.541
  600    HA   SER  85           HA       SER  85  -4.880  19.097   3.701
  601   1HB   SER  85          1HB       SER  85  -4.758  16.659   4.909
  602   2HB   SER  85          2HB       SER  85  -3.069  16.886   4.471
  603    HG   SER  85           HG       SER  85  -4.735  18.634   5.966
  604    H    GLY  86           H        GLY  86  -3.648  16.958   1.287
  605   1HA   GLY  86          1HA       GLY  86  -2.009  17.441  -0.349
  606   2HA   GLY  86          2HA       GLY  86  -1.673  18.960   0.491
  607    H    ASN  87           H        ASN  87  -1.668  16.178   2.517
  608    HA   ASN  87           HA       ASN  87   1.162  15.549   2.129
  609   1HB   ASN  87          1HB       ASN  87   0.764  17.756   3.631
  610   2HB   ASN  87          2HB       ASN  87   0.597  16.525   4.883
  611   1HD2  ASN  87          2HD2      ASN  87   4.016  15.383   4.511
  612   2HD2  ASN  87          1HD2      ASN  87   2.456  14.803   4.843
  613    H    LEU  88           H        LEU  88  -0.421  13.604   1.846
  614    HA   LEU  88           HA       LEU  88  -1.699  12.378   4.059
  615   1HB   LEU  88          1HB       LEU  88  -1.486  11.771   1.423
  616   2HB   LEU  88          2HB       LEU  88  -0.384  10.574   2.107
  617    HG   LEU  88           HG       LEU  88  -2.684  10.650   3.778
  618   1HD1  LEU  88          3HD1      LEU  88  -3.566  11.649   1.480
  619   2HD1  LEU  88          2HD1      LEU  88  -3.556   9.953   1.001
  620   3HD1  LEU  88          1HD1      LEU  88  -4.523  10.475   2.381
  621   1HD2  LEU  88          1HD2      LEU  88  -1.028   8.769   3.085
  622   2HD2  LEU  88          3HD2      LEU  88  -2.718   8.331   3.341
  623   3HD2  LEU  88          2HD2      LEU  88  -2.100   8.541   1.702
  624    H    ASN  89           H        ASN  89  -0.844  11.509   5.883
  625    HA   ASN  89           HA       ASN  89   1.648   9.995   5.801
  626   1HB   ASN  89          1HB       ASN  89   2.551  12.281   5.940
  627   2HB   ASN  89          2HB       ASN  89   1.537  12.607   7.347
  628   1HD2  ASN  89          2HD2      ASN  89   4.314   9.668   8.050
  629   2HD2  ASN  89          1HD2      ASN  89   3.294   9.549   6.701
  630    H    THR  90           H        THR  90   0.079   8.409   6.606
  631    HA   THR  90           HA       THR  90  -0.262   8.687   9.551
  632    HB   THR  90           HB       THR  90  -2.372   9.498   8.584
  633    HG1  THR  90           HG1      THR  90  -3.702   8.023   9.673
  634   1HG2  THR  90          1HG2      THR  90  -1.877   7.616   6.614
  635   2HG2  THR  90          3HG2      THR  90  -3.212   6.904   7.520
  636   3HG2  THR  90          2HG2      THR  90  -3.382   8.513   6.818
  637    H    MET  91           H        MET  91  -1.168   6.548  10.465
  638    HA   MET  91           HA       MET  91  -0.589   4.137   8.893
  639   1HB   MET  91          1HB       MET  91   1.054   3.362  10.737
  640   2HB   MET  91          2HB       MET  91   1.664   4.503   9.541
  641   1HG   MET  91          2HG       MET  91   1.193   6.373  11.099
  642   2HG   MET  91          1HG       MET  91   0.633   5.211  12.304
  643   1HE   MET  91          2HE       MET  91   1.705   4.273  13.845
  644   2HE   MET  91          1HE       MET  91   2.587   2.981  13.035
  645   3HE   MET  91          3HE       MET  91   3.431   4.075  14.138
  646    H    PHE  92           H        PHE  92  -0.922   2.145  10.412
  647    HA   PHE  92           HA       PHE  92  -2.232   2.403  12.924
  648   1HB   PHE  92          1HB       PHE  92  -4.604   1.952  12.146
  649   2HB   PHE  92          2HB       PHE  92  -4.014   3.584  11.830
  650    HD1  PHE  92           HD1      PHE  92  -4.181   0.195  10.219
  651    HD2  PHE  92           HD2      PHE  92  -4.149   4.449   9.668
  652    HE1  PHE  92           HE1      PHE  92  -4.595  -0.119   7.804
  653    HE2  PHE  92           HE2      PHE  92  -4.557   4.133   7.243
  654    HZ   PHE  92           HZ       PHE  92  -4.749   1.842   6.311
  655    H    GLU  93           H        GLU  93  -3.036   0.336  13.693
  656    HA   GLU  93           HA       GLU  93  -1.805  -1.939  12.317
  657   1HB   GLU  93          1HB       GLU  93  -3.012  -1.396  14.953
  658   2HB   GLU  93          2HB       GLU  93  -3.321  -3.020  14.339
  659   1HG   GLU  93          1HG       GLU  93  -0.610  -2.493  13.771
  660   2HG   GLU  93          2HG       GLU  93  -0.873  -1.925  15.420
  661    H    TYR  94           H        TYR  94  -2.852  -3.264  10.890
  662    HA   TYR  94           HA       TYR  94  -5.835  -3.279  10.953
  663   1HB   TYR  94          1HB       TYR  94  -4.309  -2.015   8.987
  664   2HB   TYR  94          2HB       TYR  94  -4.754  -3.560   8.261
  665    HD1  TYR  94           HD1      TYR  94  -6.307  -0.865  10.368
  666    HD2  TYR  94           HD2      TYR  94  -6.797  -3.679   7.162
  667    HE1  TYR  94           HE1      TYR  94  -8.610  -0.026   9.984
  668    HE2  TYR  94           HE2      TYR  94  -9.096  -2.839   6.778
  669    HH   TYR  94           HH       TYR  94 -10.305  -0.489   7.281
  670    H    THR  95           H        THR  95  -6.673  -5.147   9.564
  671    HA   THR  95           HA       THR  95  -4.798  -7.452   9.479
  672    HB   THR  95           HB       THR  95  -7.499  -7.465  10.870
  673    HG1  THR  95           HG1      THR  95  -4.818  -7.667  11.735
  674   1HG2  THR  95          1HG2      THR  95  -6.249  -9.544   9.483
  675   2HG2  THR  95          3HG2      THR  95  -5.827  -9.830  11.171
  676   3HG2  THR  95          2HG2      THR  95  -7.520  -9.713  10.693
  677    H    PHE  96           H        PHE  96  -4.959  -8.218   7.428
  678    HA   PHE  96           HA       PHE  96  -7.422  -7.658   5.886
  679   1HB   PHE  96          1HB       PHE  96  -4.831  -8.973   5.016
  680   2HB   PHE  96          2HB       PHE  96  -6.150  -8.501   3.950
  681    HD1  PHE  96           HD1      PHE  96  -6.751  -5.872   5.633
  682    HD2  PHE  96           HD2      PHE  96  -3.212  -7.552   3.865
  683    HE1  PHE  96           HE1      PHE  96  -5.770  -3.605   5.438
  684    HE2  PHE  96           HE2      PHE  96  -2.234  -5.283   3.673
  685    HZ   PHE  96           HZ       PHE  96  -3.513  -3.310   4.459
  686    H    ASP  97           H        ASP  97  -9.029  -9.116   5.799
  687    HA   ASP  97           HA       ASP  97  -8.367 -12.012   5.804
  688   1HB   ASP  97          1HB       ASP  97  -9.049 -11.006   8.157
  689   2HB   ASP  97          2HB       ASP  97 -10.676 -11.079   7.479
  690    H    TYR  98           H        TYR  98  -9.086 -10.515   3.593
  691    HA   TYR  98           HA       TYR  98 -11.988 -10.719   3.194
  692   1HB   TYR  98          1HB       TYR  98 -11.551  -9.754   0.994
  693   2HB   TYR  98          2HB       TYR  98 -10.720  -8.834   2.237
  694    HD1  TYR  98           HD2      TYR  98  -8.756 -11.700   2.096
  695    HD2  TYR  98           HD1      TYR  98  -9.793  -8.295  -0.320
  696    HE1  TYR  98           HE2      TYR  98  -6.644 -11.947   0.832
  697    HE2  TYR  98           HE1      TYR  98  -7.668  -8.549  -1.570
  698    HH   TYR  98           HH       TYR  98  -6.050 -10.259  -2.089
  699    H    GLN  99           H        GLN  99 -11.688 -13.172   3.670
  700    HA   GLN  99           HA       GLN  99 -12.085 -15.293   2.793
  701   1HB   GLN  99          1HB       GLN  99 -12.896 -15.460   0.668
  702   2HB   GLN  99          2HB       GLN  99 -12.863 -13.707   0.732
  703   1HG   GLN  99          1HG       GLN  99 -11.667 -13.877  -1.189
  704   2HG   GLN  99          2HG       GLN  99 -10.310 -14.270  -0.138
  705   1HE2  GLN  99          2HE2      GLN  99 -12.288 -17.491  -1.784
  706   2HE2  GLN  99          1HE2      GLN  99 -13.191 -16.169  -1.218
  707    H    MET 100           H        MET 100  -9.495 -14.238   3.623
  708    HA   MET 100           HA       MET 100  -7.807 -16.322   2.344
  709   1HB   MET 100          1HB       MET 100  -7.399 -13.944   1.375
  710   2HB   MET 100          2HB       MET 100  -6.681 -13.584   2.945
  711   1HG   MET 100          2HG       MET 100  -5.746 -16.127   1.836
  712   2HG   MET 100          1HG       MET 100  -5.362 -14.751   0.800
  713   1HE   MET 100          1HE       MET 100  -5.011 -12.603   1.805
  714   2HE   MET 100          3HE       MET 100  -4.577 -12.275   3.489
  715   3HE   MET 100          2HE       MET 100  -3.317 -12.486   2.276
  716    H    THR 101           H        THR 101  -5.731 -16.573   3.759
  717    HA   THR 101           HA       THR 101  -6.450 -17.226   6.393
  718    HB   THR 101           HB       THR 101  -3.750 -16.530   6.606
  719    HG1  THR 101           HG1      THR 101  -4.135 -17.691   4.071
  720   1HG2  THR 101          2HG2      THR 101  -5.281 -18.756   6.888
  721   2HG2  THR 101          1HG2      THR 101  -4.361 -19.180   5.445
  722   3HG2  THR 101          3HG2      THR 101  -3.518 -18.769   6.939
  723    HA   PRO 102           HA       PRO 102  -6.440 -13.457   8.639
  724   1HB   PRO 102          1HB       PRO 102  -5.154 -14.118  10.979
  725   2HB   PRO 102          2HB       PRO 102  -6.797 -14.649  10.578
  726   1HG   PRO 102          1HG       PRO 102  -4.263 -16.220  10.568
  727   2HG   PRO 102          2HG       PRO 102  -5.929 -16.779  10.783
  728   1HD   PRO 102          1HD       PRO 102  -4.400 -16.984   8.408
  729   2HD   PRO 102          2HD       PRO 102  -6.150 -17.248   8.552
  730    H    THR 103           H        THR 103  -5.018 -12.171   7.295
  731    HA   THR 103           HA       THR 103  -2.128 -12.249   7.867
  732    HB   THR 103           HB       THR 103  -3.805 -10.623   5.934
  733    HG1  THR 103           HG1      THR 103  -3.370 -12.810   5.430
  734   1HG2  THR 103          2HG2      THR 103  -1.048 -10.190   6.905
  735   2HG2  THR 103          1HG2      THR 103  -1.197 -10.253   5.149
  736   3HG2  THR 103          3HG2      THR 103  -2.134  -9.077   6.074
  737    H    LYS 104           H        LYS 104  -1.116 -10.879   9.202
  738    HA   LYS 104           HA       LYS 104  -2.679  -8.586  10.316
  739   1HB   LYS 104          1HB       LYS 104  -0.639  -8.763  12.063
  740   2HB   LYS 104          2HB       LYS 104  -2.098  -9.729  12.262
  741   1HG   LYS 104          1HG       LYS 104   0.170 -10.814  10.617
  742   2HG   LYS 104          2HG       LYS 104   0.265 -10.881  12.375
  743   1HD   LYS 104          1HD       LYS 104  -2.147 -11.890  10.859
  744   2HD   LYS 104          2HD       LYS 104  -0.769 -12.923  11.234
  745   1HE   LYS 104          1HE       LYS 104  -2.065 -11.313  13.416
  746   2HE   LYS 104          2HE       LYS 104  -2.787 -12.838  12.902
  747   1HZ   LYS 104          2HZ       LYS 104  -0.350 -13.679  13.150
  748   2HZ   LYS 104          1HZ       LYS 104  -0.198 -12.346  14.192
  749   3HZ   LYS 104          3HZ       LYS 104  -1.353 -13.546  14.515
  750    H    VAL 105           H        VAL 105  -1.656  -6.522  10.198
  751    HA   VAL 105           HA       VAL 105   1.131  -6.380   9.237
  752    HB   VAL 105           HB       VAL 105   0.632  -5.183   7.198
  753   1HG1  VAL 105          1HG1      VAL 105   0.585  -7.687   7.121
  754   2HG1  VAL 105          3HG1      VAL 105  -1.163  -7.628   7.311
  755   3HG1  VAL 105          2HG1      VAL 105  -0.407  -6.947   5.874
  756   1HG2  VAL 105          3HG2      VAL 105  -2.256  -5.416   8.087
  757   2HG2  VAL 105          2HG2      VAL 105  -1.345  -3.945   7.746
  758   3HG2  VAL 105          1HG2      VAL 105  -1.800  -5.025   6.428
  759    H    LYS 106           H        LYS 106   2.024  -4.333   9.644
  760    HA   LYS 106           HA       LYS 106   0.205  -2.391  10.995
  761   1HB   LYS 106          1HB       LYS 106   2.214  -1.302  11.888
  762   2HB   LYS 106          2HB       LYS 106   2.265  -3.014  12.288
  763   1HG   LYS 106          1HG       LYS 106   3.526  -2.601   9.742
  764   2HG   LYS 106          2HG       LYS 106   4.226  -1.498  10.915
  765   1HD   LYS 106          1HD       LYS 106   3.777  -4.338  11.739
  766   2HD   LYS 106          2HD       LYS 106   5.131  -3.987  10.663
  767   1HE   LYS 106          1HE       LYS 106   5.952  -3.833  12.926
  768   2HE   LYS 106          2HE       LYS 106   5.844  -2.191  12.293
  769   1HZ   LYS 106          2HZ       LYS 106   3.720  -3.492  13.904
  770   2HZ   LYS 106          1HZ       LYS 106   4.907  -2.465  14.553
  771   3HZ   LYS 106          3HZ       LYS 106   3.791  -1.862  13.426
  772    H    VAL 107           H        VAL 107  -0.510  -0.835   9.616
  773    HA   VAL 107           HA       VAL 107   0.764  -0.682   6.985
  774    HB   VAL 107           HB       VAL 107  -1.276   0.048   6.198
  775   1HG1  VAL 107          1HG1      VAL 107  -1.646  -1.767   8.062
  776   2HG1  VAL 107          3HG1      VAL 107  -2.562  -0.460   8.802
  777   3HG1  VAL 107          2HG1      VAL 107  -2.991  -1.029   7.193
  778   1HG2  VAL 107          1HG2      VAL 107  -0.893   2.290   7.641
  779   2HG2  VAL 107          3HG2      VAL 107  -2.397   1.919   6.839
  780   3HG2  VAL 107          2HG2      VAL 107  -2.210   1.591   8.556
  781    H    HIS 108           H        HIS 108   1.144   1.365   5.929
  782    HA   HIS 108           HA       HIS 108   1.542   3.785   7.488
  783   1HB   HIS 108          1HB       HIS 108   3.678   2.139   7.737
  784   2HB   HIS 108          2HB       HIS 108   4.103   2.958   6.229
  785    HD1  HIS 108           HD1      HIS 108   5.479   3.484   9.094
  786    HD2  HIS 108           HD2      HIS 108   2.585   5.870   7.268
  787    HE1  HIS 108           HE1      HIS 108   5.719   5.796  10.101
  788    H    MET 109           H        MET 109   0.451   4.949   5.983
  789    HA   MET 109           HA       MET 109   1.211   4.636   3.102
  790   1HB   MET 109          1HB       MET 109  -1.251   6.145   3.714
  791   2HB   MET 109          2HB       MET 109  -1.005   4.839   2.569
  792   1HG   MET 109          2HG       MET 109  -2.393   3.731   4.040
  793   2HG   MET 109          1HG       MET 109  -0.867   3.405   4.856
  794   1HE   MET 109          1HE       MET 109  -3.715   5.880   4.371
  795   2HE   MET 109          3HE       MET 109  -4.383   4.556   5.334
  796   3HE   MET 109          2HE       MET 109  -4.273   6.177   6.015
  797    H    LYS 110           H        LYS 110   1.547   6.614   1.806
  798    HA   LYS 110           HA       LYS 110   1.419   9.172   3.322
  799   1HB   LYS 110          1HB       LYS 110   3.804   7.842   3.395
  800   2HB   LYS 110          2HB       LYS 110   4.005   8.796   1.925
  801   1HG   LYS 110          1HG       LYS 110   3.445  10.841   3.143
  802   2HG   LYS 110          2HG       LYS 110   3.176   9.910   4.615
  803   1HD   LYS 110          1HD       LYS 110   5.380   9.884   5.085
  804   2HD   LYS 110          2HD       LYS 110   5.767   9.290   3.471
  805   1HE   LYS 110          1HE       LYS 110   4.941  12.075   3.388
  806   2HE   LYS 110          2HE       LYS 110   6.309  11.849   4.477
  807   1HZ   LYS 110          3HZ       LYS 110   7.285  10.465   2.592
  808   2HZ   LYS 110          2HZ       LYS 110   6.115  11.197   1.603
  809   3HZ   LYS 110          1HZ       LYS 110   7.274  12.151   2.399
  810    H    LYS 111           H        LYS 111   1.891  11.045   1.761
  811    HA   LYS 111           HA       LYS 111   0.495  10.577  -0.723
  812   1HB   LYS 111          1HB       LYS 111   1.147  12.959  -1.221
  813   2HB   LYS 111          2HB       LYS 111   0.299  12.748   0.307
  814   1HG   LYS 111          1HG       LYS 111   2.033  13.762   1.330
  815   2HG   LYS 111          2HG       LYS 111   3.024  12.366   0.905
  816   1HD   LYS 111          1HD       LYS 111   4.116  13.500  -0.719
  817   2HD   LYS 111          2HD       LYS 111   2.626  14.210  -1.338
  818   1HE   LYS 111          1HE       LYS 111   3.003  15.439   1.145
  819   2HE   LYS 111          2HE       LYS 111   4.616  15.374   0.435
  820   1HZ   LYS 111          2HZ       LYS 111   2.417  16.181  -1.304
  821   2HZ   LYS 111          1HZ       LYS 111   2.914  17.295  -0.123
  822   3HZ   LYS 111          3HZ       LYS 111   4.027  16.722  -1.267
  823    H    ALA 112           H        ALA 112   1.374   9.685  -2.482
  824    HA   ALA 112           HA       ALA 112   4.181   9.201  -2.795
  825   1HB   ALA 112          1HB       ALA 112   1.938   8.186  -3.918
  826   2HB   ALA 112          3HB       ALA 112   2.473   9.253  -5.217
  827   3HB   ALA 112          2HB       ALA 112   3.543   7.985  -4.618
  828    H    LEU 113           H        LEU 113   5.753  10.474  -3.731
  829    HA   LEU 113           HA       LEU 113   5.070  13.218  -4.367
  830   1HB   LEU 113          1HB       LEU 113   7.377  13.650  -4.511
  831   2HB   LEU 113          2HB       LEU 113   7.249  12.396  -3.290
  832    HG   LEU 113           HG       LEU 113   9.069  11.732  -4.635
  833   1HD1  LEU 113          3HD1      LEU 113   6.595  10.278  -5.573
  834   2HD1  LEU 113          2HD1      LEU 113   8.225   9.754  -5.964
  835   3HD1  LEU 113          1HD1      LEU 113   7.697   9.815  -4.284
  836   1HD2  LEU 113          1HD2      LEU 113   8.002  13.351  -6.559
  837   2HD2  LEU 113          3HD2      LEU 113   9.358  12.255  -6.822
  838   3HD2  LEU 113          2HD2      LEU 113   7.724  11.756  -7.260
  839    H    SER 114           H        SER 114   4.747  10.473  -6.216
  840    HA   SER 114           HA       SER 114   5.765  11.285  -8.746
  841   1HB   SER 114          1HB       SER 114   3.720   9.355  -7.784
  842   2HB   SER 114          2HB       SER 114   3.586   9.859  -9.466
  843    HG   SER 114           HG       SER 114   5.002   7.994  -8.949
  844    H    GLY 115           H        GLY 115   3.004  12.298  -6.907
  845   1HA   GLY 115          1HA       GLY 115   2.519  14.664  -8.308
  846   2HA   GLY 115          2HA       GLY 115   1.481  13.453  -9.068
  847    H    ASP 116           H        ASP 116   2.450  13.817  -5.662
  848    HA   ASP 116           HA       ASP 116   1.141  14.026  -3.729
  849   1HB   ASP 116          1HB       ASP 116   0.358  16.079  -5.102
  850   2HB   ASP 116          2HB       ASP 116  -1.065  15.107  -5.481
  851    H    SER 117           H        SER 117   1.062  11.602  -5.362
  852    HA   SER 117           HA       SER 117  -1.657  10.639  -5.522
  853   1HB   SER 117          1HB       SER 117   0.496   8.642  -5.170
  854   2HB   SER 117          2HB       SER 117  -0.734   8.761  -6.425
  855    HG   SER 117           HG       SER 117   0.502  10.518  -7.292
  856    H    TYR 118           H        TYR 118  -1.351   8.094  -4.232
  857    HA   TYR 118           HA       TYR 118  -0.941   8.706  -1.363
  858   1HB   TYR 118          1HB       TYR 118  -3.552   7.467  -2.181
  859   2HB   TYR 118          2HB       TYR 118  -3.176   8.309  -0.684
  860    HD1  TYR 118           HD2      TYR 118  -2.817  10.829  -0.776
  861    HD2  TYR 118           HD1      TYR 118  -4.427   8.546  -4.031
  862    HE1  TYR 118           HE2      TYR 118  -3.721  12.896  -1.786
  863    HE2  TYR 118           HE1      TYR 118  -5.328  10.596  -5.037
  864    HH   TYR 118           HH       TYR 118  -5.259  13.674  -3.341
  865    H    TRP 119           H        TRP 119   0.441   7.002  -0.907
  866    HA   TRP 119           HA       TRP 119  -0.408   4.359  -1.897
  867   1HB   TRP 119          1HB       TRP 119   1.987   3.664  -1.718
  868   2HB   TRP 119          2HB       TRP 119   1.613   4.807  -2.996
  869    HD1  TRP 119           HD1      TRP 119   3.101   6.843  -3.083
  870    HE1  TRP 119           HE1      TRP 119   4.843   7.933  -1.524
  871    HE3  TRP 119           HE3      TRP 119   2.354   4.037   0.948
  872    HZ2  TRP 119           HZ2      TRP 119   5.790   7.593   1.170
  873    HZ3  TRP 119           HZ3      TRP 119   3.657   4.376   3.051
  874    HH2  TRP 119           HH2      TRP 119   5.380   6.154   3.151
  875    H    VAL 120           H        VAL 120  -0.416   2.609  -0.621
  876    HA   VAL 120           HA       VAL 120  -0.094   3.144   2.296
  877    HB   VAL 120           HB       VAL 120  -2.014   1.163   1.021
  878   1HG1  VAL 120          3HG1      VAL 120  -1.181   1.855   3.739
  879   2HG1  VAL 120          2HG1      VAL 120  -2.928   1.934   3.519
  880   3HG1  VAL 120          1HG1      VAL 120  -2.059   0.442   3.159
  881   1HG2  VAL 120          3HG2      VAL 120  -2.529   3.548   0.412
  882   2HG2  VAL 120          2HG2      VAL 120  -3.775   2.786   1.398
  883   3HG2  VAL 120          1HG2      VAL 120  -2.639   3.917   2.132
  884    H    PHE 121           H        PHE 121   1.776   2.122   2.865
  885    HA   PHE 121           HA       PHE 121   2.547  -0.404   1.550
  886   1HB   PHE 121          1HB       PHE 121   3.994   1.117   3.752
  887   2HB   PHE 121          2HB       PHE 121   4.649  -0.211   2.799
  888    HD1  PHE 121           HD1      PHE 121   2.959   1.043   0.272
  889    HD2  PHE 121           HD2      PHE 121   6.032   2.413   2.942
  890    HE1  PHE 121           HE1      PHE 121   3.724   2.663  -1.442
  891    HE2  PHE 121           HE2      PHE 121   6.760   4.064   1.244
  892    HZ   PHE 121           HZ       PHE 121   5.609   4.176  -0.943
  893    H    VAL 122           H        VAL 122   2.312  -2.371   2.513
  894    HA   VAL 122           HA       VAL 122   1.193  -2.339   5.267
  895    HB   VAL 122           HB       VAL 122   0.541  -3.825   2.785
  896   1HG1  VAL 122          2HG1      VAL 122   0.974  -5.263   5.360
  897   2HG1  VAL 122          1HG1      VAL 122  -0.495  -5.637   4.465
  898   3HG1  VAL 122          3HG1      VAL 122   1.079  -5.853   3.707
  899   1HG2  VAL 122          3HG2      VAL 122  -0.742  -2.141   4.453
  900   2HG2  VAL 122          2HG2      VAL 122  -1.580  -3.314   3.437
  901   3HG2  VAL 122          1HG2      VAL 122  -1.258  -3.685   5.131
  902    H    LYS 123           H        LYS 123   2.615  -3.001   6.752
  903    HA   LYS 123           HA       LYS 123   4.993  -4.604   5.977
  904   1HB   LYS 123          1HB       LYS 123   4.817  -2.533   7.685
  905   2HB   LYS 123          2HB       LYS 123   4.440  -3.842   8.807
  906   1HG   LYS 123          1HG       LYS 123   6.846  -3.440   8.844
  907   2HG   LYS 123          2HG       LYS 123   6.527  -5.016   8.120
  908   1HD   LYS 123          1HD       LYS 123   7.340  -4.382   6.109
  909   2HD   LYS 123          2HD       LYS 123   6.526  -2.828   6.182
  910   1HE   LYS 123          1HE       LYS 123   8.946  -2.479   6.166
  911   2HE   LYS 123          2HE       LYS 123   8.284  -1.990   7.724
  912   1HZ   LYS 123          2HZ       LYS 123   8.940  -4.744   7.763
  913   2HZ   LYS 123          1HZ       LYS 123  10.286  -3.838   7.262
  914   3HZ   LYS 123          3HZ       LYS 123   9.535  -3.490   8.741
  915    H    ARG 124           H        ARG 124   4.588  -6.817   5.881
  916    HA   ARG 124           HA       ARG 124   2.419  -8.017   7.348
  917   1HB   ARG 124          1HB       ARG 124   3.667  -8.963   5.268
  918   2HB   ARG 124          2HB       ARG 124   4.847  -9.570   6.427
  919   1HG   ARG 124          1HG       ARG 124   3.503 -11.333   6.798
  920   2HG   ARG 124          2HG       ARG 124   2.308 -10.228   7.480
  921   1HD   ARG 124          1HD       ARG 124   2.573 -10.915   4.537
  922   2HD   ARG 124          2HD       ARG 124   1.352 -11.569   5.628
  923    HE   ARG 124           HE       ARG 124   0.547  -9.178   5.891
  924   1HH1  ARG 124          2HH1      ARG 124   2.557  -7.607   4.534
  925   2HH1  ARG 124          1HH1      ARG 124   1.967  -7.470   2.913
  926   1HH2  ARG 124          1HH2      ARG 124  -0.296 -10.074   3.235
  927   2HH2  ARG 124          2HH2      ARG 124   0.352  -8.867   2.177
  928    H    VAL 125           H        VAL 125   2.310  -8.282   9.473
  929    HA   VAL 125           HA       VAL 125   4.781  -8.253  11.091
  930    HB   VAL 125           HB       VAL 125   2.254  -8.643  12.556
  931   1HG1  VAL 125          2HG1      VAL 125   4.686  -6.912  12.589
  932   2HG1  VAL 125          1HG1      VAL 125   3.253  -6.333  13.438
  933   3HG1  VAL 125          3HG1      VAL 125   3.977  -7.878  13.884
  934   1HG2  VAL 125          2HG2      VAL 125   2.535  -6.383  10.587
  935   2HG2  VAL 125          1HG2      VAL 125   1.104  -7.324  11.002
  936   3HG2  VAL 125          3HG2      VAL 125   1.716  -6.112  12.124
  937    H2   HC4  69           H2       HC4  69  -7.019  -4.591   3.082
  938    H3   HC4  69           H3       HC4  69  -7.826  -7.354   2.076
  939    H2'  HC4  69           H2'      HC4  69  -6.078  -8.411   0.739
  940    H3'  HC4  69           H3'      HC4  69  -3.834  -8.418  -0.320
  941    H5'  HC4  69           H5'      HC4  69  -3.084  -4.457   1.203
  942    H6'  HC4  69           H6'      HC4  69  -5.344  -4.452   2.256
   
  No H/Q in entry =         942