DSSP OUTPUT


==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1                          ==== DATE=2019-06-21      .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                              .
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COMPND                                                                                                                         .
SOURCE                                                                                                                         .
AUTHOR                                                                                                                         .
  128  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  8000.1   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   77 60.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J)  , SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS IN     PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES                              .
   11  8.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    4  3.1   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   61 47.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    1  0.8   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES                              .
  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30     *** HISTOGRAMS OF ***           .
  0  0  0  0  0  0  0  0  0  0  0  1  1  1  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0    RESIDUES PER ALPHA HELIX         .
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    PARALLEL BRIDGES PER LADDER      .
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    ANTIPARALLEL BRIDGES PER LADDER  .
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    LADDERS PER SHEET                .
  #  RESIDUE AA STRUCTURE BP1 BP2  ACC     N-H-->O    O-->H-N    N-H-->O    O-->H-N    TCO  KAPPA ALPHA  PHI   PSI    X-CA   Y-CA   Z-CA            CHAIN AUTHCHAIN
    1    1   Q              0   0  202      0, 0.0     3,-0.3     0, 0.0     4,-0.2   0.000 360.0 360.0 360.0 173.6   13.3   11.9   -4.9                           
    2    2   Y    >   +     0   0  243      1,-0.2     3,-0.6     2,-0.1     0, 0.0   0.842 360.0  63.7 -62.8 -40.1   16.6   11.1   -6.7                           
    3    3   S  T 3  S+     0   0   77      1,-0.2    -1,-0.2     3,-0.0     0, 0.0   0.629  77.7  86.7 -58.4 -34.2   17.5   14.7   -6.4                           
    4    4   V  T 3   +     0   0   92     -3,-0.3    -1,-0.2     2,-0.1     2,-0.2   0.665  57.3  91.7 -61.2 -42.2   17.6   15.1   -2.7                           
    5    5   G    <   -     0   0   61     -3,-0.6     0, 0.0    -4,-0.2     0, 0.0  -0.510  58.6-158.7 -60.2 127.3   21.2   14.1   -1.6                           
    6    6   G        -     0   0   71     -2,-0.2    -1,-0.2     2,-0.2     3,-0.1   0.334  32.7-128.2 -82.7  -7.8   23.0   17.3   -1.7                           
    7    7   G        +     0   0   80      1,-0.2     2,-0.3     0, 0.0    -2,-0.1   0.523  63.5 103.6  74.1  13.3   26.1   15.2   -1.9                           
    8    8   Y        -     0   0  155      3,-0.0     2,-0.3     0, 0.0    -1,-0.2  -0.876  43.0-174.2-131.4 155.5   28.1   16.6    0.8                           
    9    9   N        -     0   0  160     -2,-0.3     0, 0.0    -3,-0.1     0, 0.0  -0.952  66.1  -5.6-129.2 154.8   29.6   16.7    4.3                           
   10   10   D     >  +     0   0   94     -2,-0.3     4,-0.6     1,-0.1    -1,-0.0   0.779  51.2 149.2  55.6  61.2   31.5   19.3    6.3                           
   11   11   V  H  > S+     0   0  110      2,-0.1     4,-2.4     1,-0.1     5,-0.2   0.731  71.7  69.4 -78.0 -25.7   32.4   22.3    4.4                           
   12   12   G  H  > S+     0   0   61      1,-0.2     4,-1.8     2,-0.2     5,-0.1   0.864  96.7  45.1 -63.8 -44.0   32.1   24.2    7.6                           
   13   13   G  H  > S+     0   0   51      1,-0.2     4,-2.0     2,-0.2    -1,-0.2   0.903 114.3  52.1 -61.4 -39.2   35.2   22.9    9.4                           
   14   14   G  H  X S+     0   0   32     -4,-0.6     4,-2.6     1,-0.2    -2,-0.2   0.870 107.0  52.4 -63.5 -38.7   37.2   23.3    6.2                           
   15   15   G  H  X S+     0   0   23     -4,-2.4     4,-2.2     2,-0.2    -1,-0.2   0.872 106.7  53.4 -60.5 -40.4   36.0   27.0    5.9                           
   16   16   G  H  X S+     0   0   35     -4,-1.8     4,-2.2     1,-0.2    -2,-0.2   0.939 112.5  46.3 -61.9 -44.5   37.2   27.7    9.5                           
   17   17   S  H  < S+     0   0    5     -4,-2.0    -2,-0.2     1,-0.2    -1,-0.2   0.914 109.8  49.7 -64.6 -43.8   40.5   26.4    8.5                           
   18   18   Q  H  X S+     0   0   90     -4,-2.6     4,-1.8     1,-0.2    -1,-0.2   0.874 111.0  50.9 -63.5 -36.3   40.9   28.2    5.3                           
   19   19   Q  H  X S+     0   0  134     -4,-2.2     4,-2.6     2,-0.2    -1,-0.2   0.844 101.7  58.7 -66.0 -40.8   40.1   31.4    6.9                           
   20   20   C  H  X S+     0   0   27     -4,-2.2     4,-1.7     1,-0.2    -1,-0.2   0.933 112.5  44.3 -52.1 -44.8   42.6   31.0    9.8                           
   21   21   P  H  4 S+     0   0   15      0, 0.0     5,-0.3     0, 0.0     6,-0.3   0.850 108.3  52.6 -70.5 -38.9   45.3   30.7    7.0                           
   22   22   Q  H  < S+     0   0  155     -4,-1.8    -2,-0.2     2,-0.2    -3,-0.2   0.891 113.4  50.7 -60.1 -40.6   44.0   33.6    4.8                           
   23   23   E  H  < S+     0   0  125     -4,-2.6    -1,-0.2     1,-0.2    -3,-0.1   0.906 112.8  42.2 -60.5 -45.5   44.2   35.6    8.1                           
   24   24   R  S  < S-     0   0   52     -4,-1.7    -1,-0.2    -5,-0.1    -2,-0.2   0.769  75.4-163.9 -66.7 -39.9   47.8   34.6    9.0                           
   25   25   P     >  +     0   0   69      0, 0.0     4,-0.5     0, 0.0    -3,-0.1   0.918  35.0 149.2  31.0  55.3   49.6   34.9    5.5                           
   26   26   N  H  >  +     0   0    1     -5,-0.3     4,-2.0     2,-0.2    43,-0.1   0.541  63.3  72.0 -66.8 -20.0   52.3   32.8    7.2                           
   27   27   L  H  > S+     0   0   41     -6,-0.3     4,-2.5     2,-0.2     5,-0.2   0.839  86.8  60.6 -60.7 -41.4   52.7   31.7    3.6                           
   28   28   G  H  > S+     0   0   33      1,-0.2     4,-1.6     2,-0.2    -1,-0.2   0.914 108.9  42.3 -62.0 -42.3   54.2   35.1    2.8                           
   29   29   S  H  X S+     0   0    9     -4,-0.5     4,-2.3     2,-0.2    -1,-0.2   0.892 109.2  56.8 -64.7 -39.8   57.0   34.4    5.3                           
   30   30   C  H  X S+     0   0   16     -4,-2.0     4,-2.0     1,-0.2    -2,-0.2   0.897 107.7  50.5 -60.4 -38.1   57.5   30.8    4.1                           
   31   31   K  H  X S+     0   0   50     -4,-2.5     4,-2.5     2,-0.2    -1,-0.2   0.872 107.7  52.9 -61.1 -41.6   58.0   32.3    0.5                           
   32   32   D  H  X S+     0   0   94     -4,-1.6     4,-3.0     2,-0.2    -1,-0.2   0.896 107.8  51.2 -59.0 -41.6   60.6   34.7    1.8                           
   33   33   Y  H  X S+     0   0   11     -4,-2.3     4,-3.0     1,-0.2    -2,-0.2   0.903 107.8  51.1 -66.8 -38.6   62.4   31.9    3.4                           
   34   34   V  H  X S+     0   0   16     -4,-2.0     4,-2.4     1,-0.2    -1,-0.2   0.921 113.4  47.0 -60.5 -42.7   62.3   30.0    0.1                           
   35   35   M  H  X S+     0   0   53     -4,-2.5     4,-1.9     2,-0.2    -2,-0.2   0.907 110.8  49.4 -63.2 -42.4   63.8   33.1   -1.5                           
   36   36   E  H  X S+     0   0   54     -4,-3.0     4,-1.7     1,-0.2    -2,-0.2   0.911 113.1  50.8 -62.8 -41.9   66.5   33.6    1.3                           
   37   37   R  H  < S+     0   0    4     -4,-3.0    -2,-0.2     1,-0.2    -1,-0.2   0.882 103.6  54.3 -64.8 -40.3   67.4   29.9    0.8                           
   38   38   C  H  < S+     0   0   44     -4,-2.4    -1,-0.2    -5,-0.2    -2,-0.2   0.869 126.9  26.6 -59.3 -40.1   67.7   30.2   -3.0                           
   39   39   F  H  < S+     0   0  152     -4,-1.9     2,-2.4     1,-0.2    -2,-0.2   0.892 110.8  51.8 -86.0 -81.2   70.1   33.0   -2.0                           
   40   40   T     <  +     0   0   83     -4,-1.7     3,-0.3     1,-0.2     4,-0.2  -0.221  64.6 159.0 -78.0  88.1   72.0   33.0    1.2                           
   41   41   M    >   +     0   0  112     -2,-2.4     3,-2.0    -3,-0.2    -1,-0.2   0.845  39.4  90.8 -64.2 -38.6   73.4   29.4    0.9                           
   42   42   K  T 3  S+     0   0  198      1,-0.3    -1,-0.2    -3,-0.2    -2,-0.1   0.610  97.5  14.5 -60.5 -42.8   76.2   29.5    3.2                           
   43   43   D  T >  S+     0   0   54     -3,-0.3     3,-0.7     1,-0.1    -1,-0.3   0.415  90.3 127.4-100.7  11.2   75.3   28.4    6.7                           
   44   44   F  T <   +     0   0   39     -3,-2.0     3,-0.2     1,-0.2    -1,-0.1   0.630  40.9  75.1 -59.0 -37.8   72.0   27.0    5.7                           
   45   45   P  T 3  S-     0   0   70      0, 0.0     2,-0.2     0, 0.0    -1,-0.2   0.793 130.9 -52.3 -59.3 -40.9   71.5   23.3    6.9                           
   46   46   L    <   -     0   0   89     -3,-0.7     6,-0.0     1,-0.0    60,-0.0  -0.667  59.4-128.2-152.0 161.4   71.0   24.8   10.2                           
   47   47   T        -     0   0   40     -2,-0.2    -3,-0.0     1,-0.2    -1,-0.0   0.958  66.6 -40.2 -67.5 -47.7   73.5   27.2   11.6                           
   48   48   W        -     0   0  172      0, 0.0     2,-2.1     0, 0.0     3,-0.3  -0.968  67.4 -81.8-173.6 152.9   74.4   26.0   15.0                           
   49   49   P  S    S+     0   0  111      0, 0.0     3,-0.0     0, 0.0    -3,-0.0  -0.430  80.4 128.9 -80.7  74.9   72.6   24.6   18.1                           
   50   50   T  S    S-     0   0   46     -2,-2.1     2,-0.9     4,-0.1     7,-0.1   0.297  85.1-109.6 -89.7  -0.5   71.6   28.2   19.1                           
   51   51   K        -     0   0  144     -3,-0.3     2,-6.1     1,-0.1     4,-0.2  -0.425  49.2-176.0  71.8 -46.8   68.1   27.2   19.4                           
   52   52   W  S    S+     0   0    5     -2,-0.9     7,-0.4     1,-0.3    11,-0.2   0.141  73.1  74.7  63.1 -46.8   67.7   29.4   16.3                           
   53   53   W  S    S+     0   0  103     -2,-6.1    -1,-0.3     9,-0.1     2,-0.3   0.784 118.6  20.4 -68.3 -19.2   63.9   28.8   16.4                           
   54   54   K  S    S+     0   0   96     -4,-0.0     2,-0.2     2,-0.0    -2,-0.1  -0.826  95.5  89.3-127.6 179.5   64.5   31.3   19.2                           
   55   55   G  S    S-     0   0   42     -2,-0.3    -4,-0.1    -4,-0.2     8,-0.0  -0.626  85.6 -96.4 118.8 169.1   67.5   33.5   19.7                           
   56   56   G  S    S+     0   0   76     -2,-0.2     4,-0.1     2,-0.0    -1,-0.1   0.174 101.8 112.0 -82.6   4.1   68.2   37.0   18.4                           
   57   57   C        -     0   0   45      2,-0.2    -2,-0.1    -3,-0.1    -6,-0.0   0.468  69.3 -27.5-116.9-159.5   69.8   34.8   16.1                           
   58   58   E  S    S+     0   0   91      1,-0.2     2,-0.6     2,-0.1     3,-0.2   0.379 116.5  23.0 -62.8 -39.2   70.2   33.2   12.8                           
   59   59   Q     >  +     0   0   17     -7,-0.4     4,-0.9     1,-0.1    -1,-0.2  -0.884  57.5 165.0-111.9 107.2   66.9   33.0   11.0                           
   60   60   E  H  > S+     0   0  130     -2,-0.6     4,-2.2     2,-0.2    -1,-0.1   0.819  82.5  59.1 -62.6 -39.0   64.8   35.6   12.5                           
   61   61   V  H  > S+     0   0   46      1,-0.3     4,-2.1     2,-0.2     5,-0.2   0.855 101.0  49.5 -61.4 -42.0   62.7   34.9    9.5                           
   62   62   R  H  > S+     0   0    1      1,-0.2     4,-2.4     2,-0.2    -1,-0.3   0.884 109.6  54.7 -62.3 -38.4   62.2   31.4   10.3                           
   63   63   E  H  X S+     0   0   35     -4,-0.9     4,-1.9     1,-0.2    -2,-0.2   0.926 106.7  51.8 -57.2 -45.5   61.2   32.5   13.9                           
   64   64   K  H  X S+     0   0  122     -4,-2.2     4,-2.1     2,-0.2    -1,-0.2   0.881 108.5  47.3 -60.5 -46.1   58.6   34.8   12.4                           
   65   65   C  H  X S+     0   0    2     -4,-2.1     4,-2.4     1,-0.2    -1,-0.2   0.908 110.9  55.4 -61.9 -41.5   56.9   32.2   10.3                           
   66   66   C  H  X S+     0   0   13     -4,-2.4     4,-2.3     2,-0.2    -2,-0.2   0.869 104.4  50.8 -58.2 -42.9   57.0   30.1   13.4                           
   67   67   Q  H  X S+     0   0   87     -4,-1.9     4,-2.4     1,-0.2    -1,-0.2   0.931 112.1  50.9 -60.6 -44.5   55.1   32.7   15.6                           
   68   68   Q  H  X S+     0   0   28     -4,-2.1     4,-1.3     2,-0.2    -2,-0.2   0.910 108.9  48.4 -62.8 -43.4   52.6   32.8   12.7                           
   69   69   L  H  < S+     0   0    3     -4,-2.4     3,-0.3     1,-0.2    -1,-0.2   0.905 113.6  47.9 -60.0 -43.3   52.1   29.0   12.6                           
   70   70   S  H  < S+     0   0   48     -4,-2.3    -1,-0.2     1,-0.2    -2,-0.2   0.847 101.7  64.8 -66.8 -37.9   51.7   28.8   16.3                           
   71   71   Q  H  < S+     0   0  101     -4,-2.4    -1,-0.2    -5,-0.2    -2,-0.2   0.895  84.2  92.5 -51.2 -42.1   49.2   31.7   16.2                           
   72   72   I  S  < S-     0   0    2     -4,-1.3     5,-0.3    -3,-0.3   -52,-0.0  -0.231  91.9-108.7 -59.2 132.7   46.9   29.5   14.2                           
   73   73   A    >   -     0   0   67      1,-0.1     3,-1.7     3,-0.1     2,-0.1  -0.619  48.8-113.7 -82.8 120.7   44.3   27.6   16.2                           
   74   74   P  T 3> S+     0   0   66      0, 0.0     4,-1.5     0, 0.0    43,-0.2   0.082 108.9  55.9 -76.9 -18.7   45.7   24.4   15.7                           
   75   75   Q  H 3> S+     0   0   84      1,-0.2     4,-1.0     2,-0.2    -2,-0.1   0.880 115.8  54.2 -58.2 -30.3   43.6   21.9   13.7                           
   76   76   C  H <> S+     0   0   13     -3,-1.7     4,-2.4     2,-0.2    -1,-0.2   0.637  93.3  65.6 -63.2 -33.1   44.1   25.1   11.4                           
   77   77   R  H  > S+     0   0   54     -5,-0.3     4,-2.4     2,-0.2    -1,-0.2   0.955 105.3  49.6 -49.1 -46.6   48.0   24.9   11.9                           
   78   78   C  H  X S+     0   0    2     -4,-1.5     4,-1.4     1,-0.2    -2,-0.2   0.900 109.5  46.9 -65.9 -46.8   47.5   21.6    9.9                           
   79   79   D  H  X S+     0   0    9     -4,-1.0     4,-2.2     1,-0.2    -1,-0.2   0.895 115.4  46.6 -64.5 -41.8   45.4   23.0    7.2                           
   80   80   A  H  X S+     0   0    1     -4,-2.4     4,-4.3     2,-0.2     5,-0.4   0.894 104.4  56.2 -61.9 -42.7   47.8   25.9    6.6                           
   81   81   I  H  X S+     0   0    5     -4,-2.4     4,-1.9     1,-0.3    -1,-0.2   0.843 112.3  48.0 -61.7 -39.9   51.1   24.0    6.6                           
   82   82   R  H  X S+     0   0   21     -4,-1.4     4,-1.3    -5,-0.2    -1,-0.3   0.883 118.0  39.3 -56.0 -56.9   49.4   22.0    3.7                           
   83   83   G  H  X S+     0   0   30     -4,-2.2     4,-2.8     2,-0.2    -2,-0.2   0.912 115.2  52.5 -65.8 -43.7   48.2   25.1    1.8                           
   84   84   V  H  X S+     0   0   10     -4,-4.3     4,-2.6     1,-0.2     5,-0.2   0.856 105.8  53.5 -68.8 -41.6   51.5   27.2    2.5                           
   85   85   I  H  X S+     0   0    7     -4,-1.9     4,-1.9    -5,-0.4    -1,-0.2   0.956 114.6  41.8 -61.7 -42.9   53.7   24.5    1.3                           
   86   86   Q  H  X S+     0   0  108     -4,-1.3     4,-2.7     2,-0.2    -2,-0.2   0.893 114.5  49.3 -64.0 -42.5   51.8   24.4   -2.0                           
   87   87   G  H  X S+     0   0   22     -4,-2.8     4,-3.8     2,-0.2     5,-0.4   0.896 108.8  53.9 -63.6 -41.5   51.4   28.2   -2.4                           
   88   88   K  H  X S+     0   0    6     -4,-2.6     4,-1.9     1,-0.2    -1,-0.2   0.967 111.9  44.8 -60.4 -47.6   55.0   28.7   -1.8                           
   89   89   L  H  < S+     0   0   45     -4,-1.9    -1,-0.2     1,-0.2    -2,-0.2   0.874 123.3  34.3 -64.5 -39.6   55.8   26.2   -4.5                           
   90   90   G  H  < S+     0   0   59     -4,-2.7    -1,-0.2     1,-0.1     3,-0.2   0.672 113.3  56.8 -96.9 -13.8   53.4   27.6   -7.0                           
   91   91   G  H  < S+     0   0   50     -4,-3.8     2,-0.4     1,-0.3    -2,-0.2   0.823 126.7  18.5 -63.8 -42.2   53.5   31.3   -6.1                           
   92   92   I  S  < S-     0   0   53     -4,-1.9    -1,-0.3    -5,-0.4     3,-0.0  -0.993  78.0-178.0-130.8 117.3   57.1   31.5   -6.6                           
   93   93   F        +     0   0  161     -2,-0.4     2,-0.6    -3,-0.2     3,-0.2  -0.000  40.3 117.4-126.9  35.7   58.2   28.5   -8.7                           
   94   94   G        +     0   0   51      1,-0.2    -1,-0.1     2,-0.0    -4,-0.1  -0.426  32.5 158.9 -87.1  44.7   61.9   28.8   -9.1                           
   95   95   I      > -     0   0   61     -2,-0.6     5,-0.6    -6,-0.1    -1,-0.2   0.732  27.5-158.4 -65.0 -39.9   62.8   25.7   -7.3                           
   96   96   G  T   5 -     0   0   67     -3,-0.2     2,-1.2     3,-0.2     3,-0.3   0.298  30.3-116.0  88.2  -8.0   66.3   24.8   -8.5                           
   97   97   G  T  >5S+     0   0   36      1,-0.2     4,-2.2     2,-0.1     5,-0.1  -0.694 101.4  36.3  84.8-101.7   66.4   21.1   -7.8                           
   98   98   G  H  >5S+     0   0   63     -2,-1.2     4,-1.4     1,-0.2    -1,-0.2   0.881 121.7  43.3 -64.7 -45.5   69.1   20.6   -5.2                           
   99   99   D  H  >5S+     0   0   33     -3,-0.3     4,-2.5     1,-0.2     3,-0.3   0.935 112.8  53.9 -62.6 -39.0   68.5   23.7   -3.2                           
  100  100   V  H  > S+     0   0    5      0, 0.0     4,-3.1     0, 0.0    -1,-0.2   0.843 109.3  54.8 -65.1 -41.8   56.8   22.7   11.9                           
  112  112   S  H  < S+     0   0   72     -4,-1.9    -2,-0.2     1,-0.2    -3,-0.1   0.942 113.6  46.6 -60.1 -42.0   58.6   20.2   13.9                           
  113  113   K  H  < S+     0   0   56     -4,-2.4    -1,-0.2     1,-0.2    -3,-0.2   0.755 116.2  42.3 -73.0 -32.3   60.0   23.3   15.6                           
  114  114   C  H  < S-     0   0   19     -4,-1.7    -1,-0.2    -5,-0.2    -2,-0.2   0.849 113.1-125.3 -68.9 -40.1   56.7   25.1   16.0                           
  115  115   N     <  -     0   0  109     -4,-3.1     2,-0.4    -5,-0.1    -3,-0.2   0.725  33.3-170.7  84.7 116.1   55.0   21.9   17.0                           
  116  116   M        -     0   0   22     -5,-0.1     2,-2.9    -4,-0.1    -1,-0.1  -0.964  43.2-120.4-124.7 144.9   52.1   20.8   15.1                           
  117  117   G        +     0   0   44     -2,-0.4     4,-0.4     1,-0.2   -39,-0.1  -0.646  58.8 154.3 -66.6  70.3   49.6   18.3   15.5                           
  118  118   A        +     0   0   25     -2,-2.9     2,-1.4     2,-0.2    -1,-0.2   0.146  44.3 101.1 -87.4   8.7   51.2   17.5   12.2                           
  119  119   D  S    S-     0   0  140      2,-0.1     2,-0.6    -3,-0.1    -1,-0.1  -0.748  97.6-134.1 -86.8  89.1   50.0   14.1   13.2                           
  120  120   C        -     0   0   15     -2,-1.4     2,-1.5     1,-0.1     6,-0.4  -0.358  32.3-164.1 -95.6  93.0   47.8   15.7   10.7                           
  121  121   K        +     0   0  162     -2,-0.6   -42,-0.1    -4,-0.4   -43,-0.1  -0.622  24.2 155.7 -83.2  96.8   44.1   15.5   11.4                           
  122  122   F  S    S-     0   0    7     -2,-1.5     5,-0.1   -44,-0.1     3,-0.0  -0.546  81.2 -70.5 -85.3 166.4   42.4   16.4    8.3                           
  123  123   P  S    S-     0   0  115      0, 0.0     2,-0.3     0, 0.0    -2,-0.1   0.739 129.3 -10.4 -57.4 -32.3   39.0   14.8    8.4                           
  124  124   S  S    S-     0   0   99     -4,-0.1    -4,-0.0     2,-0.0    -3,-0.0  -0.850 117.8 -68.3-131.9 163.1   41.1   11.8    8.1                           
  125  125   G        +     0   0   76     -2,-0.3     2,-0.2    -4,-0.1    -4,-0.1  -0.153  58.2 146.2 -61.3 129.2   44.8   12.4    7.2                           
  126  126   Y        -     0   0  117     -6,-0.4   -44,-0.1     1,-0.0    -1,-0.1  -0.690  30.2-167.3-124.8 109.0   46.2   13.8    4.2                           
  127  127   Y              0   0   66      1,-0.2   -45,-0.2    -2,-0.2   -46,-0.0   0.842 360.0 360.0 -62.8 -42.9   49.1   15.7    5.8                           
  128  128   W              0   0  118    -46,-0.1    -1,-0.2   -47,-0.1   -46,-0.1  -0.898 360.0 360.0-169.6 360.0   49.9   17.6    2.8