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                                                                                                                         .
  125  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  7196.7   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   83 66.4   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                              .
    4  3.2   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                              .
    1  0.8   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                              .
   14 11.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    7  5.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   52 41.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.4   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  1  0  0  2  0  0  1  0  0  0  1  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  1  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  .
  1  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   M              0   0  114      0, 0.0     7,-0.1     0, 0.0   122,-0.1   0.000 360.0 360.0 360.0 175.5    7.7   18.5   12.6                           
    2    2   E        -     0   0  113      3,-0.2     4,-0.1   120,-0.1   119,-0.1   0.603 360.0-123.7-100.1 -15.6   10.9   20.5   12.4                           
    3    3   G  S    S+     0   0   50      2,-0.5     3,-0.1   117,-0.1   118,-0.1   0.832  75.4 132.9  64.2  42.7   11.0   19.9    8.7                           
    4    4   K  S    S-     0   0  111      1,-0.3   116,-2.5   116,-0.3     2,-0.2   0.120  92.5 -96.7 -86.7  -1.0   14.4   18.3    8.7                           
    5    5   T  S    S-     0   0   62    114,-0.3     2,-1.2     2,-0.1    -2,-0.5  -0.697  70.4  -5.7 154.8-127.7   11.7   16.7    6.8                           
    6    6   V  S    S+     0   0   32     -2,-0.2     2,-0.2    -3,-0.1    36,-0.1  -0.584  96.1  91.9 -99.4 102.1    8.9   14.2    6.4                           
    7    7   I    >>  +     0   0   22     -2,-1.2     3,-3.2    35,-0.2     4,-0.9  -0.728  68.4   0.9 179.2-167.0    9.5   12.4    9.6                           
    8    8   L  H 3> S+     0   0    1      1,-0.4     4,-2.9     2,-0.2   115,-0.2   0.400 123.6  34.4 -62.4 -42.8    9.2   11.6   13.2                           
    9    9   S  H 3> S+     0   0    4    113,-0.8     4,-2.3     2,-0.2    -1,-0.4   0.890 121.2  49.6 -61.7 -45.6    6.5   14.2   14.3                           
   10   10   V  H <> S+     0   0   14     -3,-3.2     4,-2.8    -5,-0.3     5,-0.2   0.930 113.1  47.2 -65.0 -38.4    4.8   14.0   11.1                           
   11   11   L  H  X S+     0   0   23     -4,-0.9     4,-3.2     2,-0.2     5,-0.3   0.906 113.0  48.4 -60.2 -44.9    4.7   10.2   11.2                           
   12   12   I  H  X S+     0   0   13     -4,-2.9     4,-3.4     1,-0.2     5,-0.2   0.945 115.4  44.5 -64.6 -44.4    3.5   10.1   14.8                           
   13   13   M  H  X S+     0   0   70     -4,-2.3     4,-3.2     2,-0.2     5,-0.3   0.924 116.5  43.0 -65.9 -47.8    0.8   12.6   14.0                           
   14   14   S  H  X S+     0   0   17     -4,-2.8     4,-3.5    -5,-0.2     5,-0.3   0.931 118.6  47.0 -66.1 -42.9   -0.4   11.1   10.8                           
   15   15   L  H  X S+     0   0   59     -4,-3.2     4,-2.1    -5,-0.2    -2,-0.2   0.956 118.0  41.3 -63.8 -47.8   -0.2    7.5   12.3                           
   16   16   V  H  X S+     0   0   39     -4,-3.4     4,-2.5    -5,-0.3    -1,-0.2   0.885 119.4  42.2 -67.7 -41.4   -1.9    8.5   15.4                           
   17   17   M  H  X S+     0   0  113     -4,-3.2     4,-3.2     2,-0.3    -1,-0.2   0.901 112.8  53.1 -69.0 -42.0   -4.6   10.8   13.8                           
   18   18   S  H  X S+     0   0   14     -4,-3.5     4,-1.9    -5,-0.3    -1,-0.2   0.939 114.6  46.1 -61.1 -39.5   -5.2    8.3   11.0                           
   19   19   Y  H  < S+     0   0   59     -4,-2.1    -2,-0.3    -5,-0.3    -1,-0.2   0.816 112.1  45.4 -64.5 -40.9   -5.6    5.8   14.0                           
   20   20   N  H  < S+     0   0  123     -4,-2.5    -1,-0.2     1,-0.2    -2,-0.2   0.924 111.9  58.3 -63.9 -42.0   -8.0    8.0   16.1                           
   21   21   Q  H  < S-     0   0  148     -4,-3.2     2,-0.3    -5,-0.2    -2,-0.2   0.862 133.0 -53.7 -59.9 -44.4   -9.8    8.7   12.9                           
   22   22   V     <  -     0   0   80     -4,-1.9     2,-0.5    -5,-0.2    -1,-0.1  -0.864  65.6 -84.6-157.6-179.9  -10.5    5.1   12.2                           
   23   23   E        -     0   0   72     -2,-0.3     2,-0.3    37,-0.2    -4,-0.1  -0.976  41.4-171.9 -95.9 125.4   -8.3    2.2   12.0                           
   24   24   A        -     0   0   25     -2,-0.5     2,-0.4     2,-0.1    34,-0.1  -0.659  18.6-157.8 -62.4 140.7   -6.7    1.6    8.7                           
   25   25   T  E     +A   59   0A  12     34,-1.1    34,-2.6    -2,-0.3     2,-0.6  -0.930  24.9 173.6 -97.5  99.7   -4.8   -1.5    8.1                           
   26   26   T  E     +A   58   0A  13     -2,-0.4     2,-0.3    32,-0.3    32,-0.2  -0.970  13.1 173.3 -84.2 119.1   -3.0    0.2    5.4                           
   27   27   C  E     -A   57   0A   5     30,-2.3    30,-2.0    -2,-0.6    -2,-0.1  -1.000  16.8-154.9-145.7 146.2   -0.6   -2.6    4.8                           
   28   28   C        -     0   0    0     -2,-0.3     2,-3.2    28,-0.2     6,-0.5  -0.910  19.6-126.9-148.8 103.5    1.9   -2.8    2.0                           
   29   29   P  S    S+     0   0   67      0, 0.0     2,-0.2     0, 0.0    27,-0.1  -0.078  87.7  26.8 -86.0  53.5    3.6   -5.6    0.3                           
   30   30   S  S  > S-     0   0   40     -2,-3.2     4,-3.4    38,-0.1     5,-0.2  -0.600  70.9-126.1-161.2 164.0    7.2   -4.8    0.6                           
   31   31   I  H  > S+     0   0   65      2,-0.2     4,-3.3     1,-0.2     5,-0.2   0.897 114.0  54.2 -62.8 -42.7    9.1   -2.8    3.1                           
   32   32   V  H  > S+     0   0  103      1,-0.2     4,-1.9     2,-0.2    -1,-0.2   0.944 113.9  41.2 -63.9 -44.4   10.6   -0.7    0.3                           
   33   33   A  H  > S+     0   0   15      2,-0.2     4,-2.7     1,-0.2    -2,-0.2   0.924 114.6  50.9 -63.8 -40.0    7.1    0.1   -1.0                           
   34   34   R  H  X S+     0   0   37     -4,-3.4     4,-2.7    -6,-0.5    -2,-0.2   0.897 108.0  54.1 -63.6 -36.0    5.7    0.6    2.5                           
   35   35   S  H  X S+     0   0   46     -4,-3.3     4,-2.4     1,-0.2    -1,-0.2   0.904 110.7  46.0 -62.4 -41.7    8.6    3.0    3.3                           
   36   36   N  H  X S+     0   0   76     -4,-1.9     4,-3.9    -5,-0.2    -1,-0.2   0.920 109.8  52.1 -62.1 -44.0    7.6    5.0    0.3                           
   37   37   F  H  X S+     0   0    0     -4,-2.7     4,-2.9     1,-0.2    -2,-0.2   0.888 110.8  50.0 -67.7 -33.6    3.9    4.8    1.3                           
   38   38   N  H  X S+     0   0   46     -4,-2.7     4,-2.2     2,-0.2    -1,-0.2   0.957 113.7  46.5 -58.9 -47.9    5.1    6.3    4.9                           
   39   39   V  H  < S+     0   0   64     -4,-2.4    -2,-0.2     1,-0.2    -1,-0.2   0.915 113.4  47.6 -62.8 -43.9    7.0    9.0    3.0                           
   40   40   C  H  <>S+     0   0   28     -4,-3.9     5,-0.9     1,-0.2    -1,-0.2   0.906 110.7  50.9 -63.6 -40.7    4.1    9.7    0.8                           
   41   41   R  H >X5S+     0   0   19     -4,-2.9     3,-1.7     1,-0.2     4,-0.9   0.927 100.9  65.1 -64.4 -39.7    1.6    9.8    3.8                           
   42   42   L  T 3<5S+     0   0   13     -4,-2.2    -1,-0.2     1,-0.3    -2,-0.2   0.758  89.5  65.0 -50.2 -34.1    3.9   12.3    5.6                           
   43   43   P  T 345S-     0   0   82      0, 0.0    -1,-0.3     0, 0.0    -2,-0.1   0.525 128.1 -97.4 -60.7  -1.7    3.4   15.0    2.9                           
   44   44   G  T <45S+     0   0   71     -3,-1.7     2,-0.6     1,-0.3    -2,-0.2   0.704  76.7 157.9  62.7  45.0   -0.1   15.1    4.0                           
   45   45   T     << -     0   0   40     -5,-0.9    -1,-0.3    -4,-0.9     5,-0.1  -0.877  47.3-107.8 -98.1 133.8   -0.7   12.8    1.1                           
   46   46   A    >>  -     0   0   53     -2,-0.6     4,-2.0     1,-0.1     3,-0.8  -0.204  23.1-114.3 -63.6 142.8   -4.0   10.8    1.7                           
   47   47   E  H 3> S+     0   0   38      1,-0.3     4,-2.9     2,-0.2     5,-0.2   0.794 113.6  54.0 -51.3 -45.2   -3.7    7.2    2.5                           
   48   48   P  H 3> S+     0   0   78      0, 0.0     4,-2.6     0, 0.0    -1,-0.3   0.907 109.5  49.5 -61.1 -38.9   -5.4    6.0   -0.7                           
   49   49   I  H <> S+     0   0  103     -3,-0.8     4,-2.2     2,-0.2    -2,-0.2   0.932 113.8  45.0 -62.8 -44.9   -3.0    7.9   -2.8                           
   50   50   C  H  X S+     0   0    0     -4,-2.0     4,-2.6     2,-0.2    -1,-0.2   0.860 112.6  51.5 -65.9 -36.1   -0.1    6.6   -1.0                           
   51   51   A  H  X>S+     0   0    8     -4,-2.9     4,-2.7     2,-0.2     5,-2.4   0.886 107.8  51.6 -62.2 -42.6   -1.5    3.1   -1.1                           
   52   52   T  H  <5S+     0   0  119     -4,-2.6    -2,-0.2    -5,-0.2    -1,-0.2   0.914 111.4  48.5 -62.5 -42.0   -2.0    3.3   -4.7                           
   53   53   D  H  <5S+     0   0  103     -4,-2.2    -2,-0.2    -5,-0.2    -1,-0.2   0.929 120.0  37.3 -61.1 -45.9    1.6    4.4   -5.1                           
   54   54   T  H  <5S-     0   0   17     -4,-2.6    -2,-0.2    -5,-0.1    -1,-0.2   0.880 107.2-110.0 -64.0 -45.8    2.9    1.6   -2.8                           
   55   55   G  T  <5 +     0   0   36     -4,-2.7     2,-0.2     1,-0.2    -3,-0.2   0.647  67.0 155.3  84.2  53.5    0.8   -1.3   -3.6                           
   56   56   C      < -     0   0   21     -5,-2.4     2,-0.4   -28,-0.2   -28,-0.2  -0.589  33.3-146.5 -90.1 161.9   -0.8   -1.0   -0.1                           
   57   57   I  E     -A   27   0A  48    -30,-2.0   -30,-2.3    -2,-0.2     2,-0.6  -0.990   4.0-147.9-127.2 144.8   -4.3   -2.3    0.7                           
   58   58   I  E     +A   26   0A  72     -2,-0.4   -32,-0.3   -32,-0.2   -34,-0.0  -0.942  22.2 172.3-110.2 122.7   -6.5   -0.5    3.2                           
   59   59   I  E     -A   25   0A  49    -34,-2.6   -34,-1.1    -2,-0.6    -2,-0.1  -0.997  34.5-136.5-126.5 123.6   -8.8   -2.9    5.1                           
   60   60   P  S    S+     0   0  103      0, 0.0   -37,-0.2     0, 0.0    -1,-0.1   0.747  76.9 104.1 -54.2 -26.0  -10.9   -1.5    8.0                           
   61   61   G  S    S-     0   0   32      1,-0.1    -2,-0.2   -36,-0.1     0, 0.0  -0.273  81.6-123.2 -55.0 141.8   -9.9   -4.6   10.0                           
   62   62   A  S    S+     0   0   67    -37,-0.0     2,-0.3     2,-0.0    -1,-0.1   0.570  90.3  48.8 -63.5 -19.4   -7.3   -4.2   12.7                           
   63   63   T        -     0   0  111    -38,-0.1   -38,-0.1   -36,-0.0    -2,-0.1  -0.864  68.0-147.2-116.7 164.9   -5.0   -6.9   11.2                           
   64   64   C        -     0   0   35     -2,-0.3     2,-0.2   -38,-0.1   -38,-0.0  -0.964  24.5-112.3-120.6 140.3   -3.6   -7.6    7.8                           
   65   65   P    >   -     0   0   62      0, 0.0     3,-2.3     0, 0.0   -38,-0.0  -0.578  34.4-106.8 -79.8 147.4   -2.7  -11.0    6.3                           
   66   66   G  T 3  S+     0   0   76      1,-0.3    -2,-0.0    -2,-0.2     0, 0.0   0.576 117.6  60.0 -58.7 -24.3    0.9  -11.9    5.6                           
   67   67   D  T 3  S+     0   0  144      1,-0.1    -1,-0.3     3,-0.0    -3,-0.0   0.893 118.7  25.5 -63.2 -47.9    0.4  -11.5    1.9                           
   68   68   Y  S <  S+     0   0  108     -3,-2.3     2,-0.2   -40,-0.1    -2,-0.2   0.824 109.1  77.8 -75.8 -42.5   -0.7   -7.8    2.2                           
   69   69   P        +     0   0   22      0, 0.0   -42,-0.1     0, 0.0   -13,-0.0  -0.552  42.6 169.1 -78.5 137.0    1.0   -6.7    5.4                           
   70   70   N        +     0   0   42     -2,-0.2     2,-2.1   -40,-0.1   -36,-0.1  -0.162  30.2 132.2-133.1  40.8    4.6   -6.1    5.1                           
   71   71   D        +     0   0   40    -37,-0.0     2,-0.5   -42,-0.0    13,-0.1  -0.541  35.7 135.8 -85.1  70.8    5.0   -4.5    8.5                           
   72   72   V        -     0   0   74     -2,-2.1   -41,-0.1     1,-0.1     3,-0.1  -0.977  43.2-159.3-137.8 111.7    7.8   -6.6    9.1                           
   73   73   L        +     0   0    6     -2,-0.5     2,-3.2     4,-0.2    -1,-0.1   0.813  16.8 177.9 -70.5 -36.6   10.9   -5.3   10.5                           
   74   74   K    >   +     0   0  191      1,-0.1     3,-0.5     2,-0.0    -1,-0.2   0.044  65.3 105.7  49.6 -35.9   13.9   -7.4    9.9                           
   75   75   N  T 3  S-     0   0   27     -2,-3.2    -1,-0.1     1,-0.3     2,-0.1   0.802 113.4 -42.6 -41.8 -77.3   15.2   -4.5   11.8                           
   76   76   S  T >   -     0   0   65      1,-0.0     3,-5.1     0, 0.0    -1,-0.3  -0.521  69.5-137.7-133.7 109.1   15.7   -6.3   14.9                           
   77   77   G  T <> S+     0   0   43     -3,-0.5     4,-2.1     1,-0.4     5,-0.4   0.511 101.6  46.2 -53.2 -29.4   12.7   -8.1   14.9                           
   78   78   N  H 3> S+     0   0  142      3,-0.2     4,-2.3     2,-0.2    -1,-0.4   0.953 113.3  54.2 -60.0 -44.4   12.0   -7.6   18.5                           
   79   79   A  H <> S+     0   0   45     -3,-5.1     4,-1.5     1,-0.2    -2,-0.2   0.965 117.2  29.3 -64.9 -49.9   12.8   -3.9   18.1                           
   80   80   V  H  > S+     0   0    2     -4,-0.2     4,-1.9     2,-0.2    -1,-0.2   0.799 119.0  55.9 -80.1 -22.9   10.5   -2.9   15.3                           
   81   81   N  H  X S+     0   0   52     -4,-2.1     4,-3.4    -5,-0.3     5,-0.3   0.936 105.5  52.7 -69.7 -38.7    7.8   -5.5   16.1                           
   82   82   E  H  X S+     0   0  100     -4,-2.3     4,-2.3    -5,-0.4    -2,-0.2   0.943 110.5  46.6 -58.5 -46.4    7.5   -4.2   19.5                           
   83   83   Y  H  X S+     0   0   32     -4,-1.5     4,-2.1    -5,-0.3    -1,-0.2   0.884 116.2  44.8 -69.9 -34.2    7.0   -0.7   18.3                           
   84   84   C  H  X S+     0   0   10     -4,-1.9     4,-3.4     2,-0.2    -1,-0.2   0.875 109.5  54.5 -64.7 -40.1    4.4   -1.8   15.7                           
   85   85   K  H  X S+     0   0  141     -4,-3.4     4,-3.5     2,-0.2    -2,-0.2   0.879 111.0  48.3 -64.0 -38.1    2.6   -4.0   18.1                           
   86   86   L  H  < S+     0   0   30     -4,-2.3    -2,-0.2    -5,-0.3    -1,-0.2   0.939 111.4  47.6 -62.1 -44.4    2.4   -0.9   20.3                           
   87   87   G  H  < S+     0   0   19     -4,-2.1     3,-0.3     1,-0.2    -2,-0.2   0.884 126.6  30.6 -62.4 -42.2    1.2    1.2   17.4                           
   88   88   C  H  < S+     0   0   76     -4,-3.4    -2,-0.2     1,-0.2     3,-0.2   0.680 119.8  46.1 -97.4 -15.5   -1.4   -1.6   16.6                           
   89   89   A  S  < S+     0   0   46     -4,-3.5     2,-0.2    -5,-0.2    -1,-0.2   0.301  84.6 154.1 -88.2  14.8   -2.2   -3.2   19.8                           
   90   90   S        +     0   0   18     -3,-0.3     2,-4.2     1,-0.2     4,-0.3   0.251  41.2  86.1 -70.7 -15.0   -2.4    0.4   20.7                           
   91   91   S        +     0   0  105     -2,-0.2    -1,-0.2    -3,-0.2     2,-0.1  -0.356  68.7 132.4 -78.6  64.8   -4.8    0.2   23.6                           
   92   92   Q  S    S-     0   0   75     -2,-4.2    -6,-0.0    -6,-0.2     6,-0.0   0.103  91.4 -68.2 -81.3-162.7   -1.8   -0.5   25.5                           
   93   93   N  S    S+     0   0  149     -2,-0.1     5,-0.1     5,-0.1    -2,-0.1   0.573 103.3 131.0 -62.1 -16.4   -1.2    1.3   28.6                           
   94   94   S        +     0   0   28     -4,-0.3     2,-0.3     4,-0.1    -2,-0.1  -0.185  27.7 159.4 -53.3 129.2   -0.9    4.1   26.1                           
   95   95   D  S >> S-     0   0   67     -4,-0.1     3,-1.7    -2,-0.0     4,-1.4  -0.681  75.7 -70.0-125.0 176.9   -2.5    7.5   26.3                           
   96   96   A  H 3> S+     0   0   79      1,-0.3     4,-1.5    -2,-0.3     5,-0.1   0.696 133.5  60.4 -61.8 -24.4   -0.7    9.9   24.2                           
   97   97   R  H 3> S+     0   0  168      1,-0.2     4,-1.6     2,-0.2    -1,-0.3   0.887 105.2  45.5 -62.6 -44.3    2.4   10.0   26.4                           
   98   98   I  H <> S+     0   0   80     -3,-1.7     4,-1.9     2,-0.2    -1,-0.2   0.755 109.1  58.9 -78.6 -22.3    3.3    6.3   26.2                           
   99   99   V  H  X S+     0   0   24     -4,-1.4     4,-2.3     2,-0.2    -1,-0.2   0.892  99.4  55.1 -61.3 -37.0    2.7    6.8   22.4                           
  100  100   N  H  X S+     0   0   86     -4,-1.5     4,-1.9     2,-0.2    -2,-0.2   0.903 108.0  50.0 -55.1 -44.4    5.5    9.5   22.6                           
  101  101   G  H  X S+     0   0   36     -4,-1.6     4,-1.8     2,-0.2    -2,-0.2   0.889 108.9  48.8 -61.2 -38.6    7.4    6.4   24.1                           
  102  102   A  H  X S+     0   0   13     -4,-1.9     4,-3.5     2,-0.2    -2,-0.2   0.818 106.3  60.4 -59.3 -37.5    6.2    4.3   20.9                           
  103  103   V  H  X S+     0   0    9     -4,-2.3     4,-3.3     2,-0.2    -2,-0.2   0.955 107.3  44.3 -53.0 -51.8    7.6    7.5   19.0                           
  104  104   R  H  X S+     0   0  127     -4,-1.9     4,-1.5     2,-0.3    -2,-0.2   0.856 117.4  41.7 -67.3 -41.8   10.9    6.8   20.4                           
  105  105   Q  H  X S+     0   0   66     -4,-1.8     4,-0.6     2,-0.2    -1,-0.3   0.835 115.3  54.3 -66.8 -36.2   10.8    3.1   19.8                           
  106  106   C  H  X S+     0   0    4     -4,-3.5     4,-3.6     2,-0.2     3,-0.3   0.937 109.6  47.6 -63.8 -46.7    9.2    3.9   16.4                           
  107  107   T  H  X S+     0   0    2     -4,-3.3     4,-7.3     2,-0.3     5,-0.3   0.823 113.5  45.0 -67.1 -34.7   12.2    6.2   15.6                           
  108  108   N  H  < S+     0   0   46     -4,-1.5    -1,-0.3     2,-0.3    -2,-0.2   0.381 113.0  51.1 -94.3  -2.0   14.7    3.7   16.6                           
  109  109   A  H  X S+     0   0    1     -4,-0.6     4,-1.3    -3,-0.3    -2,-0.3   0.728 120.5  37.5 -71.0 -44.2   12.8    1.4   14.8                           
  110  110   C  H  X S+     0   0   21     -4,-3.6     4,-3.6     2,-0.3     3,-0.3   0.938 116.7  45.8 -77.9 -42.4   13.0    4.0   12.0                           
  111  111   S  H  <>S+     0   0   30     -4,-7.3     5,-0.7     1,-0.2    -3,-0.2   0.921 117.4  50.5 -63.2 -32.2   16.5    5.2   12.4                           
  112  112   H  H  45S+     0   0  121     -5,-0.3    -2,-0.3     1,-0.2    -1,-0.2   0.630 113.1  42.7 -80.9 -12.5   17.3    1.6   12.7                           
  113  113   L  H  <5S+     0   0   76     -4,-1.3    -2,-0.2    -3,-0.3    -1,-0.2   0.846 119.5  58.4 -66.0 -44.9   15.4    0.8    9.6                           
  114  114   C  T  <5S-     0   0   54     -4,-3.6     2,-0.9     2,-0.1     3,-0.1  -0.158  80.5-125.2 -81.6 161.3   16.9    3.9    8.0                           
  115  115   T  T   5S-     0   0  130      1,-0.1     2,-0.5    -2,-0.0    -3,-0.1  -0.844  74.8 -85.5 -93.7  90.0   20.2    5.4    7.2                           
  116  116   N  S