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                                                                                                                         .
  116  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  6552.2   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   77 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                              .
    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                              .
    1  0.9   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                              .
    2  1.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    1  0.9   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   68 58.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    5  4.3   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  1  1  0  0  0  0  0  1  0  1  0  0  1  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   K              0   0  106      0, 0.0    31,-0.2     0, 0.0    32,-0.1   0.000 360.0 360.0 360.0 169.9   74.4   50.3  -18.9                           
    2    2   V        -     0   0  107     27,-0.1     5,-0.1    30,-0.1    24,-0.1   0.349 360.0-113.7 -84.9  11.1   76.0   48.0  -21.6                           
    3    3   G     >  +     0   0    0     22,-0.1     4,-2.1    25,-0.1     3,-0.3   0.856  48.4 173.7  65.9  39.6   79.2   48.4  -19.9                           
    4    4   F  H  > S+     0   0  111      1,-0.2     4,-1.2     2,-0.2    -1,-0.1   0.790  75.2  55.5 -44.0 -40.3   81.1   50.3  -22.5                           
    5    5   P  H  4 S+     0   0   41      0, 0.0     3,-0.2     0, 0.0    -1,-0.2   0.974 112.8  43.4 -60.9 -48.9   84.2   50.9  -20.3                           
    6    6   V  H  4 S+     0   0    3     -3,-0.3    -2,-0.2     1,-0.2     9,-0.1   0.903 109.4  60.1 -59.2 -44.7   84.6   47.2  -19.7                           
    7    7   S  H  <  +     0   0   23     -4,-2.1     5,-0.5    -5,-0.1     8,-0.2   0.833  68.0 123.4 -54.5 -54.0   83.9   46.1  -23.1                           
    8    8   T  S >< S-     0   0   78     -4,-1.2     3,-2.5     3,-0.3     2,-0.5   0.257  72.8 -80.0 -70.8 131.2   86.4   47.6  -25.4                           
    9    9   A  T 3> S+     0   0   68      1,-0.3     4,-1.2     2,-0.2     8,-0.2  -0.316 121.7  25.3  60.3 -95.5   88.7   45.8  -27.7                           
   10   10   T  H 3> S+     0   0   81     -2,-0.5     4,-2.4     2,-0.2    -1,-0.3   0.872 124.3  56.2 -61.3 -40.1   91.6   44.4  -25.9                           
   11   11   N  H <> S+     0   0   34     -3,-2.5     4,-2.0     1,-0.2    -3,-0.3   0.899 110.0  42.3 -62.5 -38.4   89.5   44.4  -22.9                           
   12   12   C  H  4>S+     0   0   10     -5,-0.5     5,-4.1     2,-0.2    -1,-0.2   0.465 110.0  57.0 -95.0  -3.2   86.9   42.3  -24.5                           
   13   13   E  H  <5S+     0   0  133     -4,-1.2    -1,-0.2     3,-0.3    -2,-0.2   0.846 114.9  40.2 -63.4 -42.8   89.4   40.0  -26.1                           
   14   14   T  H  <5S+     0   0   20     -4,-2.4    46,-0.3     1,-0.3    -2,-0.2   0.668 116.0  44.4 -84.5 -24.4   90.6   39.5  -22.6                           
   15   15   I  T  <5S-     0   0    0     -4,-2.0    -1,-0.3    -8,-0.2     6,-0.3  -0.172 123.4-123.0 -91.2  25.5   87.2   39.3  -21.1                           
   16   16   H  T  >5 -     0   0   58     -6,-0.2     4,-0.6    -5,-0.2     3,-0.4   0.703  39.3-100.4  48.9  35.1   87.0   37.2  -24.3                           
   17   17   M  H  > S+     0   0  164      1,-0.2     4,-3.3     2,-0.2    -1,-0.2   0.725 122.1  36.0 -68.9 -44.9   80.6   38.1  -26.0                           
   19   19   N  H  > S+     0   0  144     -3,-0.4     4,-1.7     1,-0.2    -1,-0.2   0.959 128.5  38.9 -66.9 -40.7   79.8   35.2  -23.4                           
   20   20   I  H  X S+     0   0   37     -4,-0.6     4,-2.6    -3,-0.3     5,-0.3   0.875 114.7  53.6 -64.9 -35.5   82.1   36.6  -20.9                           
   21   21   F  H  X>S+     0   0   24     -4,-3.3     4,-3.7    -6,-0.3     5,-0.6   0.879 104.6  58.0 -64.8 -33.0   81.1   40.1  -21.8                           
   22   22   F  H  X5S+     0   0  126     -4,-3.3     4,-1.7    -5,-0.4    -1,-0.2   0.961 108.5  43.1 -58.0 -48.8   77.6   39.0  -21.2                           
   23   23   S  H  X5S+     0   0   40     -4,-1.7     4,-2.2    -5,-0.2    -2,-0.2   0.954 125.0  35.4 -62.1 -44.6   78.5   38.1  -17.7                           
   24   24   V  H  X5S+     0   0    2     -4,-2.6     4,-2.4     2,-0.2     5,-0.2   0.808 113.3  52.5 -88.3 -25.9   80.6   41.3  -17.1                           
   25   25   F  H  X5S+     0   0   48     -4,-3.7     4,-3.9    -5,-0.3     5,-0.2   0.937 115.4  51.3 -73.6 -38.4   78.6   44.0  -19.1                           
   26   26   F  H  XS+     0   0    0     -4,-2.4     4,-8.9     2,-0.2     5,-0.6   0.921 109.1  54.8 -63.0 -40.6   78.7   46.2  -14.7                           
   29   29   S  H  X5S+     0   0   31     -4,-3.9     4,-1.8     2,-0.3    -2,-0.2   0.959 109.0  47.8 -58.1 -46.8   75.2   47.1  -15.8                           
   30   30   F  H  X5S+     0   0  143     -4,-3.0     4,-0.6    -5,-0.2    -1,-0.3   0.960 126.8  30.6 -57.7 -43.6   74.1   46.2  -12.4                           
   31   31   L  H  <5S+     0   0   19     -4,-3.1     4,-0.4     2,-0.2    14,-0.4   0.756 112.0  56.7 -92.1 -23.6   76.9   48.2  -11.2                           
   32   32   L  H  <5S+     0   0    6     -4,-8.9    -3,-0.2    -7,-0.2    -1,-0.2   0.625 107.1  58.3 -79.3 -10.1   77.3   50.9  -13.8                           
   33   33   C  H  <  -     0   0   15      0, 0.0     4,-1.9     0, 0.0   -11,-0.1  -0.342   2.3-154.6 -69.1 147.5   81.9   53.0   -7.2                           
   44   44   C  H  > S+     0   0   30      2,-0.2     4,-3.7     3,-0.2     5,-0.4   0.713 105.2  60.3 -62.0 -39.1   80.9   49.4   -7.5                           
   45   45   S  H  > S+     0   0    1    -14,-0.4     4,-2.7     1,-0.2     5,-0.2   0.982 109.6  36.8 -60.5 -51.9   80.6   50.7  -11.2                           
   46   46   T  H  > S+     0   0   49      1,-0.2     4,-2.2     2,-0.2    -1,-0.2   0.918 121.6  46.5 -75.2 -35.1   84.1   51.7  -11.5                           
   47   47   V  H  X S+     0   0    0     -4,-1.9     4,-2.3     1,-0.2    -1,-0.2   0.925 113.3  47.0 -65.0 -45.7   85.4   48.8   -9.4                           
   48   48   D  H  X S+     0   0    3     -4,-3.7     4,-2.8     1,-0.2    -1,-0.2   0.912 112.4  50.3 -60.9 -45.8   83.3   46.1  -11.1                           
   49   49   M  H  X S+     0   0   16     -4,-2.7     4,-1.9    -5,-0.4    -1,-0.2   0.890 113.0  46.0 -65.3 -37.7   84.2   47.4  -14.6                           
   50   50   K  H  X S+     0   0   60     -4,-2.2     4,-1.8    -5,-0.2    -1,-0.2   0.892 112.4  49.1 -66.9 -39.8   87.9   47.4  -13.8                           
   51   51   A  H  X S+     0   0    3     -4,-2.3     4,-5.9     2,-0.2     5,-0.3   0.889 104.8  62.3 -62.9 -39.1   87.8   43.9  -12.1                           
   52   52   A  H  X S+     0   0    0     -4,-2.8     4,-2.2     2,-0.3    -2,-0.2   0.933 104.0  47.1 -55.3 -47.8   85.9   42.9  -15.3                           
   53   53   A  H  X S+     0   0    9     -4,-1.9     4,-0.8     1,-0.2    -1,-0.3   0.920 117.2  41.9 -61.3 -44.9   89.0   43.8  -17.2                           
   54   54   C  H  X S+     0   0    2     -4,-1.8     4,-1.8     2,-0.2     3,-0.4   0.830 110.2  58.8 -66.0 -36.3   91.1   41.8  -14.5                           
   55   55   V  H  X S+     0   0    3     -4,-5.9     4,-2.8     1,-0.3    -2,-0.2   0.882  94.1  65.0 -65.0 -30.1   88.4   39.0  -14.6                           
   56   56   G  H  X S+     0   0    0     -4,-2.2     4,-1.6    -5,-0.3    -1,-0.3   0.881 105.6  45.4 -52.0 -43.5   89.2   38.7  -18.2                           
   57   57   F  H  < S+     0   0   10     -4,-0.8    -2,-0.2    -3,-0.4    -1,-0.2   0.826 105.4  54.9 -62.2 -41.8   92.5   37.6  -17.0                           
   58   58   A  H  < S+     0   0    6     -4,-1.8    -2,-0.2     1,-0.2    -1,-0.2   0.940 111.1  51.8 -59.3 -40.1   91.3   35.2  -14.3                           
   59   59   T  H  < S+     0   0   68     -4,-2.8    -2,-0.3   -45,-0.2    -1,-0.2   0.839 103.5  63.6 -64.1 -40.2   89.5   33.8  -17.3                           
   60   60   G  S  < S-     0   0    5     -4,-1.6   -46,-0.0   -46,-0.3    -3,-0.0  -0.247 105.6 -97.1 -71.1-178.1   92.6   33.5  -19.4                           
   61   61   K        -     0   0  164     -2,-0.1    -1,-0.1     1,-0.1     0, 0.0   0.768  59.8 -64.0 -90.0-113.4   95.1   31.2  -17.9                           
   62   62   D  S    S+     0   0   77      1,-0.1    -1,-0.1    -3,-0.1    -5,-0.0   0.589 112.7  54.3-105.5   5.2   97.9   32.5  -15.8                           
   63   63   S        +     0   0   81      1,-0.2    -1,-0.1    -6,-0.1    -6,-0.0   0.681  69.8  81.7-112.8 -19.5  100.0   34.6  -18.0                           
   64   64   K        +     0   0   84     -7,-0.2    -1,-0.2   -50,-0.1    -4,-0.1  -0.566  48.2 178.0-126.8  70.9   98.7   37.4  -20.0                           
   65   65   P        -     0   0   77      0, 0.0     2,-0.3     0, 0.0     3,-0.1  -0.085  20.0-136.3 -73.9 160.2   98.4   40.6  -17.9                           
   66   66   S     >  -     0   0   14      1,-0.2     4,-1.2   -13,-0.0     5,-0.1  -0.797  16.5-132.7-110.5 154.0   97.2   43.8  -19.6                           
   67   67   S  H  > S+     0   0  111     -2,-0.3     4,-2.6     2,-0.1    -1,-0.2   0.932 113.9  53.3 -59.2 -39.6   98.7   47.2  -19.1                           
   68   68   A  H  > S+     0   0   35      1,-0.2     4,-2.3     2,-0.2     5,-0.2   0.871 106.6  43.2 -62.5 -44.6   95.0   47.9  -18.7                           
   69   69   C  H  > S+     0   0    2      1,-0.2     4,-2.8     2,-0.2    -1,-0.2   0.886 114.8  53.5 -67.7 -37.8   93.9   45.5  -16.1                           
   70   70   C  H  X S+     0   0   19     -4,-1.2     4,-2.5     1,-0.2    -1,-0.2   0.913 110.7  46.9 -61.2 -42.1   97.0   46.3  -14.2                           
   71   71   T  H  X S+     0   0   60     -4,-2.6     4,-2.8     2,-0.2    -2,-0.2   0.898 112.3  47.8 -60.8 -44.9   96.0   49.9  -14.4                           
   72   72   G  H  X S+     0   0    1     -4,-2.3     4,-2.5     1,-0.2    -2,-0.2   0.920 114.0  49.4 -61.0 -45.0   92.4   49.4  -13.4                           
   73   73   L  H  X S+     0   0   15     -4,-2.8     4,-1.8     1,-0.2    -1,-0.2   0.868 111.0  47.5 -65.9 -40.3   93.6   47.3  -10.5                           
   74   74   Q  H  X S+     0   0   61     -4,-2.5     4,-2.9    42,-0.4    -1,-0.2   0.883 111.6  51.1 -62.4 -42.5   96.1   49.9   -9.4                           
   75   75   Q  H  X S+     0   0   72     -4,-2.8     4,-3.5     2,-0.2     5,-0.2   0.893 108.2  54.5 -60.5 -41.3   93.4   52.7   -9.7                           
   76   76   L  H  X S+     0   0    4     -4,-2.5     4,-1.3     1,-0.2    -1,-0.2   0.856 113.4  42.3 -62.3 -41.7   91.1   50.3   -7.4                           
   77   77   A  H  < S+     0   0   32     -4,-1.8    -1,-0.2     2,-0.2    -2,-0.2   0.906 113.9  48.1 -63.4 -45.8   93.8   50.2   -5.0                           
   78   78   Q  H  < S+     0   0  129     -4,-2.9     3,-0.5     1,-0.2    -2,-0.2   0.901 110.5  53.3 -63.5 -42.0   94.7   54.0   -5.1                           
   79   79   T  H  < S+     0   0   58     -4,-3.5     2,-1.0     1,-0.3     3,-0.3   0.827 102.8  61.9 -64.7 -37.3   91.0   54.9   -4.8                           
   80   80   V     <  +     0   0   22     -4,-1.3    -1,-0.3    -5,-0.2     6,-0.1  -0.488  62.8 141.6 -84.9  67.9   91.0   52.7   -1.8                           
   81   81   K        +     0   0  200     -2,-1.0     2,-0.2    -3,-0.5    -1,-0.2   0.769  63.1  54.0 -62.3 -38.4   93.6   54.9    0.0                           
   82   82   S  S  > S-     0   0   43     -3,-0.3     4,-2.7     1,-0.1     5,-0.2  -0.638  91.8-113.2-110.1 153.4   91.7   54.3    3.4                           
   83   83   V  H  > S+     0   0  105     -2,-0.2     4,-2.5     1,-0.2     5,-0.1   0.890 117.8  49.0 -61.0 -40.6   90.7   51.0    5.1                           
   84   84   D  H  > S+     0   0  113      2,-0.2     4,-2.7     1,-0.2    -1,-0.2   0.931 110.6  50.0 -62.3 -42.2   87.0   51.6    4.6                           
   85   85   D  H  > S+     0   0   30      1,-0.2     4,-2.5     2,-0.2    -2,-0.2   0.905 111.8  51.5 -60.3 -38.7   87.5   52.4    0.9                           
   86   86   K  H  X S+     0   0  119     -4,-2.7     4,-3.3     1,-0.2    -2,-0.2   0.877 108.1  51.0 -61.9 -40.3   89.5   49.2    0.8                           
   87   87   K  H  X S+     0   0  113     -4,-2.5     4,-2.8     2,-0.2    -1,-0.2   0.911 108.2  50.0 -62.6 -42.9   86.7   47.4    2.3                           
   88   88   A  H  X S+     0   0    8     -4,-2.7     4,-2.7     1,-0.2    -2,-0.2   0.955 116.5  43.7 -60.6 -46.8   84.2   48.6   -0.1                           
   89   89   I  H  X S+     0   0    6     -4,-2.5     4,-3.2     2,-0.2     5,-0.3   0.902 112.0  49.4 -66.5 -42.3   86.5   47.6   -2.9                           
   90   90   C  H  X S+     0   0   48     -4,-3.3     4,-3.0     1,-0.2    -1,-0.2   0.931 115.1  47.3 -63.1 -42.6   87.4   44.2   -1.5                           
   91   91   R  H  X S+     0   0  164     -4,-2.8     4,-2.6    -5,-0.2    -2,-0.2   0.899 112.0  48.2 -63.5 -43.2   83.7   43.6   -1.0                           
   92   92   C  H  X S+     0   0   14     -4,-2.7     4,-2.2     1,-0.2    -2,-0.2   0.934 116.2  45.5 -62.1 -44.7   82.7   44.8   -4.6                           
   93   93   L  H  X S+     0   0   23     -4,-3.2     4,-2.8     2,-0.2    -2,-0.2   0.886 111.1  51.0 -67.8 -39.8   85.5   42.6   -6.0                           
   94   94   K  H  X S+     0   0  147     -4,-3.0     4,-3.6    -5,-0.3    -1,-0.2   0.936 111.1  50.9 -62.1 -39.8   84.6   39.6   -3.9                           
   95   95   A  H  X S+     0   0   58     -4,-2.6     4,-1.7     2,-0.2    -2,-0.2   0.904 111.2  45.2 -62.3 -42.1   81.1   40.1   -5.1                           
   96   96   S  H  X S+     0   0    5     -4,-2.2     4,-2.0     1,-0.2    -1,-0.2   0.916 117.7  47.0 -62.9 -42.5   82.2   40.3   -8.8                           
   97   97   S  H  <>S+     0   0   15     -4,-2.8     5,-0.9     2,-0.2    -2,-0.2   0.857 107.2  56.7 -66.6 -36.1   84.4   37.2   -8.0                           
   98   98   K  H  <5S+     0   0  186     -4,-3.6    -1,-0.2     1,-0.2    -2,-0.2   0.896 108.1  46.3 -62.1 -43.9   81.5   35.4   -6.2                           
   99   99   S  H  <5S+     0   0   65     -4,-1.7    -1,-0.2    -5,-0.2    -2,-0.2   0.884 114.0  69.4 -63.6 -43.0   79.3   35.6   -9.3                           
  100  100   L  T  <5S-     0   0   28     -4,-2.0     2,-0.1    -5,-0.2   -45,-0.0  -0.379  83.2-131.5 -71.5 152.5   82.4   34.4  -11.1                           
  101  101   G  T   5 +     0   0  101     -2,-0.1     2,-0.2     2,-0.0    -3,-0.1  -0.524  55.4 162.6 -81.1  55.6   84.1   31.1  -11.2                           
  102  102   I      < -     0   0   20     -5,-0.9     2,-0.4    -2,-0.1   -47,-0.0  -0.521  40.8-123.5 -65.1 140.1   87.1   33.3  -10.7                           
  103  103   K     >  -     0   0  119     -2,-0.2     4,-2.5     1,-0.1     5,-0.2  -0.761   5.3-140.5 -85.0 137.7   90.0   31.4   -9.4                           
  104  104   D  H  > S+     0   0  139     -2,-0.4     4,-2.9     1,-0.2     5,-0.2   0.877 104.8  60.3 -62.0 -38.3   91.5   32.8   -6.1                           
  105  105   Q  H  > S+     0   0  123      1,-0.2     4,-2.6     2,-0.2    -1,-0.2   0.926 110.2  40.1 -60.0 -46.0   94.9   32.1   -7.7                           
  106  106   F  H  > S+     0   0   12      2,-0.2     4,-1.9     1,-0.2    -1,-0.2   0.897 112.2  49.2 -77.7 -39.6   94.2   34.4  -10.4                           
  107  107   L  H  < S+     0   0   35     -4,-2.5    -1,-0.2     1,-0.2    -2,-0.2   0.922 117.9  45.6 -65.4 -39.1   92.5   37.2   -8.8                           
  108  108   S  H  X S+     0   0   71     -4,-2.9     4,-2.2    -5,-0.2    -2,-0.2   0.904 110.5  53.9 -66.8 -37.5   95.4   37.1   -6.3                           
  109  109   K  H  X S+     0   0   71     -4,-2.6     4,-2.4    -5,-0.2    -2,-0.2   0.881  99.5  57.8 -62.5 -40.6   98.1   36.9   -8.9                           
  110  110   I  H  X S+     0   0    1     -4,-1.9     4,-3.6     1,-0.2    -1,-0.2   0.880 110.8  45.3 -56.0 -47.7   97.1   39.8  -10.9                           
  111  111   P  H  >>S+     0   0   51      0, 0.0     4,-1.0     0, 0.0     5,-0.8   0.929 109.0  57.0 -59.6 -46.6   97.6   42.0   -7.7                           
  112  112   A  H  <5S+     0   0   82     -4,-2.2    -2,-0.2     1,-0.2    -3,-0.2   0.886 121.1  29.9 -57.4 -39.2  100.9   40.2   -6.9                           
  113  113   A  H  <5S+     0   0   51     -4,-2.4    -1,-0.2    -5,-0.2    -3,-0.2   0.939 105.8  61.9 -82.0 -49.3  102.0   41.3  -10.3                           
  114  114   C  H  <5S-     0   0   10     -4,-3.6    -2,-0.1    -5,-0.2    -1,-0.1   0.580 102.6-118.4 -74.5  -6.4  100.5   44.5  -11.4                           
  115  115   N  T  <5       0   0  126     -4,-1.0    -1,-0.2    -5,-0.2    -3,-0.1   0.759 360.0 360.0  73.9  41.9  102.2   46.3   -8.3                           
  116  116   I      <       0   0   92     -5,-0.8   -42,-0.4    -6,-0.2   -43,-0.2  -0.549 360.0 360.0 137.4 360.0   98.8   47.3   -6.8