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                                                                                                                         .
  118  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  6034.5   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   64 54.2   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                              .
    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                              .
   10  8.5   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
   10  8.5   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   40 33.9   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  1  0  1  0  1  0  0  0  1  0  0  0  1  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  215      0, 0.0     4,-2.1     0, 0.0     5,-0.2   0.000 360.0 360.0 360.0 -45.3   -8.2   -7.8  -21.1                           
    2    2   A  H  >  +     0   0   67      1,-0.2     4,-2.9     2,-0.2     5,-0.1   0.849 360.0  53.7 -60.9 -40.2  -10.2   -8.0  -17.8                           
    3    3   C  H  > S+     0   0   41      1,-0.2     4,-2.6     2,-0.2    -1,-0.2   0.897 110.4  49.9 -60.3 -40.8   -8.3   -4.9  -16.4                           
    4    4   C  H  > S+     0   0   41      2,-0.2     4,-2.7     1,-0.2    -2,-0.2   0.914 110.7  47.6 -61.8 -44.9   -9.4   -3.1  -19.6                           
    5    5   T  H  X S+     0   0   59     -4,-2.1     4,-2.5     1,-0.2    -2,-0.2   0.920 113.6  48.7 -62.7 -44.8  -13.0   -4.1  -19.3                           
    6    6   G  H  X S+     0   0    2     -4,-2.9     4,-2.8     1,-0.2    -2,-0.2   0.904 111.3  47.3 -64.3 -42.7  -13.0   -3.1  -15.7                           
    7    7   V  H  X S+     0   0    4     -4,-2.6     4,-2.9     2,-0.2    -1,-0.2   0.879 112.0  51.5 -64.3 -39.6  -11.5    0.3  -16.4                           
    8    8   N  H  X S+     0   0   57     -4,-2.7     4,-2.2     2,-0.2    -2,-0.2   0.909 110.8  49.0 -62.9 -40.9  -14.0    0.9  -19.3                           
    9    9   N  H  X S+     0   0   44     -4,-2.5     4,-2.8     2,-0.2    -2,-0.2   0.912 111.8  49.2 -62.7 -44.0  -16.9   -0.0  -16.9                           
   10   10   L  H  X S+     0   0    3     -4,-2.8     4,-4.0     2,-0.2    -2,-0.2   0.896 108.8  51.7 -60.6 -41.6  -15.4    2.4  -14.3                           
   11   11   N  H  X S+     0   0   10     -4,-2.9     4,-1.6     2,-0.2    -2,-0.2   0.929 112.1  47.9 -56.1 -45.9  -15.1    5.2  -16.9                           
   12   12   N  H  < S+     0   0  103     -4,-2.2    -2,-0.2     1,-0.2    -1,-0.2   0.879 118.7  39.5 -62.3 -43.9  -18.8    4.5  -17.8                           
   13   13   S  H >< S+     0   0   15     -4,-2.8     3,-0.8     1,-0.2    -2,-0.2   0.870 110.8  61.4 -67.7 -39.7  -19.8    4.6  -14.2                           
   14   14   R  H >< S+     0   0    3     -4,-4.0     3,-0.8     1,-0.2     6,-0.7   0.775  80.9  78.1 -59.2 -38.7  -17.5    7.4  -13.4                           
   15   15   K  T 3<  +     0   0  105     -4,-1.6    -1,-0.2     1,-0.2    -2,-0.1   0.597  69.9  84.8 -55.0 -21.9  -18.9   10.2  -15.6                           
   16   16   T  T <  S-     0   0   83     -3,-0.8     2,-1.2    -4,-0.2    -1,-0.2   0.372  95.1-122.8 -62.1  -3.4  -22.0   11.1  -13.3                           
   17   17   K  S <> S+     0   0  161     -3,-0.8     4,-1.9     1,-0.2    -1,-0.2  -0.641 108.4  45.8  75.2 -68.7  -20.0   13.6  -11.0                           
   18   18   A  H  > S+     0   0   59     -2,-1.2     4,-1.9     2,-0.2    -1,-0.2   0.905 110.2  50.9 -63.4 -40.1  -21.0   11.5   -7.8                           
   19   19   D  H  > S+     0   0   26      1,-0.2     4,-2.3     2,-0.2    -1,-0.2   0.890 108.9  56.0 -61.1 -39.8  -20.3    8.2   -9.3                           
   20   20   R  H  > S+     0   0   32     -6,-0.7     4,-1.8     2,-0.2    -2,-0.2   0.847 105.3  48.0 -56.5 -44.9  -16.9    9.7  -10.2                           
   21   21   V  H  X S+     0   0    4     -4,-1.9     4,-2.4     2,-0.2    -1,-0.2   0.858 111.9  50.4 -65.6 -38.7  -16.1   10.7   -6.7                           
   22   22   A  H  X S+     0   0    3     -4,-1.9     4,-2.8     2,-0.2     5,-0.2   0.936 110.1  50.6 -65.3 -43.0  -17.0    7.2   -5.4                           
   23   23   V  H  X S+     0   0    0     -4,-2.3     4,-2.6     1,-0.2    -1,-0.2   0.909 110.8  49.4 -63.7 -41.8  -14.9    5.5   -8.1                           
   24   24   C  H  X S+     0   0    0     -4,-1.8     4,-2.2     1,-0.2    -1,-0.2   0.926 114.8  43.1 -58.5 -48.2  -11.9    7.7   -7.1                           
   25   25   N  H  X S+     0   0   19     -4,-2.4     4,-2.2     2,-0.2    -2,-0.2   0.906 113.3  52.1 -63.4 -42.7  -12.2    7.0   -3.5                           
   26   26   C  H  X S+     0   0    1     -4,-2.8     4,-2.4     1,-0.2    -2,-0.2   0.919 113.4  44.8 -63.6 -47.3  -12.8    3.3   -4.1                           
   27   27   I  H  X S+     0   0    1     -4,-2.6     4,-2.6     2,-0.2    -1,-0.2   0.850 108.3  54.1 -69.0 -36.0   -9.8    3.0   -6.2                           
   28   28   K  H  X S+     0   0   51     -4,-2.2     4,-1.6     1,-0.2    -1,-0.2   0.890 113.1  47.2 -64.6 -37.1   -7.4    5.0   -4.0                           
   29   29   E  H  X S+     0   0   28     -4,-2.2     4,-2.8    -5,-0.2    -2,-0.2   0.891 108.5  53.1 -71.0 -37.5   -8.5    2.6   -1.3                           
   30   30   L  H  X S+     0   0    0     -4,-2.4     4,-1.6     2,-0.2     5,-0.3   0.901 104.4  55.9 -60.5 -39.5   -8.0   -0.4   -3.6                           
   31   31   T  H  X S+     0   0    1     -4,-2.6     4,-3.5    25,-0.3    -2,-0.2   0.930 113.3  42.5 -59.2 -43.2   -4.4    0.8   -4.3                           
   32   32   K  H  < S+     0   0   96     -4,-1.6    -2,-0.2     2,-0.2    -1,-0.2   0.876 110.8  54.3 -62.9 -44.9   -3.9    0.7   -0.5                           
   33   33   S  H  < S+     0   0    1     -4,-2.8    -2,-0.2    53,-0.2    -1,-0.2   0.596 127.8  21.6 -78.2 -13.4   -5.7   -2.7    0.1                           
   34   34   I  H  <  -     0   0    8     -4,-1.6     2,-0.8    -5,-0.2    -2,-0.2   0.709  64.9-166.4 -97.2 -54.9   -3.4   -4.1   -2.5                           
   35   35   A     <  +     0   0   42     -4,-3.5     6,-0.2    -5,-0.3    -2,-0.1  -0.590  35.9 167.1  75.7 -57.3   -0.1   -2.1   -2.9                           
   36   36   Y        -     0   0  106     -2,-0.8    66,-0.0     1,-0.1    -5,-0.0  -0.371  67.8 -35.6  44.7-132.0   -0.3   -4.5   -5.9                           
   37   37   D     >  -     0   0   79      1,-0.1     4,-2.7    -2,-0.0    -1,-0.1  -0.980  63.8-151.4 -99.6 116.7    2.6   -2.8   -8.0                           
   38   38   P  T  4 S+     0   0   69      0, 0.0     5,-0.2     0, 0.0    -1,-0.1   0.877  92.6  49.5 -55.6 -45.8    2.3    1.0   -7.4                           
   39   39   K  T  > S+     0   0  168      1,-0.2     4,-2.0     2,-0.2     5,-0.1   0.919 114.6  44.2 -64.8 -42.0    3.8    1.9  -10.8                           
   40   40   R  H  > S+     0   0  105      2,-0.2     4,-1.0     1,-0.2    -1,-0.2   0.848 106.8  57.9 -65.0 -40.2    1.5   -0.3  -12.7                           
   41   41   M  H >< S+     0   0    3     -4,-2.7     3,-1.4    -6,-0.2     4,-0.4   0.962 108.4  48.1 -52.7 -51.8   -1.6    0.6  -10.8                           
   42   42   P  H 34 S+     0   0   43      0, 0.0     3,-0.5     0, 0.0     4,-0.5   0.898 115.6  46.5 -62.7 -39.2   -0.9    4.4  -11.9                           
   43   43   L  H 3X S+     0   0  101     -4,-2.0     4,-2.6    -5,-0.2    -2,-0.2   0.546  84.6  94.3 -85.6   1.5   -0.4    3.1  -15.5                           
   44   44   L  H  S+     0   0    9     -3,-0.5     4,-4.4    -4,-0.4    -1,-0.2   0.903 112.0  50.7 -66.2 -40.0   -5.7    3.5  -17.1                           
   46   46   T  H  4 S+     0   0  100     -4,-0.5    -1,-0.2     2,-0.2    -2,-0.2   0.906 115.7  44.7 -64.3 -39.6   -3.2    4.7  -19.7                           
   47   47   K  H  < S+     0   0  148     -4,-2.6    -2,-0.2     1,-0.1    -1,-0.2   0.901 125.8  31.5 -63.9 -45.9   -2.7    1.0  -20.6                           
   48   48   C  H  < S+     0   0   12     -4,-3.2    -2,-0.2    -5,-0.2    -3,-0.2   0.849 100.1 111.8 -77.8 -39.4   -6.4    0.3  -20.6                           
   49   49   G     <  +     0   0   29     -4,-4.4   -45,-0.0    -5,-0.2   -41,-0.0  -0.163  29.1 156.1 -56.5 128.1   -7.9    3.7  -21.7                           
   50   50   V  S    S-     0   0  145      1,-0.2    -1,-0.2   -42,-0.0    -4,-0.0   0.432 104.0 -16.3 -62.5 -42.9   -9.5    5.0  -24.5                           
   51   51   K        +     0   0  100     -6,-0.1    -1,-0.2    -3,-0.0     2,-0.2  -0.863  67.6 145.4-158.7 128.3  -10.6    7.3  -21.6                           
   52   52   P        -     0   0   19      0, 0.0    -3,-0.1     0, 0.0   -41,-0.1  -0.736  24.1-161.9-157.3 150.6  -10.6    7.4  -17.7                           
   53   53   D        +     0   0   61     -2,-0.2   -42,-0.0   -42,-0.1   -33,-0.0   0.744  59.9  70.5-111.2 -45.0  -10.1   10.6  -15.9                           
   54   54   F        -     0   0   21    -34,-0.1     2,-1.2     1,-0.1     3,-0.1  -0.806  63.2-148.5 -90.5 118.0   -9.0   10.4  -12.2                           
   55   55   P    >   +     0   0   82      0, 0.0     3,-0.5     0, 0.0     5,-0.3  -0.245  57.1 123.6 -79.8  51.7   -5.5    9.1  -11.8                           
   56   56   A  T 3   +     0   0    0     -2,-1.2   -25,-0.3     1,-0.2     7,-0.1  -0.057  31.3  99.1-119.9  24.9   -6.3    7.4   -8.4                           
   57   57   V  T 3  S+     0   0    2    -16,-0.2    -1,-0.2    -3,-0.1     2,-0.2   0.423  93.1  65.5 -66.0 -15.2   -5.4    3.8   -8.9                           
   58   58   D  S <  S-     0   0   32     -3,-0.5     3,-0.4   -17,-0.2   -27,-0.1  -0.572  96.6-120.3 -95.6 172.0   -2.7    5.5   -7.1                           
   59   59   K  S    S+     0   0   84     -2,-0.2    -3,-0.1     1,-0.2   -31,-0.0   0.372  96.9  69.3 -94.7 -12.6   -2.5    7.1   -3.7                           
   60   60   N        +     0   0  135     -5,-0.3     2,-0.6     2,-0.1    -1,-0.2   0.284  68.4 104.6 -94.6   2.3   -1.7   10.6   -4.8                           
   61   61   L        -     0   0   30     -3,-0.4     2,-1.2   -37,-0.1   -33,-0.1  -0.826  65.8-134.8-115.5 112.2   -4.7   11.8   -6.4                           
   62   62   D    >>  +     0   0   69     -2,-0.6     4,-1.1     1,-0.2     3,-0.6  -0.543  24.6 177.9 -86.2  99.3   -7.0   14.2   -4.5                           
   63   63   C  T 34 S+     0   0    7     -2,-1.2    -1,-0.2     1,-0.2   -39,-0.1   0.753  70.8  61.2 -63.5 -40.1  -10.6   13.0   -4.9                           
   64   64   S  T 34 S+     0   0   55      1,-0.2    -1,-0.2     2,-0.2    -2,-0.1   0.822 101.8  49.3 -66.5 -35.0  -12.3   15.5   -2.8                           
   65   65   K  T <4 S+     0   0  171     -3,-0.6    -1,-0.2     1,-0.2    -2,-0.2   0.861 105.1  58.7 -64.8 -42.9  -11.4   18.6   -4.9                           
   66   66   L  S  < S-     0   0   86     -4,-1.1     2,-0.2     1,-0.2    -2,-0.2   0.874 133.0 -25.1 -56.5 -41.6  -12.4   17.0   -8.0                           
   67   67   P  S    S-     0   0   17      0, 0.0     2,-0.5     0, 0.0    -1,-0.2  -0.946  77.6 -99.0-164.9 170.8  -16.0   16.5   -6.6                           
   68   68   V  S    S+     0   0  132     -2,-0.2   -47,-0.1     1,-0.1    -4,-0.1  -0.886  73.9  36.9-125.9 139.0  -17.4   16.3   -3.2                           
   69   69   M        -     0   0  103     -2,-0.5     2,-0.5     1,-0.2    -1,-0.1   0.790  38.6-177.4 102.3  96.3  -18.6   13.5   -0.8                           
   70   70   D        +     0   0   67    -49,-0.1     2,-0.3   -48,-0.1    -1,-0.2  -0.999  37.9 142.5-107.0 119.1  -16.7   10.3   -0.8                           
   71   71   C        -     0   0   26     -2,-0.5     2,-1.2     4,-0.0     3,-0.2  -0.886  68.2-110.2-158.4 150.7  -18.9    8.5    1.7                           
   72   72   I        +     0   0  117     -2,-0.3     4,-0.1     1,-0.2    -2,-0.0  -0.686  41.6 172.4 -90.3  75.0  -20.3    5.1    2.3                           
   73   73   R  S    S-     0   0  163     -2,-1.2    -1,-0.2     1,-0.3     3,-0.0   0.944  93.8 -55.8 -60.7 -41.1  -23.6    6.5    1.4                           
   74   74   I        -     0   0   87     -3,-0.2     2,-0.7    10,-0.0    -1,-0.3  -0.023  69.7-126.1-114.4  -1.4  -24.1    2.8    1.7                           
   75   75   L  S >  S+     0   0    1     -4,-0.2     3,-0.7     8,-0.0     6,-0.6  -0.711 114.9  54.6  64.5 -59.8  -21.4    2.6   -0.8                           
   76   76   W  G >  S+     0   0  121     -2,-0.7     3,-0.8     1,-0.3    -1,-0.0   0.850 106.6  49.6 -64.2 -35.6  -24.0    0.5   -2.5                           
   77   77   S  G 3  S+     0   0   28      1,-0.2    -1,-0.3     2,-0.1    -5,-0.1   0.380  87.1  78.6 -92.3   5.8  -26.4    3.4   -2.2                           
   78   78   V  G <  S-     0   0   19     -3,-0.7    -1,-0.2     4,-0.1    -2,-0.2   0.589  97.0-159.3 -56.0 -26.2  -23.6    5.5   -3.6                           
   79   79   A  S <  S+     0   0   75     -3,-0.8    -3,-0.1    -4,-0.5    -2,-0.1   0.409  74.8  86.4  59.3  20.3  -25.3    3.6   -6.4                           
   80   80   V  S    S-     0   0   22     -5,-0.3    -1,-0.3   -62,-0.1    -4,-0.1   0.444 100.9-132.6 -62.9 -39.9  -22.9    3.5   -9.1                           
   81   81   G        +     0   0    8     -6,-0.6     2,-0.2     1,-0.1    30,-0.2   0.871  42.5 156.4  77.6 102.0  -22.1    0.5   -6.9                           
   82   82   L        -     0   0    0     -7,-0.3     2,-1.1    29,-0.2    26,-0.1  -0.815  53.9 -93.7-139.0 171.3  -18.4    0.0   -5.9                           
   83   83   L        +     0   0    0     -2,-0.2     2,-0.8   -60,-0.1    25,-0.2  -0.680  40.3 179.5 -92.4  74.2  -16.1   -1.5   -3.4                           
   84   84   L        +     0   0   13     -2,-1.1     8,-0.4    24,-0.1     2,-0.3  -0.829  31.4 151.1 -65.8 122.4  -15.7    1.5   -1.2                           
   85   85   V        -     0   0    3     -2,-0.8   -56,-0.1   -59,-0.2     3,-0.1  -0.815  45.3-152.3-147.6 156.7  -13.5   -0.5    0.9                           
   86   86   S        -     0   0   57      1,-0.4     2,-0.2    -2,-0.3   -53,-0.2   0.776  68.4  -0.7 -98.0 -46.0  -10.7    0.5    3.1                           
   87   87   W  S >  S-     0   0  138    -54,-0.1     3,-0.5   -55,-0.1    -1,-0.4  -0.822 113.3 -26.3-160.9 166.1   -8.2   -2.4    3.3                           
   88   88   R  T 3  S-     0   0   91      1,-0.3    10,-0.1    -2,-0.2     9,-0.1   0.133  97.2-100.3 -59.4 119.1   -7.8   -5.9    2.2                           
   89   89   P  T 3   +     0   0    0      0, 0.0    -1,-0.3     0, 0.0    12,-0.1   0.003  68.6 151.5 -76.5 119.4  -11.2   -6.1    1.9                           
   90   90   T    <   +     0   0   75     -3,-0.5    -2,-0.1     6,-0.2     4,-0.1   0.275  69.3  95.7 -79.9   4.0  -13.2   -7.8    4.5                           
   91   91   M  S    S-     0   0   56     -4,-0.4    -6,-0.1     4,-0.2    -8,-0.1   0.461 104.7 -42.4 -83.1-156.4  -15.8   -5.3    3.2                           
   92   92   F  S    S+     0   0   54     -8,-0.4     2,-1.7     1,-0.3    -7,-0.1   0.615 116.5  90.7 -61.1 -25.0  -18.5   -5.6    0.6                           
   93   93   A  S    S-     0   0    0      1,-0.1    -1,-0.3     2,-0.1     2,-0.3  -0.765  96.4-128.5 -76.0  78.3  -16.1   -7.5   -1.4                           
   94   94   A  S    S+     0   0   76     -2,-1.7    -1,-0.1     2,-0.1    -2,-0.1   0.211  78.6  24.0  60.2 -62.8  -17.3  -10.5    0.1                           
   95   95   S  S    S-     0   0   61     -2,-0.3    -4,-0.2    -6,-0.1     6,-0.1  -0.966  92.3 -95.2-133.0 167.5  -13.8  -11.7    1.2                           
   96   96   P  S    S-     0   0   66      0, 0.0    -6,-0.2     0, 0.0    -2,-0.1   0.488  73.7-162.8 -57.3  -0.3  -10.4  -10.3    2.0                           
   97   97   T      > -     0   0   14      1,-0.1     5,-0.7    -8,-0.1     4,-0.4   0.615  35.6-175.3  38.2  77.7  -10.6  -11.5   -1.7                           
   98   98   C  T  >5S+     0   0   94      3,-0.2     4,-2.8     2,-0.1     5,-0.4   0.933  93.1  46.0 -56.1 -52.7   -7.2  -11.9   -3.1                           
   99   99   D  H  >5S+     0   0  100      1,-0.2     4,-1.3     3,-0.2     7,-0.2   0.904 124.9  25.4 -63.9 -59.0   -9.3  -12.7   -6.3                           
  100  100   T  H  >5S+     0   0   14      2,-0.2     4,-1.0     3,-0.2     5,-0.3   0.900 129.0  40.9 -62.0 -50.9  -11.8   -9.9   -6.2                           
  101  101   V  H  45S+     0   0    0     -4,-0.4    -2,-0.2     1,-0.2    -3,-0.2   0.985 122.6  42.1 -61.3 -42.9   -9.9   -7.2   -4.2                           
  102  102   Q  H  < S+     0   0    4     -5,-0.3     4,-3.7    12,-0.1     5,-0.5  -0.026  94.9  80.1-122.6  -3.6  -11.0   -3.7  -10.3                           
  106  106   A  H  > S+     0   0    6      3,-0.2     4,-3.1    -7,-0.2    -5,-0.2   0.971  95.4  48.3 -46.1 -54.2  -12.6   -7.0  -10.0                           
  107  107   P  H  4 S+     0   0    0      0, 0.0     4,-0.3     0, 0.0    -1,-0.2   0.929 122.9  27.6 -61.1 -52.9  -14.0   -5.7   -6.8                           
  108  108   C  H >> S+     0   0    0      2,-0.2     4,-2.6     1,-0.2     3,-0.9   0.891 120.5  57.5 -73.4 -39.7  -15.4   -2.2   -7.9                           
  109  109   A  H 3X S+     0   0    1     -4,-3.7     4,-2.2     1,-0.3     5,-0.2   0.914 107.9  50.2 -62.1 -40.0  -15.9   -3.6  -11.5                           
  110  110   G  H 3< S+     0   0    0     -4,-3.1    -1,-0.3    -5,-0.5    -2,-0.2   0.382 108.7  46.3 -89.6   2.8  -18.1   -6.2   -9.9                           
  111  111   F  H <4 S+     0   0   33     -3,-0.9    -1,-0.2    -4,-0.3    -2,-0.2   0.516 109.6  56.0 -91.0 -14.1  -20.2   -4.0   -8.0                           
  112  112   L  H  < S+     0   0   36     -4,-2.6    -2,-0.3    -5,-0.1    -3,-0.2   0.950 133.6  12.8 -60.7 -43.7  -20.5   -1.9  -11.0                           
  113  113   T  S  < S-     0   0   75     -4,-2.2    -3,-0.2     2,-0.2     3,-0.2   0.883 112.3-147.9 -88.8 -52.8  -21.7   -5.2  -12.5                           
  114  114   G  S    S+     0   0   32      1,-0.6     2,-0.5    -5,-0.2    -3,-0.2   0.357  74.7  98.1  89.3  12.9  -21.9   -6.3   -9.0                           
  115  115   Q  S >  S-     0   0  156      3,-0.2     3,-0.6    -6,-0.1    -1,-0.6  -0.956  78.9-144.5 -74.3 119.4  -21.2   -9.7   -9.2                           
  116  116   E  T 3  S+     0   0   30     -2,-0.5    -6,-0.4     1,-0.2    -5,-0.2   0.879  84.3  81.7 -52.5 -51.5  -17.7   -8.9   -8.2                           
  117  117   P  T 3         0   0   79      0, 0.0    -1,-0.2     0, 0.0   -12,-0.1   0.761 360.0 360.0 -58.7 -30.9  -15.5  -11.2  -10.2                           
  118  118   S    <         0   0   69     -3,-0.6    -3,-0.2    -9,-0.1    -8,-0.2  -0.730 360.0 360.0-165.7 360.0  -16.2   -8.6  -12.6