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                                                                                                                         .
  134  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  7753.5   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
   85 63.4   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                              .
    2  1.5   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  0.7   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                              .
    7  5.2   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    4  3.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
   66 49.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    3  2.2   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  0  2  1  0  0  0  0  0  1  0  0  1  0  0  0  0  0  0  0  0  0  0  1  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      .
  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    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   A              0   0   42      0, 0.0     2,-0.2     0, 0.0    45,-0.1   0.000 360.0 360.0 360.0 172.5   26.8   10.2    5.7                           
    2    2   S        -     0   0  107      1,-0.1     2,-0.7    43,-0.1     3,-0.2  -0.522 360.0-110.4 -60.4 139.3   29.3   12.3    7.7                           
    3    3   E        +     0   0  109      1,-0.2    -1,-0.1    -2,-0.2    39,-0.1  -0.652  56.6 159.5-105.5 117.7   32.3   11.2    6.0                           
    4    4   I  S    S+     0   0  136     -2,-0.7     2,-0.2    37,-0.1    -1,-0.2   0.922  83.5  63.7 -63.8 -45.9   35.2    9.1    7.1                           
    5    5   V  S    S-     0   0   13     -3,-0.2     0, 0.0     2,-0.1     0, 0.0  -0.486  80.3-135.6 -79.8 145.1   35.8    8.7    3.4                           
    6    6   N  S    S+     0   0  157     -2,-0.2     2,-0.7     2,-0.0    -3,-0.1   0.723  79.1  71.3 -68.7 -41.0   36.7   11.4    0.6                           
    7    7   G        +     0   0   16      1,-0.2    35,-1.2     2,-0.1    36,-0.3  -0.813  42.2 150.4 -99.6 111.1   34.4   10.7   -2.3                           
    8    8   A  S  > S+     0   0   31     -2,-0.7     4,-2.2     3,-0.1    -1,-0.2   0.794  76.4  41.3-103.0 -48.5   30.8   11.5   -2.0                           
    9    9   S  H  > S+     0   0  101      1,-0.2     4,-1.7     2,-0.2     5,-0.1   0.907 120.2  46.3 -63.7 -38.5   29.6   12.3   -5.4                           
   10   10   E  H  > S+     0   0  125      1,-0.2     4,-2.4     2,-0.2    -1,-0.2   0.888 110.8  51.8 -62.6 -41.5   31.5    9.5   -6.9                           
   11   11   Q  H  > S+     0   0    8      2,-0.2     4,-3.3     1,-0.2    29,-0.2   0.878 106.6  53.6 -64.7 -38.3   30.5    7.1   -4.4                           
   12   12   C  H  < S+     0   0   13     -4,-2.2    -1,-0.2     2,-0.3    -2,-0.2   0.897 108.2  48.5 -62.6 -41.4   26.8    7.9   -4.9                           
   13   13   A  H  < S+     0   0   25     -4,-1.7    -1,-0.3     1,-0.2    -2,-0.2   0.914 116.1  48.2 -60.0 -44.3   27.1    7.3   -8.5                           
   14   14   K  H  < S+     0   0   82     -4,-2.4    -2,-0.3    -5,-0.1    -1,-0.2   0.810 115.0  43.8 -66.2 -36.2   28.9    4.0   -7.4                           
   15   15   G     <  -     0   0    0     -4,-3.3     3,-0.2     1,-0.2   114,-0.1  -0.256  64.0-144.4 -78.8 177.6   26.4    2.9   -4.9                           
   16   16   C  S    S-     0   0    2    113,-0.1    62,-0.2    27,-0.1    -1,-0.2   0.499  83.4 -79.7 -84.5 -49.9   22.9    2.8   -4.8                           
   17   17   S  S    S+     0   0    2     -3,-0.1    29,-0.1    60,-0.1    28,-0.1  -0.228 106.6 100.8-126.7 -70.7   23.8    3.6   -1.3                           
   18   18   I        -     0   0    6     -3,-0.2    29,-0.4    54,-0.1    30,-0.2   0.631  66.5-139.3  61.2-175.4   24.7    0.2   -0.3                           
   19   19   F        -     0   0    5     28,-0.1     7,-0.2    27,-0.1     5,-0.2   0.075  43.7-121.1 174.6  18.7   27.6   -2.0    0.2                           
   20   20   C    >   -     0   0    2     99,-0.2     3,-0.8    17,-0.1     4,-0.3   0.540  26.6-158.0 -43.4 120.7   26.3   -5.2   -1.3                           
   21   21   T  T 3>  +     0   0   27      1,-0.3     4,-0.9     2,-0.2     3,-0.4   0.415  66.7  90.4 -75.4 -20.1   26.6   -7.7    1.5                           
   22   22   K  T 34 S+     0   0  128      1,-0.3    -1,-0.3     2,-0.1    -2,-0.1   0.768 107.6  17.2 -63.9 -33.1   26.6  -11.1   -0.1                           
   23   23   S  T <4 S+     0   0   72     -3,-0.8    -1,-0.3    14,-0.2    -2,-0.2   0.512 116.4  59.8 -99.8 -16.7   30.5  -11.1   -0.3                           
   24   24   Y  T  4  -     0   0   22     -3,-0.4    -2,-0.1    -4,-0.3    10,-0.1   0.925  60.8-159.4-106.0 -40.9   32.0   -8.4    2.0                           
   25   25   V     <  -     0   0  103     -4,-0.9     8,-0.1     1,-0.1     9,-0.1   0.949  29.0-156.9  43.2  57.7   31.0   -8.9    5.8                           
   26   26   V        -     0   0   23     -7,-0.2    -1,-0.1     7,-0.2    -2,-0.0  -0.361  10.0-149.2 -47.5 124.0   31.9   -5.1    6.5                           
   27   27   P        -     0   0   60      0, 0.0     7,-0.2     0, 0.0     6,-0.1  -0.773  56.3 -76.4 -74.9 158.4   32.6   -4.5   10.0                           
   28   28   P  S    S-     0   0   81      0, 0.0    24,-0.1     0, 0.0    25,-0.1   0.654 116.8 -10.8 -51.0 -30.3   31.4   -1.0   10.5                           
   29   29   G  S    S+     0   0   45     19,-0.1    -3,-0.0    20,-0.0    16,-0.0  -0.646  75.6 119.6-141.9 125.6   34.6    0.0    8.6                           
   30   30   P        -     0   0   82      0, 0.0     2,-3.9     0, 0.0    -4,-0.0  -0.045  53.3-167.5 -80.0   2.8   37.4   -1.9    7.7                           
   31   31   P     >> +     0   0   28      0, 0.0     4,-3.5     0, 0.0     5,-0.6   0.106  67.4  93.3  21.7 -15.1   36.0   -0.6    4.4                           
   32   32   K  H  >5S+     0   0  175     -2,-3.9     4,-1.9     1,-0.3     5,-0.2   0.967  94.7  34.7 -60.2 -47.2   38.4   -3.1    2.8                           
   33   33   L  H  >5S+     0   0   71      2,-0.2     4,-3.1     3,-0.2    -1,-0.3   0.952 122.3  42.5 -57.9 -49.1   35.6   -5.4    2.8                           
   34   34   L  H  >5S+     0   0    0      1,-0.2     4,-0.9    -7,-0.2    -2,-0.2   0.872 116.2  50.4 -82.7 -27.7   32.7   -3.1    2.2                           
   35   35   M  H  <5S+     0   0   59     -4,-3.5    -1,-0.2     2,-0.1    -3,-0.2   0.813 121.7  32.6 -62.7 -42.7   34.6   -1.1   -0.6                           
   36   36   K  H  <>  -     0   0   46    -29,-0.2     4,-2.6    -4,-0.1     3,-0.6  -0.602  37.4  -7.1-132.0 170.7   32.8    1.9   -1.8                           
   41   41   I  H 3> S+     0   0   32      2,-0.2     4,-3.0     1,-0.2     3,-0.2   0.255 120.9   1.3  50.4-134.9   33.6    4.9    0.3                           
   42   42   L  H 3> S+     0   0    8    -35,-1.2     4,-3.9     1,-0.2    -1,-0.2   0.851 130.3  62.7 -67.0 -27.3   30.6    7.1    1.5                           
   43   43   S  H <> S+     0   0    0     -3,-0.6     4,-1.8   -36,-0.3    -1,-0.2   0.944 111.8  35.0 -58.6 -45.6   28.3    4.7   -0.2                           
   44   44   L  H  X S+     0   0    1     -4,-2.6     4,-3.8     2,-0.2     5,-0.4   0.816 115.8  56.9 -77.5 -29.6   29.5    2.0    2.0                           
   45   45   L  H  X S+     0   0    8     -4,-3.0     4,-4.2    -5,-0.3     5,-0.3   0.965 106.4  52.7 -64.2 -43.3   29.8    4.6    5.0                           
   46   46   I  H  X S+     0   0    6     -4,-3.9     4,-3.4     1,-0.2     5,-0.3   0.929 119.8  31.1 -59.5 -52.0   26.1    5.4    4.5                           
   47   47   M  H  X S+     0   0    6     -4,-1.8     4,-3.4   -29,-0.4     5,-0.3   0.938 122.7  46.2 -75.1 -41.9   24.9    2.0    4.7                           
   48   48   S  H  X S+     0   0    4     -4,-3.8     4,-4.1   -30,-0.2     5,-0.4   0.916 121.4  42.8 -65.5 -38.2   27.5    0.7    7.0                           
   49   49   L  H  X>S+     0   0   35     -4,-4.2     4,-2.7    -5,-0.4     5,-0.9   0.954 115.4  45.7 -70.0 -53.8   26.8    3.9    9.1                           
   50   50   V  H  X5S+     0   0   18     -4,-3.4     4,-0.5    -5,-0.3    -2,-0.2   0.898 123.4  39.0 -66.4 -37.8   23.0    3.9    8.8                           
   51   51   M  H  X5S+     0   0   21     -4,-3.4     4,-0.7    -5,-0.3    -2,-0.2   0.960 129.3  28.1 -77.0 -44.9   23.1    0.1    9.6                           
   52   52   A  H  X5S+     0   0   20     -4,-4.1     4,-2.6    -5,-0.3     3,-0.2   0.891 121.1  48.4 -87.0 -40.6   25.9    0.1   12.3                           
   53   53   Q  H  X5S+     0   0   95     -4,-2.7     4,-2.5    -5,-0.4    -3,-0.2   0.919 114.6  54.2 -61.2 -42.8   25.6    3.6   13.8                           
   54   54   V  H  <  -     0   0   30     23,-0.1     4,-3.8     1,-0.1     5,-0.2  -0.930  69.1 -76.1-166.9-179.4    6.8    0.8    8.9                           
   65   65   N  H  > S+     0   0  102     -2,-0.3     4,-3.5     2,-0.2     5,-0.2   0.885 133.0  53.3 -63.3 -40.0    8.8   -1.9    7.1                           
   66   66   Q  H  > S+     0   0  167      1,-0.2     4,-2.1     2,-0.2     5,-0.2   0.969 114.8  42.0 -60.6 -42.2    7.0   -0.6    4.0                           
   67   67   A  H  > S+     0   0   14      2,-0.2     4,-2.8     1,-0.2    -2,-0.2   0.936 112.1  51.0 -63.7 -40.9    8.3    2.9    5.0                           
   68   68   R  H  X S+     0   0   33     -4,-3.8     4,-2.8     1,-0.2     5,-0.2   0.927 112.3  53.3 -63.4 -36.4   11.8    1.6    6.1                           
   69   69   N  H  X S+     0   0   55     -4,-3.5     4,-3.0     2,-0.2     5,-0.4   0.885 103.3  51.9 -60.0 -41.1   11.6    0.1    2.5                           
   70   70   G  H  X S+     0   0   22     -4,-2.1     4,-3.6     1,-0.2     5,-0.4   0.941 113.6  48.3 -58.3 -43.7   10.8    3.4    0.8                           
   71   71   Y  H  X S+     0   0   14     -4,-2.8     4,-2.7     2,-0.2    -2,-0.2   0.949 112.2  44.0 -65.0 -46.8   13.8    4.6    2.5                           
   72   72   S  H  X S+     0   0   22     -4,-2.8     4,-1.5     1,-0.2    -2,-0.2   0.941 125.6  36.5 -62.7 -44.2   16.2    1.7    1.6                           
   73   73   V  H  X S+     0   0   52     -4,-3.0     4,-1.7    -5,-0.2    -2,-0.2   0.899 115.8  50.8 -81.8 -35.3   15.0    1.8   -2.0                           
   74   74   C  H  X>S+     0   0   23     -4,-3.6     5,-0.7    -5,-0.4     4,-0.6   0.917 111.7  52.3 -67.6 -37.2   14.4    5.6   -2.4                           
   75   75   R  H ><5S+     0   0    8     -4,-2.7     3,-1.1    -5,-0.4    -1,-0.2   0.910 104.4  51.4 -64.3 -40.5   17.9    6.1   -1.2                           
   76   76   I  H 3<5S+     0   0    9     -4,-1.5    -1,-0.2     1,-0.3    -2,-0.2   0.868 106.1  56.4 -62.9 -34.7   19.5    3.8   -3.5                           
   77   77   R  H 3<5S-     0   0  176     -4,-1.7    -1,-0.3    -5,-0.1    -2,-0.2   0.546 125.8-107.2 -79.7  -4.5   17.7    5.6   -6.2                           
   78   78   F  T <<5S+     0   0  120     -3,-1.1    -3,-0.2    -4,-0.6    -4,-0.1  -0.385  70.8 134.9 139.1 -31.7   19.4    8.7   -4.9                           
   79   79   S      < +     0   0   28     -5,-0.7    -1,-0.3     1,-0.1    -2,-0.1  -0.008  16.6 167.4 -59.1 144.7   16.9   11.0   -3.0                           
   80   80   K  S  > S+     0   0   71      3,-0.1     4,-2.5     2,-0.0     5,-0.2   0.728  76.8  30.1-120.8 -65.2   18.0   12.3    0.3                           
   81   81   G  H  > S+     0   0   45      1,-0.2     4,-2.3     2,-0.2     5,-0.1   0.915 125.8  47.4 -62.8 -41.6   15.7   15.1    1.4                           
   82   82   R  H  > S+     0   0  119      2,-0.2     4,-2.1     1,-0.2    -1,-0.2   0.907 112.1  48.4 -64.9 -40.4   12.8   13.4   -0.4                           
   83   83   C  H  > S+     0   0    1      2,-0.2     4,-2.9     1,-0.2     5,-0.4   0.875 111.7  51.6 -64.9 -38.4   13.6    9.9    1.1                           
   84   84   M  H  X S+     0   0   52     -4,-2.5     4,-2.7     2,-0.2    -1,-0.2   0.935 110.0  49.7 -60.3 -46.2   13.9   11.6    4.5                           
   85   85   Q  H  < S+     0   0  158     -4,-2.3    -2,-0.2     1,-0.2    -1,-0.2   0.871 116.1  43.1 -62.2 -41.3   10.4   13.2    3.9                           
   86   86   V  H  < S+     0   0   74     -4,-2.1    -2,-0.2     1,-0.1    -1,-0.2   0.931 121.5  33.9 -67.7 -51.3    8.9    9.9    2.9                           
   87   87   S  H  < S-     0   0    1     -4,-2.9    -2,-0.2     1,-0.1    -3,-0.2   0.974  94.3-135.1 -67.2 -45.8   10.3    7.5    5.5                           
   88   88   G    ><  +     0   0   27     -4,-2.7     3,-0.8    -5,-0.4     4,-0.3  -0.425  62.1 147.8  99.6 -45.0   10.2   10.2    8.2                           
   89   89   C  B 3   +A   61   0A   4    -28,-1.0   -28,-2.5     1,-0.2    -5,-0.1   0.079  39.7  14.1  74.0-112.1   13.5    8.7    8.6                           
   90   90   Q  T 3  S+     0   0   58    -30,-0.2    -1,-0.2     1,-0.1   -30,-0.1   0.490  92.5  87.1 -98.0  -9.1   16.7   10.4    9.7                           
   91   91   N  S <  S+     0   0  112     -3,-0.8     2,-0.3    -7,-0.2    -1,-0.1   0.929  76.5  51.3 -72.8 -47.3   15.9   13.7   11.2                           
   92   92   S  S    S-     0   0   53     -4,-0.3   -31,-0.1   -33,-0.2    -1,-0.0  -0.661  77.4-129.2-100.7 133.5   15.1   13.5   14.8                           
   93   93   D  S    S+     0   0  109     -2,-0.3     2,-0.3   -33,-0.0    -1,-0.1   0.880  90.4  39.0 -61.9 -39.0   17.5   11.7   17.0                           
   94   94   T        -     0   0  105    -35,-0.1   -35,-0.1   -37,-0.0    -2,-0.1  -0.739  65.1-173.8-103.0 162.7   14.9    9.5   18.7                           
   95   95   C        -     0   0   26     -2,-0.3   -35,-0.1   -37,-0.2   -34,-0.1  -0.896  37.3 -86.7-140.1 160.1   11.8    7.7   17.1                           
   96   96   P     >  -     0   0   60      0, 0.0     4,-2.1     0, 0.0   -34,-0.2  -0.276  29.8-122.1 -63.6 157.8    9.0    5.6   18.8                           
   97   97   R  H  > S+     0   0  232      2,-0.2     4,-1.4     1,-0.2     5,-0.5   0.838 120.8  63.3 -60.7 -39.0    9.6    2.0   19.3                           
   98   98   G  H  4 S+     0   0   63      1,-0.2    -1,-0.2     2,-0.2   -37,-0.0   0.835 111.3  34.0 -57.0 -41.2    6.5    2.0   17.2                           
   99   99   W  H  4 S+     0   0  108      1,-0.1   -37,-1.1     2,-0.1    -2,-0.2   0.701  99.1  75.4 -78.2 -25.3    8.6    3.6   14.4                           
  100  100   V  H  < S-     0   0   27     -4,-2.1    -2,-0.2     1,-0.2    -3,-0.2   0.884  92.2-147.9 -58.9 -32.0   11.9    1.8   15.3                           
  101  101   N     <  -     0   0   31     -4,-1.4    -1,-0.2    -5,-0.1     3,-0.1   0.506  59.2 -63.8  78.1  11.6    9.8   -1.0   13.5                           
  102  102   A        -     0   0   38     -5,-0.5     2,-1.4     1,-0.2     3,-0.2   0.937  42.4-153.1  90.6 104.5   11.7   -3.1   15.9                           
  103  103   I        +     0   0   65      1,-0.2    -1,-0.2     4,-0.1     3,-0.1  -0.851  41.1 154.0 -86.6  82.4   15.4   -3.6   15.9                           
  104  104   L        -     0   0  107     -2,-1.4     2,-0.2     1,-0.2    -1,-0.2   0.875  58.6-120.0 -64.0 -41.5   14.8   -6.8   17.4                           
  105  105   E  S  > S+     0   0  150     -3,-0.2     4,-2.2     0, 0.0     5,-0.2  -0.858 119.7  57.1  76.6 -71.4   18.0   -8.7   16.3                           
  106  106   N  H  > S+     0   0  125      1,-0.2     4,-1.9     2,-0.2     5,-0.1   0.938 105.6  49.1 -58.3 -35.5   15.5  -11.1   14.6                           
  107  107   S  H  > S+     0   0   19      1,-0.2     4,-2.7     2,-0.2    -1,-0.2   0.892 108.3  56.0 -62.0 -39.7   14.0   -8.0   12.7                           
  108  108   A  H  > S+     0   0   18      1,-0.2     4,-2.3     2,-0.2    -1,-0.2   0.895 105.5  50.0 -59.1 -39.5   17.6   -7.1   11.7                           
  109  109   D  H  X S+     0   0   92     -4,-2.2     4,-1.7     2,-0.2    -1,-0.2   0.893 109.6  49.2 -63.6 -41.8   18.1  -10.5   10.3                           
  110  110   A  H  X S+     0   0   63     -4,-1.9     4,-2.1     1,-0.2    -1,-0.2   0.876 109.8  53.8 -63.1 -38.6   14.9  -10.2    8.2                           
  111  111   T  H  X S+     0   0   19     -4,-2.7     4,-3.2     2,-0.2    -2,-0.2   0.890 105.0  56.0 -61.2 -40.2   16.2   -6.7    7.1                           
  112  112   N  H  X S+     0   0   54     -4,-2.3     4,-2.6     2,-0.2    -1,-0.2   0.886 105.3  48.6 -59.2 -42.0   19.4   -8.4    6.0                           
  113  113   E  H  X S+     0   0  114     -4,-1.7     4,-2.2     2,-0.2    -1,-0.2   0.895 113.1  48.3 -62.6 -42.7   17.6  -10.7    3.8                           
  114  114   H  H  X S+     0   0   62     -4,-2.1     4,-3.5     1,-0.2    -2,-0.2   0.914 111.4  53.1 -61.1 -42.1   15.7   -7.7    2.4                           
  115  115   C  H  X S+     0   0   13     -4,-3.2     4,-6.1     2,-0.2     7,-0.2   0.900 105.6  50.0 -62.5 -43.3   19.0   -6.1    2.0                           
  116  116   K  H  X S+     0   0   74     -4,-2.6     4,-2.5     2,-0.3    -1,-0.2   0.914 114.5  45.3 -59.1 -44.9   20.5   -8.9    0.1                           
  117  117   L  H  X S+     0   0  124     -4,-2.2     4,-2.7     1,-0.2    -2,-0.2   0.939 123.6  39.2 -62.5 -45.6   17.5   -8.8   -2.2                           
  118  118   G  H  X S+     0   0    9     -4,-3.5     4,-3.6     2,-0.2    -2,-0.3   0.851 106.9  59.5 -67.8 -37.6   18.1   -5.2   -2.1                           
  119  119   C  H  X S+     0   0    0     -4,-6.1     4,-2.3     1,-0.2    -3,-0.2   0.959 115.3  40.6 -59.4 -45.3   21.9   -5.3   -2.2                           
  120  120   E  H  X S+     0   0   68     -4,-2.5     4,-2.2     2,-0.3    -2,-0.2   0.864 112.1  50.3 -68.8 -42.9   21.4   -7.1   -5.6                           
  121  121   T  H  X S+     0   0   68     -4,-2.7     4,-2.8     1,-0.2    -1,-0.2   0.922 115.0  52.5 -60.4 -36.7   18.5   -5.0   -6.8                           
  122  122   S  H  X S+     0   0    2     -4,-3.6     4,-3.2    -7,-0.2    -2,-0.3   0.886 103.6  50.3 -64.6 -42.4   21.0   -2.3   -5.8                           
  123  123   V  H  X S+     0   0   32     -4,-2.3     4,-2.0     2,-0.2    -1,-0.2   0.931 114.6  45.9 -59.2 -43.9   23.9   -3.6   -7.8                           
  124  124   C  H  X S+     0   0   79     -4,-2.2     4,-1.8     1,-0.2    -2,-0.2   0.918 115.1  49.1 -64.9 -42.7   21.5   -3.7  -10.8                           
  125  125   G  H  X S+     0   0   12     -4,-2.8     4,-3.4     2,-0.2    -2,-0.2   0.825 108.0  54.4 -61.3 -35.5   20.4   -0.2   -9.7                           
  126  126   A  H  X S+     0   0    1     -4,-3.2     4,-3.2     2,-0.3    -2,-0.2   0.880 104.7  50.2 -60.9 -44.9   24.0    0.9   -9.5                           
  127  127   M  H  X S+     0   0   92     -4,-2.0     4,-2.0     2,-0.2    -1,-0.2   0.900 116.4  45.9 -62.3 -42.8   24.8   -0.1  -12.9                           
  128  128   N  H  X S+     0   0   81     -4,-1.8     4,-2.7     2,-0.2    -2,-0.3   0.882 112.5  48.1 -64.7 -41.5   21.5    2.0  -13.8                           
  129  129   T  H  X S+     0   0   24     -4,-3.4     4,-3.8     2,-0.2    -2,-0.2   0.887 110.1  52.4 -65.6 -38.5   22.4    4.9  -11.7                           
  130  130   L  H  < S+     0   0   60     -4,-3.2    -2,-0.2     2,-0.2    -1,-0.2   0.914 113.5  45.8 -63.5 -38.3   25.9    4.9  -13.2                           
  131  131   Q  H  < S+     0   0  123     -4,-2.0     3,-0.5     1,-0.2    -2,-0.2   0.909 114.7  44.4 -62.5 -44.0   24.1    4.9  -16.6                           
  132  132   N  H  < S+     0   0  135     -4,-2.7     2,-1.1     1,-0.3    -2,-0.2   0.880 110.1  63.1 -63.4 -42.7   21.8    7.6  -15.5                           
  133  133   S     <        0   0   60     -4,-3.8    -1,-0.3    -5,-0.1    -4,-0.1  -0.697 360.0 360.0 -96.9  73.3   24.8    9.4  -14.0                           
  134  134   D              0   0  169     -2,-1.1     0, 0.0    -3,-0.5     0, 0.0  -0.502 360.0 360.0-170.5 360.0   26.7    9.9  -17.1